Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q4w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A N GLU 6.A OE2 no hydrogen 2.941 N/A ASN 2.A ND2 LYS 35.A O no hydrogen 2.820 N/A PHE 4.A N ASN 2.A OD1 no hydrogen 3.093 N/A HIS 5.A N ASN 2.A O no hydrogen 3.165 N/A HIS 5.A ND1 TYR 170.A OH no hydrogen 2.777 N/A GLU 6.A N ASN 2.A O no hydrogen 2.886 N/A LEU 7.A N PRO 3.A O no hydrogen 3.293 N/A GLU 12.A N.A VAL 16.A O no hydrogen 3.269 N/A GLU 12.A N.B VAL 16.A O no hydrogen 3.275 N/A GLU 15.A N.B GLU 12.A O.A no hydrogen 2.851 N/A GLU 15.A N.B GLU 12.A O.B no hydrogen 2.850 N/A VAL 16.A N GLU 12.A O.A no hydrogen 2.938 N/A VAL 16.A N GLU 12.A O.B no hydrogen 2.900 N/A VAL 17.A N ALA 88.A O no hydrogen 2.933 N/A TYR 18.A N PRO 9.A O no hydrogen 2.840 N/A ALA 19.A N ILE 86.A O no hydrogen 2.850 N/A LEU 20.A N.A ILE 58.A O no hydrogen 2.872 N/A LEU 20.A N.B ILE 58.A O no hydrogen 2.868 N/A ILE 21.A N THR 84.A O no hydrogen 2.998 N/A GLU 22.A N TYR 56.A O no hydrogen 2.771 N/A ILE 23.A N TYR 56.A O no hydrogen 2.899 N/A LYS 25.A N ASP 55.A OD2 no hydrogen 2.913 N/A LYS 25.A NZ MET 76.A O no hydrogen 2.900 N/A LYS 25.A NZ ARG 77.A O no hydrogen 2.960 N/A GLY 26.A N TYR 52.A O no hydrogen 2.920 N/A SER 27.A N.A PRO 24.A O no hydrogen 3.151 N/A SER 27.A N.B PRO 24.A O no hydrogen 3.168 N/A SER 27.A OG.A PRO 24.A O no hydrogen 2.764 N/A SER 27.A OG.B ASN 29.A O no hydrogen 2.948 N/A ARG 28.A NE LEU 46.A O no hydrogen 2.898 N/A ARG 28.A NH2 LEU 46.A O no hydrogen 3.007 N/A ASN 29.A ND2 TYR 31.A OH no hydrogen 3.100 N/A LYS 30.A N ARG 44.A O no hydrogen 2.839 N/A LYS 30.A NZ GLU 32.A OE2.B no hydrogen 2.774 N/A GLU 32.A N.A LYS 41.A O no hydrogen 2.831 N/A GLU 32.A N.B LYS 41.A O no hydrogen 2.822 N/A LEU 33.A N GLU 22.A OE2 no hydrogen 2.836 N/A ASP 34.A N.A LEU 39.A O no hydrogen 2.808 N/A ASP 34.A N.B LEU 39.A O no hydrogen 2.811 N/A LYS 35.A NZ.A ASP 68.A OD1 no hydrogen 2.756 N/A LYS 35.A NZ.B ASP 68.A OD1 no hydrogen 2.958 N/A THR 37.A N.A ASP 34.A OD2.B no hydrogen 3.360 N/A THR 37.A N.B ASP 34.A OD2.B no hydrogen 3.368 N/A THR 37.A OG1.A ASP 34.A OD2.A no hydrogen 2.798 N/A THR 37.A OG1.A ASP 34.A OD2.B no hydrogen 3.047 N/A THR 37.A OG1.B ASP 34.A OD2.A no hydrogen 2.790 N/A THR 37.A OG1.B ASP 34.A OD2.B no hydrogen 3.040 N/A GLY 38.A N ASP 34.A O.A no hydrogen 2.828 N/A GLY 38.A N ASP 34.A O.B no hydrogen 2.813 N/A LEU 39.A N THR 37.A OG1.A no hydrogen 3.074 N/A LEU 39.A N THR 37.A OG1.B no hydrogen 3.165 N/A LYS 41.A N GLU 32.A O.A no hydrogen 2.871 N/A LYS 41.A N GLU 32.A O.B no hydrogen 2.846 N/A ASP 43.A N LYS 30.A O no hydrogen 2.838 N/A ARG 44.A NE GLN 144.A OE1 no hydrogen 2.920 N/A ARG 44.A NH2 ASP 43.A OD1 no hydrogen 2.924 N/A LEU 46.A N ARG 28.A O no hydrogen 3.129 N/A PHE 50.A N SER 48.A O no hydrogen 2.781 N/A TYR 52.A N SER 27.A O.A no hydrogen 2.933 N/A TYR 52.A N SER 27.A O.B no hydrogen 3.014 N/A ASP 55.A N VAL 74.A O no hydrogen 2.981 N/A TYR 56.A N ILE 23.A O no hydrogen 2.848 N/A GLY 57.A N ILE 72.A O no hydrogen 2.911 N/A ILE 58.A N LEU 20.A O.A no hydrogen 2.967 N/A ILE 58.A N LEU 20.A O.B no hydrogen 3.018 N/A ILE 59.A N PHE 70.A O no hydrogen 3.127 N/A GLN 61.A N PHE 4.A O no hydrogen 2.959 N/A GLN 61.A NE2 HIS 5.A O no hydrogen 2.799 N/A THR 62.A OG1 ILE 59.A O no hydrogen 2.669 N/A TRP 63.A N ALA 166.A O no hydrogen 3.056 N/A TYR 64.A OH GLU 162.A OE1.B no hydrogen 2.637 N/A GLY 67.A N TYR 64.A O no hydrogen 2.933 N/A PHE 70.A N THR 62.A OG1 no hydrogen 2.915 N/A ILE 72.A N GLY 57.A O no hydrogen 2.969 N/A MET 73.A N VAL 106.A O no hydrogen 2.748 N/A VAL 74.A N ASP 55.A O no hydrogen 2.778 N/A ILE 75.A N ALA 108.A O no hydrogen 2.940 N/A ARG 77.A NE ASP 113.A OD2 no hydrogen 2.959 N/A ARG 77.A NH2 ASP 113.A OD1 no hydrogen 2.875 N/A ARG 77.A NH2 ASP 113.A OD2 no hydrogen 3.414 N/A VAL 80.A N ASP 55.A OD1 no hydrogen 2.871 N/A LEU 83.A N ILE 21.A O no hydrogen 2.689 N/A THR 84.A N TYR 81.A O no hydrogen 3.236 N/A THR 84.A OG1 TYR 81.A O no hydrogen 2.667 N/A ILE 86.A N ALA 19.A O no hydrogen 2.874 N/A ALA 88.A N VAL 17.A O no hydrogen 2.821 N/A ARG 89.A N VAL 109.A O no hydrogen 2.797 N/A ARG 89.A NE TRP 119.A O no hydrogen 2.938 N/A ARG 89.A NH2 TRP 119.A O no hydrogen 3.146 N/A ILE 91.A N LEU 107.A O no hydrogen 2.800 N/A GLY 92.A N LEU 107.A O no hydrogen 3.313 N/A ILE 93.A N GLY 154.A O no hydrogen 2.986 N/A MET 94.A N LYS 105.A O no hydrogen 2.859 N/A LYS 95.A N GLY 152.A O no hydrogen 2.852 N/A LYS 95.A NZ GLU 158.A OE1 no hydrogen 2.927 N/A LYS 95.A NZ GLU 158.A OE2 no hydrogen 3.159 N/A GLU 97.A N.A LYS 149.A O no hydrogen 2.841 N/A GLU 97.A N.B LYS 149.A O no hydrogen 2.849 N/A GLU 97.A N.C LYS 149.A O no hydrogen 2.851 N/A ASP 98.A N ASP 101.A O no hydrogen 2.807 N/A SER 99.A N THR 147.A O no hydrogen 2.777 N/A SER 99.A OG ASP 98.A OD1 no hydrogen 2.916 N/A ASP 101.A N ASP 98.A O no hydrogen 2.960 N/A LYS 102.A NZ GLU 162.A OE1.A no hydrogen 3.059 N/A LYS 102.A NZ GLU 162.A OE1.B no hydrogen 2.841 N/A ASP 103.A N MET 96.A O no hydrogen 2.866 N/A LYS 105.A N MET 94.A O no hydrogen 2.997 N/A LYS 105.A NZ TYR 56.A OH no hydrogen 3.485 N/A LYS 105.A NZ ASP 71.A OD1 no hydrogen 2.722 N/A LYS 105.A NZ ASP 103.A O no hydrogen 2.979 N/A VAL 106.A N ASP 71.A O no hydrogen 3.045 N/A LEU 107.A N GLY 92.A O no hydrogen 2.850 N/A ALA 108.A N MET 73.A O no hydrogen 2.848 N/A VAL 109.A N ARG 89.A O no hydrogen 3.013 N/A VAL 111.A N.A GLU 87.A O no hydrogen 2.956 N/A VAL 111.A N.B GLU 87.A O no hydrogen 2.974 N/A ASP 113.A N PRO 110.A O no hydrogen 3.489 N/A TYR 115.A N ASP 113.A OD1 no hydrogen 3.052 N/A PHE 116.A N ASP 113.A O no hydrogen 3.040 N/A ASN 117.A N PRO 114.A O.A no hydrogen 3.066 N/A ASN 117.A N PRO 114.A O.B no hydrogen 3.118 N/A TRP 119.A N PHE 116.A O no hydrogen 2.860 N/A LYS 120.A N ASP 124.A OD2 no hydrogen 2.858 N/A ASP 121.A N ASP 124.A OD2 no hydrogen 2.989 N/A ILE 122.A N ASP 121.A OD2 no hydrogen 2.808 N/A ASP 124.A N ASP 121.A O no hydrogen 2.936 N/A VAL 125.A N ILE 122.A O no hydrogen 3.278 N/A LYS 127.A NZ.A ASP 131.A OD2 no hydrogen 2.857 N/A PHE 129.A N PRO 126.A O no hydrogen 2.927 N/A LEU 130.A N PRO 126.A O no hydrogen 3.194 N/A ASP 131.A N LYS 127.A O no hydrogen 2.954 N/A GLU 132.A N ALA 128.A O no hydrogen 2.926 N/A ILE 133.A N PHE 129.A O no hydrogen 3.054 N/A ALA 134.A N LEU 130.A O no hydrogen 2.964 N/A HIS 135.A N ASP 131.A O no hydrogen 2.854 N/A PHE 136.A N GLU 132.A O no hydrogen 3.029 N/A PHE 137.A N ILE 133.A O no hydrogen 3.163 N/A GLN 138.A N ALA 134.A O no hydrogen 2.814 N/A ARG 139.A N HIS 135.A O no hydrogen 3.008 N/A ARG 139.A N PHE 136.A O no hydrogen 3.307 N/A TYR 140.A N PHE 136.A O no hydrogen 2.835 N/A LYS 141.A NZ.A ASP 98.A OD1 no hydrogen 3.035 N/A LYS 141.A NZ.A ASP 98.A OD2 no hydrogen 2.977 N/A LYS 141.A NZ.B ASP 98.A OD1 no hydrogen 2.863 N/A LYS 141.A NZ.B ASP 98.A OD2 no hydrogen 2.920 N/A GLU 142.A N ARG 139.A O no hydrogen 3.046 N/A GLN 144.A N LYS 141.A O.A no hydrogen 2.820 N/A GLN 144.A N LYS 141.A O.B no hydrogen 3.144 N/A GLY 145.A N GLU 142.A O no hydrogen 3.130 N/A LYS 146.A N LYS 141.A O.B no hydrogen 3.365 N/A THR 148.A OG1 PHE 137.A O no hydrogen 2.922 N/A LYS 149.A N GLU 97.A O.A no hydrogen 2.834 N/A LYS 149.A N GLU 97.A O.B no hydrogen 2.831 N/A LYS 149.A N GLU 97.A O.C no hydrogen 2.852 N/A GLU 151.A N LYS 95.A O no hydrogen 2.796 N/A GLY 154.A N ILE 93.A O no hydrogen 2.781 N/A ALA 156.A N ASP 121.A OD2 no hydrogen 2.782 N/A GLU 158.A N ASN 155.A OD1 no hydrogen 2.990 N/A ALA 159.A N ASN 155.A O no hydrogen 2.963 N/A LYS 160.A N ALA 156.A O no hydrogen 2.938 N/A LYS 160.A NZ GLU 15.A OE1.B no hydrogen 3.142 N/A LYS 160.A NZ GLU 15.A OE2.B no hydrogen 2.895 N/A ARG 161.A N GLU 157.A O no hydrogen 3.001 N/A GLU 162.A N.A GLU 158.A O no hydrogen 3.064 N/A GLU 162.A N.B GLU 158.A O no hydrogen 3.082 N/A ILE 163.A N ALA 159.A O no hydrogen 2.956 N/A LEU 164.A N LYS 160.A O no hydrogen 3.073 N/A ARG 165.A N ARG 161.A O no hydrogen 3.062 N/A ARG 165.A NH1 ASP 65.A OD1 no hydrogen 2.939 N/A ARG 165.A NH1 GLU 162.A OE1.B no hydrogen 3.043 N/A ARG 165.A NH2 ASP 65.A OD1 no hydrogen 3.086 N/A ARG 165.A NH2 ASP 65.A OD2 no hydrogen 3.160 N/A ALA 166.A N GLU 162.A O.A no hydrogen 2.889 N/A ALA 166.A N GLU 162.A O.B no hydrogen 2.934 N/A ILE 167.A N ILE 163.A O no hydrogen 3.010 N/A GLU 168.A N LEU 164.A O no hydrogen 3.200 N/A MET 169.A N ARG 165.A O no hydrogen 2.936 N/A TYR 170.A N ALA 166.A O no hydrogen 3.104 N/A TYR 170.A OH HIS 5.A ND1 no hydrogen 2.777 N/A LYS 171.A N ILE 167.A O no hydrogen 3.325 N/A LYS 171.A NZ GLU 168.A OE2.A no hydrogen 3.004 N/A GLU 172.A N GLU 168.A O no hydrogen 3.128 N/A LYS 173.A N MET 169.A O no hydrogen 3.035 N/A PHE 174.A N TYR 170.A O no hydrogen 2.870 N/A