A0A087XC10_POEFO Loading...

Probable ribosome biogenesis protein RLP24

Involved in the biogenesis of the 60S ribosomal subunit. Ensures the docking of GTPBP4/NOG1 to pre-60S particles.

AlphaFold DB , UniProt , Accession A0A087XC10, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 164 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
1M88.9Confident95.8Very high214 Ų21476.7 Ų76.7100%1.05437%0.367SS*.  0134.80-164.2-178.9-139.500109P15M1-P15 HydrophobicContact CE-CB 3.55Å; M1-P15 HydrophobicContact CE-CG 3.38Å; M1-P15 HydrophobicContact CG-CG 3.5Å; M1-P15 VanDerWaalsContact CG-CG 3.5Å; M1-P15 HydrophobicContact SD-CG 3.93Å
2R92.6Very high95.9Very high155 Ų15576.8 Ų76.859%0.58538%0.378SS*.  trans-121.5131.8-176.3-177.6171175.992.26.7111E4R2-E4 WeakPolarHBondContact CD-OE1 3.41Å; R2-E4 IonicContact NE-OE1 2.75Å; R2-E4 PolarHBondContact NE-OE1 3.48Å; R2-E4 IonicContact NE-OE2 2.67Å
3I96.3Very high96Very high92 Ų9271.6 Ų71.647%0.47235%0.354SS..PPolyproline II helixtrans-87.1120.4170.9-57.4170.9000107.5P12 Y14I3-P12 HydrophobicContact CG2-CB 3.64Å; I3-Y14 HydrophobicContact CD1-CD1 4.17Å; I3-Y14 HydrophobicContact CD1-CE1 3.56Å; I3-Y14 HydrophobicContact CG1-CD1 4.06Å; I3-Y14 HydrophobicContact CG1-CE1 3.98Å
4E95.8Very high96.1Very high52 Ų5275.9 Ų75.924%0.24337%0.366CS..EExtended strand (participates in β ladder)trans-97.6157.9-178.9-67.8-67.9175.100111.3R2 P12 V13R2-E4 WeakPolarHBondContact CD-OE1 3.41Å; R2-E4 IonicContact NE-OE1 2.75Å; R2-E4 PolarHBondContact NE-OE1 3.48Å; R2-E4 IonicContact NE-OE2 2.67Å; E4-P12 CarbonylContact O-C 3.52Å; E4-V13 HydrophobicContact CB-CB 4.36Å; E4-V13 PolarHBondContact N-O 3.36Å; E4-V13 VanDerWaalsContact N-O 3.14Å; E4-V13 PolarHBondContact O-N 3.46Å
5K96.4Very high96.1Very high118 Ų11874.9 Ų74.951%0.51337%0.368SS..EExtended strand (participates in β ladder)trans-93.5131.9173.8-67.1-176.2-1791770110Y7 E72K5-Y7 PolarHBondContact O-N 3.42Å; K5-E72 WeakPolarHBondContact CE-OE1 3.4Å; K5-E72 IonicContact NZ-OE1 2.68Å; K5-E72 PolarHBondContact NZ-OE1 3.4Å; K5-E72 IonicContact NZ-OE2 3.98Å; K5-E72 PolarHBondContact NZ-OE2 3.02Å
6C97.9Very high96Very high2 Ų275.9 Ų75.91%0.01440%0.403CS..PPolyproline II helixtrans-65.7133.9173.71720000110.8F8 C9 S10 G11 V13 R30 C32C6-F8 VanDerWaalsContact C-N 3.32Å; C6-F8 PolarHBondContact O-N 3.36Å; C6-F8 PolarHBondContact SG-N 3.47Å; C6-F8 VanDerWaalsContact SG-N 3.44Å; C6-C9 HydrophobicContact CB-CB 4.41Å; C6-C9 WeakPolarHBondContact CB-SG 3.3Å; C6-C9 PolarHBondContact SG-N 3.29Å; C6-C9 PolarHBondContact SG-SG 3.04Å; C6-S10 WeakPolarHBondContact O-CA 3.21Å; C6-S10 PolarHBondContact O-N 3.1Å; C6-G11 WeakPolarHBondContact CB-O 3.48Å; C6-G11 PolarHBondContact N-O 3.1Å; C6-V13 HydrophobicContact CB-CG2 3.84Å; C6-R30 CarbonylContact C-O 3.53Å; C6-R30 WeakPolarHBondContact CA-O 3.45Å; C6-C32 HydrophobicContact CB-CB 3.74Å; C6-C32 PolarHBondContact SG-N 3.11Å
7Y97.9Very high96Very high122 Ų12279.2 Ų79.248%0.47842%0.415SS..THydrogen-bonded Turntrans-59.1-39.9179.5180-102.8000113.4K5 F29 R30 F31 F40K5-Y7 PolarHBondContact O-N 3.42Å; Y7-F29 AromaticContact CD1-CD1 3.89Å; Y7-F29 HydrophobicContact CD1-CD1 3.89Å; Y7-F29 HydrophobicContact CD1-CE1 4.46Å; Y7-F29 AromaticContact CD2-CD1 3.55Å; Y7-F29 HydrophobicContact CD2-CD1 3.55Å; Y7-F29 AromaticContact CD2-CE1 3.91Å; Y7-F29 HydrophobicContact CD2-CE1 3.91Å; Y7-F29 HydrophobicContact CE1-CD1 4.05Å; Y7-F29 HydrophobicContact CE1-CE1 4.16Å; Y7-F29 AromaticContact CE2-CD1 3.71Å; Y7-F29 HydrophobicContact CE2-CD1 3.71Å; Y7-F29 AromaticContact CE2-CE1 3.56Å; Y7-F29 HydrophobicContact CE2-CE1 3.56Å; Y7-F29 AromaticContact CG-CD1 3.63Å; Y7-F29 HydrophobicContact CG-CD1 3.63Å; Y7-F29 HydrophobicContact CG-CE1 4.33Å; Y7-F29 AromaticContact CZ-CD1 3.95Å; Y7-F29 AromaticContact CZ-CE1 3.7Å; Y7-R30 PolarHBondContact N-O 2.98Å; Y7-F31 HydrophobicContact CD1-CE1 4.13Å; Y7-F40 AromaticContact CD1-CD2 3.87Å; Y7-F40 HydrophobicContact CD1-CD2 3.87Å; Y7-F40 HydrophobicContact CD1-CE2 4Å; Y7-F40 AromaticContact CE1-CD2 3.72Å; Y7-F40 HydrophobicContact CE1-CD2 3.72Å; Y7-F40 AromaticContact CE1-CE2 3.61Å; Y7-F40 HydrophobicContact CE1-CE2 3.61Å
8F97.9Very high96Very high1 Ų177.1 Ų77.10%0.00442%0.416CS..THydrogen-bonded Turntrans-90.6-49-175-163-83.4000112.9C6 F31 C36 N39 R44 P46 T49 W51 T52C6-F8 VanDerWaalsContact C-N 3.32Å; C6-F8 PolarHBondContact O-N 3.36Å; C6-F8 PolarHBondContact SG-N 3.47Å; C6-F8 VanDerWaalsContact SG-N 3.44Å; F8-F31 HydrophobicContact CB-CD1 4.34Å; F8-F31 HydrophobicContact CB-CE1 4.39Å; F8-C36 HydrophobicContact CB-CB 3.9Å; F8-C36 HydrophobicContact CG-CB 4.42Å; F8-N39 HydrophobicContact CD2-CB 4.28Å; F8-N39 HydrophobicContact CE1-CB 3.99Å; F8-N39 HydrophobicContact CE2-CB 3.65Å; F8-N39 HydrophobicContact CZ-CB 3.5Å; F8-N39 VanDerWaalsContact CZ-CB 3.5Å; F8-R44 HydrophobicContact CE2-CB 4.4Å; F8-R44 WeakPolarHBondContact CE2-O 3.12Å; F8-R44 HydrophobicContact CZ-CB 4.38Å; F8-P46 HydrophobicContact CD2-CB 4.43Å; F8-P46 HydrophobicContact CD2-CG 3.73Å; F8-P46 HydrophobicContact CE2-CB 4.42Å; F8-P46 HydrophobicContact CE2-CG 3.84Å; F8-P46 HydrophobicContact CG-CG 4.28Å; F8-P46 HydrophobicContact CZ-CG 4.48Å; F8-T49 HydrophobicContact CE1-CG2 4.03Å; F8-T49 HydrophobicContact CZ-CG2 4.24Å; F8-W51 AromaticContact CD1-CH2 3.67Å; F8-W51 HydrophobicContact CD1-CH2 3.67Å; F8-W51 AromaticContact CD1-CZ2 3.87Å; F8-W51 HydrophobicContact CD1-CZ2 3.87Å; F8-W51 AromaticContact CE1-CH2 3.83Å; F8-W51 HydrophobicContact CE1-CH2 3.83Å; F8-W51 AromaticContact CE1-CZ2 3.52Å; F8-W51 HydrophobicContact CE1-CZ2 3.52Å; F8-T52 HydrophobicContact CD1-CG2 3.84Å; F8-T52 HydrophobicContact CE1-CG2 3.62Å; F8-T52 WeakPolarHBondContact O-CG2 3.27Å
9C96.6Very high96Very high17 Ų1776.7 Ų76.712%0.11542%0.417CS..THydrogen-bonded Turntrans-87.2-21.6-173.975.60000112.9C6 G11 C32 W51C6-C9 HydrophobicContact CB-CB 4.41Å; C6-C9 WeakPolarHBondContact CB-SG 3.3Å; C6-C9 PolarHBondContact SG-N 3.29Å; C6-C9 PolarHBondContact SG-SG 3.04Å; C9-G11 PolarHBondContact O-N 2.96Å; C9-G11 VanDerWaalsContact O-N 3.13Å; C9-G11 PolarHBondContact SG-N 2.97Å; C9-C32 WeakPolarHBondContact CB-SG 3.34Å; C9-C32 WeakPolarHBondContact SG-CB 3.39Å; C9-C32 CovalentContact SG-SG 2.11Å; C9-C32 PolarHBondContact SG-SG 3.4Å; C9-W51 HydrophobicContact CB-CH2 4.19Å; C9-W51 HydrophobicContact CB-CZ3 3.68Å
10S96.6Very high96.1Very high51 Ų5176.8 Ų76.836%0.35742%0.415SS..  trans5610.8-165.6-39.60000115.1C6C6-S10 WeakPolarHBondContact O-CA 3.21Å; C6-S10 PolarHBondContact O-N 3.1Å
11G96.3Very high96.2Very high20 Ų2076.9 Ų76.921%0.20641%0.412CS..  trans-74.8164.7170.900000112.2C6 C9C6-G11 WeakPolarHBondContact CB-O 3.48Å; C6-G11 PolarHBondContact N-O 3.1Å; C9-G11 PolarHBondContact O-N 2.96Å; C9-G11 VanDerWaalsContact O-N 3.13Å; C9-G11 PolarHBondContact SG-N 2.97Å
12P97.3Very high96.6Very high77 Ų7770.8 Ų70.850%0.539%0.386SS..EExtended strand (participates in β ladder)trans-68.2145.6178.929.7-35000111.4I3 E4 Y14I3-P12 HydrophobicContact CG2-CB 3.64Å; E4-P12 CarbonylContact O-C 3.52Å; P12-Y14 HydrophobicContact CB-CE2 4.11Å; P12-Y14 HydrophobicContact CG-CE2 4.15Å
13V97.5Very high96.8Very high10 Ų1068.2 Ų68.26%0.06138%0.376CS..EExtended strand (participates in β ladder)trans-121105.9172.6-174.80000106.9E4 C6 H17 C32E4-V13 HydrophobicContact CB-CB 4.36Å; E4-V13 PolarHBondContact N-O 3.36Å; E4-V13 VanDerWaalsContact N-O 3.14Å; E4-V13 PolarHBondContact O-N 3.46Å; C6-V13 HydrophobicContact CB-CG2 3.84Å; V13-H17 WeakPolarHBondContact CG1-O 3.42Å; V13-C32 HydrophobicContact CG2-CB 4.09Å
14Y96.7Very high96.9Very high132 Ų13271.9 Ų71.952%0.51840%0.397SS..  trans-78.5155174.2-67.8-85.5000110.3I3 P12 H17I3-Y14 HydrophobicContact CD1-CD1 4.17Å; I3-Y14 HydrophobicContact CD1-CE1 3.56Å; I3-Y14 HydrophobicContact CG1-CD1 4.06Å; I3-Y14 HydrophobicContact CG1-CE1 3.98Å; P12-Y14 HydrophobicContact CB-CE2 4.11Å; P12-Y14 HydrophobicContact CG-CE2 4.15Å; Y14-H17 WeakPolarHBondContact O-CB 3.39Å; Y14-H17 PolarHBondContact O-N 3.12Å; Y14-H17 VanDerWaalsContact O-N 3.15Å
15P96.7Very high97Very high61 Ų6172.6 Ų72.640%0.39640%0.403SS..THydrogen-bonded Turntrans-59.5145.5176.1-26.939.9000111.9M1 H17M1-P15 HydrophobicContact CE-CB 3.55Å; M1-P15 HydrophobicContact CE-CG 3.38Å; M1-P15 HydrophobicContact CG-CG 3.5Å; M1-P15 VanDerWaalsContact CG-CG 3.5Å; M1-P15 HydrophobicContact SD-CG 3.93Å; P15-H17 PolarHBondContact O-N 2.96Å
16G94.8Very high97Very high91 Ų9172.1 Ų72.194%0.93841%0.413SS*.THydrogen-bonded Turntrans77.5-4.6-17300000114.9
17H95.6Very high97Very high131 Ų13177.3 Ų77.361%0.60644%0.435SS*.  trans-110.8144.7179.5-69.4-81000113.6V13 Y14 P15V13-H17 WeakPolarHBondContact CG1-O 3.42Å; Y14-H17 WeakPolarHBondContact O-CB 3.39Å; Y14-H17 PolarHBondContact O-N 3.12Å; Y14-H17 VanDerWaalsContact O-N 3.15Å; P15-H17 PolarHBondContact O-N 2.96Å
18G95.7Very high96.9Very high42 Ų4277.5 Ų77.543%0.43344%0.442SS..SBendtrans82.8-158.3171.300000113.5F31G18-F31 WeakPolarHBondContact CA-O 3.5Å
19V96.9Very high96.9Very high70 Ų7078 Ų7842%0.42444%0.444SS..EExtended strand (participates in β ladder)trans-139145.3-178.6-175.60000108.9F31V19-F31 PolarHBondContact N-O 3.38Å; V19-F31 PolarHBondContact O-N 3.16Å
20M97.2Very high96.9Very high77 Ų7781.6 Ų81.638%0.37946%0.455SS..EExtended strand (participates in β ladder)trans-107.4133.3168.6-170.6-173.8-46.200110V22 M28 F29 R30M20-V22 HydrophobicContact CG-CG2 4.46Å; M20-V22 HydrophobicContact SD-CG2 4.22Å; M20-M28 HydrophobicContact SD-CB 4.35Å; M20-M28 HydrophobicContact SD-CG 4.2Å; M20-M28 HydrophobicContact SD-SD 4.07Å; M20-F29 WeakPolarHBondContact CA-O 3.39Å; M20-R30 HydrophobicContact CE-CG 4.34Å; M20-R30 VanDerWaalsContact CE-NH2 3.26Å; M20-R30 HydrophobicContact CG-CG 4.18Å
21F97.7Very high97Very high79 Ų7979.1 Ų79.135%0.34644%0.438SS..EExtended strand (participates in β ladder)trans-112.8125169.4173.3-115.5000108.7R23 F29 F31 F40F21-R23 HydrophobicContact CE1-CB 3.94Å; F21-R23 HydrophobicContact CE1-CG 4.45Å; F21-R23 HydrophobicContact CZ-CB 4.33Å; F21-F29 HydrophobicContact CB-CB 4.48Å; F21-F29 AromaticContact CD1-CD2 3.82Å; F21-F29 HydrophobicContact CD1-CD2 3.82Å; F21-F29 HydrophobicContact CE1-CD2 4.37Å; F21-F29 PolarHBondContact N-O 2.98Å; F21-F29 PolarHBondContact O-N 3.3Å; F21-F31 HydrophobicContact CB-CE2 4.01Å; F21-F40 AromaticContact CD1-CE1 3.68Å; F21-F40 HydrophobicContact CD1-CE1 3.68Å; F21-F40 HydrophobicContact CD1-CZ 4.25Å; F21-F40 AromaticContact CE1-CE1 3.94Å; F21-F40 HydrophobicContact CE1-CE1 3.94Å; F21-F40 HydrophobicContact CE1-CZ 4.41Å
22V98Very high97.1Very high86 Ų8679.3 Ų79.352%0.52144%0.436SS..EExtended strand (participates in β ladder)trans-102.5122.6173.9-173.80000107.3M20 M28M20-V22 HydrophobicContact CG-CG2 4.46Å; M20-V22 HydrophobicContact SD-CG2 4.22Å; V22-M28 HydrophobicContact CG2-CG 4.33Å
23R97.4Very high97.1Very high101 Ų10182.9 Ų82.938%0.38144%0.444SS..  trans-92.4157.4176-174.1169.867.3174.29.2109.9F21 D25 C26 K27 F29F21-R23 HydrophobicContact CE1-CB 3.94Å; F21-R23 HydrophobicContact CE1-CG 4.45Å; F21-R23 HydrophobicContact CZ-CB 4.33Å; R23-D25 WeakPolarHBondContact CB-OD1 3.35Å; R23-D25 WeakPolarHBondContact CG-OD1 3.43Å; R23-D25 IonicContact CZ-OD1 3.56Å; R23-D25 IonicContact CZ-OD2 3.45Å; R23-D25 IonicContact NE-OD1 2.75Å; R23-D25 PolarHBondContact NE-OD1 2.98Å; R23-D25 IonicContact NE-OD2 3.43Å; R23-D25 PolarHBondContact NE-OD2 3.39Å; R23-D25 IonicContact NH2-OD1 3.51Å; R23-D25 IonicContact NH2-OD2 2.68Å; R23-D25 PolarHBondContact NH2-OD2 3.13Å; R23-D25 PolarHBondContact O-N 3.38Å; R23-C26 WeakPolarHBondContact O-CA 3.5Å; R23-C26 PolarHBondContact O-N 2.99Å; R23-K27 PolarHBondContact N-O 2.89Å; R23-F29 HydrophobicContact CB-CE2 3.97Å
24N97.4Very high97.1Very high169 Ų16986 Ų8690%0.90447%0.466SS*.THydrogen-bonded Turntrans-54.8-23.7-178.4-59.85.9000114.3C26N24-C26 PolarHBondContact O-N 3.23Å
25D97.8Very high97.1Very high67 Ų6785.4 Ų85.436%0.35847%0.466SS..THydrogen-bonded Turntrans-82.122.1173.470.1-28.8000113.5R23 K27R23-D25 WeakPolarHBondContact CB-OD1 3.35Å; R23-D25 WeakPolarHBondContact CG-OD1 3.43Å; R23-D25 IonicContact CZ-OD1 3.56Å; R23-D25 IonicContact CZ-OD2 3.45Å; R23-D25 IonicContact NE-OD1 2.75Å; R23-D25 PolarHBondContact NE-OD1 2.98Å; R23-D25 IonicContact NE-OD2 3.43Å; R23-D25 PolarHBondContact NE-OD2 3.39Å; R23-D25 IonicContact NH2-OD1 3.51Å; R23-D25 IonicContact NH2-OD2 2.68Å; R23-D25 PolarHBondContact NH2-OD2 3.13Å; R23-D25 PolarHBondContact O-N 3.38Å; D25-K27 PolarHBondContact O-N 3.24Å; D25-K27 WeakPolarHBondContact OD1-CB 3.38Å; D25-K27 PolarHBondContact OD1-N 2.8Å; D25-K27 WeakPolarHBondContact OD2-CD 3.4Å; D25-K27 WeakPolarHBondContact OD2-CE 3.39Å; D25-K27 WeakPolarHBondContact OD2-CG 3.5Å; D25-K27 IonicContact OD2-NZ 2.96Å; D25-K27 PolarHBondContact OD2-NZ 3.01Å
26C97Very high97.2Very high108 Ų10882.7 Ų82.773%0.7345%0.449SS*.SBendtrans56.315.6-175.2-610000114.6R23 N24 M28R23-C26 WeakPolarHBondContact O-CA 3.5Å; R23-C26 PolarHBondContact O-N 2.99Å; N24-C26 PolarHBondContact O-N 3.23Å; C26-M28 PolarHBondContact O-N 3.41Å
27K97.1Very high97.3Very high112 Ų11279.8 Ų79.849%0.48741%0.411SS..  trans-81.4124.5176.5-69-172.8-168.3141.70110.8R23 D25 F29R23-K27 PolarHBondContact N-O 2.89Å; D25-K27 PolarHBondContact O-N 3.24Å; D25-K27 WeakPolarHBondContact OD1-CB 3.38Å; D25-K27 PolarHBondContact OD1-N 2.8Å; D25-K27 WeakPolarHBondContact OD2-CD 3.4Å; D25-K27 WeakPolarHBondContact OD2-CE 3.39Å; D25-K27 WeakPolarHBondContact OD2-CG 3.5Å; D25-K27 IonicContact OD2-NZ 2.96Å; D25-K27 PolarHBondContact OD2-NZ 3.01Å; K27-F29 HydrophobicContact CB-CE2 3.93Å; K27-F29 HydrophobicContact CB-CZ 4.02Å
28M97.1Very high97.5Very high125 Ų12580 Ų8062%0.61641%0.41SS*.EExtended strand (participates in β ladder)trans-91.2123.4176-64.8179.9-81.700110.7M20 V22 C26M20-M28 HydrophobicContact SD-CB 4.35Å; M20-M28 HydrophobicContact SD-CG 4.2Å; M20-M28 HydrophobicContact SD-SD 4.07Å; V22-M28 HydrophobicContact CG2-CG 4.33Å; C26-M28 PolarHBondContact O-N 3.41Å
29F97.6Very high97.6Very high13 Ų1378.8 Ų78.86%0.05739%0.393CS..EExtended strand (participates in β ladder)trans-111.4112.9172.9-58.8-78.9000109.6Y7 M20 F21 R23 K27 F31 F40Y7-F29 AromaticContact CD1-CD1 3.89Å; Y7-F29 HydrophobicContact CD1-CD1 3.89Å; Y7-F29 HydrophobicContact CD1-CE1 4.46Å; Y7-F29 AromaticContact CD2-CD1 3.55Å; Y7-F29 HydrophobicContact CD2-CD1 3.55Å; Y7-F29 AromaticContact CD2-CE1 3.91Å; Y7-F29 HydrophobicContact CD2-CE1 3.91Å; Y7-F29 HydrophobicContact CE1-CD1 4.05Å; Y7-F29 HydrophobicContact CE1-CE1 4.16Å; Y7-F29 AromaticContact CE2-CD1 3.71Å; Y7-F29 HydrophobicContact CE2-CD1 3.71Å; Y7-F29 AromaticContact CE2-CE1 3.56Å; Y7-F29 HydrophobicContact CE2-CE1 3.56Å; Y7-F29 AromaticContact CG-CD1 3.63Å; Y7-F29 HydrophobicContact CG-CD1 3.63Å; Y7-F29 HydrophobicContact CG-CE1 4.33Å; Y7-F29 AromaticContact CZ-CD1 3.95Å; Y7-F29 AromaticContact CZ-CE1 3.7Å; M20-F29 WeakPolarHBondContact CA-O 3.39Å; F21-F29 HydrophobicContact CB-CB 4.48Å; F21-F29 AromaticContact CD1-CD2 3.82Å; F21-F29 HydrophobicContact CD1-CD2 3.82Å; F21-F29 HydrophobicContact CE1-CD2 4.37Å; F21-F29 PolarHBondContact N-O 2.98Å; F21-F29 PolarHBondContact O-N 3.3Å; R23-F29 HydrophobicContact CB-CE2 3.97Å; K27-F29 HydrophobicContact CB-CE2 3.93Å; K27-F29 HydrophobicContact CB-CZ 4.02Å; F29-F31 HydrophobicContact CB-CE2 3.84Å; F29-F31 HydrophobicContact CB-CZ 3.71Å; F29-F40 HydrophobicContact CD1-CE2 4.29Å; F29-F40 HydrophobicContact CD1-CZ 4.39Å; F29-F40 HydrophobicContact CD2-CZ 4.06Å; F29-F40 HydrophobicContact CE1-CE2 4.45Å; F29-F40 HydrophobicContact CE2-CZ 4.24Å; F29-F40 HydrophobicContact CG-CE2 4.42Å; F29-F40 HydrophobicContact CG-CZ 4.12Å; F29-F40 HydrophobicContact CZ-CZ 4.48Å
30R97.7Very high97.6Very high91 Ų9177.5 Ų77.534%0.34338%0.382SS..EExtended strand (participates in β ladder)trans-95.5136.6175.1-65.7-179.3-177.3-1024.2110.5C6 Y7 M20C6-R30 CarbonylContact C-O 3.53Å; C6-R30 WeakPolarHBondContact CA-O 3.45Å; Y7-R30 PolarHBondContact N-O 2.98Å; M20-R30 HydrophobicContact CE-CG 4.34Å; M20-R30 VanDerWaalsContact CE-NH2 3.26Å; M20-R30 HydrophobicContact CG-CG 4.18Å
31F98.4Very high97.6Very high0 Ų080.6 Ų80.60%039%0.394CS..EExtended strand (participates in β ladder)trans-122.5132.3-179.6-59.8-71.3000112.1Y7 F8 G18 V19 F21 F29 K33 C36 H37 F40Y7-F31 HydrophobicContact CD1-CE1 4.13Å; F8-F31 HydrophobicContact CB-CD1 4.34Å; F8-F31 HydrophobicContact CB-CE1 4.39Å; G18-F31 WeakPolarHBondContact CA-O 3.5Å; V19-F31 PolarHBondContact N-O 3.38Å; V19-F31 PolarHBondContact O-N 3.16Å; F21-F31 HydrophobicContact CB-CE2 4.01Å; F29-F31 HydrophobicContact CB-CE2 3.84Å; F29-F31 HydrophobicContact CB-CZ 3.71Å; F31-K33 PolarHBondContact O-N 3.31Å; F31-C36 HydrophobicContact CB-CB 4.23Å; F31-C36 HydrophobicContact CD1-CB 4.04Å; F31-H37 HydrophobicContact CB-CB 4.18Å; F31-H37 HydrophobicContact CD2-CB 4.03Å; F31-H37 AromaticContact CD2-CD2 3.66Å; F31-H37 AromaticContact CE2-CD2 3.67Å; F31-H37 HydrophobicContact CG-CB 4.04Å; F31-F40 HydrophobicContact CE1-CB 3.63Å; F31-F40 HydrophobicContact CE1-CD1 4.35Å; F31-F40 HydrophobicContact CE1-CD2 4.09Å; F31-F40 AromaticContact CE1-CG 3.77Å; F31-F40 HydrophobicContact CE1-CG 3.77Å; F31-F40 HydrophobicContact CE2-CD1 4.16Å; F31-F40 HydrophobicContact CE2-CG 4.4Å; F31-F40 HydrophobicContact CZ-CB 3.66Å; F31-F40 AromaticContact CZ-CD1 3.51Å; F31-F40 HydrophobicContact CZ-CD1 3.51Å; F31-F40 AromaticContact CZ-CD2 3.84Å; F31-F40 HydrophobicContact CZ-CD2 3.84Å; F31-F40 HydrophobicContact CZ-CE1 4.05Å; F31-F40 HydrophobicContact CZ-CE2 4.33Å; F31-F40 AromaticContact CZ-CG 3.38Å; F31-F40 HydrophobicContact CZ-CG 3.38Å; F31-F40 HydrophobicContact CZ-CZ 4.42Å
32C97.4Very high97.6Very high24 Ų2484.6 Ų84.616%0.16241%0.411CS..SBendtrans-63.9-38.7179.456.80000113.1C6 C9 V13 C36C6-C32 HydrophobicContact CB-CB 3.74Å; C6-C32 PolarHBondContact SG-N 3.11Å; C9-C32 WeakPolarHBondContact CB-SG 3.34Å; C9-C32 WeakPolarHBondContact SG-CB 3.39Å; C9-C32 CovalentContact SG-SG 2.11Å; C9-C32 PolarHBondContact SG-SG 3.4Å; V13-C32 HydrophobicContact CG2-CB 4.09Å; C32-C36 PolarHBondContact SG-SG 3.37Å
33K96.8Very high97.6Very high151 Ų15189.9 Ų89.966%0.65743%0.427SS*.SBendtrans-151.2163.9-174.7-58.2-175-178.2-173.40111F31 K35 C36 H37F31-K33 PolarHBondContact O-N 3.31Å; K33-K35 PolarHBondContact O-N 2.91Å; K33-C36 WeakPolarHBondContact O-CB 3.49Å; K33-C36 PolarHBondContact O-N 3.24Å; K33-H37 PolarHBondContact O-N 2.99Å
34S97.4Very high97.6Very high77 Ų7791.7 Ų91.754%0.53843%0.434SS..Hα-helixtrans-55.9-34.2176.963.80000113.3C36 H37 K38S34-C36 VanDerWaalsContact C-N 3.31Å; S34-C36 PolarHBondContact O-N 3.03Å; S34-H37 PolarHBondContact O-N 2.98Å; S34-K38 WeakPolarHBondContact O-CB 3.27Å; S34-K38 WeakPolarHBondContact O-CG 3.47Å; S34-K38 PolarHBondContact O-N 2.99Å
35K97.8Very high97.6Very high119 Ų11987.4 Ų87.452%0.51741%0.41SS..Hα-helixtrans-53.8-44.9173.1-179.8177-179.4175.40112.5K33 N39 W51K33-K35 PolarHBondContact O-N 2.91Å; K35-N39 WeakPolarHBondContact O-CB 3.46Å; K35-N39 PolarHBondContact O-N 2.84Å; K35-N39 VanDerWaalsContact O-N 3.08Å; K35-N39 PolarHBondContact O-ND2 2.87Å; K35-W51 HydrophobicContact CD-CZ2 4.32Å; K35-W51 HydrophobicContact CG-CZ2 4.41Å
36C97.9Very high97.6Very high3 Ų385.3 Ų85.32%0.0240%0.401CS..Hα-helixtrans-69.9-43.3-179.1-65.50000111.1F8 F31 C32 K33 S34 N39 F40F8-C36 HydrophobicContact CB-CB 3.9Å; F8-C36 HydrophobicContact CG-CB 4.42Å; F31-C36 HydrophobicContact CB-CB 4.23Å; F31-C36 HydrophobicContact CD1-CB 4.04Å; C32-C36 PolarHBondContact SG-SG 3.37Å; K33-C36 WeakPolarHBondContact O-CB 3.49Å; K33-C36 PolarHBondContact O-N 3.24Å; S34-C36 VanDerWaalsContact C-N 3.31Å; S34-C36 PolarHBondContact O-N 3.03Å; C36-N39 PolarHBondContact O-N 3.3Å; C36-F40 WeakPolarHBondContact O-CB 3.37Å; C36-F40 PolarHBondContact O-N 3.01Å
37H98.1Very high97.6Very high31 Ų3188.5 Ų88.514%0.14440%0.398CS..Hα-helixtrans-63-45.9177-177.9-135.1000112.1F31 K33 S34 N39 F40 K41F31-H37 HydrophobicContact CB-CB 4.18Å; F31-H37 HydrophobicContact CD2-CB 4.03Å; F31-H37 AromaticContact CD2-CD2 3.66Å; F31-H37 AromaticContact CE2-CD2 3.67Å; F31-H37 HydrophobicContact CG-CB 4.04Å; K33-H37 PolarHBondContact O-N 2.99Å; S34-H37 PolarHBondContact O-N 2.98Å; H37-N39 PolarHBondContact O-N 3.21Å; H37-F40 WeakPolarHBondContact O-CB 3.47Å; H37-F40 PolarHBondContact O-N 3.1Å; H37-K41 WeakPolarHBondContact CE1-CE 3.32Å; H37-K41 VanDerWaalsContact NE2-CE 3.34Å; H37-K41 WeakPolarHBondContact NE2-CE 3.36Å; H37-K41 PolarHBondContact O-N 3.25Å
38K98.2Very high97.6Very high135 Ų13591.4 Ų91.459%0.58741%0.41SS*.Hα-helixtrans-61.8-42.6175.8-72.1-179.8-177.9-1770112S34 F40 K41 K42S34-K38 WeakPolarHBondContact O-CB 3.27Å; S34-K38 WeakPolarHBondContact O-CG 3.47Å; S34-K38 PolarHBondContact O-N 2.99Å; K38-F40 VanDerWaalsContact C-N 3.33Å; K38-F40 PolarHBondContact O-N 3Å; K38-K41 PolarHBondContact O-N 3.34Å; K38-K42 WeakPolarHBondContact O-CB 3.41Å; K38-K42 WeakPolarHBondContact O-CG 3.46Å; K38-K42 PolarHBondContact O-N 3Å
39N98Very high97.6Very high17 Ų1786 Ų869%0.09138%0.384CS..Hα-helixtrans-66.2-35.6176.7-76-53.2000112.6F8 K35 C36 H37 K42 K43 R44F8-N39 HydrophobicContact CD2-CB 4.28Å; F8-N39 HydrophobicContact CE1-CB 3.99Å; F8-N39 HydrophobicContact CE2-CB 3.65Å; F8-N39 HydrophobicContact CZ-CB 3.5Å; F8-N39 VanDerWaalsContact CZ-CB 3.5Å; K35-N39 WeakPolarHBondContact O-CB 3.46Å; K35-N39 PolarHBondContact O-N 2.84Å; K35-N39 VanDerWaalsContact O-N 3.08Å; K35-N39 PolarHBondContact O-ND2 2.87Å; C36-N39 PolarHBondContact O-N 3.3Å; H37-N39 PolarHBondContact O-N 3.21Å; N39-K42 CarbonylContact O-C 3.57Å; N39-K42 PolarHBondContact O-N 3.36Å; N39-K43 PolarHBondContact O-N 3.35Å; N39-R44 HydrophobicContact CB-CB 4.47Å; N39-R44 PolarHBondContact O-N 2.92Å; N39-R44 WeakPolarHBondContact OD1-CD 3.44Å; N39-R44 PolarHBondContact OD1-NH1 2.95Å
40F97.9Very high97.5Very high43 Ų4395 Ų9519%0.18942%0.418CS..Hα-helixtrans-64.2-46.3172.7176.6-97000111.7Y7 F21 F29 F31 C36 H37 K38 K42 K43Y7-F40 AromaticContact CD1-CD2 3.87Å; Y7-F40 HydrophobicContact CD1-CD2 3.87Å; Y7-F40 HydrophobicContact CD1-CE2 4Å; Y7-F40 AromaticContact CE1-CD2 3.72Å; Y7-F40 HydrophobicContact CE1-CD2 3.72Å; Y7-F40 AromaticContact CE1-CE2 3.61Å; Y7-F40 HydrophobicContact CE1-CE2 3.61Å; F21-F40 AromaticContact CD1-CE1 3.68Å; F21-F40 HydrophobicContact CD1-CE1 3.68Å; F21-F40 HydrophobicContact CD1-CZ 4.25Å; F21-F40 AromaticContact CE1-CE1 3.94Å; F21-F40 HydrophobicContact CE1-CE1 3.94Å; F21-F40 HydrophobicContact CE1-CZ 4.41Å; F29-F40 HydrophobicContact CD1-CE2 4.29Å; F29-F40 HydrophobicContact CD1-CZ 4.39Å; F29-F40 HydrophobicContact CD2-CZ 4.06Å; F29-F40 HydrophobicContact CE1-CE2 4.45Å; F29-F40 HydrophobicContact CE2-CZ 4.24Å; F29-F40 HydrophobicContact CG-CE2 4.42Å; F29-F40 HydrophobicContact CG-CZ 4.12Å; F29-F40 HydrophobicContact CZ-CZ 4.48Å; F31-F40 HydrophobicContact CE1-CB 3.63Å; F31-F40 HydrophobicContact CE1-CD1 4.35Å; F31-F40 HydrophobicContact CE1-CD2 4.09Å; F31-F40 AromaticContact CE1-CG 3.77Å; F31-F40 HydrophobicContact CE1-CG 3.77Å; F31-F40 HydrophobicContact CE2-CD1 4.16Å; F31-F40 HydrophobicContact CE2-CG 4.4Å; F31-F40 HydrophobicContact CZ-CB 3.66Å; F31-F40 AromaticContact CZ-CD1 3.51Å; F31-F40 HydrophobicContact CZ-CD1 3.51Å; F31-F40 AromaticContact CZ-CD2 3.84Å; F31-F40 HydrophobicContact CZ-CD2 3.84Å; F31-F40 HydrophobicContact CZ-CE1 4.05Å; F31-F40 HydrophobicContact CZ-CE2 4.33Å; F31-F40 AromaticContact CZ-CG 3.38Å; F31-F40 HydrophobicContact CZ-CG 3.38Å; F31-F40 HydrophobicContact CZ-CZ 4.42Å; C36-F40 WeakPolarHBondContact O-CB 3.37Å; C36-F40 PolarHBondContact O-N 3.01Å; H37-F40 WeakPolarHBondContact O-CB 3.47Å; H37-F40 PolarHBondContact O-N 3.1Å; K38-F40 VanDerWaalsContact C-N 3.33Å; K38-F40 PolarHBondContact O-N 3Å; F40-K42 VanDerWaalsContact C-N 3.28Å; F40-K42 PolarHBondContact O-N 3.14Å; F40-K43 WeakPolarHBondContact O-CA 3.34Å; F40-K43 PolarHBondContact O-N 2.84Å
41K97.6Very high97.4Very high142 Ų14295.7 Ų95.762%0.61742%0.42SS*.Hα-helixtrans-58.5-38.9173.8-75.5-175.9167-175.10112.4H37 K38 K43H37-K41 WeakPolarHBondContact CE1-CE 3.32Å; H37-K41 VanDerWaalsContact NE2-CE 3.34Å; H37-K41 WeakPolarHBondContact NE2-CE 3.36Å; H37-K41 PolarHBondContact O-N 3.25Å; K38-K41 PolarHBondContact O-N 3.34Å; K41-K43 PolarHBondContact O-N 2.78Å; K41-K43 VanDerWaalsContact O-N 3.14Å
42K97.9Very high97.4Very high162 Ų16295.7 Ų95.770%0.70442%0.42SS*.THydrogen-bonded Turntrans-73.59.3172.7-68.7-173.6177.8-164.90113.9K38 N39 F40 R44K38-K42 WeakPolarHBondContact O-CB 3.41Å; K38-K42 WeakPolarHBondContact O-CG 3.46Å; K38-K42 PolarHBondContact O-N 3Å; N39-K42 CarbonylContact O-C 3.57Å; N39-K42 PolarHBondContact O-N 3.36Å; F40-K42 VanDerWaalsContact C-N 3.28Å; F40-K42 PolarHBondContact O-N 3.14Å; K42-R44 HydrophobicContact CB-CG 4.07Å; K42-R44 PolarHBondContact O-N 2.82Å
43K97.2Very high97.4Very high198 Ų19899 Ų9986%0.86143%0.432SS*.THydrogen-bonded Turntrans5228.6179.5-57.5-177.6-179.9178.50113.9N39 F40 K41N39-K43 PolarHBondContact O-N 3.35Å; F40-K43 WeakPolarHBondContact O-CA 3.34Å; F40-K43 PolarHBondContact O-N 2.84Å; K41-K43 PolarHBondContact O-N 2.78Å; K41-K43 VanDerWaalsContact O-N 3.14Å
44R97.7Very high97.4Very high139 Ų13993.2 Ų93.253%0.52541%0.412SS..  trans-72.2136.1178.6-60.3-173.487.1-177.67.2109.6F8 N39 K42 P46F8-R44 HydrophobicContact CE2-CB 4.4Å; F8-R44 WeakPolarHBondContact CE2-O 3.12Å; F8-R44 HydrophobicContact CZ-CB 4.38Å; N39-R44 HydrophobicContact CB-CB 4.47Å; N39-R44 PolarHBondContact O-N 2.92Å; N39-R44 WeakPolarHBondContact OD1-CD 3.44Å; N39-R44 PolarHBondContact OD1-NH1 2.95Å; K42-R44 HydrophobicContact CB-CG 4.07Å; K42-R44 PolarHBondContact O-N 2.82Å; R44-P46 WeakPolarHBondContact O-CD 3.48Å
45N96.8Very high97.4Very high78 Ų7891.2 Ų91.242%0.41739%0.394SS..  trans-76.8120.3177.8-171.3-23.1000110.6R47 K48 T49N45-R47 PolarHBondContact O-N 2.97Å; N45-R47 WeakPolarHBondContact OD1-CB 3.39Å; N45-R47 PolarHBondContact OD1-N 3.48Å; N45-K48 HydrophobicContact CB-CB 4.38Å; N45-K48 HydrophobicContact CB-CG 4.3Å; N45-K48 PolarHBondContact O-N 3.4Å; N45-T49 PolarHBondContact O-N 3.4Å; N45-T49 PolarHBondContact O-OG1 3.08Å
46P97.8Very high97.4Very high24 Ų2488.9 Ų88.916%0.15638%0.382CS..G310 helixtrans-57-34.2176.3-22.832.3000112.7F8 R44 K48 T49 T52 A54F8-P46 HydrophobicContact CD2-CB 4.43Å; F8-P46 HydrophobicContact CD2-CG 3.73Å; F8-P46 HydrophobicContact CE2-CB 4.42Å; F8-P46 HydrophobicContact CE2-CG 3.84Å; F8-P46 HydrophobicContact CG-CG 4.28Å; F8-P46 HydrophobicContact CZ-CG 4.48Å; R44-P46 WeakPolarHBondContact O-CD 3.48Å; P46-K48 VanDerWaalsContact C-N 3.25Å; P46-K48 PolarHBondContact O-N 3.36Å; P46-T49 PolarHBondContact O-N 3.49Å; P46-T49 VanDerWaalsContact O-N 3.08Å; P46-T52 HydrophobicContact CB-CG2 4.46Å; P46-T52 PolarHBondContact O-OG1 3.26Å; P46-A54 HydrophobicContact CB-CB 4.13Å
47R96.6Very high97.3Very high175 Ų17593.8 Ų93.866%0.6640%0.403SS*.G310 helixtrans-68.9-18.7179-61.8-174.3-177.1-138.42.9114N45 F55N45-R47 PolarHBondContact O-N 2.97Å; N45-R47 WeakPolarHBondContact OD1-CB 3.39Å; N45-R47 PolarHBondContact OD1-N 3.48Å; R47-F55 VanDerWaalsContact O-CD2 3.22Å; R47-F55 WeakPolarHBondContact O-CD2 3.49Å
48K97Very high97.1Very high172 Ų17295.6 Ų95.675%0.74842%0.423SS*.G310 helixtrans-97.2-9.9172.6-64.7-170.9175.7-175.20112.3N45 P46 R50N45-K48 HydrophobicContact CB-CB 4.38Å; N45-K48 HydrophobicContact CB-CG 4.3Å; N45-K48 PolarHBondContact O-N 3.4Å; P46-K48 VanDerWaalsContact C-N 3.25Å; P46-K48 PolarHBondContact O-N 3.36Å; K48-R50 PolarHBondContact O-N 3.19Å
49T97.2Very high97.1Very high12 Ų1291.7 Ų91.77%0.07442%0.416CS..  trans-91.4105.2-175.2-57.10000110.6F8 N45 P46 W51 T52 F55F8-T49 HydrophobicContact CE1-CG2 4.03Å; F8-T49 HydrophobicContact CZ-CG2 4.24Å; N45-T49 PolarHBondContact O-N 3.4Å; N45-T49 PolarHBondContact O-OG1 3.08Å; P46-T49 PolarHBondContact O-N 3.49Å; P46-T49 VanDerWaalsContact O-N 3.08Å; T49-W51 VanDerWaalsContact C-N 3.26Å; T49-W51 HydrophobicContact CG2-CD2 4.34Å; T49-W51 HydrophobicContact CG2-CG 4.27Å; T49-W51 HydrophobicContact CG2-CZ2 4.22Å; T49-W51 PolarHBondContact O-N 2.83Å; T49-T52 HydrophobicContact CG2-CG2 3.9Å; T49-T52 PolarHBondContact O-N 3.14Å; T49-T52 PolarHBondContact O-OG1 3.36Å; T49-T52 VanDerWaalsContact O-OG1 3.08Å; T49-F55 WeakPolarHBondContact O-CB 3.4Å
50R96.6Very high96.9Very high203 Ų20392.8 Ų92.877%0.76643%0.432SS*.THydrogen-bonded Turntrans-52.2-31-166.2-69.5-177.5173.4138.6-1.5117K48 F55K48-R50 PolarHBondContact O-N 3.19Å; R50-F55 HydrophobicContact CB-CD1 4.38Å; R50-F55 HydrophobicContact CB-CE1 4.26Å; R50-F55 HydrophobicContact CG-CE1 4.17Å; R50-F55 HydrophobicContact CG-CE2 4.13Å; R50-F55 HydrophobicContact CG-CZ 3.93Å; R50-F55 VanDerWaalsContact O-CD1 3.27Å; R50-F55 WeakPolarHBondContact O-CD1 3.35Å
51W95.9Very high96.8Very high105 Ų10594.6 Ų94.640%0.39844%0.439SS..THydrogen-bonded Turntrans-86.7-10.4-175.861.5-96.2000114F8 C9 K35 T49F8-W51 AromaticContact CD1-CH2 3.67Å; F8-W51 HydrophobicContact CD1-CH2 3.67Å; F8-W51 AromaticContact CD1-CZ2 3.87Å; F8-W51 HydrophobicContact CD1-CZ2 3.87Å; F8-W51 AromaticContact CE1-CH2 3.83Å; F8-W51 HydrophobicContact CE1-CH2 3.83Å; F8-W51 AromaticContact CE1-CZ2 3.52Å; F8-W51 HydrophobicContact CE1-CZ2 3.52Å; C9-W51 HydrophobicContact CB-CH2 4.19Å; C9-W51 HydrophobicContact CB-CZ3 3.68Å; K35-W51 HydrophobicContact CD-CZ2 4.32Å; K35-W51 HydrophobicContact CG-CZ2 4.41Å; T49-W51 VanDerWaalsContact C-N 3.26Å; T49-W51 HydrophobicContact CG2-CD2 4.34Å; T49-W51 HydrophobicContact CG2-CG 4.27Å; T49-W51 HydrophobicContact CG2-CZ2 4.22Å; T49-W51 PolarHBondContact O-N 2.83Å
52T97.7Very high96.6Very high0 Ų089 Ų890%042%0.416CS..SBendtrans-78.6153.6-179.472.40000111.3F8 P46 T49 A54 F55 R56F8-T52 HydrophobicContact CD1-CG2 3.84Å; F8-T52 HydrophobicContact CE1-CG2 3.62Å; F8-T52 WeakPolarHBondContact O-CG2 3.27Å; P46-T52 HydrophobicContact CB-CG2 4.46Å; P46-T52 PolarHBondContact O-OG1 3.26Å; T49-T52 HydrophobicContact CG2-CG2 3.9Å; T49-T52 PolarHBondContact O-N 3.14Å; T49-T52 PolarHBondContact O-OG1 3.36Å; T49-T52 VanDerWaalsContact O-OG1 3.08Å; T52-A54 VanDerWaalsContact C-N 3.25Å; T52-A54 PolarHBondContact O-N 3.4Å; T52-F55 PolarHBondContact O-N 2.88Å; T52-F55 PolarHBondContact OG1-N 2.94Å; T52-R56 WeakPolarHBondContact O-CG 3.3Å; T52-R56 PolarHBondContact O-N 3.04Å; T52-R56 VanDerWaalsContact O-N 3.16Å
53K96.9Very high96.5Very high93 Ų9383 Ų8340%0.40439%0.391SS..Hα-helixtrans-64.3-32.2170.7-65.9-62.6-165.6177.40112.3F55 R56 K57 E62K53-F55 PolarHBondContact O-N 3.07Å; K53-R56 PolarHBondContact O-N 3.39Å; K53-K57 WeakPolarHBondContact O-CG 3.36Å; K53-K57 PolarHBondContact O-N 2.91Å; K53-E62 VanDerWaalsContact CD-OE1 3.23Å; K53-E62 WeakPolarHBondContact CD-OE1 3.43Å; K53-E62 IonicContact NZ-OE1 2.82Å; K53-E62 PolarHBondContact NZ-OE1 3.08Å; K53-E62 IonicContact NZ-OE2 3Å
54A96.9Very high96.2Very high29 Ų2977.2 Ų77.224%0.2437%0.372CS..Hα-helixtrans-59.4-4717600000112.1P46 T52 A58P46-A54 HydrophobicContact CB-CB 4.13Å; T52-A54 VanDerWaalsContact C-N 3.25Å; T52-A54 PolarHBondContact O-N 3.4Å; A54-A58 WeakPolarHBondContact O-CB 3.34Å; A54-A58 PolarHBondContact O-N 3.31Å; A54-A58 VanDerWaalsContact O-N 3.11Å
55F97.9Very high96Very high35 Ų3576.8 Ų76.815%0.15439%0.385CS..Hα-helixtrans-61.6-46.6173.2173-87.9000111.1R47 T49 R50 T52 K53 K57 A58 A59 K61R47-F55 VanDerWaalsContact O-CD2 3.22Å; R47-F55 WeakPolarHBondContact O-CD2 3.49Å; T49-F55 WeakPolarHBondContact O-CB 3.4Å; R50-F55 HydrophobicContact CB-CD1 4.38Å; R50-F55 HydrophobicContact CB-CE1 4.26Å; R50-F55 HydrophobicContact CG-CE1 4.17Å; R50-F55 HydrophobicContact CG-CE2 4.13Å; R50-F55 HydrophobicContact CG-CZ 3.93Å; R50-F55 VanDerWaalsContact O-CD1 3.27Å; R50-F55 WeakPolarHBondContact O-CD1 3.35Å; T52-F55 PolarHBondContact O-N 2.88Å; T52-F55 PolarHBondContact OG1-N 2.94Å; K53-F55 PolarHBondContact O-N 3.07Å; F55-K57 VanDerWaalsContact C-N 3.34Å; F55-K57 PolarHBondContact O-N 2.84Å; F55-A58 PolarHBondContact O-N 3.02Å; F55-A59 HydrophobicContact CD1-CB 4.37Å; F55-A59 HydrophobicContact CE1-CB 3.97Å; F55-A59 HydrophobicContact CE2-CB 4.41Å; F55-A59 HydrophobicContact CZ-CB 3.97Å; F55-A59 VanDerWaalsContact O-CB 3.25Å; F55-A59 WeakPolarHBondContact O-CB 3.47Å; F55-A59 PolarHBondContact O-N 2.94Å; F55-K61 HydrophobicContact CE1-CD 4.17Å
56R97.1Very high95.8Very high70 Ų7074.4 Ų74.426%0.26437%0.372SS..Hα-helixtrans-61-41.5-176.7-69.9173.964.489.83.5112.4T52 K53 G60 K61 E62T52-R56 WeakPolarHBondContact O-CG 3.3Å; T52-R56 PolarHBondContact O-N 3.04Å; T52-R56 VanDerWaalsContact O-N 3.16Å; K53-R56 PolarHBondContact O-N 3.39Å; R56-G60 PolarHBondContact O-N 3.37Å; R56-K61 HydrophobicContact CB-CB 4.05Å; R56-K61 HydrophobicContact CG-CB 4.37Å; R56-K61 WeakPolarHBondContact O-CA 3.28Å; R56-K61 WeakPolarHBondContact O-CB 3.41Å; R56-K61 PolarHBondContact O-N 3.41Å; R56-E62 HydrophobicContact CB-CG 4.08Å; R56-E62 IonicContact CZ-OE1 3.6Å; R56-E62 IonicContact NE-OE1 2.77Å; R56-E62 PolarHBondContact NE-OE1 3.09Å; R56-E62 IonicContact NH2-OE1 3.58Å
57K95.3Very high95.6Very high106 Ų10678.6 Ų78.646%0.46139%0.393SS..Hα-helixtrans-66.6-46.3175.1-71-174.4177.6-166.60112.1K53 F55 A59 G60 E62 T64K53-K57 WeakPolarHBondContact O-CG 3.36Å; K53-K57 PolarHBondContact O-N 2.91Å; F55-K57 VanDerWaalsContact C-N 3.34Å; F55-K57 PolarHBondContact O-N 2.84Å; K57-A59 VanDerWaalsContact C-N 3.33Å; K57-A59 PolarHBondContact O-N 3.27Å; K57-G60 PolarHBondContact O-N 3.35Å; K57-E62 HydrophobicContact CG-CB 4.46Å; K57-T64 HydrophobicContact CB-CG2 3.82Å; K57-T64 HydrophobicContact CG-CG2 4.07Å
58A96Very high95.4Very high70 Ų7070.9 Ų70.958%0.57937%0.366SS*.Hα-helixtrans-65.2-35.4179.900000113A54 F55 G60A54-A58 WeakPolarHBondContact O-CB 3.34Å; A54-A58 PolarHBondContact O-N 3.31Å; A54-A58 VanDerWaalsContact O-N 3.11Å; F55-A58 PolarHBondContact O-N 3.02Å; A58-G60 VanDerWaalsContact C-N 3.3Å; A58-G60 PolarHBondContact O-N 3.2Å
59A96.1Very high95.2Very high52 Ų5265 Ų6543%0.4334%0.343SS..THydrogen-bonded Turntrans-88.414.1179.700000113.7F55 K57 K61F55-A59 HydrophobicContact CD1-CB 4.37Å; F55-A59 HydrophobicContact CE1-CB 3.97Å; F55-A59 HydrophobicContact CE2-CB 4.41Å; F55-A59 HydrophobicContact CZ-CB 3.97Å; F55-A59 VanDerWaalsContact O-CB 3.25Å; F55-A59 WeakPolarHBondContact O-CB 3.47Å; F55-A59 PolarHBondContact O-N 2.94Å; K57-A59 VanDerWaalsContact C-N 3.33Å; K57-A59 PolarHBondContact O-N 3.27Å; A59-K61 HydrophobicContact CB-CG 4.32Å; A59-K61 PolarHBondContact O-N 3.32Å
60G94.8Very high95Very high41 Ų4171.1 Ų71.142%0.42337%0.37SS..THydrogen-bonded Turntrans64.922.8178.100000114.9R56 K57 A58R56-G60 PolarHBondContact O-N 3.37Å; K57-G60 PolarHBondContact O-N 3.35Å; A58-G60 VanDerWaalsContact C-N 3.3Å; A58-G60 PolarHBondContact O-N 3.2Å
61K95Very high94.8Very high80 Ų8068 Ų6835%0.34836%0.363SS..  trans-86.3-9.5-179.4-63.7-167.7179.1-166.70113.9F55 R56 A59 R111F55-K61 HydrophobicContact CE1-CD 4.17Å; R56-K61 HydrophobicContact CB-CB 4.05Å; R56-K61 HydrophobicContact CG-CB 4.37Å; R56-K61 WeakPolarHBondContact O-CA 3.28Å; R56-K61 WeakPolarHBondContact O-CB 3.41Å; R56-K61 PolarHBondContact O-N 3.41Å; A59-K61 HydrophobicContact CB-CG 4.32Å; A59-K61 PolarHBondContact O-N 3.32Å; K61-R111 VanDerWaalsContact CB-NH1 3.31Å; K61-R111 PolarHBondContact O-NH1 3.24Å
62E94.4Very high94.6Very high26 Ų2669.3 Ų69.312%0.12137%0.373CS..SBendtrans-136.3156.7178.2-70.5-176.5175.400109.9K53 R56 K57 T64K53-E62 VanDerWaalsContact CD-OE1 3.23Å; K53-E62 WeakPolarHBondContact CD-OE1 3.43Å; K53-E62 IonicContact NZ-OE1 2.82Å; K53-E62 PolarHBondContact NZ-OE1 3.08Å; K53-E62 IonicContact NZ-OE2 3Å; R56-E62 HydrophobicContact CB-CG 4.08Å; R56-E62 IonicContact CZ-OE1 3.6Å; R56-E62 IonicContact NE-OE1 2.77Å; R56-E62 PolarHBondContact NE-OE1 3.09Å; R56-E62 IonicContact NH2-OE1 3.58Å; K57-E62 HydrophobicContact CG-CB 4.46Å; E62-T64 PolarHBondContact O-N 2.74Å
63L94.8Very high94.3Very high36 Ų3676 Ų7619%0.18840%0.402CS..  trans-69118.4172.8-17463.5000109.4D66 R103 Q104 F107L63-D66 HydrophobicContact CD2-CB 3.8Å; L63-D66 HydrophobicContact CG-CB 4.11Å; L63-R103 HydrophobicContact CD2-CB 4.09Å; L63-Q104 HydrophobicContact CB-CG 4.42Å; L63-F107 HydrophobicContact CB-CB 4.39Å; L63-F107 HydrophobicContact CB-CD1 4.5Å; L63-F107 HydrophobicContact CB-CG 4.22Å; L63-F107 HydrophobicContact CD1-CD2 4.01Å; L63-F107 HydrophobicContact CD1-CE2 4.45Å; L63-F107 HydrophobicContact CD1-CG 4.48Å
64T92.4Very high94.1Very high76 Ų7681.1 Ų81.147%0.46642%0.419SS..  trans-101.2-38.4-174.747.90000113.5K57 E62 L69K57-T64 HydrophobicContact CB-CG2 3.82Å; K57-T64 HydrophobicContact CG-CG2 4.07Å; E62-T64 PolarHBondContact O-N 2.74Å; T64-L69 WeakPolarHBondContact O-CD1 3.42Å
65V91.9Very high93.9Very high129 Ų12988.1 Ų88.178%0.78244%0.439SS*.SBendtrans-111.3106.1-177.6-175.70000108.2
66D93.1Very high93.8Very high28 Ų2892.8 Ų92.815%0.1547%0.466CS..  trans-159.3139.3175.7-175.182000111L63 S68 L69 R103L63-D66 HydrophobicContact CD2-CB 3.8Å; L63-D66 HydrophobicContact CG-CB 4.11Å; D66-S68 PolarHBondContact O-N 3.08Å; D66-S68 VanDerWaalsContact O-N 3.16Å; D66-S68 WeakPolarHBondContact OD2-CB 3.37Å; D66-S68 PolarHBondContact OD2-N 3.06Å; D66-S68 PolarHBondContact OD2-OG 3.47Å; D66-L69 HydrophobicContact CB-CD1 4.47Å; D66-L69 HydrophobicContact CB-CG 4.42Å; D66-L69 WeakPolarHBondContact O-CB 3.35Å; D66-L69 PolarHBondContact O-N 3.27Å; D66-R103 VanDerWaalsContact OD1-CD 3.26Å; D66-R103 WeakPolarHBondContact OD1-CD 3.45Å; D66-R103 IonicContact OD1-CZ 3.9Å; D66-R103 IonicContact OD1-NE 3.76Å; D66-R103 IonicContact OD1-NH1 3.72Å; D66-R103 PolarHBondContact OD1-NH1 3.06Å; D66-R103 IonicContact OD2-NH1 2.8Å; D66-R103 PolarHBondContact OD2-NH1 3.01Å
67N93.9Very high93.7Very high113 Ų11396.3 Ų96.360%0.60449%0.488SS*.G310 helixtrans-61.5-25.9-177-58.75.1000112.9L69 E70N67-L69 PolarHBondContact O-N 2.68Å; N67-E70 PolarHBondContact O-N 2.75Å
68S93.1Very high93.7Very high12 Ų1297 Ų978%0.08450%0.504CS..G310 helixtrans-64.7-22.2176.568.80000112.8D66D66-S68 PolarHBondContact O-N 3.08Å; D66-S68 VanDerWaalsContact O-N 3.16Å; D66-S68 WeakPolarHBondContact OD2-CB 3.37Å; D66-S68 PolarHBondContact OD2-N 3.06Å; D66-S68 PolarHBondContact OD2-OG 3.47Å
69L92Very high93.7Very high50 Ų5098.9 Ų98.926%0.26251%0.507SS..G310 helixtrans-78.9-20.8179.8-59.3178.1000112.8T64 D66 N67 F71 E72 K100T64-L69 WeakPolarHBondContact O-CD1 3.42Å; D66-L69 HydrophobicContact CB-CD1 4.47Å; D66-L69 HydrophobicContact CB-CG 4.42Å; D66-L69 WeakPolarHBondContact O-CB 3.35Å; D66-L69 PolarHBondContact O-N 3.27Å; N67-L69 PolarHBondContact O-N 2.68Å; L69-F71 VanDerWaalsContact C-N 3.25Å; L69-F71 PolarHBondContact O-N 3.43Å; L69-E72 PolarHBondContact O-N 3.23Å; L69-K100 HydrophobicContact CD2-CD 4Å; L69-K100 HydrophobicContact CD2-CG 4.5Å
70E93.2Very high93.7Very high140 Ų140105.7 Ų105.765%0.65453%0.527SS*.THydrogen-bonded Turntrans-71.1-20.9-176.9-61.4-172.3160.900113.3N67 E72N67-E70 PolarHBondContact O-N 2.75Å; E70-E72 VanDerWaalsContact C-N 3.26Å; E70-E72 PolarHBondContact O-N 3.07Å
71F93.3Very high93.8Very high138 Ų138111.3 Ų111.361%0.60554%0.537SS*.THydrogen-bonded Turntrans-65.5-29.4177.3-70.2-88.6000112.4L69 K73 V96L69-F71 VanDerWaalsContact C-N 3.25Å; L69-F71 PolarHBondContact O-N 3.43Å; F71-K73 PolarHBondContact O-N 2.9Å; F71-V96 HydrophobicContact CB-CG1 4.4Å; F71-V96 HydrophobicContact CD1-CG2 4.43Å; F71-V96 HydrophobicContact CD2-CG1 3.91Å; F71-V96 HydrophobicContact CD2-CG2 4.24Å; F71-V96 HydrophobicContact CE1-CG2 4.37Å; F71-V96 HydrophobicContact CE2-CG1 4.47Å; F71-V96 HydrophobicContact CE2-CG2 4.17Å; F71-V96 HydrophobicContact CG-CG1 4.2Å; F71-V96 HydrophobicContact CG-CG2 4.37Å; F71-V96 HydrophobicContact CZ-CG2 4.24Å
72E90.1Very high94Very high132 Ų132111.3 Ų111.362%0.61754%0.541SS*.SBendtrans-84.150.7-179.6-157.1-158.7163.100112.3K5 L69 E70K5-E72 WeakPolarHBondContact CE-OE1 3.4Å; K5-E72 IonicContact NZ-OE1 2.68Å; K5-E72 PolarHBondContact NZ-OE1 3.4Å; K5-E72 IonicContact NZ-OE2 3.98Å; K5-E72 PolarHBondContact NZ-OE2 3.02Å; L69-E72 PolarHBondContact O-N 3.23Å; E70-E72 VanDerWaalsContact C-N 3.26Å; E70-E72 PolarHBondContact O-N 3.07Å
73K92.1Very high94.1Very high139 Ų139118 Ų11860%0.60457%0.565SS**PPolyproline II helixtrans-95.2145.1179.167.6-176.1180-176.40112.8F71 R75F71-K73 PolarHBondContact O-N 2.9Å; K73-R75 HydrophobicContact CG-CG 4.46Å; K73-R75 PolarHBondContact O-N 3.32Å
74R92Very high94.3Very high201 Ų201122.9 Ų122.976%0.75859%0.587SS**PPolyproline II helixtrans-71.9119.2170-174177178.5167.62.5108.8
75R93.4Very high94.5Very high177 Ų177123.4 Ų123.467%0.66859%0.586SS**PPolyproline II helixtrans-95121.6174.1-59.1-170.5-172.8-1335.4109K73K73-R75 HydrophobicContact CG-CG 4.46Å; K73-R75 PolarHBondContact O-N 3.32Å
76N95.1Very high94.7Very high133 Ų133124 Ų12471%0.71157%0.574SS**  trans-93.8-17.8176.8-64.8-19.4000112.2
77I95.9Very high94.9Very high143 Ų143126.9 Ų126.973%0.73359%0.59SS**SBendtrans-102.8116.8177.6-59.9168000107.7
78P95.6Very high95.1Very high121 Ų121128.2 Ų128.279%0.78659%0.591SS**  trans-74.5152.5174.331.6-33.5000110.6
79V95.3Very high95.3Very high109 Ų109129.8 Ų129.866%0.66160%0.602SS**  trans-112145.4172.7-178.40000107.7Y81V79-Y81 PolarHBondContact O-N 3.23Å
80K96.9Very high95.5Very high195 Ų195130.9 Ų130.985%0.84861%0.61SS**  trans-58.3138.9174.1-169.2173.5-177178.50109.7N82K80-N82 PolarHBondContact O-N 3.2Å
81Y97.2Very high95.7Very high159 Ų159131 Ų13162%0.62461%0.611SS**  trans-58.7129.9178.3173.4-95.2000110.9V79 R83 W86V79-Y81 PolarHBondContact O-N 3.23Å; Y81-R83 HydrophobicContact CE1-CB 4.37Å; Y81-W86 AromaticContact CD2-CD1 3.26Å; Y81-W86 HydrophobicContact CD2-CG 4.46Å; Y81-W86 AromaticContact CD2-NE1 3.45Å; Y81-W86 AromaticContact CE2-CD1 3.25Å; Y81-W86 HydrophobicContact CE2-CG 4.16Å; Y81-W86 AromaticContact CE2-NE1 3.82Å
82N97.8Very high95.9Very high80 Ų80126.8 Ų126.843%0.42860%0.601SS.*  trans-137.5125168.5179.2-24.5000107.9K80 Q84 L85 W86K80-N82 PolarHBondContact O-N 3.2Å; N82-Q84 PolarHBondContact OD1-N 3.47Å; N82-L85 HydrophobicContact CB-CB 4Å; N82-L85 PolarHBondContact O-N 2.94Å; N82-W86 PolarHBondContact O-N 3.32Å
83R97.6Very high96.2Very high168 Ų168126.7 Ų126.763%0.63460%0.602SS**Hα-helixtrans-60.3-48.2-177.3-177.5175.2-179.9135.40.6112.3Y81 L85 W86 D87Y81-R83 HydrophobicContact CE1-CB 4.37Å; R83-L85 VanDerWaalsContact C-N 3.25Å; R83-L85 PolarHBondContact O-N 3.11Å; R83-W86 PolarHBondContact O-N 3.09Å; R83-W86 VanDerWaalsContact O-N 3.07Å; R83-D87 WeakPolarHBondContact CG-OD2 3.18Å; R83-D87 IonicContact NE-OD2 3.74Å; R83-D87 PolarHBondContact O-N 3.31Å
84Q97.8Very high96.4Very high137 Ų137126.9 Ų126.964%0.6460%0.603SS**Hα-helixtrans-61.1-37.4-179.1-63.5-179.6-2.300111.8N82 K88N82-Q84 PolarHBondContact OD1-N 3.47Å; Q84-K88 WeakPolarHBondContact O-CB 3.43Å; Q84-K88 VanDerWaalsContact O-CG 3.25Å; Q84-K88 WeakPolarHBondContact O-CG 3.27Å; Q84-K88 PolarHBondContact O-N 2.87Å
85L97.2Very high96.7Very high88 Ų88123.9 Ų123.946%0.46160%0.596SS.*Hα-helixtrans-67-42.1175.8178.563.1000111.4N82 R83 S89N82-L85 HydrophobicContact CB-CB 4Å; N82-L85 PolarHBondContact O-N 2.94Å; R83-L85 VanDerWaalsContact C-N 3.25Å; R83-L85 PolarHBondContact O-N 3.11Å; L85-S89 WeakPolarHBondContact O-CB 3.22Å; L85-S89 PolarHBondContact O-N 3.48Å; L85-S89 PolarHBondContact O-OG 3.28Å
86W96.6Very high96.8Very high140 Ų140116.8 Ų116.853%0.5357%0.572SS.*Hα-helixtrans-64.8-46.5178.1-95.6118.4000112.5Y81 N82 R83 K88 S89 V90Y81-W86 AromaticContact CD2-CD1 3.26Å; Y81-W86 HydrophobicContact CD2-CG 4.46Å; Y81-W86 AromaticContact CD2-NE1 3.45Å; Y81-W86 AromaticContact CE2-CD1 3.25Å; Y81-W86 HydrophobicContact CE2-CG 4.16Å; Y81-W86 AromaticContact CE2-NE1 3.82Å; N82-W86 PolarHBondContact O-N 3.32Å; R83-W86 PolarHBondContact O-N 3.09Å; R83-W86 VanDerWaalsContact O-N 3.07Å; W86-K88 PolarHBondContact O-N 3.2Å; W86-S89 WeakPolarHBondContact O-CB 3.25Å; W86-S89 PolarHBondContact O-N 3.27Å; W86-S89 VanDerWaalsContact O-N 3.08Å; W86-V90 WeakPolarHBondContact O-CG2 3.47Å; W86-V90 PolarHBondContact O-N 2.86Å
87D97.9Very high96.9Very high90 Ų90114.7 Ų114.748%0.48156%0.558SS.*Hα-helixtrans-59.3-48.6179.4-66.9-22.9000110.6R83 S89 V90 E91R83-D87 WeakPolarHBondContact CG-OD2 3.18Å; R83-D87 IonicContact NE-OD2 3.74Å; R83-D87 PolarHBondContact O-N 3.31Å; D87-S89 VanDerWaalsContact C-N 3.29Å; D87-S89 PolarHBondContact O-N 2.11Å; D87-V90 PolarHBondContact O-N 2.87Å; D87-E91 PolarHBondContact O-N 3.49Å; D87-E91 VanDerWaalsContact O-N 3.14Å
88K97.8Very high96.9Very high141 Ų141114.2 Ų114.261%0.61355%0.553SS**Hα-helixtrans-60-37.3174.4-71.5176-178.5-179.20112.7Q84 W86 A92Q84-K88 WeakPolarHBondContact O-CB 3.43Å; Q84-K88 VanDerWaalsContact O-CG 3.25Å; Q84-K88 WeakPolarHBondContact O-CG 3.27Å; Q84-K88 PolarHBondContact O-N 2.87Å; W86-K88 PolarHBondContact O-N 3.2Å; K88-A92 VanDerWaalsContact O-CB 3.29Å; K88-A92 WeakPolarHBondContact O-CB 3.34Å; K88-A92 PolarHBondContact O-N 3.32Å
89S96.4Very high97Very high45 Ų45111.5 Ų111.532%0.31553%0.531SS..Hα-helixtrans-68.3-41.1179.8-62.30000112.1L85 W86 D87 A92 M93L85-S89 WeakPolarHBondContact O-CB 3.22Å; L85-S89 PolarHBondContact O-N 3.48Å; L85-S89 PolarHBondContact O-OG 3.28Å; W86-S89 WeakPolarHBondContact O-CB 3.25Å; W86-S89 PolarHBondContact O-N 3.27Å; W86-S89 VanDerWaalsContact O-N 3.08Å; D87-S89 VanDerWaalsContact C-N 3.29Å; D87-S89 PolarHBondContact O-N 2.11Å; S89-A92 PolarHBondContact O-N 3.32Å; S89-M93 VanDerWaalsContact O-CG 3.3Å; S89-M93 WeakPolarHBondContact O-CG 3.47Å; S89-M93 PolarHBondContact O-N 2.82Å
90V96.6Very high97Very high73 Ų73108.3 Ų108.344%0.44251%0.508SS..Hα-helixtrans-66-41.3178.1172.70000110.9W86 D87 M93 K94W86-V90 WeakPolarHBondContact O-CG2 3.47Å; W86-V90 PolarHBondContact O-N 2.86Å; D87-V90 PolarHBondContact O-N 2.87Å; V90-M93 PolarHBondContact O-N 3.35Å; V90-K94 PolarHBondContact O-N 3.13Å
91E97.3Very high97Very high142 Ų142102.7 Ų102.766%0.66449%0.49SS*.Hα-helixtrans-63.3-48.1174.5-170.8-177177.300111.5D87 M93 K94 K95D87-E91 PolarHBondContact O-N 3.49Å; D87-E91 VanDerWaalsContact O-N 3.14Å; E91-M93 VanDerWaalsContact C-N 3.28Å; E91-M93 PolarHBondContact O-N 3.32Å; E91-K94 PolarHBondContact O-N 3.21Å; E91-K95 PolarHBondContact O-N 3.44Å
92A97.5Very high97Very high49 Ų49101.9 Ų101.941%0.40549%0.489SS..Hα-helixtrans-58.9-38.5177.200000112.3K88 S89 K94 K95 V96K88-A92 VanDerWaalsContact O-CB 3.29Å; K88-A92 WeakPolarHBondContact O-CB 3.34Å; K88-A92 PolarHBondContact O-N 3.32Å; S89-A92 PolarHBondContact O-N 3.32Å; A92-K94 PolarHBondContact O-N 2.91Å; A92-K95 PolarHBondContact O-N 3.46Å; A92-V96 WeakPolarHBondContact O-CB 3.25Å; A92-V96 VanDerWaalsContact O-CG2 3.26Å; A92-V96 WeakPolarHBondContact O-CG2 3.15Å; A92-V96 PolarHBondContact O-N 3.43Å
93M96.3Very high96.9Very high130 Ų130102.9 Ų102.964%0.6449%0.487SS*.Hα-helixtrans-59.1-41.9177.7-81.7177.95100113S89 V90 E91 V96 E97S89-M93 VanDerWaalsContact O-CG 3.3Å; S89-M93 WeakPolarHBondContact O-CG 3.47Å; S89-M93 PolarHBondContact O-N 2.82Å; V90-M93 PolarHBondContact O-N 3.35Å; E91-M93 VanDerWaalsContact C-N 3.28Å; E91-M93 PolarHBondContact O-N 3.32Å; M93-V96 PolarHBondContact O-N 2.93Å; M93-E97 PolarHBondContact O-N 3.35Å; M93-E97 VanDerWaalsContact O-N 3.09Å
94K97Very high96.9Very high143 Ų14397.9 Ų97.962%0.62247%0.471SS*.Hα-helixtrans-62.5-49.4178.2-66.2177.3-178.1177.70110.8V90 E91 A92 V96 E97 E98V90-K94 PolarHBondContact O-N 3.13Å; E91-K94 PolarHBondContact O-N 3.21Å; A92-K94 PolarHBondContact O-N 2.91Å; K94-V96 VanDerWaalsContact C-N 3.34Å; K94-V96 PolarHBondContact O-N 3.02Å; K94-E97 PolarHBondContact O-N 3.02Å; K94-E98 PolarHBondContact O-N 3.38Å; K94-E98 VanDerWaalsContact O-N 3.07Å
95K96.8Very high96.8Very high139 Ų13993.6 Ų93.660%0.60446%0.459SS*.Hα-helixtrans-61.1-40.5178.7-172.3171.1-174.3170.50112.6E91 A92 E98 I99E91-K95 PolarHBondContact O-N 3.44Å; A92-K95 PolarHBondContact O-N 3.46Å; K95-E98 PolarHBondContact O-N 2.91Å; K95-I99 HydrophobicContact CG-CD1 4.15Å; K95-I99 VanDerWaalsContact O-CG1 3.3Å; K95-I99 WeakPolarHBondContact O-CG1 3.44Å; K95-I99 PolarHBondContact O-N 3.01Å; K95-I99 VanDerWaalsContact O-N 3.09Å
96V96.8Very high96.8Very high28 Ų2896.5 Ų96.517%0.1746%0.464CS..Hα-helixtrans-64-41176.7170.40000111.1F71 A92 M93 K94 I99 K100F71-V96 HydrophobicContact CB-CG1 4.4Å; F71-V96 HydrophobicContact CD1-CG2 4.43Å; F71-V96 HydrophobicContact CD2-CG1 3.91Å; F71-V96 HydrophobicContact CD2-CG2 4.24Å; F71-V96 HydrophobicContact CE1-CG2 4.37Å; F71-V96 HydrophobicContact CE2-CG1 4.47Å; F71-V96 HydrophobicContact CE2-CG2 4.17Å; F71-V96 HydrophobicContact CG-CG1 4.2Å; F71-V96 HydrophobicContact CG-CG2 4.37Å; F71-V96 HydrophobicContact CZ-CG2 4.24Å; A92-V96 WeakPolarHBondContact O-CB 3.25Å; A92-V96 VanDerWaalsContact O-CG2 3.26Å; A92-V96 WeakPolarHBondContact O-CG2 3.15Å; A92-V96 PolarHBondContact O-N 3.43Å; M93-V96 PolarHBondContact O-N 2.93Å; K94-V96 VanDerWaalsContact C-N 3.34Å; K94-V96 PolarHBondContact O-N 3.02Å; V96-I99 PolarHBondContact O-N 3.16Å; V96-K100 VanDerWaalsContact O-CB 3.29Å; V96-K100 WeakPolarHBondContact O-CB 3.28Å; V96-K100 PolarHBondContact O-N 3.21Å
97E96.4Very high96.8Very high88 Ų8893.1 Ų93.141%0.41145%0.453SS..Hα-helixtrans-66.3-41.9178-168.660.5-154.700111.7M93 K94 I99 K100 V101M93-E97 PolarHBondContact O-N 3.35Å; M93-E97 VanDerWaalsContact O-N 3.09Å; K94-E97 PolarHBondContact O-N 3.02Å; E97-I99 PolarHBondContact O-N 3.42Å; E97-K100 PolarHBondContact O-N 2.77Å; E97-K100 IonicContact OE1-NZ 3.21Å; E97-K100 PolarHBondContact OE1-NZ 3.26Å; E97-K100 VanDerWaalsContact OE1-NZ 3.09Å; E97-K100 IonicContact OE2-NZ 3.09Å; E97-K100 PolarHBondContact OE2-NZ 3.11Å; E97-V101 HydrophobicContact CG-CG2 4.32Å; E97-V101 WeakPolarHBondContact O-CB 3.41Å; E97-V101 VanDerWaalsContact O-CG2 3.27Å; E97-V101 WeakPolarHBondContact O-CG2 3.34Å; E97-V101 PolarHBondContact O-N 2.96Å
98E97Very high96.6Very high134 Ų13491.5 Ų91.563%0.62644%0.444SS*.Hα-helixtrans-58.1-47.4174.8-70.8170.4-16700112.2K94 K95 K100 V101 K102K94-E98 PolarHBondContact O-N 3.38Å; K94-E98 VanDerWaalsContact O-N 3.07Å; K95-E98 PolarHBondContact O-N 2.91Å; E98-K100 VanDerWaalsContact C-N 3.34Å; E98-K100 PolarHBondContact O-N 2.84Å; E98-V101 PolarHBondContact O-N 3.21Å; E98-K102 WeakPolarHBondContact O-CB 3.16Å; E98-K102 PolarHBondContact O-N 3.41Å
99I96.8Very high96.6Very high64 Ų6490.8 Ų90.833%0.32845%0.445SS..Hα-helixtrans-61.2-45.9177.7-68.9167.8000110.3K95 V96 E97 K102 R103K95-I99 HydrophobicContact CG-CD1 4.15Å; K95-I99 VanDerWaalsContact O-CG1 3.3Å; K95-I99 WeakPolarHBondContact O-CG1 3.44Å; K95-I99 PolarHBondContact O-N 3.01Å; K95-I99 VanDerWaalsContact O-N 3.09Å; V96-I99 PolarHBondContact O-N 3.16Å; E97-I99 PolarHBondContact O-N 3.42Å; I99-K102 PolarHBondContact O-N 2.78Å; I99-R103 HydrophobicContact CG2-CG 4.45Å; I99-R103 VanDerWaalsContact O-CG 3.31Å; I99-R103 WeakPolarHBondContact O-CG 3.34Å; I99-R103 PolarHBondContact O-N 3.48Å
100K96.2Very high96.5Very high41 Ų4193.6 Ų93.618%0.17846%0.456CS..Hα-helixtrans-61-48.1179.1175.8177.1146.8-1350111.6L69 V96 E97 E98 K102 R103 Q104L69-K100 HydrophobicContact CD2-CD 4Å; L69-K100 HydrophobicContact CD2-CG 4.5Å; V96-K100 VanDerWaalsContact O-CB 3.29Å; V96-K100 WeakPolarHBondContact O-CB 3.28Å; V96-K100 PolarHBondContact O-N 3.21Å; E97-K100 PolarHBondContact O-N 2.77Å; E97-K100 IonicContact OE1-NZ 3.21Å; E97-K100 PolarHBondContact OE1-NZ 3.26Å; E97-K100 VanDerWaalsContact OE1-NZ 3.09Å; E97-K100 IonicContact OE2-NZ 3.09Å; E97-K100 PolarHBondContact OE2-NZ 3.11Å; E98-K100 VanDerWaalsContact C-N 3.34Å; E98-K100 PolarHBondContact O-N 2.84Å; K100-K102 PolarHBondContact O-N 3.5Å; K100-R103 PolarHBondContact O-N 2.77Å; K100-Q104 WeakPolarHBondContact O-CB 3.24Å; K100-Q104 VanDerWaalsContact O-CG 3.29Å; K100-Q104 WeakPolarHBondContact O-CG 3.44Å; K100-Q104 PolarHBondContact O-N 3.02Å
101V96.2Very high96.4Very high78 Ų7894.4 Ų94.447%0.47345%0.451SS..Hα-helixtrans-60.1-46.4178.11700000110.5E97 E98 R103 Q104 A105E97-V101 HydrophobicContact CG-CG2 4.32Å; E97-V101 WeakPolarHBondContact O-CB 3.41Å; E97-V101 VanDerWaalsContact O-CG2 3.27Å; E97-V101 WeakPolarHBondContact O-CG2 3.34Å; E97-V101 PolarHBondContact O-N 2.96Å; E98-V101 PolarHBondContact O-N 3.21Å; V101-R103 PolarHBondContact O-N 3.47Å; V101-Q104 PolarHBondContact O-N 3.27Å; V101-A105 WeakPolarHBondContact O-CB 3.41Å; V101-A105 PolarHBondContact O-N 3.44Å
102K97.1Very high96.3Very high141 Ų14192.2 Ų92.261%0.61344%0.443SS*.Hα-helixtrans-59.7-44.4177.6-174.7174.8-177.8173.10112.4E98 I99 K100 R106E98-K102 WeakPolarHBondContact O-CB 3.16Å; E98-K102 PolarHBondContact O-N 3.41Å; I99-K102 PolarHBondContact O-N 2.78Å; K100-K102 PolarHBondContact O-N 3.5Å; K102-R106 WeakPolarHBondContact O-CB 3.46Å; K102-R106 PolarHBondContact O-N 3.34Å; K102-R106 VanDerWaalsContact O-N 3.07Å
103R96.8Very high96.2Very high101 Ų10196.5 Ų96.538%0.38145%0.453SS..Hα-helixtrans-67.5-42.7178.5-71.2179.6-174.8-175.62.6112.1L63 D66 I99 K100 V101 R106 F107L63-R103 HydrophobicContact CD2-CB 4.09Å; D66-R103 VanDerWaalsContact OD1-CD 3.26Å; D66-R103 WeakPolarHBondContact OD1-CD 3.45Å; D66-R103 IonicContact OD1-CZ 3.9Å; D66-R103 IonicContact OD1-NE 3.76Å; D66-R103 IonicContact OD1-NH1 3.72Å; D66-R103 PolarHBondContact OD1-NH1 3.06Å; D66-R103 IonicContact OD2-NH1 2.8Å; D66-R103 PolarHBondContact OD2-NH1 3.01Å; I99-R103 HydrophobicContact CG2-CG 4.45Å; I99-R103 VanDerWaalsContact O-CG 3.31Å; I99-R103 WeakPolarHBondContact O-CG 3.34Å; I99-R103 PolarHBondContact O-N 3.48Å; K100-R103 PolarHBondContact O-N 2.77Å; V101-R103 PolarHBondContact O-N 3.47Å; R103-R106 PolarHBondContact O-N 2.75Å; R103-F107 PolarHBondContact O-N 3.43Å
104Q95.8Very high96Very high63 Ų6397.4 Ų97.429%0.29445%0.453SS..Hα-helixtrans-63.3-44176.4-73.9-178.8-7.100112L63 K100 V101 R106 F107 I108L63-Q104 HydrophobicContact CB-CG 4.42Å; K100-Q104 WeakPolarHBondContact O-CB 3.24Å; K100-Q104 VanDerWaalsContact O-CG 3.29Å; K100-Q104 WeakPolarHBondContact O-CG 3.44Å; K100-Q104 PolarHBondContact O-N 3.02Å; V101-Q104 PolarHBondContact O-N 3.27Å; Q104-R106 PolarHBondContact O-N 3.16Å; Q104-F107 PolarHBondContact O-N 3.49Å; Q104-I108 WeakPolarHBondContact O-CG1 3.34Å; Q104-I108 PolarHBondContact O-N 3.3Å
105A96.4Very high95.8Very high48 Ų4892.6 Ų92.640%0.39744%0.444SS..Hα-helixtrans-59.6-46.817600000111V101 F107 I108 M109V101-A105 WeakPolarHBondContact O-CB 3.41Å; V101-A105 PolarHBondContact O-N 3.44Å; A105-F107 PolarHBondContact O-N 3.45Å; A105-I108 PolarHBondContact O-N 3.15Å; A105-M109 VanDerWaalsContact O-CG 3.3Å; A105-M109 WeakPolarHBondContact O-CG 3.35Å; A105-M109 PolarHBondContact O-N 3.5Å
106R96.8Very high95.7Very high148 Ų14893.6 Ų93.656%0.55845%0.448SS*.Hα-helixtrans-57.6-45.4175.8-172-176.6-60.6-178.9-3112.4K102 R103 Q104 I108 M109 N110K102-R106 WeakPolarHBondContact O-CB 3.46Å; K102-R106 PolarHBondContact O-N 3.34Å; K102-R106 VanDerWaalsContact O-N 3.07Å; R103-R106 PolarHBondContact O-N 2.75Å; Q104-R106 PolarHBondContact O-N 3.16Å; R106-I108 VanDerWaalsContact C-N 3.33Å; R106-I108 PolarHBondContact O-N 2.88Å; R106-M109 PolarHBondContact O-N 2.68Å; R106-N110 WeakPolarHBondContact O-CB 3.13Å; R106-N110 VanDerWaalsContact O-CG 3.27Å; R106-N110 PolarHBondContact O-N 2.88Å
107F96.6Very high95.6Very high69 Ų6997.3 Ų97.330%0.30346%0.464SS..Hα-helixtrans-59.6-44.1177-178.4-91.7000111.9L63 R103 Q104 A105 R111L63-F107 HydrophobicContact CB-CB 4.39Å; L63-F107 HydrophobicContact CB-CD1 4.5Å; L63-F107 HydrophobicContact CB-CG 4.22Å; L63-F107 HydrophobicContact CD1-CD2 4.01Å; L63-F107 HydrophobicContact CD1-CE2 4.45Å; L63-F107 HydrophobicContact CD1-CG 4.48Å; R103-F107 PolarHBondContact O-N 3.43Å; Q104-F107 PolarHBondContact O-N 3.49Å; A105-F107 PolarHBondContact O-N 3.45Å; F107-R111 PolarHBondContact O-N 3.34Å; F107-R111 VanDerWaalsContact O-N 3.15Å
108I95.3Very high95.6Very high56 Ų5697.6 Ų97.629%0.28747%0.468SS..Hα-helixtrans-65.4-44.6178.2-67.6167.2000110.9Q104 A105 R106 R111 L112Q104-I108 WeakPolarHBondContact O-CG1 3.34Å; Q104-I108 PolarHBondContact O-N 3.3Å; A105-I108 PolarHBondContact O-N 3.15Å; R106-I108 VanDerWaalsContact C-N 3.33Å; R106-I108 PolarHBondContact O-N 2.88Å; I108-R111 WeakPolarHBondContact O-CB 3.08Å; I108-R111 PolarHBondContact O-N 3.34Å; I108-L112 HydrophobicContact CG2-CD1 3.82Å; I108-L112 HydrophobicContact CG2-CG 4.31Å; I108-L112 WeakPolarHBondContact O-CG 3.37Å; I108-L112 PolarHBondContact O-N 3.15Å
109M96.1Very high95.5Very high127 Ų12797.4 Ų97.463%0.62647%0.467SS*.Hα-helixtrans-62.3-45.2179.1-70.9-60.6-74.800112A105 R106 R111 L112 K113A105-M109 VanDerWaalsContact O-CG 3.3Å; A105-M109 WeakPolarHBondContact O-CG 3.35Å; A105-M109 PolarHBondContact O-N 3.5Å; R106-M109 PolarHBondContact O-N 2.68Å; M109-R111 VanDerWaalsContact C-N 3.26Å; M109-R111 PolarHBondContact O-N 2.95Å; M109-L112 PolarHBondContact O-N 3.33Å; M109-L112 VanDerWaalsContact O-N 3.16Å; M109-K113 PolarHBondContact O-N 2.96Å
110N95.4Very high95.4Very high103 Ų103101.4 Ų101.455%0.55148%0.482SS*.Hα-helixtrans-60.1-38.4176.5-72.1-7.7000111.9R106R106-N110 WeakPolarHBondContact O-CB 3.13Å; R106-N110 VanDerWaalsContact O-CG 3.27Å; R106-N110 PolarHBondContact O-N 2.88Å
111R94.5Very high95.4Very high90 Ų90105.4 Ų105.434%0.3450%0.501SS..Hα-helixtrans-66.2-44.6174.8-172.6-164.868.5-158-6.5112K61 F107 I108 M109 K113K61-R111 VanDerWaalsContact CB-NH1 3.31Å; K61-R111 PolarHBondContact O-NH1 3.24Å; F107-R111 PolarHBondContact O-N 3.34Å; F107-R111 VanDerWaalsContact O-N 3.15Å; I108-R111 WeakPolarHBondContact O-CB 3.08Å; I108-R111 PolarHBondContact O-N 3.34Å; M109-R111 VanDerWaalsContact C-N 3.26Å; M109-R111 PolarHBondContact O-N 2.95Å; R111-K113 VanDerWaalsContact C-N 3.32Å; R111-K113 PolarHBondContact O-N 3.16Å
112L94.4Very high95.4Very high96 Ų96108 Ų10850%0.50351%0.508SS..Hα-helixtrans-69.4-28.1-178.3-69.4174.1000112.8I108 M109 K114 G115I108-L112 HydrophobicContact CG2-CD1 3.82Å; I108-L112 HydrophobicContact CG2-CG 4.31Å; I108-L112 WeakPolarHBondContact O-CG 3.37Å; I108-L112 PolarHBondContact O-N 3.15Å; M109-L112 PolarHBondContact O-N 3.33Å; M109-L112 VanDerWaalsContact O-N 3.16Å; L112-K114 PolarHBondContact O-N 2.94Å; L112-K114 VanDerWaalsContact O-N 3.16Å; L112-G115 PolarHBondContact O-N 3Å
113K95.1Very high95.3Very high139 Ų139103.4 Ų103.460%0.60450%0.497SS*.Hα-helixtrans-53-36.3178.8-172177.7-179.9-178.60113.3M109 R111 K116 Q117M109-K113 PolarHBondContact O-N 2.96Å; R111-K113 VanDerWaalsContact C-N 3.32Å; R111-K113 PolarHBondContact O-N 3.16Å; K113-K116 PolarHBondContact O-N 2.67Å; K113-Q117 PolarHBondContact O-N 3.45Å
114K92.7Very high95.2Very high150 Ų150102.5 Ų102.565%0.65250%0.498SS*.Hα-helixtrans-64-38.3178-66.4-172176.4-171.20112.8L112 K116 Q117 L118L112-K114 PolarHBondContact O-N 2.94Å; L112-K114 VanDerWaalsContact O-N 3.16Å; K114-K116 VanDerWaalsContact C-N 3.34Å; K114-K116 PolarHBondContact O-N 2.89Å; K114-Q117 PolarHBondContact O-N 3.14Å; K114-L118 PolarHBondContact O-N 3Å
115G93.8Very high95.2Very high41 Ų41101.7 Ų101.742%0.42350%0.5SS..Hα-helixtrans-63.4-40.7179.100000112.2L112 Q117 L118 E119L112-G115 PolarHBondContact O-N 3Å; G115-Q117 VanDerWaalsContact C-N 3.26Å; G115-Q117 PolarHBondContact O-N 2.82Å; G115-L118 PolarHBondContact O-N 3.49Å; G115-E119 WeakPolarHBondContact O-CB 3.37Å; G115-E119 PolarHBondContact O-N 2.91Å
116K94.1Very high95.1Very high160 Ų160105.2 Ų105.270%0.69651%0.508SS*.Hα-helixtrans-63.4-30.5177.9-171174.5-177.1176.50113.2K113 K114 K120K113-K116 PolarHBondContact O-N 2.67Å; K114-K116 VanDerWaalsContact C-N 3.34Å; K114-K116 PolarHBondContact O-N 2.89Å; K116-K120 PolarHBondContact O-N 3.37Å
117Q94.6Very high94.8Very high106 Ų106101.9 Ų101.950%0.49550%0.504SS..Hα-helixtrans-70-48.6176.5-69.1173.7-34.800110.6K113 K114 G115 E119 K120 E121K113-Q117 PolarHBondContact O-N 3.45Å; K114-Q117 PolarHBondContact O-N 3.14Å; G115-Q117 VanDerWaalsContact C-N 3.26Å; G115-Q117 PolarHBondContact O-N 2.82Å; Q117-E119 PolarHBondContact O-N 3.07Å; Q117-K120 WeakPolarHBondContact O-CB 3.41Å; Q117-K120 PolarHBondContact O-N 3.4Å; Q117-E121 WeakPolarHBondContact O-CG 3.44Å; Q117-E121 PolarHBondContact O-N 3.29Å; Q117-E121 VanDerWaalsContact O-N 3.09Å
118L95.3Very high94.6Very high95 Ų95106 Ų10650%0.49752%0.522SS..Hα-helixtrans-60.7-44.3176.9-64.9173.5000111.8K114 G115 K120 E121 E122K114-L118 PolarHBondContact O-N 3Å; G115-L118 PolarHBondContact O-N 3.49Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 3.19Å; L118-E121 PolarHBondContact O-N 3.35Å; L118-E121 VanDerWaalsContact O-N 3.11Å; L118-E122 WeakPolarHBondContact O-CB 3.45Å; L118-E122 WeakPolarHBondContact O-CG 3.23Å; L118-E122 PolarHBondContact O-N 3Å
119E95.7Very high94.4Very high130 Ų130110.4 Ų110.461%0.60754%0.539SS*.Hα-helixtrans-58.2-40.3176.7-177.2179.4-160.300112G115 Q117 A123G115-E119 WeakPolarHBondContact O-CB 3.37Å; G115-E119 PolarHBondContact O-N 2.91Å; Q117-E119 PolarHBondContact O-N 3.07Å; E119-A123 VanDerWaalsContact O-CB 3.27Å; E119-A123 WeakPolarHBondContact O-CB 3.33Å; E119-A123 PolarHBondContact O-N 2.75Å
120K95.9Very high94.2Very high148 Ų148107.2 Ų107.264%0.64353%0.525SS*.Hα-helixtrans-65.3-42.3176-174.5-178.2178.2-175.60111.7K116 Q117 L118 I124K116-K120 PolarHBondContact O-N 3.37Å; Q117-K120 WeakPolarHBondContact O-CB 3.41Å; Q117-K120 PolarHBondContact O-N 3.4Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 3.19Å; K120-I124 HydrophobicContact CG-CD1 4.18Å; K120-I124 WeakPolarHBondContact O-CD1 3.36Å; K120-I124 VanDerWaalsContact O-CG1 3.25Å; K120-I124 WeakPolarHBondContact O-CG1 3.41Å; K120-I124 PolarHBondContact O-N 2.85Å; K120-I124 VanDerWaalsContact O-N 3.09Å
121E95.5Very high93.8Very high124 Ų124107.4 Ų107.458%0.57952%0.524SS*.Hα-helixtrans-66.6-43.8178.7-70.3167.5-167.300111.5Q117 L118 I124 S125Q117-E121 WeakPolarHBondContact O-CG 3.44Å; Q117-E121 PolarHBondContact O-N 3.29Å; Q117-E121 VanDerWaalsContact O-N 3.09Å; L118-E121 PolarHBondContact O-N 3.35Å; L118-E121 VanDerWaalsContact O-N 3.11Å; E121-I124 PolarHBondContact O-N 3.26Å; E121-S125 WeakPolarHBondContact O-CB 2.96Å; E121-S125 PolarHBondContact O-N 3.42Å
122E95.6Very high93.3Very high132 Ų132109.7 Ų109.762%0.61754%0.539SS*.Hα-helixtrans-61.3-46.7175-73.7175.2177.600111.1L118 I124 S125 E126L118-E122 WeakPolarHBondContact O-CB 3.45Å; L118-E122 WeakPolarHBondContact O-CG 3.23Å; L118-E122 PolarHBondContact O-N 3Å; E122-I124 VanDerWaalsContact C-N 3.34Å; E122-I124 PolarHBondContact O-N 3.45Å; E122-S125 CarbonylContact O-C 3.58Å; E122-S125 WeakPolarHBondContact O-CA 3.07Å; E122-S125 WeakPolarHBondContact O-CB 3.29Å; E122-S125 PolarHBondContact O-N 3.31Å; E122-S125 VanDerWaalsContact O-N 3.07Å; E122-E126 WeakPolarHBondContact O-CB 3.41Å; E122-E126 PolarHBondContact O-N 3.48Å
123A94.7Very high92.8Very high46 Ų46111 Ų11138%0.3855%0.546SS..Hα-helixtrans-60.3-41.6177.200000112.4E119 S125 E126 V127E119-A123 VanDerWaalsContact O-CB 3.27Å; E119-A123 WeakPolarHBondContact O-CB 3.33Å; E119-A123 PolarHBondContact O-N 2.75Å; A123-S125 VanDerWaalsContact C-N 3.33Å; A123-E126 PolarHBondContact O-N 3.09Å; A123-V127 VanDerWaalsContact O-CG2 3.3Å; A123-V127 WeakPolarHBondContact O-CG2 3.46Å; A123-V127 PolarHBondContact O-N 2.97Å
124I94.8Very high92Very high81 Ų81108.9 Ų108.942%0.41554%0.54SS..Hα-helixtrans-64.1-41.2174.5-67.3164.2000110.5K120 E121 E122 K128K120-I124 HydrophobicContact CG-CD1 4.18Å; K120-I124 WeakPolarHBondContact O-CD1 3.36Å; K120-I124 VanDerWaalsContact O-CG1 3.25Å; K120-I124 WeakPolarHBondContact O-CG1 3.41Å; K120-I124 PolarHBondContact O-N 2.85Å; K120-I124 VanDerWaalsContact O-N 3.09Å; E121-I124 PolarHBondContact O-N 3.26Å; E122-I124 VanDerWaalsContact C-N 3.34Å; E122-I124 PolarHBondContact O-N 3.45Å; I124-K128 HydrophobicContact CG2-CD 4.21Å; I124-K128 WeakPolarHBondContact O-CB 3.48Å; I124-K128 VanDerWaalsContact O-CG 3.28Å; I124-K128 WeakPolarHBondContact O-CG 3.46Å; I124-K128 PolarHBondContact O-N 2.96Å; I124-K128 VanDerWaalsContact O-N 3.14Å
125S95.5Very high91.1Very high47 Ų47109.8 Ų109.833%0.32954%0.544SS..Hα-helixtrans-63.6-43177-164.90000111.8E121 E122 A123 K128 K129E121-S125 WeakPolarHBondContact O-CB 2.96Å; E121-S125 PolarHBondContact O-N 3.42Å; E122-S125 CarbonylContact O-C 3.58Å; E122-S125 WeakPolarHBondContact O-CA 3.07Å; E122-S125 WeakPolarHBondContact O-CB 3.29Å; E122-S125 PolarHBondContact O-N 3.31Å; E122-S125 VanDerWaalsContact O-N 3.07Å; A123-S125 VanDerWaalsContact C-N 3.33Å; S125-K128 PolarHBondContact O-N 3.35Å; S125-K129 WeakPolarHBondContact O-CG 3.27Å; S125-K129 PolarHBondContact O-N 3.25Å; S125-K129 WeakPolarHBondContact OG-CE 3.45Å
126E94.7Very high90.2Very high122 Ų122110.7 Ų110.757%0.5755%0.547SS*.Hα-helixtrans-64.4-48.7-179.9-172.9174.4-169.700111.3E122 A123 K128 K129 N130E122-E126 WeakPolarHBondContact O-CB 3.41Å; E122-E126 PolarHBondContact O-N 3.48Å; A123-E126 PolarHBondContact O-N 3.09Å; E126-K128 VanDerWaalsContact C-N 3.28Å; E126-K128 PolarHBondContact O-N 2.95Å; E126-K129 PolarHBondContact O-N 3.48Å; E126-N130 VanDerWaalsContact O-CB 3.3Å; E126-N130 WeakPolarHBondContact O-CB 3.29Å; E126-N130 PolarHBondContact O-N 3.43Å
127V91.2Very high89Confident77 Ų77108.4 Ų108.447%0.46755%0.549SS..Hα-helixtrans-59.7-39.5176.3172.90000111.4A123 I131A123-V127 VanDerWaalsContact O-CG2 3.3Å; A123-V127 WeakPolarHBondContact O-CG2 3.46Å; A123-V127 PolarHBondContact O-N 2.97Å; V127-I131 WeakPolarHBondContact O-CA 3.3Å; V127-I131 WeakPolarHBondContact O-CB 3.35Å; V127-I131 PolarHBondContact O-N 3.39Å; V127-I131 VanDerWaalsContact O-N 3.1Å
128K91.5Very high87.8Confident157 Ų157109.4 Ų109.468%0.68355%0.553SS**Hα-helixtrans-66-43.7177.6-76176.8178.9-175.40112.7I124 S125 E126I124-K128 HydrophobicContact CG2-CD 4.21Å; I124-K128 WeakPolarHBondContact O-CB 3.48Å; I124-K128 VanDerWaalsContact O-CG 3.28Å; I124-K128 WeakPolarHBondContact O-CG 3.46Å; I124-K128 PolarHBondContact O-N 2.96Å; I124-K128 VanDerWaalsContact O-N 3.14Å; S125-K128 PolarHBondContact O-N 3.35Å; E126-K128 VanDerWaalsContact C-N 3.28Å; E126-K128 PolarHBondContact O-N 2.95Å
129K92.5Very high86.5Confident148 Ų148107.7 Ų107.764%0.64355%0.553SS**Hα-helixtrans-72.3-42-179.6-70.8172.1-177.7174.30112S125 E126S125-K129 WeakPolarHBondContact O-CG 3.27Å; S125-K129 PolarHBondContact O-N 3.25Å; S125-K129 WeakPolarHBondContact OG-CE 3.45Å; E126-K129 PolarHBondContact O-N 3.48Å
130N90.9Very high85.1Confident60 Ų60103 Ų10332%0.32154%0.539SS..THydrogen-bonded Turntrans-102.224-171.6-63.4-22.4000112.6E126 H132 L133E126-N130 VanDerWaalsContact O-CB 3.3Å; E126-N130 WeakPolarHBondContact O-CB 3.29Å; E126-N130 PolarHBondContact O-N 3.43Å; N130-H132 PolarHBondContact O-N 3.02Å; N130-H132 VanDerWaalsContact O-N 3.1Å; N130-L133 HydrophobicContact CB-CD1 4.02Å; N130-L133 HydrophobicContact CB-CG 4.44Å; N130-L133 PolarHBondContact O-N 3.16Å
131I86.2Confident83.9Confident106 Ų106101.6 Ų101.654%0.54453%0.533SS..G310 helixtrans-55.6-32.2-179.3-168.261.1000112.5V127 L133 I134V127-I131 WeakPolarHBondContact O-CA 3.3Å; V127-I131 WeakPolarHBondContact O-CB 3.35Å; V127-I131 PolarHBondContact O-N 3.39Å; V127-I131 VanDerWaalsContact O-N 3.1Å; I131-L133 VanDerWaalsContact C-N 3.31Å; I131-L133 PolarHBondContact O-N 2.5Å; I131-I134 PolarHBondContact O-N 3.21Å
132H84.2Confident82.6Confident139 Ų13998.8 Ų98.864%0.64453%0.531SS*.G310 helixtrans-67.6-25.4179.766.7-81.7000114.1N130 I134N130-H132 PolarHBondContact O-N 3.02Å; N130-H132 VanDerWaalsContact O-N 3.1Å; H132-I134 PolarHBondContact O-N 3.23Å
133L84.8Confident81.5Confident124 Ų12499.3 Ų99.365%0.64953%0.531SS*.G310 helixtrans-77.2-15176.9-61.1178.6000112.1N130 I131N130-L133 HydrophobicContact CB-CD1 4.02Å; N130-L133 HydrophobicContact CB-CG 4.44Å; N130-L133 PolarHBondContact O-N 3.16Å; I131-L133 VanDerWaalsContact C-N 3.31Å; I131-L133 PolarHBondContact O-N 2.5Å
134I77.8Confident80.6Confident93 Ų93104.6 Ų104.648%0.47755%0.545SS..SBendtrans-102.8110.5-177.3-53.1174.4000107.8I131 H132 A136I131-I134 PolarHBondContact O-N 3.21Å; H132-I134 PolarHBondContact O-N 3.23Å; I134-A136 PolarHBondContact O-N 2.87Å
135K75Confident79.8Confident169 Ų169106 Ų10674%0.73555%0.553SS**  trans-61.9127.9169-163.6170.4-172.1173.30107.9A139K135-A139 HydrophobicContact CG-CB 4.19Å
136A74.7Confident78.9Confident60 Ų60109.2 Ų109.250%0.49656%0.563SS.*  trans-52.6136.5-176.100000110.1I134 H138 A139I134-A136 PolarHBondContact O-N 2.87Å; A136-H138 PolarHBondContact O-N 2.8Å; A136-A139 HydrophobicContact CB-CB 3.93Å; A136-A139 WeakPolarHBondContact O-CB 3.5Å; A136-A139 PolarHBondContact O-N 3.09Å
137P68.9Low78.2Confident113 Ų113108 Ų10873%0.73456%0.561SS**THydrogen-bonded Turntrans-59.7-14.4-169.917.5-29.1000114.4
138H68Low77.9Confident127 Ų127111.7 Ų111.759%0.58857%0.57SS**THydrogen-bonded Turntrans-109.3-7.3175.2-70.3-98.6000114.7A136 G140 K141A136-H138 PolarHBondContact O-N 2.8Å; H138-G140 PolarHBondContact O-N 3.46Å; H138-K141 PolarHBondContact CE1-NZ 3.46Å; H138-K141 PolarHBondContact O-N 3.07Å
139A68.9Low77.2Confident59 Ų59110.3 Ų110.349%0.48857%0.568SS.*THydrogen-bonded Turntrans-67.8-3.8-17500000114.9K135 A136K135-A139 HydrophobicContact CG-CB 4.19Å; A136-A139 HydrophobicContact CB-CB 3.93Å; A136-A139 WeakPolarHBondContact O-CB 3.5Å; A136-A139 PolarHBondContact O-N 3.09Å
140G66.4Low76.6Confident31 Ų31107.1 Ų107.132%0.3256%0.561SS.*THydrogen-bonded Turntrans-118-317000000114.4H138 K144H138-G140 PolarHBondContact O-N 3.46Å; G140-K144 WeakPolarHBondContact O-CB 3.38Å; G140-K144 WeakPolarHBondContact O-CG 3.26Å; G140-K144 PolarHBondContact O-N 3.18Å; G140-K144 VanDerWaalsContact O-N 3.11Å
141K70.4Confident76.1Confident118 Ų118110.1 Ų110.151%0.51357%0.573SS.*Hα-helixtrans-76.8-41.1-177.4-79-176.6-179.21740112.1H138 K144 L145H138-K141 PolarHBondContact CE1-NZ 3.46Å; H138-K141 PolarHBondContact O-N 3.07Å; K141-K144 PolarHBondContact O-N 3.4Å; K141-L145 WeakPolarHBondContact O-CB 3.48Å; K141-L145 PolarHBondContact O-N 3.38Å
142A68.6Low75.8Confident65 Ų65113.5 Ų113.554%0.53758%0.579SS.*Hα-helixtrans-61.3-51.7176.200000111.1K144 L145 E146A142-K144 PolarHBondContact O-N 3.35Å; A142-L145 WeakPolarHBondContact O-CA 3.35Å; A142-L145 WeakPolarHBondContact O-CB 3.31Å; A142-L145 PolarHBondContact O-N 3.37Å; A142-E146 PolarHBondContact O-N 3.44Å
143K71.7Confident75.5Confident143 Ų143112.2 Ų112.262%0.62258%0.576SS**Hα-helixtrans-55.1-46.1173.3-95.2-169.9169.4-169.20113.4L145 E146 D147K143-L145 PolarHBondContact O-N 3.02Å; K143-E146 PolarHBondContact O-N 2.92Å; K143-D147 WeakPolarHBondContact O-CB 3.3Å; K143-D147 PolarHBondContact O-N 3.09Å
144K76.8Confident74.9Confident157 Ų157111.9 Ų111.968%0.68357%0.571SS**Hα-helixtrans-62.5-27175.8-86.7-175174-172.40114.2G140 K141 A142 K148G140-K144 WeakPolarHBondContact O-CB 3.38Å; G140-K144 WeakPolarHBondContact O-CG 3.26Å; G140-K144 PolarHBondContact O-N 3.18Å; G140-K144 VanDerWaalsContact O-N 3.11Å; K141-K144 PolarHBondContact O-N 3.4Å; A142-K144 PolarHBondContact O-N 3.35Å; K144-K148 WeakPolarHBondContact O-CB 3.1Å; K144-K148 PolarHBondContact O-N 2.96Å
145L77.8Confident74.6Confident111 Ų111113 Ų11358%0.58158%0.575SS**Hα-helixtrans-82.6-39.2-179.6-145.2145.5000110.1K141 A142 K143 K148 M149K141-L145 WeakPolarHBondContact O-CB 3.48Å; K141-L145 PolarHBondContact O-N 3.38Å; A142-L145 WeakPolarHBondContact O-CA 3.35Å; A142-L145 WeakPolarHBondContact O-CB 3.31Å; A142-L145 PolarHBondContact O-N 3.37Å; K143-L145 PolarHBondContact O-N 3.02Å; L145-K148 PolarHBondContact O-N 3.3Å; L145-M149 PolarHBondContact O-N 3.43Å
146E75.8Confident74.4Confident114 Ų114110 Ų11053%0.53357%0.567SS.*Hα-helixtrans-60.3-50.9168-71.6171.6165.900111.2A142 K143 K148 M149 V150A142-E146 PolarHBondContact O-N 3.44Å; K143-E146 PolarHBondContact O-N 2.92Å; E146-K148 PolarHBondContact O-N 2.94Å; E146-M149 WeakPolarHBondContact O-CB 3.43Å; E146-M149 PolarHBondContact O-N 3.21Å; E146-V150 WeakPolarHBondContact O-CG2 3.3Å; E146-V150 PolarHBondContact O-N 3.43Å
147D81.1Confident74.1Confident98 Ų98111.3 Ų111.352%0.52457%0.568SS.*Hα-helixtrans-57.5-37.4177.5-64.6-26.3000111.6K143 Q151K143-D147 WeakPolarHBondContact O-CB 3.3Å; K143-D147 PolarHBondContact O-N 3.09Å; D147-Q151 PolarHBondContact O-N 3.41Å
148K83.1Confident73.6Confident153 Ų153112 Ų11267%0.66556%0.562SS**Hα-helixtrans-69.8-36.8174.6-100.2-175.1171.4-172.20113.6K144 L145 E146 R152K144-K148 WeakPolarHBondContact O-CB 3.1Å; K144-K148 PolarHBondContact O-N 2.96Å; L145-K148 PolarHBondContact O-N 3.3Å; E146-K148 PolarHBondContact O-N 2.94Å; K148-R152 WeakPolarHBondContact O-CB 3.43Å; K148-R152 PolarHBondContact O-N 3.31Å; K148-R152 VanDerWaalsContact O-N 3.13Å
149M77.3Confident73.2Confident128 Ų128112.4 Ų112.463%0.63157%0.565SS**Hα-helixtrans-68.6-40.4175.5-87.2179.7147.600111L145 E146 R152 L153L145-M149 PolarHBondContact O-N 3.43Å; E146-M149 WeakPolarHBondContact O-CB 3.43Å; E146-M149 PolarHBondContact O-N 3.21Å; M149-R152 PolarHBondContact O-N 3.43Å; M149-L153 PolarHBondContact O-N 3.36Å
150V81.2Confident72.7Confident82 Ų82111.7 Ų111.750%0.49756%0.563SS.*Hα-helixtrans-64.7-45.8176175.20000110.9E146 R152 L153 Q154E146-V150 WeakPolarHBondContact O-CG2 3.3Å; E146-V150 PolarHBondContact O-N 3.43Å; V150-R152 VanDerWaalsContact C-N 3.32Å; V150-R152 PolarHBondContact O-N 2.97Å; V150-L153 PolarHBondContact O-N 3.35Å; V150-Q154 WeakPolarHBondContact O-CB 3.32Å; V150-Q154 PolarHBondContact O-N 3.47Å
151Q80.1Confident72.1Confident123 Ų123116.3 Ų116.358%0.57558%0.581SS**Hα-helixtrans-56.7-45.3174-92.8-175.3-34.600112.7D147 Q154 E155D147-Q151 PolarHBondContact O-N 3.41Å; Q151-Q154 PolarHBondContact O-N 3.33Å; Q151-Q154 VanDerWaalsContact O-N 3.16Å; Q151-E155 WeakPolarHBondContact O-CG 3.26Å; Q151-E155 PolarHBondContact O-N 3.07Å
152R80.1Confident71.2Confident176 Ų176118.6 Ų118.666%0.66459%0.593SS**Hα-helixtrans-65.8-40.8-179.5-166.6-178.3-88.1-177.6-15.1111.9K148 M149 V150 Q154 E155 D156K148-R152 WeakPolarHBondContact O-CB 3.43Å; K148-R152 PolarHBondContact O-N 3.31Å; K148-R152 VanDerWaalsContact O-N 3.13Å; M149-R152 PolarHBondContact O-N 3.43Å; V150-R152 VanDerWaalsContact C-N 3.32Å; V150-R152 PolarHBondContact O-N 2.97Å; R152-Q154 VanDerWaalsContact C-N 3.25Å; R152-Q154 PolarHBondContact O-N 3.05Å; R152-E155 PolarHBondContact O-N 3.08Å; R152-D156 WeakPolarHBondContact O-CB 3.43Å; R152-D156 PolarHBondContact O-N 2.96Å
153L76.8Confident70.4Confident112 Ų112122.5 Ų122.559%0.58661%0.605SS**Hα-helixtrans-62.2-33.2172.8-83.2160.8000112.7M149 V150 V157M149-L153 PolarHBondContact O-N 3.36Å; V150-L153 PolarHBondContact O-N 3.35Å; L153-V157 WeakPolarHBondContact O-CG2 3.29Å; L153-V157 PolarHBondContact O-N 3.34Å; L153-V157 VanDerWaalsContact O-N 3.12Å
154Q72.3Confident69Low118 Ų118126.2 Ų126.255%0.55163%0.632SS**Hα-helixtrans-75.9-38.5-179.5-149.4153.9-3.700111.5V150 Q151 R152 V157 E158V150-Q154 WeakPolarHBondContact O-CB 3.32Å; V150-Q154 PolarHBondContact O-N 3.47Å; Q151-Q154 PolarHBondContact O-N 3.33Å; Q151-Q154 VanDerWaalsContact O-N 3.16Å; R152-Q154 VanDerWaalsContact C-N 3.25Å; R152-Q154 PolarHBondContact O-N 3.05Å; Q154-V157 PolarHBondContact O-N 3.46Å; Q154-E158 PolarHBondContact O-N 2.91Å
155E72.7Confident68.6Low117 Ų117124.7 Ų124.755%0.54763%0.629SS.*Hα-helixtrans-62.8-40.1169.2-72172.2172.200111.9Q151 R152 V157 M159Q151-E155 WeakPolarHBondContact O-CG 3.26Å; Q151-E155 PolarHBondContact O-N 3.07Å; R152-E155 PolarHBondContact O-N 3.08Å; E155-V157 VanDerWaalsContact C-N 3.31Å; E155-V157 PolarHBondContact O-N 3.19Å; E155-M159 WeakPolarHBondContact O-CB 3.49Å; E155-M159 VanDerWaalsContact O-CG 3.27Å; E155-M159 WeakPolarHBondContact O-CG 3.25Å; E155-M159 PolarHBondContact O-N 3.14Å; E155-M159 VanDerWaalsContact O-N 3.1Å
156D71.1Confident68.1Low106 Ų106125.4 Ų125.457%0.56763%0.632SS**Hα-helixtrans-68.9-27.5177.8-68-27000112.6R152R152-D156 WeakPolarHBondContact O-CB 3.43Å; R152-D156 PolarHBondContact O-N 2.96Å
157V67.4Low67.7Low87 Ų87126.1 Ų126.153%0.52764%0.637SS.*Hα-helixtrans-80.9-43175.1170.70000111.3L153 Q154 E155 M159 G160 D161L153-V157 WeakPolarHBondContact O-CG2 3.29Å; L153-V157 PolarHBondContact O-N 3.34Å; L153-V157 VanDerWaalsContact O-N 3.12Å; Q154-V157 PolarHBondContact O-N 3.46Å; E155-V157 VanDerWaalsContact C-N 3.31Å; E155-V157 PolarHBondContact O-N 3.19Å; V157-M159 VanDerWaalsContact C-N 3.28Å; V157-M159 PolarHBondContact O-N 3.34Å; V157-G160 PolarHBondContact O-N 3.29Å; V157-D161 PolarHBondContact O-N 3.01Å
158E59.3Low66.9Low128 Ų128127.7 Ų127.760%0.59864%0.644SS**Hα-helixtrans-62-34.2175.9-79178.8167.600112.4Q154 G160Q154-E158 PolarHBondContact O-N 2.91Å; E158-G160 VanDerWaalsContact C-N 3.3Å; E158-G160 PolarHBondContact O-N 2.69Å
159M59Low65.9Low135 Ų135126.1 Ų126.167%0.66564%0.643SS**THydrogen-bonded Turntrans-71.5-20.3173.7-74.1-94.6-62.400114E155 V157E155-M159 WeakPolarHBondContact O-CB 3.49Å; E155-M159 VanDerWaalsContact O-CG 3.27Å; E155-M159 WeakPolarHBondContact O-CG 3.25Å; E155-M159 PolarHBondContact O-N 3.14Å; E155-M159 VanDerWaalsContact O-N 3.1Å; V157-M159 VanDerWaalsContact C-N 3.28Å; V157-M159 PolarHBondContact O-N 3.34Å
160G58.1Low65.1Low43 Ų43126 Ų12644%0.44364%0.644SS.*THydrogen-bonded Turntrans-87.4-22.6178.800000113.9V157 E158V157-G160 PolarHBondContact O-N 3.29Å; E158-G160 VanDerWaalsContact C-N 3.3Å; E158-G160 PolarHBondContact O-N 2.69Å
161D54Low64Low129 Ų129129.1 Ų129.169%0.6965%0.654SS**SBendtrans-88.5-7.8179-70-30000112.9V157V157-D161 PolarHBondContact O-N 3.01Å
162E51.5Low62.7Low166 Ų166129.6 Ų129.678%0.77666%0.66SS**SBendtrans-90.6-7.1175.5-73.7-172.6162.900113.9
163D50.4Low61.3Low146 Ų146125.8 Ų125.878%0.78166%0.66SS**  trans-103.16.8-174.8-83.2-26.9000114.9
164D42.7Very low59.9Low222 Ų222127 Ų127100%1.18767%0.667SS**  trans-108.10176.2-98.9-19.9000114.2

Retrieved 164 of 164 residues in 107.4 ms (Link to these results)

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