A0A3Q0KQB2_SCHMA Loading...

Probable ribosome biogenesis protein RLP24

AlphaFold DB , UniProt , Accession A0A3Q0KQB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 194 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M90.4Very high95.5Very high201 Ų20176.4 Ų76.499%0.9935%0.345SS*.  01340-170.7174167.700109.7P15M1-P15 HydrophobicContact CE-CB 3.81Å; M1-P15 HydrophobicContact CE-CG 3.3Å; M1-P15 HydrophobicContact CG-CG 3.5Å; M1-P15 VanDerWaalsContact CG-CG 3.5Å; M1-P15 HydrophobicContact SD-CG 4.09Å
2R92.5Very high95.7Very high137 Ų13774.3 Ų74.352%0.51735%0.345SS..  trans-116.8130.2-176.1-178170.5-179.484.73.2111.5Y4R2-Y4 HydrophobicContact CB-CE2 4.13Å; R2-Y4 HydrophobicContact CG-CD2 4.44Å; R2-Y4 HydrophobicContact CG-CE1 4.23Å; R2-Y4 HydrophobicContact CG-CE2 4.12Å
3I96Very high95.8Very high82 Ų8269.8 Ų69.842%0.42132%0.324SS..PPolyproline II helixtrans-88.4117.7170.6-57.5170.6000107.9P12 Y14I3-P12 HydrophobicContact CG2-CB 3.57Å; I3-Y14 HydrophobicContact CD1-CD1 4.16Å; I3-Y14 HydrophobicContact CD1-CE1 3.65Å; I3-Y14 HydrophobicContact CG1-CD1 4.11Å; I3-Y14 HydrophobicContact CG1-CE1 4.11Å
4Y95.9Very high95.9Very high86 Ų8673.9 Ų73.934%0.33734%0.336SS..EExtended strand (participates in β ladder)trans-89.2164.2176.4-68.8-84.3000110.7R2 P12 I13R2-Y4 HydrophobicContact CB-CE2 4.13Å; R2-Y4 HydrophobicContact CG-CD2 4.44Å; R2-Y4 HydrophobicContact CG-CE1 4.23Å; R2-Y4 HydrophobicContact CG-CE2 4.12Å; Y4-P12 CarbonylContact O-C 3.49Å; Y4-P12 WeakPolarHBondContact O-CA 3.3Å; Y4-I13 PolarHBondContact N-O 2.95Å; Y4-I13 VanDerWaalsContact N-O 3.14Å; Y4-I13 PolarHBondContact O-N 3.45Å
5R96.2Very high96Very high141 Ų14173.2 Ų73.253%0.53234%0.342SS..EExtended strand (participates in β ladder)trans-103.8136.9169.2-59.5-61.9-179.3174.5-1.5108.6
6C97.5Very high95.9Very high3 Ų374.3 Ų74.32%0.0238%0.379CS..PPolyproline II helixtrans-66.3137.1174.6173.80000111.2F8 C9 S10 S11 I13 R30 F31 C32C6-F8 VanDerWaalsContact C-N 3.33Å; C6-F8 PolarHBondContact O-N 2.93Å; C6-F8 PolarHBondContact SG-N 3Å; C6-C9 HydrophobicContact CB-CB 4.42Å; C6-C9 WeakPolarHBondContact CB-SG 3.37Å; C6-C9 PolarHBondContact SG-N 3.42Å; C6-C9 PolarHBondContact SG-SG 3.07Å; C6-S10 WeakPolarHBondContact O-CA 3.5Å; C6-S10 PolarHBondContact O-N 3.12Å; C6-S11 PolarHBondContact N-O 2.8Å; C6-I13 HydrophobicContact CB-CD1 3.83Å; C6-I13 HydrophobicContact CB-CG1 4.12Å; C6-R30 CarbonylContact C-O 3.58Å; C6-R30 WeakPolarHBondContact CA-O 3.47Å; C6-R30 PolarHBondContact SG-O 3.44Å; C6-F31 VanDerWaalsContact SG-CA 3.6Å; C6-C32 HydrophobicContact CB-CB 3.75Å; C6-C32 PolarHBondContact SG-N 2.69Å; C6-C32 VanDerWaalsContact SG-SG 3.68Å
7W97.2Very high95.9Very high108 Ų10877.9 Ų77.941%0.40939%0.394SS..THydrogen-bonded Turntrans-58.4-40.8177.5-174.186000113.6F29 R30 F31 F40 P46W7-F29 HydrophobicContact CB-CD1 4.43Å; W7-F29 AromaticContact CD1-CD1 3.46Å; W7-F29 VanDerWaalsContact CD1-CD1 3.46Å; W7-F29 AromaticContact CD1-CE1 3.82Å; W7-F29 AromaticContact CD2-CD1 3.83Å; W7-F29 HydrophobicContact CD2-CD1 3.83Å; W7-F29 HydrophobicContact CD2-CE1 4.27Å; W7-F29 AromaticContact CE2-CD1 3.7Å; W7-F29 AromaticContact CE2-CE1 3.65Å; W7-F29 AromaticContact CG-CD1 3.66Å; W7-F29 HydrophobicContact CG-CD1 3.66Å; W7-F29 HydrophobicContact CG-CE1 4.34Å; W7-F29 HydrophobicContact CZ2-CD1 4.43Å; W7-F29 HydrophobicContact CZ2-CE1 4.08Å; W7-F29 AromaticContact NE1-CD1 3.47Å; W7-F29 AromaticContact NE1-CE1 3.36Å; W7-R30 PolarHBondContact N-O 3.34Å; W7-F31 HydrophobicContact CB-CE1 4.31Å; W7-F31 HydrophobicContact CE3-CE1 4.09Å; W7-F40 AromaticContact CE3-CD2 3.73Å; W7-F40 HydrophobicContact CE3-CD2 3.73Å; W7-F40 HydrophobicContact CE3-CE2 4.14Å; W7-F40 AromaticContact CH2-CD2 3.71Å; W7-F40 HydrophobicContact CH2-CD2 3.71Å; W7-F40 AromaticContact CH2-CE2 3.74Å; W7-F40 HydrophobicContact CH2-CE2 3.74Å; W7-F40 HydrophobicContact CZ2-CD2 4.48Å; W7-F40 HydrophobicContact CZ2-CE2 4.13Å; W7-F40 AromaticContact CZ3-CD2 3.31Å; W7-F40 HydrophobicContact CZ3-CD2 3.31Å; W7-F40 AromaticContact CZ3-CE2 3.78Å; W7-F40 HydrophobicContact CZ3-CE2 3.78Å; W7-F40 HydrophobicContact CZ3-CG 4.42Å; W7-P46 HydrophobicContact CE3-CG 4.27Å; W7-P46 HydrophobicContact CH2-CG 3.99Å; W7-P46 HydrophobicContact CZ3-CG 3.62Å
8F97.7Very high95.9Very high1 Ų175.9 Ų75.90%0.00440%0.396CS..THydrogen-bonded Turntrans-87.6-52-176.8-162.7-85000113.2C6 F31 C36 A39 K44 P46 V49 W51 T52C6-F8 VanDerWaalsContact C-N 3.33Å; C6-F8 PolarHBondContact O-N 2.93Å; C6-F8 PolarHBondContact SG-N 3Å; F8-F31 HydrophobicContact CB-CD1 4.42Å; F8-F31 HydrophobicContact CB-CE1 4.49Å; F8-C36 HydrophobicContact CB-CB 3.89Å; F8-C36 HydrophobicContact CD1-CB 4.49Å; F8-C36 HydrophobicContact CG-CB 4.36Å; F8-A39 HydrophobicContact CD2-CB 4.23Å; F8-A39 HydrophobicContact CE1-CB 4.01Å; F8-A39 HydrophobicContact CE2-CB 3.6Å; F8-A39 HydrophobicContact CZ-CB 3.47Å; F8-A39 VanDerWaalsContact CZ-CB 3.47Å; F8-K44 HydrophobicContact CE2-CB 4.23Å; F8-K44 WeakPolarHBondContact CE2-O 3.15Å; F8-K44 HydrophobicContact CZ-CB 4.27Å; F8-P46 HydrophobicContact CD2-CB 4.41Å; F8-P46 HydrophobicContact CD2-CG 3.75Å; F8-P46 HydrophobicContact CE2-CB 4.49Å; F8-P46 HydrophobicContact CE2-CG 3.96Å; F8-P46 HydrophobicContact CG-CG 4.32Å; F8-V49 HydrophobicContact CE1-CB 4.45Å; F8-V49 HydrophobicContact CE1-CG1 4.18Å; F8-V49 HydrophobicContact CZ-CB 4.32Å; F8-V49 HydrophobicContact CZ-CG1 4.38Å; F8-V49 HydrophobicContact CZ-CG2 3.99Å; F8-W51 AromaticContact CD1-CH2 3.67Å; F8-W51 HydrophobicContact CD1-CH2 3.67Å; F8-W51 AromaticContact CD1-CZ2 3.9Å; F8-W51 HydrophobicContact CD1-CZ2 3.9Å; F8-W51 AromaticContact CE1-CH2 3.8Å; F8-W51 HydrophobicContact CE1-CH2 3.8Å; F8-W51 AromaticContact CE1-CZ2 3.52Å; F8-W51 HydrophobicContact CE1-CZ2 3.52Å; F8-T52 HydrophobicContact CD1-CG2 3.78Å; F8-T52 HydrophobicContact CE1-CG2 3.6Å; F8-T52 WeakPolarHBondContact O-CG2 3.38Å
9C96Very high95.9Very high3 Ų375.8 Ų75.82%0.0240%0.395CS..THydrogen-bonded Turntrans-88.3-22.7-171.669.30000113C6 S11 C32 W51C6-C9 HydrophobicContact CB-CB 4.42Å; C6-C9 WeakPolarHBondContact CB-SG 3.37Å; C6-C9 PolarHBondContact SG-N 3.42Å; C6-C9 PolarHBondContact SG-SG 3.07Å; C9-S11 PolarHBondContact O-N 3.1Å; C9-S11 WeakPolarHBondContact SG-CB 3.27Å; C9-S11 PolarHBondContact SG-N 2.97Å; C9-S11 VanDerWaalsContact SG-N 3.41Å; C9-S11 PolarHBondContact SG-OG 3.27Å; C9-C32 WeakPolarHBondContact CB-SG 3.49Å; C9-C32 WeakPolarHBondContact SG-CB 3.46Å; C9-C32 CovalentContact SG-SG 2.1Å; C9-C32 PolarHBondContact SG-SG 3.01Å; C9-W51 HydrophobicContact CB-CH2 4.09Å; C9-W51 HydrophobicContact CB-CZ3 3.65Å
10S95.7Very high96Very high39 Ų3975.9 Ų75.927%0.27340%0.395SS..  trans57.810.5-165.7-38.30000115.4C6C6-S10 WeakPolarHBondContact O-CA 3.5Å; C6-S10 PolarHBondContact O-N 3.12Å
11S95.8Very high96Very high39 Ų3976.1 Ų76.127%0.27339%0.393SS..  trans-66.7153.6170.1-52.70000111C6 C9C6-S11 PolarHBondContact N-O 2.8Å; C9-S11 PolarHBondContact O-N 3.1Å; C9-S11 WeakPolarHBondContact SG-CB 3.27Å; C9-S11 PolarHBondContact SG-N 2.97Å; C9-S11 VanDerWaalsContact SG-N 3.41Å; C9-S11 PolarHBondContact SG-OG 3.27Å
12P97Very high96.3Very high52 Ų5270.4 Ų70.434%0.33837%0.37SS..EExtended strand (participates in β ladder)trans-62.2145.7172.527.6-34000111.3I3 Y4 Y14I3-P12 HydrophobicContact CG2-CB 3.57Å; Y4-P12 CarbonylContact O-C 3.49Å; Y4-P12 WeakPolarHBondContact O-CA 3.3Å; P12-Y14 HydrophobicContact CB-CE2 4.45Å; P12-Y14 HydrophobicContact CG-CE2 4.43Å
13I97.7Very high96.5Very high15 Ų1568.2 Ų68.28%0.07736%0.361CS..EExtended strand (participates in β ladder)trans-118.4112.8172.2-58.8176.7000106.4Y4 C6 H17 R30 C32Y4-I13 PolarHBondContact N-O 2.95Å; Y4-I13 VanDerWaalsContact N-O 3.14Å; Y4-I13 PolarHBondContact O-N 3.45Å; C6-I13 HydrophobicContact CB-CD1 3.83Å; C6-I13 HydrophobicContact CB-CG1 4.12Å; I13-H17 VanDerWaalsContact CG2-O 3.27Å; I13-H17 WeakPolarHBondContact CG2-O 3.2Å; I13-R30 HydrophobicContact CD1-CB 3.71Å; I13-C32 HydrophobicContact CG1-CB 4.15Å
14Y97.1Very high96.6Very high127 Ų12772 Ų7250%0.49838%0.382SS..  trans-79.7150.4171.3-65.7-83.1000109.8I3 P12 H17I3-Y14 HydrophobicContact CD1-CD1 4.16Å; I3-Y14 HydrophobicContact CD1-CE1 3.65Å; I3-Y14 HydrophobicContact CG1-CD1 4.11Å; I3-Y14 HydrophobicContact CG1-CE1 4.11Å; P12-Y14 HydrophobicContact CB-CE2 4.45Å; P12-Y14 HydrophobicContact CG-CE2 4.43Å; Y14-H17 WeakPolarHBondContact O-CB 3.46Å; Y14-H17 PolarHBondContact O-N 2.9Å; Y14-H17 VanDerWaalsContact O-N 3.14Å
15P97Very high96.7Very high64 Ų6472.5 Ų72.542%0.41639%0.391SS..THydrogen-bonded Turntrans-52.4144.2172.3-29.438.8000112.6M1 H17M1-P15 HydrophobicContact CE-CB 3.81Å; M1-P15 HydrophobicContact CE-CG 3.3Å; M1-P15 HydrophobicContact CG-CG 3.5Å; M1-P15 VanDerWaalsContact CG-CG 3.5Å; M1-P15 HydrophobicContact SD-CG 4.09Å; P15-H17 PolarHBondContact O-N 3.39Å
16G94.9Very high96.7Very high91 Ų9171 Ų7194%0.93840%0.401SS*.THydrogen-bonded Turntrans79-5.1-172.900000114.8
17H96Very high96.7Very high136 Ų13676.3 Ų76.363%0.6342%0.424SS*.  trans-112.4149.5179-69.4-77.6000113.9I13 Y14 P15I13-H17 VanDerWaalsContact CG2-O 3.27Å; I13-H17 WeakPolarHBondContact CG2-O 3.2Å; Y14-H17 WeakPolarHBondContact O-CB 3.46Å; Y14-H17 PolarHBondContact O-N 2.9Å; Y14-H17 VanDerWaalsContact O-N 3.14Å; P15-H17 PolarHBondContact O-N 3.39Å
18G95.4Very high96.6Very high42 Ų4276.6 Ų76.643%0.43343%0.43SS..SBendtrans89.1-162.4169.500000113.9F31G18-F31 CarbonylContact C-O 3.59Å; G18-F31 WeakPolarHBondContact CA-O 3.1Å
19I96.5Very high96.6Very high73 Ų7377.2 Ų77.237%0.37443%0.432SS..EExtended strand (participates in β ladder)trans-135.6139.2-178.2-56168.9000107.8F31 H37I19-F31 PolarHBondContact N-O 3.29Å; I19-F31 VanDerWaalsContact N-O 3.09Å; I19-F31 PolarHBondContact O-N 2.75Å; I19-H37 HydrophobicContact CD1-CB 4.15Å
20L96.8Very high96.7Very high77 Ų7780.1 Ų80.140%0.40344%0.443SS..EExtended strand (participates in β ladder)trans-110.7124.5173-177.9144.5000108.8V22 R30L20-V22 HydrophobicContact CD2-CG2 3.35Å; L20-R30 HydrophobicContact CD1-CG 3.96Å; L20-R30 HydrophobicContact CG-CG 4.36Å
21F96.8Very high96.8Very high81 Ų8178.2 Ų78.236%0.35543%0.43SS..EExtended strand (participates in β ladder)trans-111.9121.3173.6172.5-111.1000108.5R23 F29 F31 F40F21-R23 HydrophobicContact CE1-CB 4.16Å; F21-F29 HydrophobicContact CB-CB 4.4Å; F21-F29 HydrophobicContact CD1-CB 4.36Å; F21-F29 AromaticContact CD1-CD2 3.83Å; F21-F29 HydrophobicContact CD1-CD2 3.83Å; F21-F29 HydrophobicContact CD1-CG 4.46Å; F21-F29 HydrophobicContact CE1-CD2 4.33Å; F21-F29 PolarHBondContact N-O 2.77Å; F21-F29 PolarHBondContact O-N 3.48Å; F21-F31 HydrophobicContact CB-CE2 3.98Å; F21-F40 AromaticContact CD1-CE1 3.58Å; F21-F40 HydrophobicContact CD1-CE1 3.58Å; F21-F40 HydrophobicContact CD1-CZ 4.19Å; F21-F40 AromaticContact CE1-CE1 3.74Å; F21-F40 HydrophobicContact CE1-CE1 3.74Å; F21-F40 HydrophobicContact CE1-CZ 4.26Å
22V97.3Very high96.9Very high82 Ų8277.6 Ų77.650%0.49743%0.425SS..EExtended strand (participates in β ladder)trans-98.5123.8173.7-172.70000107.9L20L20-V22 HydrophobicContact CD2-CG2 3.35Å
23R96.8Very high96.8Very high90 Ų9080 Ų8034%0.3443%0.427SS..EExtended strand (participates in β ladder)trans-88.4154.6171.9-172.6173.471.8-178.511.9109.8F21 D25 C26 K27 F29F21-R23 HydrophobicContact CE1-CB 4.16Å; R23-D25 IonicContact CZ-OD2 3.11Å; R23-D25 IonicContact NE-OD2 2.92Å; R23-D25 PolarHBondContact NE-OD2 3.4Å; R23-D25 IonicContact NH2-OD2 2.66Å; R23-D25 PolarHBondContact NH2-OD2 3.32Å; R23-D25 PolarHBondContact O-N 3.23Å; R23-C26 WeakPolarHBondContact O-CA 3.48Å; R23-C26 PolarHBondContact O-N 3Å; R23-K27 PolarHBondContact N-O 3.32Å; R23-F29 HydrophobicContact CB-CD2 4.41Å; R23-F29 HydrophobicContact CB-CE2 3.9Å
24N97Very high96.8Very high161 Ų16180.9 Ų80.986%0.86144%0.441SS*.THydrogen-bonded Turntrans-49.2-33.7-179.3-60.85.2000114.2C26N24-C26 PolarHBondContact O-N 3.48Å
25D97.8Very high96.8Very high97 Ų9780.8 Ų80.852%0.51944%0.443SS..THydrogen-bonded Turntrans-71.820.3174.1-32.2-25.4000114.6R23 K27R23-D25 IonicContact CZ-OD2 3.11Å; R23-D25 IonicContact NE-OD2 2.92Å; R23-D25 PolarHBondContact NE-OD2 3.4Å; R23-D25 IonicContact NH2-OD2 2.66Å; R23-D25 PolarHBondContact NH2-OD2 3.32Å; R23-D25 PolarHBondContact O-N 3.23Å; D25-K27 HydrophobicContact CB-CG 4.34Å; D25-K27 PolarHBondContact O-N 2.96Å; D25-K27 VanDerWaalsContact O-N 3.08Å
26C96.5Very high96.8Very high111 Ų11177.7 Ų77.775%0.7542%0.423SS*.THydrogen-bonded Turntrans56.122.6-173.4-58.20000114.6R23 N24R23-C26 WeakPolarHBondContact O-CA 3.48Å; R23-C26 PolarHBondContact O-N 3Å; N24-C26 PolarHBondContact O-N 3.48Å
27K97.1Very high96.9Very high114 Ų11474.7 Ų74.750%0.49639%0.385SS..EExtended strand (participates in β ladder)trans-88.1120.3177.1-65.6-167.2-164.7177.50110.9R23 D25 F29R23-K27 PolarHBondContact N-O 3.32Å; D25-K27 HydrophobicContact CB-CG 4.34Å; D25-K27 PolarHBondContact O-N 2.96Å; D25-K27 VanDerWaalsContact O-N 3.08Å; K27-F29 HydrophobicContact CB-CE2 3.99Å; K27-F29 HydrophobicContact CB-CZ 4.25Å
28E96.6Very high97Very high113 Ų11375.2 Ų75.253%0.52839%0.385SS..EExtended strand (participates in β ladder)trans-85.1123.1175.5-61.1179.7-168.700112.1R30E28-R30 IonicContact OE2-CZ 3.43Å; E28-R30 IonicContact OE2-NE 3.33Å; E28-R30 PolarHBondContact OE2-NE 3.06Å; E28-R30 IonicContact OE2-NH2 2.73Å; E28-R30 PolarHBondContact OE2-NH2 3.05Å
29F97Very high97.1Very high14 Ų1474 Ų746%0.06137%0.371CS..EExtended strand (participates in β ladder)trans-109.6112.4171.4-61.5-82.5000110.1W7 F21 R23 K27 F31 F40W7-F29 HydrophobicContact CB-CD1 4.43Å; W7-F29 AromaticContact CD1-CD1 3.46Å; W7-F29 VanDerWaalsContact CD1-CD1 3.46Å; W7-F29 AromaticContact CD1-CE1 3.82Å; W7-F29 AromaticContact CD2-CD1 3.83Å; W7-F29 HydrophobicContact CD2-CD1 3.83Å; W7-F29 HydrophobicContact CD2-CE1 4.27Å; W7-F29 AromaticContact CE2-CD1 3.7Å; W7-F29 AromaticContact CE2-CE1 3.65Å; W7-F29 AromaticContact CG-CD1 3.66Å; W7-F29 HydrophobicContact CG-CD1 3.66Å; W7-F29 HydrophobicContact CG-CE1 4.34Å; W7-F29 HydrophobicContact CZ2-CD1 4.43Å; W7-F29 HydrophobicContact CZ2-CE1 4.08Å; W7-F29 AromaticContact NE1-CD1 3.47Å; W7-F29 AromaticContact NE1-CE1 3.36Å; F21-F29 HydrophobicContact CB-CB 4.4Å; F21-F29 HydrophobicContact CD1-CB 4.36Å; F21-F29 AromaticContact CD1-CD2 3.83Å; F21-F29 HydrophobicContact CD1-CD2 3.83Å; F21-F29 HydrophobicContact CD1-CG 4.46Å; F21-F29 HydrophobicContact CE1-CD2 4.33Å; F21-F29 PolarHBondContact N-O 2.77Å; F21-F29 PolarHBondContact O-N 3.48Å; R23-F29 HydrophobicContact CB-CD2 4.41Å; R23-F29 HydrophobicContact CB-CE2 3.9Å; K27-F29 HydrophobicContact CB-CE2 3.99Å; K27-F29 HydrophobicContact CB-CZ 4.25Å; F29-F31 HydrophobicContact CB-CE2 3.91Å; F29-F31 HydrophobicContact CB-CZ 3.75Å; F29-F40 HydrophobicContact CD1-CE2 4.13Å; F29-F40 HydrophobicContact CD1-CZ 4.19Å; F29-F40 HydrophobicContact CD2-CZ 4.07Å; F29-F40 HydrophobicContact CE1-CE2 4.28Å; F29-F40 HydrophobicContact CE1-CZ 4.38Å; F29-F40 HydrophobicContact CE2-CZ 4.26Å; F29-F40 HydrophobicContact CG-CE2 4.39Å; F29-F40 HydrophobicContact CG-CZ 4.02Å; F29-F40 HydrophobicContact CZ-CZ 4.42Å
30R97.6Very high97.2Very high64 Ų6472.3 Ų72.324%0.24236%0.361CS..EExtended strand (participates in β ladder)trans-98.5131.8179.1-62.8176.6-176.6-100.9-1111.1C6 W7 I13 L20 E28C6-R30 CarbonylContact C-O 3.58Å; C6-R30 WeakPolarHBondContact CA-O 3.47Å; C6-R30 PolarHBondContact SG-O 3.44Å; W7-R30 PolarHBondContact N-O 3.34Å; I13-R30 HydrophobicContact CD1-CB 3.71Å; L20-R30 HydrophobicContact CD1-CG 3.96Å; L20-R30 HydrophobicContact CG-CG 4.36Å; E28-R30 IonicContact OE2-CZ 3.43Å; E28-R30 IonicContact OE2-NE 3.33Å; E28-R30 PolarHBondContact OE2-NE 3.06Å; E28-R30 IonicContact OE2-NH2 2.73Å; E28-R30 PolarHBondContact OE2-NH2 3.05Å
31F98.3Very high97.2Very high0 Ų075.1 Ų75.10%037%0.37CS..EExtended strand (participates in β ladder)trans-119133.1-178.2-58.8-68.6000112.7C6 W7 F8 G18 I19 F21 F29 R33 C36 H37 F40C6-F31 VanDerWaalsContact SG-CA 3.6Å; W7-F31 HydrophobicContact CB-CE1 4.31Å; W7-F31 HydrophobicContact CE3-CE1 4.09Å; F8-F31 HydrophobicContact CB-CD1 4.42Å; F8-F31 HydrophobicContact CB-CE1 4.49Å; G18-F31 CarbonylContact C-O 3.59Å; G18-F31 WeakPolarHBondContact CA-O 3.1Å; I19-F31 PolarHBondContact N-O 3.29Å; I19-F31 VanDerWaalsContact N-O 3.09Å; I19-F31 PolarHBondContact O-N 2.75Å; F21-F31 HydrophobicContact CB-CE2 3.98Å; F29-F31 HydrophobicContact CB-CE2 3.91Å; F29-F31 HydrophobicContact CB-CZ 3.75Å; F31-R33 VanDerWaalsContact C-N 3.34Å; F31-R33 PolarHBondContact O-N 3.1Å; F31-C36 HydrophobicContact CB-CB 4.28Å; F31-C36 HydrophobicContact CD1-CB 4.05Å; F31-H37 HydrophobicContact CB-CB 4.15Å; F31-H37 HydrophobicContact CD2-CB 3.99Å; F31-H37 AromaticContact CD2-CD2 3.61Å; F31-H37 AromaticContact CE2-CD2 3.64Å; F31-H37 HydrophobicContact CG-CB 4.01Å; F31-F40 HydrophobicContact CE1-CB 3.61Å; F31-F40 HydrophobicContact CE1-CD1 4.36Å; F31-F40 HydrophobicContact CE1-CD2 4.19Å; F31-F40 AromaticContact CE1-CG 3.82Å; F31-F40 HydrophobicContact CE1-CG 3.82Å; F31-F40 HydrophobicContact CE2-CD1 4.07Å; F31-F40 HydrophobicContact CE2-CG 4.34Å; F31-F40 HydrophobicContact CZ-CB 3.58Å; F31-F40 AromaticContact CZ-CD1 3.47Å; F31-F40 HydrophobicContact CZ-CD1 3.47Å; F31-F40 VanDerWaalsContact CZ-CD1 3.47Å; F31-F40 AromaticContact CZ-CD2 3.89Å; F31-F40 HydrophobicContact CZ-CD2 3.89Å; F31-F40 HydrophobicContact CZ-CE1 4.05Å; F31-F40 HydrophobicContact CZ-CE2 4.4Å; F31-F40 AromaticContact CZ-CG 3.35Å; F31-F40 HydrophobicContact CZ-CG 3.35Å; F31-F40 HydrophobicContact CZ-CZ 4.47Å
32C97.4Very high97.2Very high26 Ų2678.6 Ų78.618%0.17639%0.385CS..SBendtrans-68.1-29.5179.655.50000113.5C6 C9 I13 C36C6-C32 HydrophobicContact CB-CB 3.75Å; C6-C32 PolarHBondContact SG-N 2.69Å; C6-C32 VanDerWaalsContact SG-SG 3.68Å; C9-C32 WeakPolarHBondContact CB-SG 3.49Å; C9-C32 WeakPolarHBondContact SG-CB 3.46Å; C9-C32 CovalentContact SG-SG 2.1Å; C9-C32 PolarHBondContact SG-SG 3.01Å; I13-C32 HydrophobicContact CG1-CB 4.15Å; C32-C36 PolarHBondContact SG-SG 2.9Å
33R95.9Very high97.1Very high101 Ų10183.1 Ų83.138%0.38140%0.4SS..SBendtrans-162.8164.5-172.256-177.8171.8-111.84.1111.6F31 K35 C36 H37F31-R33 VanDerWaalsContact C-N 3.34Å; F31-R33 PolarHBondContact O-N 3.1Å; R33-K35 VanDerWaalsContact C-N 3.25Å; R33-K35 HydrophobicContact CG-CB 4.07Å; R33-K35 PolarHBondContact O-N 3.47Å; R33-C36 HydrophobicContact CG-CB 4.42Å; R33-C36 PolarHBondContact O-N 3.03Å; R33-H37 PolarHBondContact O-N 3.48Å
34G96.5Very high97.2Very high35 Ų3584.7 Ų84.736%0.36141%0.409SS..Hα-helixtrans-54.6-35.3176.300000114.2C36 H37 K38G34-C36 VanDerWaalsContact C-N 3.33Å; G34-C36 PolarHBondContact O-N 2.75Å; G34-H37 PolarHBondContact O-N 3.4Å; G34-K38 WeakPolarHBondContact O-CB 3.37Å; G34-K38 WeakPolarHBondContact O-CG 3.49Å; G34-K38 PolarHBondContact O-N 3.3Å
35K97.2Very high97.1Very high124 Ų12480.7 Ų80.754%0.53939%0.388SS..Hα-helixtrans-55.7-44.3174.8179175.3-178.7171.50112.6R33 A39 W51R33-K35 VanDerWaalsContact C-N 3.25Å; R33-K35 HydrophobicContact CG-CB 4.07Å; R33-K35 PolarHBondContact O-N 3.47Å; K35-A39 VanDerWaalsContact O-CB 3.32Å; K35-A39 WeakPolarHBondContact O-CB 3.31Å; K35-A39 PolarHBondContact O-N 3.38Å; K35-W51 HydrophobicContact CD-CZ2 4.3Å; K35-W51 HydrophobicContact CG-CZ2 4.41Å
36C97.7Very high97.1Very high0 Ų076.8 Ų76.80%037%0.368CS..Hα-helixtrans-72.1-41.2-178.6-65.20000111.5F8 F31 C32 R33 G34 A39 F40F8-C36 HydrophobicContact CB-CB 3.89Å; F8-C36 HydrophobicContact CD1-CB 4.49Å; F8-C36 HydrophobicContact CG-CB 4.36Å; F31-C36 HydrophobicContact CB-CB 4.28Å; F31-C36 HydrophobicContact CD1-CB 4.05Å; C32-C36 PolarHBondContact SG-SG 2.9Å; R33-C36 HydrophobicContact CG-CB 4.42Å; R33-C36 PolarHBondContact O-N 3.03Å; G34-C36 VanDerWaalsContact C-N 3.33Å; G34-C36 PolarHBondContact O-N 2.75Å; C36-A39 PolarHBondContact O-N 3.07Å; C36-F40 PolarHBondContact O-N 2.89Å
37H97.4Very high97.1Very high28 Ų2878.8 Ų78.813%0.1336%0.36CS..Hα-helixtrans-64.5-46.2177-178.4-135.7000111.9I19 F31 R33 G34 A39 F40 K41I19-H37 HydrophobicContact CD1-CB 4.15Å; F31-H37 HydrophobicContact CB-CB 4.15Å; F31-H37 HydrophobicContact CD2-CB 3.99Å; F31-H37 AromaticContact CD2-CD2 3.61Å; F31-H37 AromaticContact CE2-CD2 3.64Å; F31-H37 HydrophobicContact CG-CB 4.01Å; R33-H37 PolarHBondContact O-N 3.48Å; G34-H37 PolarHBondContact O-N 3.4Å; H37-A39 VanDerWaalsContact C-N 3.34Å; H37-A39 PolarHBondContact O-N 3.39Å; H37-F40 WeakPolarHBondContact O-CB 3.26Å; H37-F40 PolarHBondContact O-N 2.72Å; H37-K41 WeakPolarHBondContact CE1-CE 3.5Å; H37-K41 WeakPolarHBondContact NE2-CE 3.45Å; H37-K41 PolarHBondContact O-N 2.94Å
38K97.6Very high97.1Very high146 Ų14681 Ų8164%0.63537%0.37SS*.Hα-helixtrans-61.4-40.7174.4-70.4179.2-176.4-175.50111.8G34 F40 K41 K42G34-K38 WeakPolarHBondContact O-CB 3.37Å; G34-K38 WeakPolarHBondContact O-CG 3.49Å; G34-K38 PolarHBondContact O-N 3.3Å; K38-F40 VanDerWaalsContact C-N 3.33Å; K38-F40 PolarHBondContact O-N 2.95Å; K38-K41 PolarHBondContact O-N 3.05Å; K38-K42 WeakPolarHBondContact O-CG 3.4Å; K38-K42 PolarHBondContact O-N 3.49Å
39A97.7Very high97.1Very high18 Ų1877.2 Ų77.215%0.14935%0.354CS..Hα-helixtrans-65.9-35.817700000112.8F8 K35 C36 H37 K42 H43 K44F8-A39 HydrophobicContact CD2-CB 4.23Å; F8-A39 HydrophobicContact CE1-CB 4.01Å; F8-A39 HydrophobicContact CE2-CB 3.6Å; F8-A39 HydrophobicContact CZ-CB 3.47Å; F8-A39 VanDerWaalsContact CZ-CB 3.47Å; K35-A39 VanDerWaalsContact O-CB 3.32Å; K35-A39 WeakPolarHBondContact O-CB 3.31Å; K35-A39 PolarHBondContact O-N 3.38Å; C36-A39 PolarHBondContact O-N 3.07Å; H37-A39 VanDerWaalsContact C-N 3.34Å; H37-A39 PolarHBondContact O-N 3.39Å; A39-K42 CarbonylContact O-C 3.59Å; A39-K42 PolarHBondContact O-N 2.87Å; A39-H43 PolarHBondContact O-N 3.4Å; A39-K44 HydrophobicContact CB-CB 4.5Å; A39-K44 WeakPolarHBondContact O-CB 3.44Å; A39-K44 PolarHBondContact O-N 2.95Å
40F97.2Very high97.1Very high36 Ų3686 Ų8616%0.15839%0.387CS..Hα-helixtrans-64.2-47.5172.4177.8-104.3000112W7 F21 F29 F31 C36 H37 K38 K42 H43W7-F40 AromaticContact CE3-CD2 3.73Å; W7-F40 HydrophobicContact CE3-CD2 3.73Å; W7-F40 HydrophobicContact CE3-CE2 4.14Å; W7-F40 AromaticContact CH2-CD2 3.71Å; W7-F40 HydrophobicContact CH2-CD2 3.71Å; W7-F40 AromaticContact CH2-CE2 3.74Å; W7-F40 HydrophobicContact CH2-CE2 3.74Å; W7-F40 HydrophobicContact CZ2-CD2 4.48Å; W7-F40 HydrophobicContact CZ2-CE2 4.13Å; W7-F40 AromaticContact CZ3-CD2 3.31Å; W7-F40 HydrophobicContact CZ3-CD2 3.31Å; W7-F40 AromaticContact CZ3-CE2 3.78Å; W7-F40 HydrophobicContact CZ3-CE2 3.78Å; W7-F40 HydrophobicContact CZ3-CG 4.42Å; F21-F40 AromaticContact CD1-CE1 3.58Å; F21-F40 HydrophobicContact CD1-CE1 3.58Å; F21-F40 HydrophobicContact CD1-CZ 4.19Å; F21-F40 AromaticContact CE1-CE1 3.74Å; F21-F40 HydrophobicContact CE1-CE1 3.74Å; F21-F40 HydrophobicContact CE1-CZ 4.26Å; F29-F40 HydrophobicContact CD1-CE2 4.13Å; F29-F40 HydrophobicContact CD1-CZ 4.19Å; F29-F40 HydrophobicContact CD2-CZ 4.07Å; F29-F40 HydrophobicContact CE1-CE2 4.28Å; F29-F40 HydrophobicContact CE1-CZ 4.38Å; F29-F40 HydrophobicContact CE2-CZ 4.26Å; F29-F40 HydrophobicContact CG-CE2 4.39Å; F29-F40 HydrophobicContact CG-CZ 4.02Å; F29-F40 HydrophobicContact CZ-CZ 4.42Å; F31-F40 HydrophobicContact CE1-CB 3.61Å; F31-F40 HydrophobicContact CE1-CD1 4.36Å; F31-F40 HydrophobicContact CE1-CD2 4.19Å; F31-F40 AromaticContact CE1-CG 3.82Å; F31-F40 HydrophobicContact CE1-CG 3.82Å; F31-F40 HydrophobicContact CE2-CD1 4.07Å; F31-F40 HydrophobicContact CE2-CG 4.34Å; F31-F40 HydrophobicContact CZ-CB 3.58Å; F31-F40 AromaticContact CZ-CD1 3.47Å; F31-F40 HydrophobicContact CZ-CD1 3.47Å; F31-F40 VanDerWaalsContact CZ-CD1 3.47Å; F31-F40 AromaticContact CZ-CD2 3.89Å; F31-F40 HydrophobicContact CZ-CD2 3.89Å; F31-F40 HydrophobicContact CZ-CE1 4.05Å; F31-F40 HydrophobicContact CZ-CE2 4.4Å; F31-F40 AromaticContact CZ-CG 3.35Å; F31-F40 HydrophobicContact CZ-CG 3.35Å; F31-F40 HydrophobicContact CZ-CZ 4.47Å; C36-F40 PolarHBondContact O-N 2.89Å; H37-F40 WeakPolarHBondContact O-CB 3.26Å; H37-F40 PolarHBondContact O-N 2.72Å; K38-F40 VanDerWaalsContact C-N 3.33Å; K38-F40 PolarHBondContact O-N 2.95Å; F40-K42 PolarHBondContact O-N 3.15Å; F40-H43 WeakPolarHBondContact O-CA 3.31Å; F40-H43 PolarHBondContact O-N 3.13Å
41K96.9Very high97Very high137 Ų13787.8 Ų87.860%0.59639%0.394SS*.Hα-helixtrans-59.2-32.7174.3-72.8-173.2170.2-172.70112.9H37 K38 H43H37-K41 WeakPolarHBondContact CE1-CE 3.5Å; H37-K41 WeakPolarHBondContact NE2-CE 3.45Å; H37-K41 PolarHBondContact O-N 2.94Å; K38-K41 PolarHBondContact O-N 3.05Å; K41-H43 PolarHBondContact O-CD2 3.44Å; K41-H43 PolarHBondContact O-N 3.12Å
42K97.3Very high97Very high154 Ų15487.8 Ų87.867%0.6739%0.394SS*.THydrogen-bonded Turntrans-80.614.2173.2-68.2-174.4178.8-166.20113.8K38 A39 F40 K44K38-K42 WeakPolarHBondContact O-CG 3.4Å; K38-K42 PolarHBondContact O-N 3.49Å; A39-K42 CarbonylContact O-C 3.59Å; A39-K42 PolarHBondContact O-N 2.87Å; F40-K42 PolarHBondContact O-N 3.15Å; K42-K44 HydrophobicContact CB-CG 4.14Å; K42-K44 PolarHBondContact O-N 3.01Å
43H96.3Very high96.9Very high176 Ų17691.2 Ų91.282%0.81541%0.406SS*.THydrogen-bonded Turntrans48.531.7-179.1-59.1-77.1000114.4A39 F40 K41 N45A39-H43 PolarHBondContact O-N 3.4Å; F40-H43 WeakPolarHBondContact O-CA 3.31Å; F40-H43 PolarHBondContact O-N 3.13Å; K41-H43 PolarHBondContact O-CD2 3.44Å; K41-H43 PolarHBondContact O-N 3.12Å; H43-N45 PolarHBondContact O-N 2.92Å
44K97.4Very high96.9Very high123 Ų12388.2 Ų88.254%0.53540%0.398SS..  trans-73.2125.1178.4-63.2-60.3-174.7-174.60109.3F8 A39 K42 P46 V49F8-K44 HydrophobicContact CE2-CB 4.23Å; F8-K44 WeakPolarHBondContact CE2-O 3.15Å; F8-K44 HydrophobicContact CZ-CB 4.27Å; A39-K44 HydrophobicContact CB-CB 4.5Å; A39-K44 WeakPolarHBondContact O-CB 3.44Å; A39-K44 PolarHBondContact O-N 2.95Å; K42-K44 HydrophobicContact CB-CG 4.14Å; K42-K44 PolarHBondContact O-N 3.01Å; K44-P46 VanDerWaalsContact O-CD 3.29Å; K44-P46 WeakPolarHBondContact O-CD 3.22Å; K44-V49 HydrophobicContact CB-CG2 4.33Å
45N96Very high97Very high77 Ų7786.6 Ų86.641%0.41238%0.381SS..  trans-71.7117.3176.4-175-22.1000110.7H43 R47 K48 V49H43-N45 PolarHBondContact O-N 2.92Å; N45-R47 PolarHBondContact O-N 2.97Å; N45-R47 VanDerWaalsContact O-N 3.08Å; N45-R47 WeakPolarHBondContact OD1-CB 3.49Å; N45-R47 PolarHBondContact OD1-N 3.27Å; N45-K48 HydrophobicContact CB-CG 4.46Å; N45-K48 PolarHBondContact O-N 3Å; N45-V49 PolarHBondContact O-N 2.9Å
46P97.7Very high97Very high15 Ų1584 Ų8410%0.09737%0.368CS..THydrogen-bonded Turntrans-57-27.1-179.2-23.733000114W7 F8 K44 K48 V49 T52W7-P46 HydrophobicContact CE3-CG 4.27Å; W7-P46 HydrophobicContact CH2-CG 3.99Å; W7-P46 HydrophobicContact CZ3-CG 3.62Å; F8-P46 HydrophobicContact CD2-CB 4.41Å; F8-P46 HydrophobicContact CD2-CG 3.75Å; F8-P46 HydrophobicContact CE2-CB 4.49Å; F8-P46 HydrophobicContact CE2-CG 3.96Å; F8-P46 HydrophobicContact CG-CG 4.32Å; K44-P46 VanDerWaalsContact O-CD 3.29Å; K44-P46 WeakPolarHBondContact O-CD 3.22Å; P46-K48 VanDerWaalsContact C-N 3.33Å; P46-K48 PolarHBondContact O-N 3.26Å; P46-V49 PolarHBondContact O-N 3.43Å; P46-T52 PolarHBondContact O-OG1 3.31Å
47R96.4Very high96.8Very high153 Ų15391.2 Ų91.258%0.57740%0.395SS*.THydrogen-bonded Turntrans-66.4-33.4178.2-63.3178.2-178-94.82.3112.4N45 V54 S55 V58N45-R47 PolarHBondContact O-N 2.97Å; N45-R47 VanDerWaalsContact O-N 3.08Å; N45-R47 WeakPolarHBondContact OD1-CB 3.49Å; N45-R47 PolarHBondContact OD1-N 3.27Å; R47-V54 HydrophobicContact CG-CG1 3.77Å; R47-S55 VanDerWaalsContact O-CB 3.28Å; R47-S55 WeakPolarHBondContact O-CB 3.33Å; R47-S55 PolarHBondContact O-OG 3.42Å; R47-V58 HydrophobicContact CG-CG2 4.39Å
48K97.1Very high96.8Very high162 Ų16294 Ų9470%0.70441%0.414SS*.THydrogen-bonded Turntrans-82-28.8179.7-65-171.5176.5-1760112N45 P46 R50 R59N45-K48 HydrophobicContact CB-CG 4.46Å; N45-K48 PolarHBondContact O-N 3Å; P46-K48 VanDerWaalsContact C-N 3.33Å; P46-K48 PolarHBondContact O-N 3.26Å; K48-R50 PolarHBondContact O-N 2.81Å; K48-R59 PolarHBondContact O-NH2 2.92Å
49V97.3Very high96.7Very high33 Ų3392.2 Ų92.220%0.240%0.404CS..  trans-76.5108.7-174.9179.40000112.5F8 K44 N45 P46 W51 T52 S55F8-V49 HydrophobicContact CE1-CB 4.45Å; F8-V49 HydrophobicContact CE1-CG1 4.18Å; F8-V49 HydrophobicContact CZ-CB 4.32Å; F8-V49 HydrophobicContact CZ-CG1 4.38Å; F8-V49 HydrophobicContact CZ-CG2 3.99Å; K44-V49 HydrophobicContact CB-CG2 4.33Å; N45-V49 PolarHBondContact O-N 2.9Å; P46-V49 PolarHBondContact O-N 3.43Å; V49-W51 VanDerWaalsContact C-N 3.31Å; V49-W51 VanDerWaalsContact CG1-CD1 3.46Å; V49-W51 HydrophobicContact CG1-CD2 4.34Å; V49-W51 HydrophobicContact CG1-CG 4.2Å; V49-W51 HydrophobicContact CG1-CZ2 4.36Å; V49-W51 PolarHBondContact O-N 3.27Å; V49-W51 VanDerWaalsContact O-N 3.07Å; V49-T52 HydrophobicContact CB-CG2 4.04Å; V49-T52 HydrophobicContact CG1-CG2 3.97Å; V49-T52 PolarHBondContact O-N 3.42Å; V49-T52 VanDerWaalsContact O-N 3.16Å; V49-T52 PolarHBondContact O-OG1 3.12Å; V49-T52 VanDerWaalsContact O-OG1 3.07Å; V49-S55 WeakPolarHBondContact O-CB 3.35Å; V49-S55 PolarHBondContact O-OG 3.46Å
50R96.7Very high96.5Very high199 Ų19993.3 Ų93.375%0.75142%0.417SS*.THydrogen-bonded Turntrans-55.2-31.6-165.7-63.8-176.1175.3-178.3-1116.9K48K48-R50 PolarHBondContact O-N 2.81Å
51W95.7Very high96.4Very high101 Ų10195.7 Ų95.738%0.38343%0.427SS..THydrogen-bonded Turntrans-85-12.1-174.762.9-97.1000113.9F8 C9 K35 V49F8-W51 AromaticContact CD1-CH2 3.67Å; F8-W51 HydrophobicContact CD1-CH2 3.67Å; F8-W51 AromaticContact CD1-CZ2 3.9Å; F8-W51 HydrophobicContact CD1-CZ2 3.9Å; F8-W51 AromaticContact CE1-CH2 3.8Å; F8-W51 HydrophobicContact CE1-CH2 3.8Å; F8-W51 AromaticContact CE1-CZ2 3.52Å; F8-W51 HydrophobicContact CE1-CZ2 3.52Å; C9-W51 HydrophobicContact CB-CH2 4.09Å; C9-W51 HydrophobicContact CB-CZ3 3.65Å; K35-W51 HydrophobicContact CD-CZ2 4.3Å; K35-W51 HydrophobicContact CG-CZ2 4.41Å; V49-W51 VanDerWaalsContact C-N 3.31Å; V49-W51 VanDerWaalsContact CG1-CD1 3.46Å; V49-W51 HydrophobicContact CG1-CD2 4.34Å; V49-W51 HydrophobicContact CG1-CG 4.2Å; V49-W51 HydrophobicContact CG1-CZ2 4.36Å; V49-W51 PolarHBondContact O-N 3.27Å; V49-W51 VanDerWaalsContact O-N 3.07Å
52T97.4Very high96.3Very high0 Ų090.6 Ų90.60%041%0.405CS..SBendtrans-74.4149.3179.769.80000110.7F8 P46 V49 V54 S55 R56F8-T52 HydrophobicContact CD1-CG2 3.78Å; F8-T52 HydrophobicContact CE1-CG2 3.6Å; F8-T52 WeakPolarHBondContact O-CG2 3.38Å; P46-T52 PolarHBondContact O-OG1 3.31Å; V49-T52 HydrophobicContact CB-CG2 4.04Å; V49-T52 HydrophobicContact CG1-CG2 3.97Å; V49-T52 PolarHBondContact O-N 3.42Å; V49-T52 VanDerWaalsContact O-N 3.16Å; V49-T52 PolarHBondContact O-OG1 3.12Å; V49-T52 VanDerWaalsContact O-OG1 3.07Å; T52-V54 VanDerWaalsContact C-N 3.26Å; T52-V54 PolarHBondContact O-N 3.11Å; T52-S55 PolarHBondContact O-N 3.23Å; T52-S55 WeakPolarHBondContact OG1-CB 3.25Å; T52-S55 PolarHBondContact OG1-N 3.48Å; T52-R56 WeakPolarHBondContact O-CG 3.42Å; T52-R56 PolarHBondContact O-N 3.5Å
53K95.9Very high96.1Very high98 Ų9885.1 Ų85.143%0.42638%0.383SS..Hα-helixtrans-62.1-35.6174.2-72.3-62.4-160.5175.90112.1S55 R56 R57 E62K53-S55 PolarHBondContact O-N 3.08Å; K53-R56 PolarHBondContact O-N 3.49Å; K53-R57 PolarHBondContact O-N 3.28Å; K53-E62 IonicContact NZ-OE1 2.67Å; K53-E62 PolarHBondContact NZ-OE1 3.38Å
54V96.2Very high95.9Very high38 Ų3879.3 Ų79.323%0.2336%0.36CS..Hα-helixtrans-58.2-47.8174.4-177.10000111R47 T52 R56 R57 V58R47-V54 HydrophobicContact CG-CG1 3.77Å; T52-V54 VanDerWaalsContact C-N 3.26Å; T52-V54 PolarHBondContact O-N 3.11Å; V54-R56 VanDerWaalsContact C-N 3.33Å; V54-R56 PolarHBondContact O-N 3.13Å; V54-R57 WeakPolarHBondContact O-CB 3.34Å; V54-R57 PolarHBondContact O-N 3.08Å; V54-V58 WeakPolarHBondContact O-CG2 3.42Å; V54-V58 PolarHBondContact O-N 3.2Å
55S97.4Very high95.6Very high0 Ų080.7 Ų80.70%037%0.373CS..Hα-helixtrans-66.9-34.5179.7-160.80000112.6R47 V49 T52 K53 R59R47-S55 VanDerWaalsContact O-CB 3.28Å; R47-S55 WeakPolarHBondContact O-CB 3.33Å; R47-S55 PolarHBondContact O-OG 3.42Å; V49-S55 WeakPolarHBondContact O-CB 3.35Å; V49-S55 PolarHBondContact O-OG 3.46Å; T52-S55 PolarHBondContact O-N 3.23Å; T52-S55 WeakPolarHBondContact OG1-CB 3.25Å; T52-S55 PolarHBondContact OG1-N 3.48Å; K53-S55 PolarHBondContact O-N 3.08Å; S55-R59 WeakPolarHBondContact O-CG 3.42Å; S55-R59 PolarHBondContact O-N 2.83Å; S55-R59 PolarHBondContact OG-NH1 3.48Å
56R97Very high95.4Very high71 Ų7178.3 Ų78.327%0.26836%0.36SS..Hα-helixtrans-64.6-43.2172.4-69.9-176.764169.1-4.9111.7T52 K53 V54 R59 G60 K61 E62T52-R56 WeakPolarHBondContact O-CG 3.42Å; T52-R56 PolarHBondContact O-N 3.5Å; K53-R56 PolarHBondContact O-N 3.49Å; V54-R56 VanDerWaalsContact C-N 3.33Å; V54-R56 PolarHBondContact O-N 3.13Å; R56-R59 PolarHBondContact O-N 2.85Å; R56-G60 PolarHBondContact O-N 3.09Å; R56-K61 HydrophobicContact CB-CB 4.01Å; R56-K61 HydrophobicContact CG-CB 4.45Å; R56-K61 HydrophobicContact CG-CD 4.44Å; R56-K61 WeakPolarHBondContact O-CB 3.41Å; R56-K61 PolarHBondContact O-N 3.42Å; R56-E62 HydrophobicContact CB-CG 3.87Å; R56-E62 IonicContact CZ-OE1 2.76Å; R56-E62 IonicContact CZ-OE2 3.72Å; R56-E62 IonicContact NE-OE1 3.98Å; R56-E62 PolarHBondContact NE-OE1 3.47Å; R56-E62 VanDerWaalsContact NE-OE1 3.08Å; R56-E62 IonicContact NE-OE2 2.9Å; R56-E62 IonicContact NH1-OE1 3.02Å; R56-E62 PolarHBondContact NH1-OE1 3.1Å; R56-E62 IonicContact NH2-OE1 3.7Å; R56-E62 PolarHBondContact NH2-OE1 3.17Å; R56-E62 IonicContact NH2-OE2 2.73Å; R56-E62 PolarHBondContact NH2-OE2 3.47Å
57R95.1Very high95.2Very high151 Ų15183.5 Ų83.557%0.5739%0.387SS*.Hα-helixtrans-60.9-50177.8-164-177.5-77.7-176.3-4.6112.2K53 V54 R59 G60 T64K53-R57 PolarHBondContact O-N 3.28Å; V54-R57 WeakPolarHBondContact O-CB 3.34Å; V54-R57 PolarHBondContact O-N 3.08Å; R57-R59 PolarHBondContact O-N 3.39Å; R57-G60 PolarHBondContact O-N 3.45Å; R57-T64 HydrophobicContact CG-CG2 3.16Å
58V96Very high95.1Very high87 Ų8776.5 Ų76.553%0.52736%0.361SS..Hα-helixtrans-60.5-33178.9172.70000112.3R47 V54 G60R47-V58 HydrophobicContact CG-CG2 4.39Å; V54-V58 WeakPolarHBondContact O-CG2 3.42Å; V54-V58 PolarHBondContact O-N 3.2Å; V58-G60 VanDerWaalsContact C-N 3.3Å; V58-G60 PolarHBondContact O-N 2.99Å
59R95.8Very high94.9Very high108 Ų10871 Ų7141%0.40834%0.338SS..THydrogen-bonded Turntrans-88.213.1177.5-65.3-167.3-173.698.83.8114.1K48 S55 R56 R57 K61K48-R59 PolarHBondContact O-NH2 2.92Å; S55-R59 WeakPolarHBondContact O-CG 3.42Å; S55-R59 PolarHBondContact O-N 2.83Å; S55-R59 PolarHBondContact OG-NH1 3.48Å; R56-R59 PolarHBondContact O-N 2.85Å; R57-R59 PolarHBondContact O-N 3.39Å; R59-K61 HydrophobicContact CB-CG 4.22Å; R59-K61 PolarHBondContact O-N 3.27Å
60G94.6Very high94.7Very high41 Ų4171.8 Ų71.842%0.42334%0.343SS..THydrogen-bonded Turntrans62.326-179.600000114.4R56 R57 V58 F107R56-G60 PolarHBondContact O-N 3.09Å; R57-G60 PolarHBondContact O-N 3.45Å; V58-G60 VanDerWaalsContact C-N 3.3Å; V58-G60 PolarHBondContact O-N 2.99Å; G60-F107 WeakPolarHBondContact O-CZ 3.35Å
61K95.1Very high94.5Very high85 Ų8568.1 Ų68.137%0.3733%0.333SS..  trans-86.3-16.2-178-69-168.5178.2-166.60114R56 R59 R111R56-K61 HydrophobicContact CB-CB 4.01Å; R56-K61 HydrophobicContact CG-CB 4.45Å; R56-K61 HydrophobicContact CG-CD 4.44Å; R56-K61 WeakPolarHBondContact O-CB 3.41Å; R56-K61 PolarHBondContact O-N 3.42Å; R59-K61 HydrophobicContact CB-CG 4.22Å; R59-K61 PolarHBondContact O-N 3.27Å; K61-R111 VanDerWaalsContact CB-NH1 3.31Å; K61-R111 PolarHBondContact O-NH1 2.72Å
62E93.6Very high94.2Very high31 Ų3168.8 Ų68.815%0.14534%0.34CS..SBendtrans-124.5155.8177-52.8-74.3-147.200108K53 R56 T64 F107K53-E62 IonicContact NZ-OE1 2.67Å; K53-E62 PolarHBondContact NZ-OE1 3.38Å; R56-E62 HydrophobicContact CB-CG 3.87Å; R56-E62 IonicContact CZ-OE1 2.76Å; R56-E62 IonicContact CZ-OE2 3.72Å; R56-E62 IonicContact NE-OE1 3.98Å; R56-E62 PolarHBondContact NE-OE1 3.47Å; R56-E62 VanDerWaalsContact NE-OE1 3.08Å; R56-E62 IonicContact NE-OE2 2.9Å; R56-E62 IonicContact NH1-OE1 3.02Å; R56-E62 PolarHBondContact NH1-OE1 3.1Å; R56-E62 IonicContact NH2-OE1 3.7Å; R56-E62 PolarHBondContact NH2-OE1 3.17Å; R56-E62 IonicContact NH2-OE2 2.73Å; R56-E62 PolarHBondContact NH2-OE2 3.47Å; E62-T64 PolarHBondContact O-N 2.88Å; E62-F107 VanDerWaalsContact C-CE1 3.43Å
63L94.4Very high93.8Very high38 Ų3877.4 Ų77.420%0.19937%0.372CS..  trans-65.3122.8172.8-175.662.6000110.1D66 Q69 R103 E104 F107L63-D66 HydrophobicContact CD2-CB 3.84Å; L63-D66 HydrophobicContact CG-CB 4.15Å; L63-Q69 PolarHBondContact O-NE2 3.34Å; L63-R103 HydrophobicContact CD2-CB 3.94Å; L63-E104 HydrophobicContact CB-CG 4.47Å; L63-F107 HydrophobicContact CB-CB 4.24Å; L63-F107 HydrophobicContact CB-CD1 4.34Å; L63-F107 HydrophobicContact CB-CD2 4.42Å; L63-F107 HydrophobicContact CB-CG 4.08Å; L63-F107 HydrophobicContact CD1-CD2 3.83Å; L63-F107 HydrophobicContact CD1-CE2 4.34Å; L63-F107 HydrophobicContact CD1-CG 4.28Å
64T92Very high93.6Very high54 Ų5480.1 Ų80.133%0.33138%0.384SS..  trans-103.5153.7171.250.10000110.5R57 E62 D66R57-T64 HydrophobicContact CG-CG2 3.16Å; E62-T64 PolarHBondContact O-N 2.88Å; T64-D66 PolarHBondContact O-N 2.82Å
65D89.4Confident93.3Very high153 Ų15386.6 Ų86.682%0.81841%0.405SS*.SBendtrans62.233.3166.8-46-45.1000115.6
66D93Very high93.1Very high26 Ų2693 Ų9314%0.13944%0.439CS..  trans-85.8146.7175.2-175.860.1000112.7L63 T64 S68 Q69 R103L63-D66 HydrophobicContact CD2-CB 3.84Å; L63-D66 HydrophobicContact CG-CB 4.15Å; T64-D66 PolarHBondContact O-N 2.82Å; D66-S68 PolarHBondContact O-N 3.48Å; D66-S68 WeakPolarHBondContact OD2-CB 3.39Å; D66-S68 PolarHBondContact OD2-N 3.45Å; D66-S68 PolarHBondContact OD2-OG 3.23Å; D66-Q69 HydrophobicContact CB-CG 4.31Å; D66-Q69 WeakPolarHBondContact O-CB 3.46Å; D66-Q69 PolarHBondContact O-N 3.22Å; D66-R103 VanDerWaalsContact CG-NH1 3.35Å; D66-R103 WeakPolarHBondContact OD1-CD 3.49Å; D66-R103 IonicContact OD1-CZ 2.76Å; D66-R103 IonicContact OD1-NE 3.45Å; D66-R103 IonicContact OD1-NH1 3.11Å; D66-R103 PolarHBondContact OD1-NH1 2.99Å; D66-R103 WeakPolarHBondContact OD2-CD 3.29Å; D66-R103 IonicContact OD2-NH1 3.31Å; D66-R103 PolarHBondContact OD2-NH1 3.26Å; D66-R103 VanDerWaalsContact OD2-NH1 3.11Å
67L94.3Very high92.8Very high125 Ų12593.8 Ų93.865%0.65446%0.455SS*.G310 helixtrans-57.3-34.9177.4-66.4176.2000112.5Q69 T70L67-Q69 PolarHBondContact O-N 3.06Å; L67-T70 WeakPolarHBondContact O-CB 3.43Å; L67-T70 PolarHBondContact O-N 3.47Å; L67-T70 VanDerWaalsContact O-N 3.15Å; L67-T70 PolarHBondContact O-OG1 3.24Å
68S93.1Very high92.4Very high6 Ų694.9 Ų94.94%0.04247%0.472CS..G310 helixtrans-64.8-26.4177.6700000113.1D66 T70 F71 K100D66-S68 PolarHBondContact O-N 3.48Å; D66-S68 WeakPolarHBondContact OD2-CB 3.39Å; D66-S68 PolarHBondContact OD2-N 3.45Å; D66-S68 PolarHBondContact OD2-OG 3.23Å; S68-T70 VanDerWaalsContact C-N 3.29Å; S68-T70 PolarHBondContact O-N 2.94Å; S68-F71 WeakPolarHBondContact O-CD2 3.31Å; S68-K100 WeakPolarHBondContact OG-CB 3.46Å
69Q92.1Very high92.1Very high47 Ų4797.4 Ų97.422%0.2248%0.482CS..G310 helixtrans-77.1-19.2178.5-61.1177.9-4.300112.1L63 D66 L67 F71 E72L63-Q69 PolarHBondContact O-NE2 3.34Å; D66-Q69 HydrophobicContact CB-CG 4.31Å; D66-Q69 WeakPolarHBondContact O-CB 3.46Å; D66-Q69 PolarHBondContact O-N 3.22Å; L67-Q69 PolarHBondContact O-N 3.06Å; Q69-F71 PolarHBondContact O-N 3.06Å; Q69-E72 PolarHBondContact O-N 3.33Å
70T93.3Very high92Very high49 Ų49101.5 Ų101.530%0.30150%0.502SS..G310 helixtrans-68.8-21-178.769.80000113.3L67 S68 E72 R73L67-T70 WeakPolarHBondContact O-CB 3.43Å; L67-T70 PolarHBondContact O-N 3.47Å; L67-T70 VanDerWaalsContact O-N 3.15Å; L67-T70 PolarHBondContact O-OG1 3.24Å; S68-T70 VanDerWaalsContact C-N 3.29Å; S68-T70 PolarHBondContact O-N 2.94Å; T70-E72 VanDerWaalsContact C-N 3.31Å; T70-E72 PolarHBondContact O-N 3.38Å; T70-R73 WeakPolarHBondContact O-CD 3.36Å; T70-R73 WeakPolarHBondContact O-CG 3.48Å; T70-R73 PolarHBondContact O-NE 3.13Å
71F92.6Very high92Very high121 Ų121107 Ų10753%0.53151%0.511SS..G310 helixtrans-70.8-22.9178.3-65.3-78.1000113.4S68 Q69 R73 I96S68-F71 WeakPolarHBondContact O-CD2 3.31Å; Q69-F71 PolarHBondContact O-N 3.06Å; F71-R73 PolarHBondContact O-N 2.95Å; F71-I96 HydrophobicContact CB-CD1 4.49Å; F71-I96 HydrophobicContact CB-CG2 4.46Å; F71-I96 HydrophobicContact CD1-CD1 3.98Å; F71-I96 HydrophobicContact CD2-CD1 4.07Å; F71-I96 HydrophobicContact CD2-CG1 4.35Å; F71-I96 HydrophobicContact CD2-CG2 3.73Å; F71-I96 HydrophobicContact CE1-CD1 4.18Å; F71-I96 HydrophobicContact CE2-CD1 4.28Å; F71-I96 HydrophobicContact CE2-CG1 4.36Å; F71-I96 HydrophobicContact CE2-CG2 4.31Å; F71-I96 HydrophobicContact CG-CD1 3.92Å; F71-I96 HydrophobicContact CG-CG2 4.28Å; F71-I96 HydrophobicContact CZ-CD1 4.33Å
72E89.7Confident92Very high116 Ų116108.9 Ų108.954%0.54252%0.521SS..G310 helixtrans-80.615-178.2-69.8-173.8-151.900114.5Q69 T70 K100Q69-E72 PolarHBondContact O-N 3.33Å; T70-E72 VanDerWaalsContact C-N 3.31Å; T70-E72 PolarHBondContact O-N 3.38Å; E72-K100 IonicContact OE1-NZ 3.48Å; E72-K100 PolarHBondContact OE1-NZ 2.99Å
73R90Very high92.2Very high180 Ų180116.7 Ų116.768%0.67955%0.549SS*.PPolyproline II helixtrans-67.2144.8-177.8-71.2167.9-173.5-179.72.9112.3T70 F71 R75T70-R73 WeakPolarHBondContact O-CD 3.36Å; T70-R73 WeakPolarHBondContact O-CG 3.48Å; T70-R73 PolarHBondContact O-NE 3.13Å; F71-R73 PolarHBondContact O-N 2.95Å; R73-R75 PolarHBondContact O-N 3.12Å
74K90.3Very high92.3Very high156 Ų156118 Ų11868%0.67857%0.566SS**PPolyproline II helixtrans-71.5119.5169.5-174.8-175.7176.1-171.30108.5N76K74-N76 WeakPolarHBondContact CE-OD1 3.42Å
75R91.3Very high92.4Very high173 Ų173117.2 Ų117.265%0.65357%0.565SS**PPolyproline II helixtrans-86.6125170.9-58-170-167.195.33.3108.9R73R73-R75 PolarHBondContact O-N 3.12Å
76N91.8Very high92.6Very high136 Ų136112.7 Ų112.773%0.72754%0.543SS*.  trans-94.3-19.3175.8-68.1-18.7000112K74K74-N76 WeakPolarHBondContact CE-OD1 3.42Å
77S91.3Very high92.8Very high87 Ų87120.2 Ų120.261%0.60857%0.569SS**SBendtrans-87.5138.217150.80000110.8
78L87.6Confident92.9Very high174 Ų174121.9 Ų121.991%0.91157%0.571SS**PPolyproline II helixtrans-84.7136.3171.9-58.2176.8000108.7
79L88.9Confident93Very high140 Ų140125.7 Ų125.773%0.73359%0.59SS**PPolyproline II helixtrans-99.3141.5170.6-67.4170.5000108.4Y81L79-Y81 PolarHBondContact O-N 3.35Å
80K93.1Very high93.2Very high193 Ų193127.8 Ų127.884%0.83961%0.606SS**PPolyproline II helixtrans-59.8139169.8-169.4174.3-179.1179.70108.6E82K80-E82 PolarHBondContact O-N 3.44Å
81Y95Very high93.4Very high158 Ų158129.8 Ų129.862%0.6262%0.615SS**PPolyproline II helixtrans-68.5122.8179.7174-95.9000110.5L79 R83 V86L79-Y81 PolarHBondContact O-N 3.35Å; Y81-R83 HydrophobicContact CE1-CB 4.34Å; Y81-V86 HydrophobicContact CD2-CG2 3.96Å; Y81-V86 HydrophobicContact CE2-CB 4.43Å; Y81-V86 HydrophobicContact CE2-CG2 3.78Å
82E96.1Very high93.6Very high124 Ų124125.8 Ų125.858%0.57960%0.604SS**  trans-130.4120.2170.6-69.6-177177.800109.4K80 A84 A85 V86K80-E82 PolarHBondContact O-N 3.44Å; E82-A84 VanDerWaalsContact C-N 3.31Å; E82-A84 PolarHBondContact O-N 3.46Å; E82-A85 HydrophobicContact CB-CB 4.01Å; E82-A85 PolarHBondContact O-N 3.25Å; E82-V86 WeakPolarHBondContact O-CG2 3.41Å; E82-V86 PolarHBondContact O-N 2.83Å
83R96.3Very high93.9Very high194 Ų194124.4 Ų124.473%0.73260%0.603SS**Hα-helixtrans-58.9-41.3-174.8-172.6-180178.4104.7-3.1112.6Y81 V86 R87Y81-R83 HydrophobicContact CE1-CB 4.34Å; R83-V86 PolarHBondContact O-N 2.92Å; R83-R87 WeakPolarHBondContact O-CB 3.4Å; R83-R87 PolarHBondContact O-N 2.89Å
84A96.2Very high94.2Very high67 Ų67118.9 Ų118.955%0.55459%0.591SS**Hα-helixtrans-63.5-41.417900000112E82 K88E82-A84 VanDerWaalsContact C-N 3.31Å; E82-A84 PolarHBondContact O-N 3.46Å; A84-K88 WeakPolarHBondContact O-CG 3.32Å; A84-K88 PolarHBondContact O-N 2.94Å; A84-K88 VanDerWaalsContact O-N 3.16Å
85A94.3Very high94.5Very high37 Ų37118 Ų11831%0.30659%0.587SS.*Hα-helixtrans-66.2-44.3176.100000111.5E82 R87 K88 I89E82-A85 HydrophobicContact CB-CB 4.01Å; E82-A85 PolarHBondContact O-N 3.25Å; A85-R87 PolarHBondContact O-N 3.44Å; A85-K88 PolarHBondContact O-N 3.48Å; A85-I89 VanDerWaalsContact O-CG1 3.29Å; A85-I89 WeakPolarHBondContact O-CG1 3.43Å; A85-I89 PolarHBondContact O-N 3.01Å
86V95.3Very high94.8Very high58 Ų58111.7 Ų111.735%0.35257%0.566SS.*Hα-helixtrans-62-42.5177.7174.80000111.4Y81 E82 R83 I89 V90Y81-V86 HydrophobicContact CD2-CG2 3.96Å; Y81-V86 HydrophobicContact CE2-CB 4.43Å; Y81-V86 HydrophobicContact CE2-CG2 3.78Å; E82-V86 WeakPolarHBondContact O-CG2 3.41Å; E82-V86 PolarHBondContact O-N 2.83Å; R83-V86 PolarHBondContact O-N 2.92Å; V86-I89 PolarHBondContact O-N 2.82Å; V86-V90 HydrophobicContact CG1-CG2 4.28Å; V86-V90 WeakPolarHBondContact O-CG2 3.33Å; V86-V90 PolarHBondContact O-N 3.31Å
87R96.9Very high95Very high184 Ų184108.6 Ų108.669%0.69455%0.55SS*.Hα-helixtrans-59.4-49.3176.6-169.3176.2-172.51764111.7R83 A85 I89 V90 D91R83-R87 WeakPolarHBondContact O-CB 3.4Å; R83-R87 PolarHBondContact O-N 2.89Å; A85-R87 PolarHBondContact O-N 3.44Å; R87-I89 PolarHBondContact O-N 3.49Å; R87-V90 PolarHBondContact O-N 3Å; R87-D91 VanDerWaalsContact O-CG 3.23Å; R87-D91 PolarHBondContact O-N 3.02Å
88K96.5Very high95.3Very high159 Ų159111 Ų11169%0.69155%0.551SS**Hα-helixtrans-55.4-39.7175.3-70.8174.6-177.3-178.90112.2A84 A85 A92A84-K88 WeakPolarHBondContact O-CG 3.32Å; A84-K88 PolarHBondContact O-N 2.94Å; A84-K88 VanDerWaalsContact O-N 3.16Å; A85-K88 PolarHBondContact O-N 3.48Å; K88-A92 VanDerWaalsContact O-CB 3.32Å; K88-A92 WeakPolarHBondContact O-CB 3.45Å; K88-A92 PolarHBondContact O-N 3.12Å; K88-A92 VanDerWaalsContact O-N 3.15Å
89I94.7Very high95.7Very high87 Ų87106.6 Ų106.645%0.44653%0.528SS..Hα-helixtrans-68-48.8178.1-67.2163.5000110.9A85 V86 R87 D91 A92 V93A85-I89 VanDerWaalsContact O-CG1 3.29Å; A85-I89 WeakPolarHBondContact O-CG1 3.43Å; A85-I89 PolarHBondContact O-N 3.01Å; V86-I89 PolarHBondContact O-N 2.82Å; R87-I89 PolarHBondContact O-N 3.49Å; I89-D91 VanDerWaalsContact C-N 3.28Å; I89-D91 PolarHBondContact O-N 3.03Å; I89-A92 PolarHBondContact O-N 2.9Å; I89-A92 VanDerWaalsContact O-N 3.1Å; I89-V93 HydrophobicContact CG2-CG2 4.48Å; I89-V93 WeakPolarHBondContact O-CG2 3.5Å; I89-V93 PolarHBondContact O-N 2.91Å; I89-V93 VanDerWaalsContact O-N 3.09Å
90V95.9Very high96.1Very high91 Ų91101.6 Ų101.655%0.55250%0.5SS*.Hα-helixtrans-59.2-41.9-179.7172.70000110.8V86 R87 A92 P94V86-V90 HydrophobicContact CG1-CG2 4.28Å; V86-V90 WeakPolarHBondContact O-CG2 3.33Å; V86-V90 PolarHBondContact O-N 3.31Å; R87-V90 PolarHBondContact O-N 3Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 3.41Å; V90-P94 WeakPolarHBondContact O-CD 3.5Å
91D97.1Very high96.2Very high90 Ų9097 Ų9748%0.48148%0.481SS..Hα-helixtrans-68.2-29.2177.6-62.5-23.4000112.8R87 I89R87-D91 VanDerWaalsContact O-CG 3.23Å; R87-D91 PolarHBondContact O-N 3.02Å; I89-D91 VanDerWaalsContact C-N 3.28Å; I89-D91 PolarHBondContact O-N 3.03Å
92A97Very high96.3Very high38 Ų3897.4 Ų97.431%0.31449%0.486SS..Hα-helixtrans-79.6-33.4-179.500000113.7K88 I89 V90 K95 I96K88-A92 VanDerWaalsContact O-CB 3.32Å; K88-A92 WeakPolarHBondContact O-CB 3.45Å; K88-A92 PolarHBondContact O-N 3.12Å; K88-A92 VanDerWaalsContact O-N 3.15Å; I89-A92 PolarHBondContact O-N 2.9Å; I89-A92 VanDerWaalsContact O-N 3.1Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 3.41Å; A92-K95 WeakPolarHBondContact O-CB 3.31Å; A92-K95 PolarHBondContact O-N 3.36Å; A92-I96 HydrophobicContact CB-CD1 4.37Å; A92-I96 WeakPolarHBondContact O-CG1 3.35Å; A92-I96 PolarHBondContact O-N 3.04Å
93V96.1Very high96.4Very high86 Ų8696.4 Ų96.452%0.52148%0.477SS..Hα-helixtrans-52.3-52.3-178169.70000113.8I89 K95 I96 D97I89-V93 HydrophobicContact CG2-CG2 4.48Å; I89-V93 WeakPolarHBondContact O-CG2 3.5Å; I89-V93 PolarHBondContact O-N 2.91Å; I89-V93 VanDerWaalsContact O-N 3.09Å; V93-K95 VanDerWaalsContact C-N 3.29Å; V93-K95 PolarHBondContact O-N 3.04Å; V93-I96 PolarHBondContact O-N 3.26Å; V93-D97 PolarHBondContact O-N 3.02Å
94P97.1Very high96.4Very high65 Ų6589.7 Ų89.742%0.42245%0.454SS..Hα-helixtrans-64.2-34-17924.4-33.9000112.4V90 D97 Q98V90-P94 WeakPolarHBondContact O-CD 3.5Å; P94-D97 PolarHBondContact O-N 3.14Å; P94-Q98 VanDerWaalsContact O-CG 3.28Å; P94-Q98 WeakPolarHBondContact O-CG 3.38Å; P94-Q98 PolarHBondContact O-N 3.49Å
95K96.6Very high96.4Very high138 Ų13889.9 Ų89.960%0.645%0.451SS*.Hα-helixtrans-64.7-44176-63.9-179.3-179.9177.60111.3A92 V93 D97 Q98 I99A92-K95 WeakPolarHBondContact O-CB 3.31Å; A92-K95 PolarHBondContact O-N 3.36Å; V93-K95 VanDerWaalsContact C-N 3.29Å; V93-K95 PolarHBondContact O-N 3.04Å; K95-D97 VanDerWaalsContact C-N 3.33Å; K95-D97 PolarHBondContact O-N 3.5Å; K95-Q98 PolarHBondContact O-N 3.18Å; K95-I99 VanDerWaalsContact O-CG1 3.28Å; K95-I99 WeakPolarHBondContact O-CG1 3.5Å; K95-I99 PolarHBondContact O-N 3.39Å; K95-I99 VanDerWaalsContact O-N 3.1Å
96I96.4Very high96.5Very high40 Ų4091 Ų9121%0.20546%0.46CS..Hα-helixtrans-62.7-42.9177.2-65.6163.7000110.4F71 A92 V93 I99 K100F71-I96 HydrophobicContact CB-CD1 4.49Å; F71-I96 HydrophobicContact CB-CG2 4.46Å; F71-I96 HydrophobicContact CD1-CD1 3.98Å; F71-I96 HydrophobicContact CD2-CD1 4.07Å; F71-I96 HydrophobicContact CD2-CG1 4.35Å; F71-I96 HydrophobicContact CD2-CG2 3.73Å; F71-I96 HydrophobicContact CE1-CD1 4.18Å; F71-I96 HydrophobicContact CE2-CD1 4.28Å; F71-I96 HydrophobicContact CE2-CG1 4.36Å; F71-I96 HydrophobicContact CE2-CG2 4.31Å; F71-I96 HydrophobicContact CG-CD1 3.92Å; F71-I96 HydrophobicContact CG-CG2 4.28Å; F71-I96 HydrophobicContact CZ-CD1 4.33Å; A92-I96 HydrophobicContact CB-CD1 4.37Å; A92-I96 WeakPolarHBondContact O-CG1 3.35Å; A92-I96 PolarHBondContact O-N 3.04Å; V93-I96 PolarHBondContact O-N 3.26Å; I96-I99 PolarHBondContact O-N 3.45Å; I96-K100 WeakPolarHBondContact O-CB 3.43Å; I96-K100 PolarHBondContact O-N 2.95Å
97D96.5Very high96.6Very high71 Ų7191.4 Ų91.438%0.3846%0.458SS..Hα-helixtrans-65.2-43.1-179.9-165.954.5000112.3V93 P94 K95 I99 K100 H101V93-D97 PolarHBondContact O-N 3.02Å; P94-D97 PolarHBondContact O-N 3.14Å; K95-D97 VanDerWaalsContact C-N 3.33Å; K95-D97 PolarHBondContact O-N 3.5Å; D97-I99 PolarHBondContact O-N 3.32Å; D97-K100 WeakPolarHBondContact O-CB 3.34Å; D97-K100 PolarHBondContact O-N 3.33Å; D97-H101 WeakPolarHBondContact O-CB 3.49Å; D97-H101 PolarHBondContact O-CD2 2.98Å; D97-H101 VanDerWaalsContact O-CD2 3.26Å; D97-H101 PolarHBondContact O-N 3.45Å; D97-H101 IonicContact OD1-CD2 3.66Å; D97-H101 IonicContact OD1-NE2 3.53Å; D97-H101 IonicContact OD2-CD2 3.43Å; D97-H101 PolarHBondContact OD2-CD2 2.9Å; D97-H101 IonicContact OD2-NE2 3.08Å
98Q97.3Very high96.5Very high137 Ų13785.1 Ų85.164%0.6444%0.437SS*.Hα-helixtrans-59.2-44.5173.3-72.9172.74.700112.3P94 K95 H101 K102P94-Q98 VanDerWaalsContact O-CG 3.28Å; P94-Q98 WeakPolarHBondContact O-CG 3.38Å; P94-Q98 PolarHBondContact O-N 3.49Å; K95-Q98 PolarHBondContact O-N 3.18Å; Q98-H101 PolarHBondContact O-N 3.23Å; Q98-K102 WeakPolarHBondContact O-CB 3.45Å; Q98-K102 PolarHBondContact O-N 3.07Å
99I97Very high96.5Very high82 Ų8285.2 Ų85.242%0.42144%0.438SS..Hα-helixtrans-62.4-46.3177.4-69166.4000110.4K95 I96 D97 K102 R103K95-I99 VanDerWaalsContact O-CG1 3.28Å; K95-I99 WeakPolarHBondContact O-CG1 3.5Å; K95-I99 PolarHBondContact O-N 3.39Å; K95-I99 VanDerWaalsContact O-N 3.1Å; I96-I99 PolarHBondContact O-N 3.45Å; D97-I99 PolarHBondContact O-N 3.32Å; I99-K102 PolarHBondContact O-N 2.96Å; I99-R103 HydrophobicContact CG2-CG 4.5Å; I99-R103 WeakPolarHBondContact O-CG 3.37Å; I99-R103 PolarHBondContact O-N 3.12Å
100K96.2Very high96.6Very high35 Ų3589.4 Ų89.415%0.15245%0.453CS..Hα-helixtrans-57.9-50.8177.4-179.1-177.3174.3-168.20111S68 E72 I96 D97 K102 R103 E104S68-K100 WeakPolarHBondContact OG-CB 3.46Å; E72-K100 IonicContact OE1-NZ 3.48Å; E72-K100 PolarHBondContact OE1-NZ 2.99Å; I96-K100 WeakPolarHBondContact O-CB 3.43Å; I96-K100 PolarHBondContact O-N 2.95Å; D97-K100 WeakPolarHBondContact O-CB 3.34Å; D97-K100 PolarHBondContact O-N 3.33Å; K100-K102 VanDerWaalsContact C-N 3.33Å; K100-K102 PolarHBondContact O-N 3.47Å; K100-R103 PolarHBondContact O-N 3.49Å; K100-E104 WeakPolarHBondContact CE-OE1 3.46Å; K100-E104 HydrophobicContact CG-CG 4.43Å; K100-E104 WeakPolarHBondContact O-CB 3.44Å; K100-E104 WeakPolarHBondContact O-CG 3.22Å; K100-E104 PolarHBondContact O-N 3.2Å
101H96.6Very high96.5Very high95 Ų9589.6 Ų89.644%0.4444%0.443SS..Hα-helixtrans-59.7-41.2178.1-83.4-57.7000112.8D97 Q98 S105D97-H101 WeakPolarHBondContact O-CB 3.49Å; D97-H101 PolarHBondContact O-CD2 2.98Å; D97-H101 VanDerWaalsContact O-CD2 3.26Å; D97-H101 PolarHBondContact O-N 3.45Å; D97-H101 IonicContact OD1-CD2 3.66Å; D97-H101 IonicContact OD1-NE2 3.53Å; D97-H101 IonicContact OD2-CD2 3.43Å; D97-H101 PolarHBondContact OD2-CD2 2.9Å; D97-H101 IonicContact OD2-NE2 3.08Å; Q98-H101 PolarHBondContact O-N 3.23Å; H101-S105 VanDerWaalsContact O-CB 3.26Å; H101-S105 WeakPolarHBondContact O-CB 3.14Å; H101-S105 PolarHBondContact O-N 2.76Å; H101-S105 PolarHBondContact O-OG 2.76Å
102K97.3Very high96.4Very high168 Ų16890 Ų9073%0.7345%0.445SS*.Hα-helixtrans-62.1-45.4176-174.3178.2179.5179.90111.8Q98 I99 K100 S105 A106Q98-K102 WeakPolarHBondContact O-CB 3.45Å; Q98-K102 PolarHBondContact O-N 3.07Å; I99-K102 PolarHBondContact O-N 2.96Å; K100-K102 VanDerWaalsContact C-N 3.33Å; K100-K102 PolarHBondContact O-N 3.47Å; K102-S105 PolarHBondContact O-N 3.11Å; K102-A106 WeakPolarHBondContact O-CB 3.42Å; K102-A106 PolarHBondContact O-N 2.97Å
103R96.9Very high96.3Very high103 Ų10390.7 Ų90.739%0.38945%0.447SS..Hα-helixtrans-66.6-46179.1-70.6178.8-177.3-175.12112.1L63 D66 I99 K100 S105 A106 F107L63-R103 HydrophobicContact CD2-CB 3.94Å; D66-R103 VanDerWaalsContact CG-NH1 3.35Å; D66-R103 WeakPolarHBondContact OD1-CD 3.49Å; D66-R103 IonicContact OD1-CZ 2.76Å; D66-R103 IonicContact OD1-NE 3.45Å; D66-R103 IonicContact OD1-NH1 3.11Å; D66-R103 PolarHBondContact OD1-NH1 2.99Å; D66-R103 WeakPolarHBondContact OD2-CD 3.29Å; D66-R103 IonicContact OD2-NH1 3.31Å; D66-R103 PolarHBondContact OD2-NH1 3.26Å; D66-R103 VanDerWaalsContact OD2-NH1 3.11Å; I99-R103 HydrophobicContact CG2-CG 4.5Å; I99-R103 WeakPolarHBondContact O-CG 3.37Å; I99-R103 PolarHBondContact O-N 3.12Å; K100-R103 PolarHBondContact O-N 3.49Å; R103-S105 VanDerWaalsContact C-N 3.32Å; R103-S105 PolarHBondContact O-N 3.01Å; R103-A106 PolarHBondContact O-N 3.01Å; R103-F107 PolarHBondContact O-N 3.32Å
104E96.2Very high96.1Very high53 Ų5393 Ų9325%0.24845%0.45CS..Hα-helixtrans-60-43.2175.7-72.5179.9177.400111.4L63 K100 F107 I108L63-E104 HydrophobicContact CB-CG 4.47Å; K100-E104 WeakPolarHBondContact CE-OE1 3.46Å; K100-E104 HydrophobicContact CG-CG 4.43Å; K100-E104 WeakPolarHBondContact O-CB 3.44Å; K100-E104 WeakPolarHBondContact O-CG 3.22Å; K100-E104 PolarHBondContact O-N 3.2Å; E104-F107 PolarHBondContact O-N 2.95Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.37Å; E104-I108 PolarHBondContact O-N 3.31Å
105S96.9Very high96Very high71 Ų7191.4 Ų91.450%0.49745%0.446SS..Hα-helixtrans-64-42177.2-59.90000112.1H101 K102 R103 I108 K109H101-S105 VanDerWaalsContact O-CB 3.26Å; H101-S105 WeakPolarHBondContact O-CB 3.14Å; H101-S105 PolarHBondContact O-N 2.76Å; H101-S105 PolarHBondContact O-OG 2.76Å; K102-S105 PolarHBondContact O-N 3.11Å; R103-S105 VanDerWaalsContact C-N 3.32Å; R103-S105 PolarHBondContact O-N 3.01Å; S105-I108 PolarHBondContact O-N 2.89Å; S105-K109 WeakPolarHBondContact O-CB 3.28Å; S105-K109 PolarHBondContact O-N 3.29Å
106A96.8Very high95.9Very high60 Ų6088.8 Ų88.850%0.49644%0.442SS..Hα-helixtrans-62.5-43175.300000111.9K102 R103 K109 K110K102-A106 WeakPolarHBondContact O-CB 3.42Å; K102-A106 PolarHBondContact O-N 2.97Å; R103-A106 PolarHBondContact O-N 3.01Å; A106-K109 PolarHBondContact O-N 2.5Å; A106-K110 WeakPolarHBondContact O-CB 3.32Å; A106-K110 PolarHBondContact O-N 3.37Å
107F96.6Very high95.8Very high67 Ų6792.4 Ų92.429%0.29446%0.458SS..Hα-helixtrans-60.2-46.3175.3-178.6-93.5000111.8G60 E62 L63 R103 E104 K109 K110 R111G60-F107 WeakPolarHBondContact O-CZ 3.35Å; E62-F107 VanDerWaalsContact C-CE1 3.43Å; L63-F107 HydrophobicContact CB-CB 4.24Å; L63-F107 HydrophobicContact CB-CD1 4.34Å; L63-F107 HydrophobicContact CB-CD2 4.42Å; L63-F107 HydrophobicContact CB-CG 4.08Å; L63-F107 HydrophobicContact CD1-CD2 3.83Å; L63-F107 HydrophobicContact CD1-CE2 4.34Å; L63-F107 HydrophobicContact CD1-CG 4.28Å; R103-F107 PolarHBondContact O-N 3.32Å; E104-F107 PolarHBondContact O-N 2.95Å; F107-K109 PolarHBondContact O-N 2.95Å; F107-K110 PolarHBondContact O-N 3Å; F107-R111 PolarHBondContact O-N 3.22Å
108I95.6Very high95.7Very high51 Ų5192.8 Ų92.826%0.26246%0.459SS..Hα-helixtrans-63.2-43.6177.6-67.6165.8000110.7E104 S105 R111 L112E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.37Å; E104-I108 PolarHBondContact O-N 3.31Å; S105-I108 PolarHBondContact O-N 2.89Å; I108-R111 PolarHBondContact O-N 3.31Å; I108-L112 HydrophobicContact CG2-CD1 3.78Å; I108-L112 HydrophobicContact CG2-CG 4.31Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 3.47Å
109K96.1Very high95.6Very high162 Ų16293 Ų9370%0.70445%0.454SS*.Hα-helixtrans-61.4-46.9178.6-172.7178.9-179.6-178.20111.7S105 A106 F107 R111 L112 S113S105-K109 WeakPolarHBondContact O-CB 3.28Å; S105-K109 PolarHBondContact O-N 3.29Å; A106-K109 PolarHBondContact O-N 2.5Å; F107-K109 PolarHBondContact O-N 2.95Å; K109-R111 VanDerWaalsContact C-N 3.29Å; K109-R111 PolarHBondContact O-N 2.98Å; K109-L112 PolarHBondContact O-N 3.45Å; K109-L112 VanDerWaalsContact O-N 3.14Å; K109-S113 PolarHBondContact O-N 2.88Å
110K95.6Very high95.5Very high174 Ų17497.8 Ų97.876%0.75747%0.467SS*.Hα-helixtrans-60.5-38176.3-174.6177.1-178.41780112A106 F107 S113A106-K110 WeakPolarHBondContact O-CB 3.32Å; A106-K110 PolarHBondContact O-N 3.37Å; F107-K110 PolarHBondContact O-N 3Å; K110-S113 PolarHBondContact O-OG 2.97Å
111R94.6Very high95.5Very high95 Ų95101 Ų10136%0.35848%0.482SS..Hα-helixtrans-67.7-37.6175.6-170.1-163.268-161.7-7112.2K61 F107 I108 K109K61-R111 VanDerWaalsContact CB-NH1 3.31Å; K61-R111 PolarHBondContact O-NH1 2.72Å; F107-R111 PolarHBondContact O-N 3.22Å; I108-R111 PolarHBondContact O-N 3.31Å; K109-R111 VanDerWaalsContact C-N 3.29Å; K109-R111 PolarHBondContact O-N 2.98Å
112L94.8Very high95.4Very high100 Ų100102 Ų10252%0.52449%0.487SS..Hα-helixtrans-78.7-23.1-177.2-70.2174.8000113.5I108 K109 K114 G115I108-L112 HydrophobicContact CG2-CD1 3.78Å; I108-L112 HydrophobicContact CG2-CG 4.31Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 3.47Å; K109-L112 PolarHBondContact O-N 3.45Å; K109-L112 VanDerWaalsContact O-N 3.14Å; L112-K114 VanDerWaalsContact C-N 3.29Å; L112-K114 PolarHBondContact O-N 3.05Å; L112-G115 PolarHBondContact O-N 2.95Å
113S94.3Very high95.4Very high51 Ų5198.6 Ų98.636%0.35748%0.477SS..Hα-helixtrans-59.4-37.7-179.663.10000112.9K109 K110 G115 V116 E117K109-S113 PolarHBondContact O-N 2.88Å; K110-S113 PolarHBondContact O-OG 2.97Å; S113-G115 PolarHBondContact O-N 3.25Å; S113-V116 WeakPolarHBondContact O-CA 3.37Å; S113-V116 WeakPolarHBondContact O-CB 3.26Å; S113-V116 PolarHBondContact O-N 2.93Å; S113-E117 PolarHBondContact O-N 3.38Å
114K93.3Very high95.3Very high134 Ų13498.1 Ų98.158%0.58348%0.481SS*.Hα-helixtrans-56.5-33.4174.7-174.7171.9-177.4172.40113L112 V116 E117 L118L112-K114 VanDerWaalsContact C-N 3.29Å; L112-K114 PolarHBondContact O-N 3.05Å; K114-V116 VanDerWaalsContact C-N 3.28Å; K114-V116 PolarHBondContact O-N 3.44Å; K114-E117 PolarHBondContact O-N 3.46Å; K114-L118 HydrophobicContact CG-CD1 4.44Å; K114-L118 WeakPolarHBondContact O-CG 3.35Å; K114-L118 PolarHBondContact O-N 3.05Å; K114-L118 VanDerWaalsContact O-N 3.13Å
115G94.5Very high95.3Very high32 Ų32101.8 Ų101.833%0.3350%0.496SS..Hα-helixtrans-75.1-15176.600000113.9L112 S113 R119L112-G115 PolarHBondContact O-N 2.95Å; S113-G115 PolarHBondContact O-N 3.25Å; G115-R119 WeakPolarHBondContact O-CG 3.28Å; G115-R119 PolarHBondContact O-NE 3.35Å
116V94.4Very high95.2Very high84 Ų84102.4 Ų102.451%0.50949%0.494SS..Hα-helixtrans-79.3-42.5170.9-177.60000109.7S113 K114 R119 R120S113-V116 WeakPolarHBondContact O-CA 3.37Å; S113-V116 WeakPolarHBondContact O-CB 3.26Å; S113-V116 PolarHBondContact O-N 2.93Å; K114-V116 VanDerWaalsContact C-N 3.28Å; K114-V116 PolarHBondContact O-N 3.44Å; V116-R119 PolarHBondContact O-N 2.86Å; V116-R120 PolarHBondContact O-N 3.3Å; V116-R120 VanDerWaalsContact O-N 3.12Å
117E93.7Very high94.9Very high116 Ų116102.8 Ų102.854%0.54249%0.49SS..Hα-helixtrans-60-51.3176.7-67.6158.2-161.500111.4S113 K114 R119 R120 E121S113-E117 PolarHBondContact O-N 3.38Å; K114-E117 PolarHBondContact O-N 3.46Å; E117-R119 VanDerWaalsContact C-N 3.33Å; E117-R119 PolarHBondContact O-N 3.48Å; E117-R120 WeakPolarHBondContact O-CB 3.42Å; E117-R120 PolarHBondContact O-N 3.02Å; E117-R120 VanDerWaalsContact O-N 3.12Å; E117-E121 PolarHBondContact O-N 3.36Å; E117-E121 VanDerWaalsContact O-N 3.12Å
118L95.4Very high94.7Very high78 Ų78105.5 Ų105.541%0.40851%0.507SS..Hα-helixtrans-60.3-40.2178.9-68.9174.4000113.1K114 R120 E121 E122K114-L118 HydrophobicContact CG-CD1 4.44Å; K114-L118 WeakPolarHBondContact O-CG 3.35Å; K114-L118 PolarHBondContact O-N 3.05Å; K114-L118 VanDerWaalsContact O-N 3.13Å; L118-R120 VanDerWaalsContact C-N 3.34Å; L118-R120 PolarHBondContact O-N 3.27Å; L118-E121 PolarHBondContact O-N 3.34Å; L118-E122 WeakPolarHBondContact O-CG 3.43Å; L118-E122 PolarHBondContact O-N 3.24Å
119R95.5Very high94.6Very high142 Ų142107.7 Ų107.754%0.53652%0.523SS..Hα-helixtrans-63.3-40.5176.3-80-176.1-69.7156.10.3111.8G115 V116 E117 E121 E122 D123G115-R119 WeakPolarHBondContact O-CG 3.28Å; G115-R119 PolarHBondContact O-NE 3.35Å; V116-R119 PolarHBondContact O-N 2.86Å; E117-R119 VanDerWaalsContact C-N 3.33Å; E117-R119 PolarHBondContact O-N 3.48Å; R119-E121 VanDerWaalsContact C-N 3.31Å; R119-E121 PolarHBondContact O-N 3.21Å; R119-E122 PolarHBondContact O-N 2.92Å; R119-D123 WeakPolarHBondContact O-CB 3.4Å; R119-D123 PolarHBondContact O-N 2.92Å
120R94.7Very high94.3Very high183 Ų183103.9 Ų103.969%0.69151%0.508SS*.Hα-helixtrans-61.3-40.4176.1-172.8-179.8-177.3-1790.1111.7V116 E117 L118 I124V116-R120 PolarHBondContact O-N 3.3Å; V116-R120 VanDerWaalsContact O-N 3.12Å; E117-R120 WeakPolarHBondContact O-CB 3.42Å; E117-R120 PolarHBondContact O-N 3.02Å; E117-R120 VanDerWaalsContact O-N 3.12Å; L118-R120 VanDerWaalsContact C-N 3.34Å; L118-R120 PolarHBondContact O-N 3.27Å; R120-I124 HydrophobicContact CG-CD1 4.39Å; R120-I124 WeakPolarHBondContact O-CD1 3.48Å; R120-I124 VanDerWaalsContact O-CG1 3.29Å; R120-I124 WeakPolarHBondContact O-CG1 3.39Å; R120-I124 PolarHBondContact O-N 3.33Å; R120-I124 VanDerWaalsContact O-N 3.13Å
121E95.5Very high93.8Very high101 Ų101100.2 Ų100.247%0.47250%0.495SS..Hα-helixtrans-67.2-40.9175.8-67.3171.5-167.900112.3E117 L118 R119 I124 K125E117-E121 PolarHBondContact O-N 3.36Å; E117-E121 VanDerWaalsContact O-N 3.12Å; L118-E121 PolarHBondContact O-N 3.34Å; R119-E121 VanDerWaalsContact C-N 3.31Å; R119-E121 PolarHBondContact O-N 3.21Å; E121-I124 PolarHBondContact O-N 3.08Å; E121-K125 WeakPolarHBondContact O-CG 3.47Å; E121-K125 PolarHBondContact O-N 2.98Å; E121-K125 VanDerWaalsContact O-N 3.11Å
122E95.6Very high93.3Very high118 Ų118101.3 Ų101.355%0.55150%0.503SS*.Hα-helixtrans-62.7-43.3174.3-72.9169177.800111.4L118 R119 I124 K125 L126L118-E122 WeakPolarHBondContact O-CG 3.43Å; L118-E122 PolarHBondContact O-N 3.24Å; R119-E122 PolarHBondContact O-N 2.92Å; E122-I124 PolarHBondContact O-N 2.64Å; E122-K125 PolarHBondContact O-N 3.21Å; E122-L126 WeakPolarHBondContact O-CB 3.35Å; E122-L126 PolarHBondContact O-N 3.33Å
123D95.9Very high92.8Very high96 Ų96101.9 Ų101.951%0.51351%0.507SS..Hα-helixtrans-61.7-43.6177.9-67-24.4000111.3R119 K125 L126 V127R119-D123 WeakPolarHBondContact O-CB 3.4Å; R119-D123 PolarHBondContact O-N 2.92Å; D123-K125 PolarHBondContact O-N 2.76Å; D123-L126 WeakPolarHBondContact O-CB 3.15Å; D123-L126 PolarHBondContact O-N 2.92Å; D123-V127 VanDerWaalsContact O-CG2 3.31Å; D123-V127 WeakPolarHBondContact O-CG2 3.41Å; D123-V127 PolarHBondContact O-N 3.46Å
124I95.1Very high92.2Very high92 Ų92105.8 Ų105.847%0.47252%0.522SS..Hα-helixtrans-61.7-43.9175.7-67163.9000110.7R120 E121 E122 L126 V127 N128R120-I124 HydrophobicContact CG-CD1 4.39Å; R120-I124 WeakPolarHBondContact O-CD1 3.48Å; R120-I124 VanDerWaalsContact O-CG1 3.29Å; R120-I124 WeakPolarHBondContact O-CG1 3.39Å; R120-I124 PolarHBondContact O-N 3.33Å; R120-I124 VanDerWaalsContact O-N 3.13Å; E121-I124 PolarHBondContact O-N 3.08Å; E122-I124 PolarHBondContact O-N 2.64Å; I124-L126 VanDerWaalsContact C-N 3.33Å; I124-L126 PolarHBondContact O-N 3.49Å; I124-V127 PolarHBondContact O-N 3.15Å; I124-N128 VanDerWaalsContact O-CG 3.24Å; I124-N128 PolarHBondContact O-N 3.28Å; I124-N128 VanDerWaalsContact O-N 3.08Å; I124-N128 PolarHBondContact O-ND2 3.5Å
125K95.6Very high91.3Very high131 Ų131104 Ų10457%0.5752%0.516SS*.Hα-helixtrans-64-38.6176.8-72.3172.1-176.9173.20112.2E121 E122 D123 N128 T129E121-K125 WeakPolarHBondContact O-CG 3.47Å; E121-K125 PolarHBondContact O-N 2.98Å; E121-K125 VanDerWaalsContact O-N 3.11Å; E122-K125 PolarHBondContact O-N 3.21Å; D123-K125 PolarHBondContact O-N 2.76Å; K125-N128 PolarHBondContact O-N 3.44Å; K125-T129 WeakPolarHBondContact O-CG2 3.4Å; K125-T129 PolarHBondContact O-N 3.39Å; K125-T129 VanDerWaalsContact O-N 3.08Å; K125-T129 PolarHBondContact O-OG1 3.48Å
126L94.7Very high90.4Very high84 Ų84105.3 Ų105.344%0.4452%0.524SS..Hα-helixtrans-62.8-49.6178.2-167.972.7000110.5E122 D123 I124 N128 T129 Q130E122-L126 WeakPolarHBondContact O-CB 3.35Å; E122-L126 PolarHBondContact O-N 3.33Å; D123-L126 WeakPolarHBondContact O-CB 3.15Å; D123-L126 PolarHBondContact O-N 2.92Å; I124-L126 VanDerWaalsContact C-N 3.33Å; I124-L126 PolarHBondContact O-N 3.49Å; L126-N128 VanDerWaalsContact C-N 3.32Å; L126-N128 PolarHBondContact O-N 3.26Å; L126-T129 PolarHBondContact O-N 3.01Å; L126-T129 PolarHBondContact O-OG1 3.34Å; L126-Q130 HydrophobicContact CD1-CG 4.31Å; L126-Q130 WeakPolarHBondContact O-CA 3.37Å; L126-Q130 WeakPolarHBondContact O-CB 3.46Å; L126-Q130 PolarHBondContact O-N 2.88Å
127V91.6Very high89.3Confident68 Ų68108.5 Ų108.541%0.41255%0.546SS..Hα-helixtrans-58.8-43.61781730000111D123 I124 T129 M131D123-V127 VanDerWaalsContact O-CG2 3.31Å; D123-V127 WeakPolarHBondContact O-CG2 3.41Å; D123-V127 PolarHBondContact O-N 3.46Å; I124-V127 PolarHBondContact O-N 3.15Å; V127-T129 PolarHBondContact O-N 3.23Å; V127-M131 HydrophobicContact CG1-CE 3.39Å; V127-M131 HydrophobicContact CG1-SD 4.46Å; V127-M131 WeakPolarHBondContact O-CB 3.36Å; V127-M131 PolarHBondContact O-N 3.28Å
128N92.1Very high88.2Confident124 Ų124106.2 Ų106.266%0.66355%0.554SS**Hα-helixtrans-67.7-33.9-179.7-69.6-14.2000113.9I124 K125 L126I124-N128 VanDerWaalsContact O-CG 3.24Å; I124-N128 PolarHBondContact O-N 3.28Å; I124-N128 VanDerWaalsContact O-N 3.08Å; I124-N128 PolarHBondContact O-ND2 3.5Å; K125-N128 PolarHBondContact O-N 3.44Å; L126-N128 VanDerWaalsContact C-N 3.32Å; L126-N128 PolarHBondContact O-N 3.26Å
129T92.7Very high86.9Confident97 Ų97105.4 Ų105.460%0.59556%0.558SS**Hα-helixtrans-90.9-36.9-176.751.40000112.9K125 L126 V127 H132K125-T129 WeakPolarHBondContact O-CG2 3.4Å; K125-T129 PolarHBondContact O-N 3.39Å; K125-T129 VanDerWaalsContact O-N 3.08Å; K125-T129 PolarHBondContact O-OG1 3.48Å; L126-T129 PolarHBondContact O-N 3.01Å; L126-T129 PolarHBondContact O-OG1 3.34Å; V127-T129 PolarHBondContact O-N 3.23Å; T129-H132 PolarHBondContact O-CE1 3.1Å; T129-H132 PolarHBondContact O-ND1 3.03Å
130Q90.5Very high85.3Confident81 Ų81108 Ų10838%0.37957%0.574SS.*Hα-helixtrans-112.819.3-169.4-64.6-172-17.200113.7L126 H132 L133L126-Q130 HydrophobicContact CD1-CG 4.31Å; L126-Q130 WeakPolarHBondContact O-CA 3.37Å; L126-Q130 WeakPolarHBondContact O-CB 3.46Å; L126-Q130 PolarHBondContact O-N 2.88Å; Q130-H132 PolarHBondContact O-N 3.19Å; Q130-H132 VanDerWaalsContact O-N 3.09Å; Q130-L133 HydrophobicContact CB-CD1 3.78Å; Q130-L133 HydrophobicContact CB-CG 4.09Å; Q130-L133 HydrophobicContact CG-CD1 3.96Å; Q130-L133 WeakPolarHBondContact O-CB 3.47Å; Q130-L133 PolarHBondContact O-N 2.98Å
131M86Confident83.5Confident98 Ų98108.5 Ų108.548%0.48358%0.575SS.*G310 helixtrans-49.9-38.6176.5-169.464.577.200112.6V127 L133 I134V127-M131 HydrophobicContact CG1-CE 3.39Å; V127-M131 HydrophobicContact CG1-SD 4.46Å; V127-M131 WeakPolarHBondContact O-CB 3.36Å; V127-M131 PolarHBondContact O-N 3.28Å; M131-L133 PolarHBondContact O-N 3.44Å; M131-I134 WeakPolarHBondContact O-CB 3.45Å; M131-I134 PolarHBondContact O-N 3.48Å; M131-I134 VanDerWaalsContact O-N 3.1Å; M131-I134 HydrophobicContact SD-CD1 4.08Å
132H82.5Confident81.5Confident117 Ų117111 Ų11154%0.54259%0.585SS.*G310 helixtrans-61.4-20.6178.666-86.5000114.5T129 Q130 I134T129-H132 PolarHBondContact O-CE1 3.1Å; T129-H132 PolarHBondContact O-ND1 3.03Å; Q130-H132 PolarHBondContact O-N 3.19Å; Q130-H132 VanDerWaalsContact O-N 3.09Å; H132-I134 VanDerWaalsContact C-N 3.26Å; H132-I134 PolarHBondContact O-N 3.03Å
133L85.3Confident79.3Confident113 Ų113115.3 Ų115.359%0.59260%0.596SS**G310 helixtrans-75.4-16.6177.2-61.7-176.8000112.9Q130 M131Q130-L133 HydrophobicContact CB-CD1 3.78Å; Q130-L133 HydrophobicContact CB-CG 4.09Å; Q130-L133 HydrophobicContact CG-CD1 3.96Å; Q130-L133 WeakPolarHBondContact O-CB 3.47Å; Q130-L133 PolarHBondContact O-N 2.98Å; M131-L133 PolarHBondContact O-N 3.44Å
134I82.5Confident76.9Confident133 Ų133116.8 Ų116.868%0.68260%0.6SS**THydrogen-bonded Turntrans-82.8-31.5177.8-55.6174.9000110.1M131 H132 A136M131-I134 WeakPolarHBondContact O-CB 3.45Å; M131-I134 PolarHBondContact O-N 3.48Å; M131-I134 VanDerWaalsContact O-N 3.1Å; M131-I134 HydrophobicContact SD-CD1 4.08Å; H132-I134 VanDerWaalsContact C-N 3.26Å; H132-I134 PolarHBondContact O-N 3.03Å; I134-A136 PolarHBondContact O-N 2.65Å
135E73.5Confident74.7Confident96 Ų96118.1 Ų118.145%0.44961%0.607SS.*SBendtrans-75120.5177.1-68.7-175.9147.300110.1R141E135-R141 IonicContact OE1-NE 3.47Å; E135-R141 PolarHBondContact OE1-NE 3.26Å; E135-R141 IonicContact OE1-NH2 3.88Å
136A75Confident72.3Confident60 Ų60119.4 Ų119.450%0.49662%0.617SS.*  trans-64.8145.4174.400000110I134 G138 A139I134-A136 PolarHBondContact O-N 2.65Å; A136-G138 PolarHBondContact O-N 3.07Å; A136-A139 HydrophobicContact CB-CB 4.06Å; A136-A139 WeakPolarHBondContact O-CB 3.48Å; A136-A139 PolarHBondContact O-N 3.28Å
137P72.6Confident69.8Low150 Ų150120.4 Ų120.497%0.97462%0.623SS**THydrogen-bonded Turntrans-57.1-11.2-175.3-24.632.1000116.2
138G69.9Low67.7Low69 Ų69122.4 Ų122.471%0.71163%0.63SS**THydrogen-bonded Turntrans-130.716.4175.400000114.1A136 K140A136-G138 PolarHBondContact O-N 3.07Å; G138-K140 PolarHBondContact O-N 3.46Å; G138-K140 VanDerWaalsContact O-N 3.12Å
139A68.1Low65.3Low61 Ų61120.1 Ų120.150%0.50462%0.618SS.*  trans-68.8108.7175.200000109.3A136 R141A136-A139 HydrophobicContact CB-CB 4.06Å; A136-A139 WeakPolarHBondContact O-CB 3.48Å; A136-A139 PolarHBondContact O-N 3.28Å; A139-R141 PolarHBondContact O-N 3.27Å; A139-R141 VanDerWaalsContact O-N 3.13Å
140K61.8Low62.9Low197 Ų197119.9 Ų119.986%0.85762%0.62SS**  trans-59.3117.4164.2-66.1-178.8179.9-179.60106.6G138 K142G138-K140 PolarHBondContact O-N 3.46Å; G138-K140 VanDerWaalsContact O-N 3.12Å; K140-K142 PolarHBondContact O-N 2.66Å
141R58.1Low60.9Low193 Ų193124.8 Ų124.873%0.72864%0.643SS**  trans-49.7120.1166.5-77.7-174.7-179.9175.34.4106.2E135 A139 R143E135-R141 IonicContact OE1-NE 3.47Å; E135-R141 PolarHBondContact OE1-NE 3.26Å; E135-R141 IonicContact OE1-NH2 3.88Å; A139-R141 PolarHBondContact O-N 3.27Å; A139-R141 VanDerWaalsContact O-N 3.13Å; R141-R143 PolarHBondContact O-N 3.06Å
142K52.7Low59Low153 Ų153122.2 Ų122.267%0.66564%0.635SS**  trans-65.589.4174.2-155.9-174-176.6-166.20105.9K140 E144K140-K142 PolarHBondContact O-N 2.66Å; K142-E144 WeakPolarHBondContact CE-OE2 3.41Å; K142-E144 HydrophobicContact CG-CB 4.25Å; K142-E144 PolarHBondContact O-N 3.47Å; K142-E144 VanDerWaalsContact O-N 3.1Å
143R49Very low57.5Low208 Ų208121.1 Ų121.179%0.78566%0.655SS**G310 helixtrans-57.9-17.9177.7-92.2178.5171156.6-3.5111.6R141 L145 M146R141-R143 PolarHBondContact O-N 3.06Å; R143-L145 PolarHBondContact O-N 3.24Å; R143-M146 PolarHBondContact O-N 3.05Å
144E46.5Very low55.9Low128 Ų128119.4 Ų119.460%0.59865%0.646SS**G310 helixtrans-70.59.3-177.1-56.7175.5162.700116.6K142 I148K142-E144 WeakPolarHBondContact CE-OE2 3.41Å; K142-E144 HydrophobicContact CG-CB 4.25Å; K142-E144 PolarHBondContact O-N 3.47Å; K142-E144 VanDerWaalsContact O-N 3.1Å; E144-I148 WeakPolarHBondContact O-CD1 3.28Å
145L48.6Very low54.7Low119 Ų119115.8 Ų115.862%0.62363%0.632SS**G310 helixtrans-113.1-10.2172.7-127128000113.7R143R143-L145 PolarHBondContact O-N 3.24Å
146M44.2Very low53.9Low158 Ų158119 Ų11978%0.77865%0.648SS**THydrogen-bonded Turntrans-91.1-22.4170.9-75174.2155.400112.1R143 I148R143-M146 PolarHBondContact O-N 3.05Å; M146-I148 VanDerWaalsContact C-N 3.33Å
147D42.7Very low53Low105 Ų105123.1 Ų123.156%0.56166%0.656SS**SBendtrans-82.2-10.4179-60.1-37.9000113.1S150D147-S150 PolarHBondContact O-OG 3.07Å
148I47.4Very low52.2Low110 Ų110120.2 Ų120.256%0.56463%0.63SS**SBendtrans-81.9-32.2174.1-63.3173.3000110.8E144 M146 S150 E151E144-I148 WeakPolarHBondContact O-CD1 3.28Å; M146-I148 VanDerWaalsContact C-N 3.33Å; I148-S150 VanDerWaalsContact C-N 3.26Å; I148-S150 PolarHBondContact O-N 3.39Å; I148-E151 PolarHBondContact O-N 3.33Å
149D41.8Very low51.8Low77 Ų77118.5 Ų118.541%0.41261%0.606SS.*THydrogen-bonded Turntrans-74.5-16.7178.9-66.9-20.5000112.4
150S43Very low51.3Low92 Ų92121.2 Ų121.264%0.64361%0.609SS**THydrogen-bonded Turntrans-79.4-13.2173.842.80000114.7D147 I148D147-S150 PolarHBondContact O-OG 3.07Å; I148-S150 VanDerWaalsContact C-N 3.26Å; I148-S150 PolarHBondContact O-N 3.39Å
151E48.4Very low51.4Low184 Ų184116.7 Ų116.786%0.8659%0.594SS**THydrogen-bonded Turntrans-97-15.3176.4-70-165.4160.300113.5I148I148-E151 PolarHBondContact O-N 3.33Å
152S46.3Very low51.6Low44 Ų44111.7 Ų111.731%0.30858%0.582SS.*SBendtrans-102.8110.7167.156.10000108.7L154S152-L154 PolarHBondContact O-N 3.45Å
153G51Low52.5Low93 Ų93107.2 Ų107.296%0.95957%0.57SS**  trans-67.546.1-178.400000115.6
154L51.3Low53.8Low77 Ų77101.6 Ų101.640%0.40356%0.555SS.*  trans-102.5136178.8-69.3165.5000108.7S152 E158 T159 L162S152-L154 PolarHBondContact O-N 3.45Å; L154-E158 VanDerWaalsContact CA-OE2 3.27Å; L154-E158 WeakPolarHBondContact CA-OE2 3.17Å; L154-E158 HydrophobicContact CB-CB 4.04Å; L154-E158 HydrophobicContact CD2-CB 4.13Å; L154-E158 HydrophobicContact CD2-CG 4.4Å; L154-E158 WeakPolarHBondContact CD2-OE2 3.17Å; L154-T159 HydrophobicContact CB-CG2 4.36Å; L154-L162 HydrophobicContact CD1-CD1 3.93Å
155S57.7Low55.2Low57 Ų5798.1 Ų98.140%0.39954%0.542SS..  trans-61.6156.3176.558.60000112E157 E158 T159S155-E157 PolarHBondContact O-N 3.35Å; S155-E157 VanDerWaalsContact O-N 3.07Å; S155-E158 PolarHBondContact N-OE2 2.73Å; S155-E158 WeakPolarHBondContact O-CB 3.28Å; S155-E158 PolarHBondContact O-N 3.09Å; S155-E158 VanDerWaalsContact OG-CG 3.3Å; S155-E158 WeakPolarHBondContact OG-CG 3.49Å; S155-E158 PolarHBondContact OG-N 3.19Å; S155-E158 PolarHBondContact OG-OE2 3.3Å; S155-T159 PolarHBondContact O-N 3.02Å; S155-T159 VanDerWaalsContact O-N 3.12Å
156E55Low56.6Low165 Ų16598.4 Ų98.477%0.77154%0.54SS*.Hα-helixtrans-55.4-26.3175.2-66-177.6162.300112.8T159 M160E156-T159 PolarHBondContact O-OG1 3.44Å; E156-T159 VanDerWaalsContact O-OG1 3.1Å; E156-M160 WeakPolarHBondContact O-CE 3.32Å; E156-M160 WeakPolarHBondContact O-CG 3.16Å; E156-M160 PolarHBondContact O-N 3.43Å
157E58Low58Low146 Ų14695.9 Ų95.968%0.68253%0.529SS*.Hα-helixtrans-69.9-43.6173.8-65.3-175.7165.200111.5S155 M160 D161S155-E157 PolarHBondContact O-N 3.35Å; S155-E157 VanDerWaalsContact O-N 3.07Å; E157-M160 PolarHBondContact O-N 2.67Å; E157-D161 PolarHBondContact O-N 3.15Å
158E54.5Low59.6Low89 Ų8996.4 Ų96.442%0.41653%0.529SS..Hα-helixtrans-68.8-35.6179.8-72.6166.8143.800112.3L154 S155 D161 L162L154-E158 VanDerWaalsContact CA-OE2 3.27Å; L154-E158 WeakPolarHBondContact CA-OE2 3.17Å; L154-E158 HydrophobicContact CB-CB 4.04Å; L154-E158 HydrophobicContact CD2-CB 4.13Å; L154-E158 HydrophobicContact CD2-CG 4.4Å; L154-E158 WeakPolarHBondContact CD2-OE2 3.17Å; S155-E158 PolarHBondContact N-OE2 2.73Å; S155-E158 WeakPolarHBondContact O-CB 3.28Å; S155-E158 PolarHBondContact O-N 3.09Å; S155-E158 VanDerWaalsContact OG-CG 3.3Å; S155-E158 WeakPolarHBondContact OG-CG 3.49Å; S155-E158 PolarHBondContact OG-N 3.19Å; S155-E158 PolarHBondContact OG-OE2 3.3Å; E158-D161 PolarHBondContact O-N 3.43Å; E158-L162 WeakPolarHBondContact O-CB 2.95Å; E158-L162 WeakPolarHBondContact O-CD1 3.48Å; E158-L162 WeakPolarHBondContact O-CG 3.14Å; E158-L162 PolarHBondContact O-N 3.1Å
159T61.5Low61Low33 Ų3397 Ų9720%0.20253%0.527CS..Hα-helixtrans-69.7-39.9175.759.60000111.9L154 S155 E156 L162 S163L154-T159 HydrophobicContact CB-CG2 4.36Å; S155-T159 PolarHBondContact O-N 3.02Å; S155-T159 VanDerWaalsContact O-N 3.12Å; E156-T159 PolarHBondContact O-OG1 3.44Å; E156-T159 VanDerWaalsContact O-OG1 3.1Å; T159-L162 PolarHBondContact O-N 2.98Å; T159-S163 PolarHBondContact O-N 2.73Å
160M57.5Low62.7Low117 Ų11798 Ų9858%0.57653%0.529SS*.Hα-helixtrans-62.1-43.7172.9-81.1-165.1-7700111.8E156 E157 S163 L164E156-M160 WeakPolarHBondContact O-CE 3.32Å; E156-M160 WeakPolarHBondContact O-CG 3.16Å; E156-M160 PolarHBondContact O-N 3.43Å; E157-M160 PolarHBondContact O-N 2.67Å; M160-S163 PolarHBondContact O-N 3.45Å; M160-S163 PolarHBondContact O-OG 3.38Å; M160-L164 PolarHBondContact O-N 2.94Å
161D63.7Low64Low102 Ų10297 Ų9755%0.54552%0.519SS..Hα-helixtrans-65.1-40.8178-82.1-15.4000112.4E157 E158 S163 L164 T165E157-D161 PolarHBondContact O-N 3.15Å; E158-D161 PolarHBondContact O-N 3.43Å; D161-S163 PolarHBondContact O-N 3.44Å; D161-L164 PolarHBondContact O-N 3.2Å; D161-T165 WeakPolarHBondContact O-CG2 3.35Å; D161-T165 PolarHBondContact O-N 3.25Å
162L62.9Low65.1Low88 Ų8890.9 Ų90.946%0.46150%0.497SS..Hα-helixtrans-59.4-47173.9-73.5166.6000111.1L154 E158 T159 L164 T165 E166L154-L162 HydrophobicContact CD1-CD1 3.93Å; E158-L162 WeakPolarHBondContact O-CB 2.95Å; E158-L162 WeakPolarHBondContact O-CD1 3.48Å; E158-L162 WeakPolarHBondContact O-CG 3.14Å; E158-L162 PolarHBondContact O-N 3.1Å; T159-L162 PolarHBondContact O-N 2.98Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 3.17Å; L162-T165 PolarHBondContact O-N 2.93Å; L162-T165 PolarHBondContact O-OG1 2.98Å; L162-E166 WeakPolarHBondContact O-CG 3.38Å; L162-E166 PolarHBondContact O-N 3.08Å
163S72.6Confident66.4Low59 Ų5995.9 Ų95.941%0.41351%0.513SS..Hα-helixtrans-62-39.1178.481.50000112.8T159 M160 D161 E166 L167T159-S163 PolarHBondContact O-N 2.73Å; M160-S163 PolarHBondContact O-N 3.45Å; M160-S163 PolarHBondContact O-OG 3.38Å; D161-S163 PolarHBondContact O-N 3.44Å; S163-E166 PolarHBondContact O-N 3.07Å; S163-L167 WeakPolarHBondContact O-CG 3.35Å; S163-L167 PolarHBondContact O-N 3.16Å
164L75.2Confident67.1Low91 Ų9199.3 Ų99.348%0.47650%0.497SS..Hα-helixtrans-66.3-43.2177.4-175.962000110.5M160 D161 L162 E166 L167 E168M160-L164 PolarHBondContact O-N 2.94Å; D161-L164 PolarHBondContact O-N 3.2Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 3.17Å; L164-E166 VanDerWaalsContact C-N 3.29Å; L164-E166 PolarHBondContact O-N 3.18Å; L164-L167 PolarHBondContact O-N 3.05Å; L164-E168 WeakPolarHBondContact O-CG 3.17Å; L164-E168 PolarHBondContact O-N 3Å
165T75.5Confident67.8Low54 Ų54102.3 Ų102.333%0.33151%0.507SS..Hα-helixtrans-64.5-34.1178.371.80000112.3D161 L162 E168 K169D161-T165 WeakPolarHBondContact O-CG2 3.35Å; D161-T165 PolarHBondContact O-N 3.25Å; L162-T165 PolarHBondContact O-N 2.93Å; L162-T165 PolarHBondContact O-OG1 2.98Å; T165-E168 PolarHBondContact O-N 3.35Å; T165-K169 WeakPolarHBondContact O-CB 3.29Å; T165-K169 VanDerWaalsContact O-CG 3.26Å; T165-K169 WeakPolarHBondContact O-CG 3.49Å; T165-K169 PolarHBondContact O-N 3.37Å
166E78.3Confident68.3Low126 Ų126104.3 Ų104.359%0.58952%0.517SS*.Hα-helixtrans-68.6-44.8175.3-72.6-172.4167.700112L162 S163 L164 E168 K169 E170L162-E166 WeakPolarHBondContact O-CG 3.38Å; L162-E166 PolarHBondContact O-N 3.08Å; S163-E166 PolarHBondContact O-N 3.07Å; L164-E166 VanDerWaalsContact C-N 3.29Å; L164-E166 PolarHBondContact O-N 3.18Å; E166-E168 VanDerWaalsContact C-N 3.29Å; E166-E168 PolarHBondContact O-N 3.45Å; E166-K169 WeakPolarHBondContact O-CB 3.36Å; E166-K169 PolarHBondContact O-N 2.98Å; E166-K169 VanDerWaalsContact O-N 3.15Å; E166-E170 PolarHBondContact O-N 3.38Å
167L73Confident68.8Low104 Ų10499.8 Ų99.855%0.54550%0.5SS..Hα-helixtrans-61.6-37.7173.7-71.4172000111.8S163 L164 E170 T171S163-L167 WeakPolarHBondContact O-CG 3.35Å; S163-L167 PolarHBondContact O-N 3.16Å; L164-L167 PolarHBondContact O-N 3.05Å; L167-E170 PolarHBondContact O-N 3.06Å; L167-T171 WeakPolarHBondContact O-CB 3.37Å; L167-T171 VanDerWaalsContact O-CG2 3.22Å; L167-T171 WeakPolarHBondContact O-CG2 3.32Å; L167-T171 PolarHBondContact O-N 3.45Å; L167-T171 PolarHBondContact O-OG1 3.41Å
168E76.9Confident69.1Low117 Ų11797.3 Ų97.355%0.54749%0.491SS..Hα-helixtrans-64.7-41.6172.8-74.4-170160.400112.4L164 T165 E166 T171 S172L164-E168 WeakPolarHBondContact O-CG 3.17Å; L164-E168 PolarHBondContact O-N 3Å; T165-E168 PolarHBondContact O-N 3.35Å; E166-E168 VanDerWaalsContact C-N 3.29Å; E166-E168 PolarHBondContact O-N 3.45Å; E168-T171 WeakPolarHBondContact CA-OG1 3.29Å; E168-T171 PolarHBondContact O-N 3.18Å; E168-T171 PolarHBondContact O-OG1 3.16Å; E168-T171 VanDerWaalsContact O-OG1 3.05Å; E168-S172 VanDerWaalsContact O-CB 3.31Å; E168-S172 WeakPolarHBondContact O-CB 3.41Å; E168-S172 PolarHBondContact O-N 2.95Å; E168-S172 PolarHBondContact O-OG 3.34Å
169K77.4Confident69.5Low123 Ų123100.5 Ų100.554%0.53550%0.504SS..Hα-helixtrans-63.2-41.1173.9-74.5167.3-172.1165.10112T165 E166 S172 K173T165-K169 WeakPolarHBondContact O-CB 3.29Å; T165-K169 VanDerWaalsContact O-CG 3.26Å; T165-K169 WeakPolarHBondContact O-CG 3.49Å; T165-K169 PolarHBondContact O-N 3.37Å; E166-K169 WeakPolarHBondContact O-CB 3.36Å; E166-K169 PolarHBondContact O-N 2.98Å; E166-K169 VanDerWaalsContact O-N 3.15Å; K169-S172 VanDerWaalsContact CA-OG 3.31Å; K169-S172 WeakPolarHBondContact CA-OG 3.5Å; K169-S172 PolarHBondContact O-OG 3.27Å; K169-K173 WeakPolarHBondContact O-CB 3.13Å; K169-K173 VanDerWaalsContact O-CG 3.25Å; K169-K173 WeakPolarHBondContact O-CG 3.27Å; K169-K173 PolarHBondContact O-N 3.32Å
170E76.9Confident69.6Low98 Ų98102.2 Ų102.246%0.45852%0.517SS..Hα-helixtrans-67.1-46.5176.1-72.7-154.2164.700112.6E166 L167 S172 K173 R174E166-E170 PolarHBondContact O-N 3.38Å; L167-E170 PolarHBondContact O-N 3.06Å; E170-S172 VanDerWaalsContact C-N 3.32Å; E170-S172 PolarHBondContact O-N 2.9Å; E170-K173 PolarHBondContact O-N 3.35Å; E170-R174 WeakPolarHBondContact O-CG 3.43Å; E170-R174 PolarHBondContact O-N 3.34Å; E170-R174 IonicContact OE2-NH2 3.8Å; E170-R174 PolarHBondContact OE2-NH2 2.88Å
171T71.7Confident70.1Confident69 Ų69103.3 Ų103.342%0.42352%0.519SS..Hα-helixtrans-65.8-36.3-179560000111.7L167 E168 K175L167-T171 WeakPolarHBondContact O-CB 3.37Å; L167-T171 VanDerWaalsContact O-CG2 3.22Å; L167-T171 WeakPolarHBondContact O-CG2 3.32Å; L167-T171 PolarHBondContact O-N 3.45Å; L167-T171 PolarHBondContact O-OG1 3.41Å; E168-T171 WeakPolarHBondContact CA-OG1 3.29Å; E168-T171 PolarHBondContact O-N 3.18Å; E168-T171 PolarHBondContact O-OG1 3.16Å; E168-T171 VanDerWaalsContact O-OG1 3.05Å; T171-K175 WeakPolarHBondContact O-CG 3.44Å; T171-K175 PolarHBondContact O-N 3.37Å
172S70.1Confident70.2Confident57 Ų57102.6 Ų102.640%0.39952%0.518SS..Hα-helixtrans-66.8-44.6171.952.90000112.4E168 K169 E170 R174 K175 V176E168-S172 VanDerWaalsContact O-CB 3.31Å; E168-S172 WeakPolarHBondContact O-CB 3.41Å; E168-S172 PolarHBondContact O-N 2.95Å; E168-S172 PolarHBondContact O-OG 3.34Å; K169-S172 VanDerWaalsContact CA-OG 3.31Å; K169-S172 WeakPolarHBondContact CA-OG 3.5Å; K169-S172 PolarHBondContact O-OG 3.27Å; E170-S172 VanDerWaalsContact C-N 3.32Å; E170-S172 PolarHBondContact O-N 2.9Å; S172-R174 PolarHBondContact O-N 3.28Å; S172-K175 PolarHBondContact O-N 3.31Å; S172-V176 WeakPolarHBondContact O-CG2 3.34Å; S172-V176 PolarHBondContact O-N 2.1Å
173K73.5Confident70.5Confident149 Ų149106.6 Ų106.665%0.64853%0.527SS*.Hα-helixtrans-55.9-47172.5-77.4173.6-176177.10111.5K169 E170 K175 V176 V177K169-K173 WeakPolarHBondContact O-CB 3.13Å; K169-K173 VanDerWaalsContact O-CG 3.25Å; K169-K173 WeakPolarHBondContact O-CG 3.27Å; K169-K173 PolarHBondContact O-N 3.32Å; E170-K173 PolarHBondContact O-N 3.35Å; K173-K175 PolarHBondContact O-N 3.49Å; K173-V176 PolarHBondContact O-N 2.66Å; K173-V177 WeakPolarHBondContact O-CG2 3.38Å; K173-V177 PolarHBondContact O-N 2.91Å
174R66.5Low70.5Confident165 Ų165105.2 Ų105.262%0.62352%0.523SS*.Hα-helixtrans-60.4-45.1176.6-69.8-179.9-166.9-172.39.2112.1E170 S172 V176 V177 D178E170-R174 WeakPolarHBondContact O-CG 3.43Å; E170-R174 PolarHBondContact O-N 3.34Å; E170-R174 IonicContact OE2-NH2 3.8Å; E170-R174 PolarHBondContact OE2-NH2 2.88Å; S172-R174 PolarHBondContact O-N 3.28Å; R174-V176 VanDerWaalsContact C-N 3.33Å; R174-V176 PolarHBondContact O-N 2.92Å; R174-V177 PolarHBondContact O-N 3.29Å; R174-D178 PolarHBondContact O-N 2.76Å
175K65Low70.4Confident140 Ų140108.1 Ų108.161%0.60953%0.531SS*.Hα-helixtrans-60.9-37.5176-76.4173.8-177.6169.50112.9T171 S172 K173 K179T171-K175 WeakPolarHBondContact O-CG 3.44Å; T171-K175 PolarHBondContact O-N 3.37Å; S172-K175 PolarHBondContact O-N 3.31Å; K173-K175 PolarHBondContact O-N 3.49Å; K175-K179 WeakPolarHBondContact O-CB 3.38Å; K175-K179 WeakPolarHBondContact O-CG 3.39Å; K175-K179 PolarHBondContact O-N 3.3Å
176V68.6Low70.4Confident99 Ų99113.2 Ų113.260%0.655%0.549SS*.Hα-helixtrans-66.7-43176.41730000110.6S172 K173 R174 K179 S180S172-V176 WeakPolarHBondContact O-CG2 3.34Å; S172-V176 PolarHBondContact O-N 2.1Å; K173-V176 PolarHBondContact O-N 2.66Å; R174-V176 VanDerWaalsContact C-N 3.33Å; R174-V176 PolarHBondContact O-N 2.92Å; V176-K179 PolarHBondContact O-N 3.42Å; V176-S180 PolarHBondContact O-N 3.29Å; V176-S180 PolarHBondContact O-OG 3.47Å
177V65.6Low70.3Confident69 Ų69112.2 Ų112.242%0.41854%0.544SS..Hα-helixtrans-63.9-40176.6175.90000111.9K173 R174 S180 K181K173-V177 WeakPolarHBondContact O-CG2 3.38Å; K173-V177 PolarHBondContact O-N 2.91Å; R174-V177 PolarHBondContact O-N 3.29Å; V177-S180 PolarHBondContact O-N 3.39Å; V177-S180 PolarHBondContact O-OG 2.99Å; V177-K181 HydrophobicContact CG1-CD 4.25Å; V177-K181 WeakPolarHBondContact O-CB 3.38Å; V177-K181 WeakPolarHBondContact O-CG 3.44Å; V177-K181 PolarHBondContact O-N 3.38Å
178D64.2Low70.5Confident95 Ų95114.3 Ų114.351%0.50855%0.549SS..Hα-helixtrans-69.5-36.5177.2-72.7-27000112.5R174 T182R174-D178 PolarHBondContact O-N 2.76Å; D178-T182 WeakPolarHBondContact O-CB 3.32Å; D178-T182 WeakPolarHBondContact O-CG2 3.43Å; D178-T182 PolarHBondContact O-N 3.5Å; D178-T182 PolarHBondContact O-OG1 2.97Å
179K62.9Low70.6Confident155 Ų155113.3 Ų113.367%0.67455%0.547SS*.Hα-helixtrans-65.9-40.3172.8-79.9-177.8179.9177.50112.2K175 V176 T182 R183K175-K179 WeakPolarHBondContact O-CB 3.38Å; K175-K179 WeakPolarHBondContact O-CG 3.39Å; K175-K179 PolarHBondContact O-N 3.3Å; V176-K179 PolarHBondContact O-N 3.42Å; K179-T182 WeakPolarHBondContact CA-OG1 3.07Å; K179-T182 PolarHBondContact O-OG1 3.44Å; K179-R183 VanDerWaalsContact O-CB 3.31Å; K179-R183 WeakPolarHBondContact O-CB 3.33Å; K179-R183 PolarHBondContact O-N 2.97Å
180S64.7Low70.6Confident70 Ų70110.2 Ų110.249%0.4954%0.544SS..Hα-helixtrans-67.9-42.5177.7680000111.6V176 V177 T182 R183 G184V176-S180 PolarHBondContact O-N 3.29Å; V176-S180 PolarHBondContact O-OG 3.47Å; V177-S180 PolarHBondContact O-N 3.39Å; V177-S180 PolarHBondContact O-OG 2.99Å; S180-T182 PolarHBondContact O-N 3.24Å; S180-R183 PolarHBondContact O-N 3.05Å; S180-G184 PolarHBondContact O-N 3.48Å
181K68Low70.7Confident140 Ų140111.9 Ų111.961%0.60956%0.555SS**Hα-helixtrans-60-45.2174.1-74.8176.7-179.5175.30112.6V177 G184 K185V177-K181 HydrophobicContact CG1-CD 4.25Å; V177-K181 WeakPolarHBondContact O-CB 3.38Å; V177-K181 WeakPolarHBondContact O-CG 3.44Å; V177-K181 PolarHBondContact O-N 3.38Å; K181-G184 PolarHBondContact O-N 3.28Å; K181-K185 PolarHBondContact O-N 3.31Å
182T65.7Low71Confident86 Ų86116.1 Ų116.153%0.52857%0.57SS.*Hα-helixtrans-68.1-37.2178.7460000112.7D178 K179 S180 K185 K186D178-T182 WeakPolarHBondContact O-CB 3.32Å; D178-T182 WeakPolarHBondContact O-CG2 3.43Å; D178-T182 PolarHBondContact O-N 3.5Å; D178-T182 PolarHBondContact O-OG1 2.97Å; K179-T182 WeakPolarHBondContact CA-OG1 3.07Å; K179-T182 PolarHBondContact O-OG1 3.44Å; S180-T182 PolarHBondContact O-N 3.24Å; T182-K185 PolarHBondContact O-N 2.85Å; T182-K186 PolarHBondContact O-N 3.04Å; T182-K186 VanDerWaalsContact O-N 3.07Å
183R69.4Low71.2Confident172 Ų172117.5 Ų117.565%0.64959%0.585SS**Hα-helixtrans-66.8-43.5174.5-172.8176.4156.6-173.5-5.8111.9K179 S180 K185 K186 Q187K179-R183 VanDerWaalsContact O-CB 3.31Å; K179-R183 WeakPolarHBondContact O-CB 3.33Å; K179-R183 PolarHBondContact O-N 2.97Å; S180-R183 PolarHBondContact O-N 3.05Å; R183-K185 VanDerWaalsContact C-N 3.35Å; R183-K185 PolarHBondContact O-N 3.38Å; R183-K186 PolarHBondContact O-N 2.82Å; R183-Q187 PolarHBondContact O-N 3.19Å
184G72.1Confident70.5Confident31 Ų31118 Ų11832%0.3261%0.607SS.*Hα-helixtrans-61.4-40.2174.400000112.8S180 K181 Q187 K188S180-G184 PolarHBondContact O-N 3.48Å; K181-G184 PolarHBondContact O-N 3.28Å; G184-Q187 PolarHBondContact O-N 3.14Å; G184-K188 PolarHBondContact O-N 3.08Å
185K72.9Confident70.7Confident152 Ų152115.7 Ų115.766%0.66161%0.606SS**Hα-helixtrans-63.8-40.8174.5-165.9170.3-175.2172.70112.3K181 T182 R183 I189K181-K185 PolarHBondContact O-N 3.31Å; T182-K185 PolarHBondContact O-N 2.85Å; R183-K185 VanDerWaalsContact C-N 3.35Å; R183-K185 PolarHBondContact O-N 3.38Å; K185-I189 HydrophobicContact CG-CD1 4.12Å; K185-I189 WeakPolarHBondContact O-CD1 3.49Å; K185-I189 VanDerWaalsContact O-CG1 3.22Å; K185-I189 WeakPolarHBondContact O-CG1 3.27Å; K185-I189 PolarHBondContact O-N 3.35Å; K185-I189 VanDerWaalsContact O-N 3.12Å
186K74.2Confident71Confident160 Ų160114.4 Ų114.470%0.69661%0.606SS**Hα-helixtrans-64.9-40174.5-77.7-175.7176.4-175.90112.8T182 R183 I189 A190T182-K186 PolarHBondContact O-N 3.04Å; T182-K186 VanDerWaalsContact O-N 3.07Å; R183-K186 PolarHBondContact O-N 2.82Å; K186-I189 PolarHBondContact O-N 3.46Å; K186-A190 WeakPolarHBondContact O-CB 3.36Å; K186-A190 PolarHBondContact O-N 3.09Å
187Q76.3Confident71.1Confident106 Ų106115.2 Ų115.250%0.49561%0.607SS.*Hα-helixtrans-66-41.7177.5-75.9177.9-27.200112R183 G184 A190 L191R183-Q187 PolarHBondContact O-N 3.19Å; G184-Q187 PolarHBondContact O-N 3.14Å; Q187-A190 PolarHBondContact O-N 2.94Å; Q187-L191 PolarHBondContact O-N 2.93Å
188K78.7Confident71.4Confident147 Ų147117.9 Ų117.964%0.63962%0.618SS**Hα-helixtrans-59.6-47173.1-77-170.7175-169.60112.3G184 A190 L191 E192G184-K188 PolarHBondContact O-N 3.08Å; K188-A190 VanDerWaalsContact C-N 3.28Å; K188-A190 PolarHBondContact O-N 3.03Å; K188-L191 PolarHBondContact O-N 2.73Å; K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 3.33Å
189I78.2Confident71.9Confident97 Ų97119.4 Ų119.450%0.49763%0.625SS.*Hα-helixtrans-62.5-35.3177.8-65.5163.2000111.6K185 K186 A193K185-I189 HydrophobicContact CG-CD1 4.12Å; K185-I189 WeakPolarHBondContact O-CD1 3.49Å; K185-I189 VanDerWaalsContact O-CG1 3.22Å; K185-I189 WeakPolarHBondContact O-CG1 3.27Å; K185-I189 PolarHBondContact O-N 3.35Å; K185-I189 VanDerWaalsContact O-N 3.12Å; K186-I189 PolarHBondContact O-N 3.46Å; I189-A193 WeakPolarHBondContact O-CB 3.41Å; I189-A193 PolarHBondContact O-N 3.04Å
190A77.6Confident72.5Confident58 Ų58117 Ų11748%0.47962%0.621SS.*Hα-helixtrans-71.9-36.5177.600000112.9K186 Q187 K188 A193 S194K186-A190 WeakPolarHBondContact O-CB 3.36Å; K186-A190 PolarHBondContact O-N 3.09Å; Q187-A190 PolarHBondContact O-N 2.94Å; K188-A190 VanDerWaalsContact C-N 3.28Å; K188-A190 PolarHBondContact O-N 3.03Å; A190-A193 PolarHBondContact O-N 2.8Å; A190-S194 PolarHBondContact O-N 3.14Å; A190-S194 PolarHBondContact O-OG 3.39Å; A190-S194 VanDerWaalsContact O-OG 3.05Å
191L77.9Confident73Confident132 Ų132120.4 Ų120.469%0.69163%0.631SS**Hα-helixtrans-70.2-36.2174.8-84.3155.7000112.5Q187 K188 A193Q187-L191 PolarHBondContact O-N 2.93Å; K188-L191 PolarHBondContact O-N 2.73Å; L191-A193 VanDerWaalsContact C-N 3.25Å; L191-A193 PolarHBondContact O-N 2.88Å
192E78.3Confident73.4Confident159 Ų159118.8 Ų118.874%0.74363%0.632SS**Hα-helixtrans-73.2-16.3175.7-72.6170.4-178.100113.2K188K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 3.33Å
193A74.3Confident74.1Confident86 Ų86121.6 Ų121.671%0.71164%0.641SS**THydrogen-bonded Turntrans-100.4-1.7-179.800000114.1I189 A190 L191I189-A193 WeakPolarHBondContact O-CB 3.41Å; I189-A193 PolarHBondContact O-N 3.04Å; A190-A193 PolarHBondContact O-N 2.8Å; L191-A193 VanDerWaalsContact C-N 3.25Å; L191-A193 PolarHBondContact O-N 2.88Å
194S59.1Low74.5Confident159 Ų159117 Ų117100%1.11264%0.64SS**  trans-103.60173.8-54.60000109.9A190A190-S194 PolarHBondContact O-N 3.14Å; A190-S194 PolarHBondContact O-OG 3.39Å; A190-S194 VanDerWaalsContact O-OG 3.05Å

Retrieved 194 of 194 residues in 145.9 ms (Link to these results)

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