Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kat_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLU 14.A OE2 no hydrogen 2.825 N/A ILE 5.A N VAL 13.A O no hydrogen 2.786 N/A ILE 7.A N GLY 11.A O no hydrogen 3.119 N/A LYS 10.A N TYR 157.A OH no hydrogen 3.289 N/A LYS 10.A NZ ASP 9.A OD2 no hydrogen 2.842 N/A LYS 10.A NZ PHE 100.A O no hydrogen 2.915 N/A GLY 11.A N ILE 7.A O no hydrogen 2.917 N/A PHE 12.A N LYS 69.A O no hydrogen 3.163 N/A VAL 13.A N ILE 5.A O no hydrogen 2.801 N/A GLU 14.A N HIS 67.A O no hydrogen 2.917 N/A LEU 15.A N MET 3.A O no hydrogen 2.932 N/A VAL 16.A N THR 65.A O no hydrogen 2.756 N/A ASP 17.A N THR 65.A O no hydrogen 3.307 N/A VAL 18.A N ASP 17.A OD1 no hydrogen 2.989 N/A MET 19.A N VAL 63.A O no hydrogen 2.657 N/A ASN 21.A N SER 24.A OG no hydrogen 2.880 N/A LEU 23.A N ASN 21.A OD1 no hydrogen 3.032 N/A SER 24.A N ASN 21.A O no hydrogen 2.858 N/A SER 24.A OG ASN 21.A O no hydrogen 3.262 N/A ALA 25.A N ASP 22.A O no hydrogen 3.234 N/A VAL 26.A N ASP 22.A O no hydrogen 3.356 N/A ARG 27.A N LEU 23.A O no hydrogen 2.868 N/A ALA 28.A N SER 24.A O no hydrogen 3.124 N/A ALA 29.A N ALA 25.A O no hydrogen 2.907 N/A ARG 30.A N VAL 26.A O no hydrogen 2.898 N/A ARG 30.A NH1 GLY 36.A O no hydrogen 2.886 N/A ARG 30.A NH1 ASP 43.A OD1 no hydrogen 2.762 N/A ARG 30.A NH2 ASP 43.A OD1 no hydrogen 2.788 N/A VAL 31.A N ARG 27.A O no hydrogen 3.224 N/A SER 32.A N ALA 29.A O no hydrogen 3.151 N/A PHE 33.A N ARG 30.A O no hydrogen 2.810 N/A ASP 34.A N VAL 31.A O no hydrogen 2.785 N/A MET 35.A N ARG 30.A O no hydrogen 3.124 N/A LYS 38.A N ASP 43.A OD1 no hydrogen 3.269 N/A LYS 38.A N ASP 43.A OD2 no hydrogen 3.003 N/A ARG 42.A N ASP 39.A OD2 no hydrogen 2.982 N/A ASP 43.A N ASP 39.A O no hydrogen 2.824 N/A ARG 44.A N GLU 40.A O no hydrogen 2.881 N/A HIS 45.A N GLU 41.A O no hydrogen 2.877 N/A LEU 46.A N ARG 42.A O no hydrogen 2.916 N/A ILE 47.A N ASP 43.A O no hydrogen 3.074 N/A GLU 48.A N ARG 44.A O no hydrogen 3.242 N/A TYR 49.A N HIS 45.A O no hydrogen 2.887 N/A LEU 50.A N LEU 46.A O no hydrogen 2.792 N/A MET 51.A N ILE 47.A O no hydrogen 3.061 N/A LYS 52.A N GLU 48.A O no hydrogen 2.908 N/A HIS 53.A N TYR 49.A O no hydrogen 3.156 N/A GLY 54.A N MET 51.A O no hydrogen 3.371 N/A HIS 55.A N LEU 50.A O no hydrogen 2.863 N/A PHE 59.A N GLU 56.A O no hydrogen 3.128 N/A GLU 60.A N THR 57.A O no hydrogen 2.896 N/A ILE 62.A N PHE 59.A O no hydrogen 3.288 N/A VAL 63.A N MET 19.A O no hydrogen 3.005 N/A PHE 64.A N VAL 164.A O no hydrogen 2.833 N/A THR 65.A N ASP 17.A O no hydrogen 2.928 N/A THR 65.A OG1 THR 163.A OG1 no hydrogen 2.775 N/A PHE 66.A N TRP 162.A O no hydrogen 2.674 N/A HIS 67.A N GLU 14.A O no hydrogen 2.740 N/A HIS 67.A ND1 GLU 14.A OE1 no hydrogen 2.996 N/A VAL 68.A N PHE 160.A O no hydrogen 2.794 N/A LYS 69.A N PHE 12.A O no hydrogen 2.930 N/A LYS 69.A NZ GLU 99.A OE1 no hydrogen 2.967 N/A LYS 69.A NZ GLU 99.A OE2 no hydrogen 2.443 N/A ALA 70.A N THR 158.A O no hydrogen 2.852 N/A ILE 72.A N LEU 156.A O no hydrogen 2.894 N/A PHE 73.A N LEU 154.A O no hydrogen 3.109 N/A VAL 74.A N PRO 71.A O no hydrogen 3.099 N/A ALA 75.A N PRO 71.A O no hydrogen 2.946 N/A ARG 76.A N ILE 72.A O no hydrogen 2.851 N/A TRP 78.A N VAL 74.A O no hydrogen 2.935 N/A PHE 79.A N ALA 75.A O no hydrogen 2.753 N/A ARG 80.A N GLN 77.A O no hydrogen 3.418 N/A HIS 81.A N TRP 78.A O no hydrogen 3.177 N/A SER 85.A N THR 163.A O no hydrogen 2.909 N/A TYR 86.A OH TRP 78.A O no hydrogen 3.327 N/A TYR 86.A OH HIS 81.A O no hydrogen 2.548 N/A ASN 87.A N PHE 161.A O no hydrogen 3.216 N/A LEU 89.A N ARG 159.A O no hydrogen 2.810 N/A ARG 92.A N SER 90.A OG no hydrogen 3.033 N/A ARG 92.A NE GLU 146.A OE1 no hydrogen 2.808 N/A ARG 92.A NH2 GLU 146.A OE1 no hydrogen 2.895 N/A TYR 93.A N SER 90.A O no hydrogen 3.351 N/A SER 94.A N SER 90.A O no hydrogen 2.936 N/A SER 94.A OG SER 90.A O no hydrogen 2.791 N/A LEU 96.A N TYR 135.A OH no hydrogen 3.030 N/A TYR 98.A OH ASP 129.A OD1 no hydrogen 2.905 N/A GLU 99.A N SER 97.A O no hydrogen 2.859 N/A TYR 101.A N ASN 155.A O no hydrogen 2.837 N/A TYR 101.A OH GLU 184.A OE2 no hydrogen 2.496 N/A ILE 102.A N ASP 9.A OD2 no hydrogen 2.978 N/A SER 104.A OG GLU 106.A OE1 no hydrogen 3.341 N/A GLU 106.A N GLU 106.A OE1 no hydrogen 2.617 N/A ARG 107.A N SER 104.A O no hydrogen 2.942 N/A ARG 107.A NE GLU 184.A OE1 no hydrogen 3.448 N/A ARG 107.A NE GLU 184.A OE2 no hydrogen 2.671 N/A ARG 107.A NH1 ARG 107.A O no hydrogen 2.943 N/A ARG 107.A NH2 GLU 184.A OE1 no hydrogen 3.092 N/A LEU 108.A N PRO 105.A O no hydrogen 3.151 N/A GLU 109.A N GLU 106.A O no hydrogen 3.068 N/A TYR 111.A N LEU 108.A O no hydrogen 2.961 N/A THR 113.A OG1 ILE 115.A O no hydrogen 2.612 N/A GLU 118.A N GLU 118.A OE1 no hydrogen 2.692 N/A ARG 119.A N PRO 116.A O no hydrogen 2.730 N/A ARG 119.A NH1 GLU 122.A OE1 no hydrogen 2.917 N/A VAL 120.A N PRO 116.A O no hydrogen 3.308 N/A THR 121.A N PRO 117.A O no hydrogen 3.044 N/A THR 121.A OG1 PRO 103.A O no hydrogen 2.668 N/A GLU 122.A N GLU 118.A O no hydrogen 3.026 N/A LYS 123.A N ARG 119.A O no hydrogen 2.620 N/A ILE 124.A N VAL 120.A O no hydrogen 2.880 N/A SER 125.A N THR 121.A O no hydrogen 2.990 N/A SER 125.A OG THR 121.A O no hydrogen 3.413 N/A GLU 126.A N GLU 122.A O no hydrogen 2.976 N/A ILE 127.A N LYS 123.A O no hydrogen 3.162 N/A VAL 128.A N ILE 124.A O no hydrogen 3.103 N/A ASP 129.A N SER 125.A O no hydrogen 2.850 N/A LYS 130.A N GLU 126.A O no hydrogen 2.931 N/A ALA 131.A N ILE 127.A O no hydrogen 2.856 N/A TYR 132.A N VAL 128.A O no hydrogen 2.906 N/A TYR 132.A OH LEU 96.A O no hydrogen 2.600 N/A ARG 133.A N ASP 129.A O no hydrogen 2.972 N/A ARG 133.A NE.B ASP 129.A OD2 no hydrogen 2.818 N/A THR 134.A N LYS 130.A O no hydrogen 3.049 N/A THR 134.A OG1 LYS 130.A O no hydrogen 3.176 N/A TYR 135.A N ALA 131.A O no hydrogen 3.023 N/A LEU 136.A N TYR 132.A O no hydrogen 2.943 N/A GLU 137.A N ARG 133.A O no hydrogen 3.015 N/A LEU 138.A N THR 134.A O no hydrogen 2.828 N/A ILE 139.A N TYR 135.A O no hydrogen 2.851 N/A GLU 140.A N LEU 136.A O no hydrogen 2.812 N/A SER 141.A N GLU 137.A O no hydrogen 3.000 N/A SER 141.A N LEU 138.A O no hydrogen 3.069 N/A SER 141.A OG GLU 137.A O no hydrogen 2.672 N/A GLY 142.A N ILE 139.A O no hydrogen 3.016 N/A VAL 143.A N LEU 138.A O no hydrogen 3.123 N/A VAL 147.A N PRO 144.A O no hydrogen 3.055 N/A ALA 148.A N PRO 144.A O no hydrogen 2.860 N/A ARG 149.A N ARG 145.A O no hydrogen 2.928 N/A ARG 149.A NE GLU 146.A O no hydrogen 2.978 N/A ILE 150.A N VAL 147.A O no hydrogen 3.048 N/A LEU 152.A N ARG 149.A O no hydrogen 2.914 N/A ASN 155.A ND2 TYR 101.A O no hydrogen 2.813 N/A LEU 156.A N PRO 153.A O no hydrogen 3.023 N/A TYR 157.A N GLU 99.A O no hydrogen 2.882 N/A TYR 157.A OH ASP 9.A OD1 no hydrogen 2.680 N/A THR 158.A N ALA 70.A O no hydrogen 2.616 N/A THR 158.A OG1 GLU 88.A OE2 no hydrogen 2.617 N/A ARG 159.A NH1 HIS 67.A NE2 no hydrogen 2.875 N/A PHE 160.A N VAL 68.A O no hydrogen 2.931 N/A PHE 161.A N ASN 87.A O no hydrogen 2.756 N/A TRP 162.A N PHE 66.A O no hydrogen 2.782 N/A THR 163.A N SER 85.A O no hydrogen 3.030 N/A THR 163.A OG1 THR 65.A OG1 no hydrogen 2.775 N/A VAL 164.A N PHE 64.A O no hydrogen 2.943 N/A ALA 166.A N ILE 62.A O no hydrogen 2.849 N/A ARG 167.A NE GLU 56.A OE1 no hydrogen 3.156 N/A ARG 167.A NH1 GLU 60.A OE2 no hydrogen 2.723 N/A SER 168.A OG ILE 83.A O no hydrogen 2.646 N/A LEU 169.A N ASN 165.A O no hydrogen 2.929 N/A MET 170.A N ALA 166.A O no hydrogen 2.854 N/A ASN 171.A N ARG 167.A O no hydrogen 3.155 N/A PHE 172.A N SER 168.A O no hydrogen 2.899 N/A LEU 173.A N LEU 169.A O no hydrogen 2.924 N/A ASN 174.A N MET 170.A O no hydrogen 2.976 N/A LEU 175.A N ASN 171.A O no hydrogen 3.296 N/A LEU 175.A N PHE 172.A O no hydrogen 3.263 N/A LYS 176.A N PHE 172.A O no hydrogen 2.797 N/A LYS 176.A NZ GLN 77.A O no hydrogen 3.448 N/A LYS 176.A NZ HIS 81.A NE2 no hydrogen 2.252 N/A ALA 177.A N LEU 173.A O no hydrogen 2.841 N/A SER 179.A N ASP 215.A OD1 no hydrogen 2.842 N/A SER 179.A OG ASP 215.A OD1 no hydrogen 3.410 N/A SER 179.A OG ASP 215.A OD2 no hydrogen 2.685 N/A HIS 180.A N ASP 178.A OD2 no hydrogen 3.100 N/A ALA 181.A N ASP 178.A O no hydrogen 2.833 N/A GLN 182.A NE2 GLU 184.A OE1 no hydrogen 2.977 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.817 N/A GLN 186.A N GLN 182.A O no hydrogen 3.061 N/A GLN 186.A NE2 ALA 181.A O no hydrogen 2.416 N/A GLN 187.A N TRP 183.A O no hydrogen 3.085 N/A GLN 187.A NE2 TRP 183.A O no hydrogen 3.335 N/A TYR 188.A OH LYS 69.A O no hydrogen 2.617 N/A ALA 189.A N ILE 185.A O no hydrogen 2.840 N/A LEU 190.A N GLN 186.A O no hydrogen 2.969 N/A ALA 191.A N GLN 187.A O no hydrogen 3.261 N/A ILE 192.A N TYR 188.A O no hydrogen 2.798 N/A ALA 193.A N ALA 189.A O no hydrogen 2.787 N/A ARG 194.A N LEU 190.A O no hydrogen 2.940 N/A ILE 195.A N ALA 191.A O no hydrogen 3.174 N/A PHE 196.A N ILE 192.A O no hydrogen 2.951 N/A LYS 197.A N ALA 193.A O no hydrogen 2.663 N/A GLU 198.A N ARG 194.A O no hydrogen 3.142 N/A LYS 199.A N ILE 195.A O no hydrogen 3.019 N/A LYS 199.A NZ HIS 1.A ND1 no hydrogen 2.982 N/A CYS 200.A N PHE 196.A O no hydrogen 2.969 N/A TRP 202.A N ASP 22.A OD2 no hydrogen 2.997 N/A THR 203.A N ASP 22.A OD1 no hydrogen 2.743 N/A THR 203.A OG1 ASP 22.A OD1 no hydrogen 2.659 N/A PHE 204.A N CYS 200.A O no hydrogen 2.849 N/A GLU 205.A N PRO 201.A O no hydrogen 3.004 N/A ALA 206.A N TRP 202.A O no hydrogen 2.891 N/A PHE 207.A N THR 203.A O no hydrogen 2.769 N/A LEU 208.A N PHE 204.A O no hydrogen 2.924 N/A LYS 209.A N GLU 205.A O no hydrogen 3.029 N/A TYR 210.A N ALA 206.A O no hydrogen 2.818 N/A ALA 211.A N PHE 207.A O no hydrogen 2.884 N/A TYR 212.A N PHE 207.A O no hydrogen 2.754 N/A TYR 212.A OH ALA 177.A O no hydrogen 2.687 N/A LYS 213.A N ASN 174.A OD1 no hydrogen 2.814 N/A LEU 217.A N TYR 212.A OH no hydrogen 3.063 N/A