Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2cl4_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N SER 1.A OG no hydrogen 3.125 N/A LYS 3.A NZ GLU 244.A O no hydrogen 2.701 N/A LYS 3.A NZ PHE 247.A O no hydrogen 2.750 N/A LYS 3.A NZ ALA 250.A O no hydrogen 3.528 N/A SER 4.A N ALA 248.A O no hydrogen 3.013 N/A TYR 5.A OH GLU 244.A OE1 no hydrogen 2.622 N/A TYR 5.A OH GLU 244.A OE2 no hydrogen 3.331 N/A TYR 12.A N SER 9.A OG no hydrogen 3.080 N/A TYR 12.A OH ASP 95.A OD2 no hydrogen 2.559 N/A GLN 13.A N SER 9.A O no hydrogen 3.026 N/A GLN 13.A NE2 VAL 8.A O no hydrogen 2.965 N/A LYS 14.A N ALA 10.A O no hydrogen 2.877 N/A ALA 15.A N ASP 11.A O no hydrogen 3.074 N/A VAL 16.A N TYR 12.A O no hydrogen 2.961 N/A GLU 17.A N GLN 13.A O no hydrogen 3.117 N/A LYS 18.A N LYS 14.A O no hydrogen 2.982 N/A ALA 19.A N ALA 15.A O no hydrogen 2.797 N/A LYS 20.A N VAL 16.A O no hydrogen 2.858 N/A LYS 21.A N GLU 17.A O no hydrogen 3.334 N/A LYS 22.A N LYS 18.A O no hydrogen 3.031 N/A LEU 23.A N ALA 19.A O no hydrogen 2.784 N/A ARG 24.A N LYS 20.A O no hydrogen 3.067 N/A ARG 24.A NE GLU 106.A OE2 no hydrogen 2.683 N/A ARG 24.A NH2 GLU 106.A OE1 no hydrogen 3.179 N/A ARG 24.A NH2 GLU 106.A OE2 no hydrogen 3.264 N/A GLY 25.A N LYS 21.A O no hydrogen 3.283 N/A PHE 26.A N LYS 22.A O no hydrogen 2.981 N/A ILE 27.A N LEU 23.A O no hydrogen 2.875 N/A ALA 28.A N ARG 24.A O no hydrogen 2.940 N/A GLU 29.A N GLY 25.A O no hydrogen 2.933 N/A LYS 30.A N PHE 26.A O no hydrogen 2.891 N/A ARG 31.A N ALA 28.A O no hydrogen 3.295 N/A CYS 32.A N ILE 27.A O no hydrogen 3.342 N/A MET 36.A N CYS 32.A O no hydrogen 2.973 N/A LEU 37.A N ALA 33.A O no hydrogen 2.872 N/A ARG 38.A N PRO 34.A O no hydrogen 2.946 N/A ARG 38.A NH1 ASN 72.A O no hydrogen 2.904 N/A ARG 38.A NH2 ALA 70.A O no hydrogen 2.873 N/A ARG 38.A NH2 ASN 72.A O no hydrogen 2.894 N/A LEU 39.A N LEU 35.A O no hydrogen 2.927 N/A ALA 40.A N MET 36.A O no hydrogen 2.997 N/A TRP 41.A N LEU 37.A O no hydrogen 2.899 N/A HIS 42.A N ARG 38.A O no hydrogen 2.838 N/A HIS 42.A ND1 ASN 71.A OD1 no hydrogen 2.826 N/A SER 43.A N LEU 39.A O no hydrogen 3.008 N/A SER 43.A OG LEU 39.A O no hydrogen 2.855 N/A ALA 44.A N ALA 40.A O no hydrogen 3.083 N/A GLY 45.A N TRP 41.A O no hydrogen 2.777 N/A THR 46.A OG1 SER 43.A O no hydrogen 3.453 N/A PHE 47.A N ALA 44.A O no hydrogen 3.235 N/A ASP 48.A N THR 53.A O no hydrogen 2.883 N/A LYS 49.A N ALA 148.A O no hydrogen 2.726 N/A LYS 49.A NZ GLY 146.A O no hydrogen 2.705 N/A THR 51.A N ASP 48.A OD2 no hydrogen 3.059 N/A THR 51.A OG1 ASP 48.A OD2 no hydrogen 2.713 N/A THR 51.A OG1 THR 53.A OG1 no hydrogen 2.658 N/A THR 53.A N ASP 48.A O no hydrogen 3.386 N/A THR 53.A OG1 THR 51.A OG1 no hydrogen 2.658 N/A GLY 55.A N THR 46.A OG1 no hydrogen 2.892 N/A PHE 57.A N GLY 55.A O no hydrogen 2.829 N/A THR 59.A OG1 GLU 65.A OE1 no hydrogen 2.552 N/A HIS 62.A N THR 59.A O no hydrogen 2.922 N/A GLU 65.A N HIS 62.A O no hydrogen 2.972 N/A LEU 66.A N HIS 62.A O no hydrogen 3.004 N/A ALA 67.A N PRO 63.A O no hydrogen 3.074 N/A HIS 68.A N GLU 65.A O no hydrogen 3.065 N/A SER 69.A N GLU 128.A OE2 no hydrogen 3.015 N/A SER 69.A OG GLU 128.A OE2 no hydrogen 3.492 N/A ASN 71.A N HIS 68.A O no hydrogen 2.876 N/A ASN 71.A ND2 GLU 65.A O no hydrogen 2.830 N/A ASN 72.A N SER 69.A O no hydrogen 3.080 N/A LEU 74.A N ASN 71.A O no hydrogen 2.972 N/A ILE 76.A N ASP 75.A OD1 no hydrogen 2.860 N/A VAL 78.A N LEU 74.A O no hydrogen 3.112 N/A ARG 79.A N ASP 75.A O no hydrogen 3.034 N/A LEU 80.A N ILE 76.A O no hydrogen 2.847 N/A LEU 81.A N ALA 77.A O no hydrogen 3.149 N/A LEU 81.A N VAL 78.A O no hydrogen 3.256 N/A GLU 82.A N ARG 79.A O no hydrogen 3.231 N/A LYS 85.A N LEU 81.A O no hydrogen 2.879 N/A LYS 85.A NZ LYS 85.A O no hydrogen 3.471 N/A LYS 85.A NZ PHE 88.A O no hydrogen 2.959 N/A LYS 85.A NZ LEU 91.A O no hydrogen 2.916 N/A ALA 86.A N GLU 82.A O no hydrogen 3.022 N/A GLU 87.A N LEU 84.A O no hydrogen 2.890 N/A PHE 88.A N LYS 85.A O no hydrogen 2.837 N/A LEU 91.A N PHE 88.A O no hydrogen 3.114 N/A SER 92.A N TYR 12.A OH no hydrogen 3.154 N/A SER 92.A OG TYR 12.A OH no hydrogen 3.386 N/A SER 92.A OG ARG 119.A O no hydrogen 2.720 N/A TYR 93.A N ASP 121.A OD2 no hydrogen 2.847 N/A TYR 93.A OH GLU 82.A OE2 no hydrogen 2.438 N/A ALA 94.A N ASP 121.A OD1 no hydrogen 2.687 N/A ASP 95.A N SER 92.A OG no hydrogen 2.976 N/A PHE 96.A N SER 92.A O no hydrogen 2.967 N/A TYR 97.A N TYR 93.A O no hydrogen 2.858 N/A GLN 98.A N ALA 94.A O no hydrogen 3.287 N/A GLN 98.A NE2 ALA 40.A O no hydrogen 2.977 N/A LEU 99.A N ASP 95.A O no hydrogen 2.776 N/A ALA 100.A N PHE 96.A O no hydrogen 2.897 N/A GLY 101.A N TYR 97.A O no hydrogen 3.059 N/A VAL 102.A N GLN 98.A O no hydrogen 3.007 N/A VAL 103.A N LEU 99.A O no hydrogen 2.842 N/A ALA 104.A N ALA 100.A O no hydrogen 2.821 N/A VAL 105.A N GLY 101.A O no hydrogen 3.236 N/A GLU 106.A N VAL 102.A O no hydrogen 3.048 N/A VAL 107.A N VAL 103.A O no hydrogen 2.799 N/A THR 108.A OG1 ALA 104.A O no hydrogen 2.888 N/A THR 108.A OG1 VAL 105.A O no hydrogen 3.172 N/A GLY 109.A N GLU 106.A O no hydrogen 2.987 N/A GLY 110.A N VAL 105.A O no hydrogen 2.802 N/A HIS 116.A ND1 GLU 244.A OE2 no hydrogen 3.240 N/A GLY 118.A N ASP 95.A OD2 no hydrogen 2.779 N/A ARG 119.A N ASP 95.A OD1 no hydrogen 2.989 N/A ARG 119.A NE SER 243.A O no hydrogen 2.904 N/A ARG 119.A NH1 ASP 95.A OD1 no hydrogen 2.911 N/A ARG 119.A NH1 HIS 116.A O no hydrogen 2.802 N/A ARG 119.A NH2 SER 243.A O no hydrogen 2.922 N/A LYS 122.A N PHE 57.A O no hydrogen 2.960 N/A ARG 130.A NH1 THR 46.A O no hydrogen 2.855 N/A ARG 130.A NH1 THR 53.A O no hydrogen 3.249 N/A ARG 130.A NH1 THR 53.A OG1 no hydrogen 2.934 N/A ARG 130.A NH2 THR 53.A OG1 no hydrogen 3.037 N/A THR 135.A N ASP 133.A OD1 no hydrogen 2.884 N/A THR 135.A OG1 ASP 133.A OD1 no hydrogen 2.618 N/A LYS 136.A N ASP 133.A O no hydrogen 3.093 N/A LEU 141.A N GLY 137.A O no hydrogen 2.996 N/A ARG 142.A N SER 138.A O no hydrogen 2.998 N/A ARG 142.A NE ASP 153.A OD1 no hydrogen 3.140 N/A ARG 142.A NE ASP 153.A OD2 no hydrogen 3.118 N/A ARG 142.A NH1 ASP 214.A OD2 no hydrogen 2.899 N/A ARG 142.A NH2 ASP 153.A OD2 no hydrogen 2.988 N/A ARG 142.A NH2 ASP 214.A OD1 no hydrogen 2.825 N/A ARG 142.A NH2 ASP 214.A OD2 no hydrogen 3.409 N/A ASP 143.A N ASP 139.A O no hydrogen 3.019 N/A VAL 144.A N HIS 140.A O no hydrogen 3.024 N/A PHE 145.A N LEU 141.A O no hydrogen 2.827 N/A GLY 146.A N ARG 142.A O no hydrogen 2.847 N/A LYS 147.A N ARG 142.A O no hydrogen 2.849 N/A LYS 147.A NZ ASP 143.A OD1 no hydrogen 2.672 N/A ALA 148.A N ASP 143.A O no hydrogen 3.009 N/A MET 149.A N VAL 144.A O no hydrogen 2.987 N/A LEU 151.A N PHE 145.A O no hydrogen 2.771 N/A THR 152.A N ASP 155.A OD2 no hydrogen 2.972 N/A ASP 155.A N THR 152.A OG1 no hydrogen 3.065 N/A ILE 156.A N THR 152.A O no hydrogen 3.034 N/A VAL 157.A N ASP 153.A O no hydrogen 3.293 N/A ALA 158.A N GLN 154.A O no hydrogen 2.972 N/A LEU 159.A N ASP 155.A O no hydrogen 2.813 N/A SER 160.A N ILE 156.A O no hydrogen 3.039 N/A SER 160.A OG ILE 156.A O no hydrogen 2.823 N/A GLY 161.A N VAL 157.A O no hydrogen 3.370 N/A GLY 161.A N ALA 158.A O no hydrogen 2.989 N/A GLY 162.A N LEU 159.A O no hydrogen 2.867 N/A HIS 163.A N SER 160.A O no hydrogen 3.062 N/A HIS 163.A ND1 ASP 208.A OD1 no hydrogen 3.154 N/A THR 164.A N GLY 161.A O no hydrogen 2.892 N/A THR 164.A OG1 ASP 187.A O no hydrogen 2.562 N/A ILE 165.A N GLY 162.A O no hydrogen 3.163 N/A GLY 166.A N PRO 183.A O no hydrogen 2.795 N/A ALA 168.A N GLY 177.A O no hydrogen 2.948 N/A LYS 170.A N GLU 176.A OE2 no hydrogen 2.883 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.827 N/A ALA 172.A N HIS 169.A O no hydrogen 2.883 N/A GLY 174.A N HIS 169.A O no hydrogen 3.191 N/A PHE 175.A N SER 173.A OG no hydrogen 3.134 N/A GLY 177.A N ALA 168.A O no hydrogen 2.934 N/A TRP 179.A NE1 ASP 208.A OD2 no hydrogen 2.786 N/A THR 180.A OG1 THR 164.A O no hydrogen 3.172 N/A ILE 185.A N ASN 182.A O no hydrogen 3.034 N/A PHE 186.A N THR 108.A O no hydrogen 2.801 N/A ASN 188.A N GLU 228.A OE2 no hydrogen 2.976 N/A ASN 188.A ND2 TYR 224.A O no hydrogen 2.917 N/A SER 189.A N ASP 187.A OD1 no hydrogen 2.969 N/A SER 189.A OG ASP 187.A OD1 no hydrogen 2.947 N/A SER 189.A OG ASP 187.A OD2 no hydrogen 3.268 N/A TYR 190.A OH ASP 208.A OD1 no hydrogen 2.611 N/A PHE 191.A N ASN 188.A O no hydrogen 2.979 N/A THR 192.A N ASN 188.A O no hydrogen 3.384 N/A THR 192.A OG1 SER 189.A O no hydrogen 2.796 N/A GLU 193.A N SER 189.A O no hydrogen 2.833 N/A LEU 194.A N TYR 190.A O no hydrogen 2.989 N/A LEU 195.A N PHE 191.A O no hydrogen 3.000 N/A SER 196.A N THR 192.A O no hydrogen 3.088 N/A SER 196.A OG GLU 193.A O no hydrogen 3.069 N/A SER 196.A OG GLY 197.A O no hydrogen 3.445 N/A LEU 202.A N LYS 199.A O no hydrogen 3.091 N/A LEU 203.A N PRO 178.A O no hydrogen 2.770 N/A LEU 205.A N ASP 208.A OD2 no hydrogen 2.759 N/A SER 207.A N ALA 134.A O no hydrogen 2.960 N/A SER 207.A OG ALA 134.A O no hydrogen 3.495 N/A LYS 209.A N LEU 205.A O no hydrogen 3.033 N/A LYS 209.A NZ GLU 198.A OE2 no hydrogen 3.003 N/A ALA 210.A N PRO 206.A O no hydrogen 3.000 N/A LEU 211.A N ASP 208.A O no hydrogen 3.122 N/A LEU 212.A N LYS 209.A O no hydrogen 2.995 N/A SER 213.A N ALA 210.A O no hydrogen 3.355 N/A SER 213.A OG ALA 210.A O no hydrogen 3.416 N/A ASP 214.A N ALA 210.A O no hydrogen 3.295 N/A VAL 216.A N ASP 214.A OD1 no hydrogen 2.900 N/A PHE 217.A N ASP 214.A OD1 no hydrogen 2.945 N/A ARG 218.A N ASP 214.A O no hydrogen 2.920 N/A ARG 218.A NE ASP 222.A OD1 no hydrogen 2.987 N/A ARG 218.A NH1 LEU 212.A O no hydrogen 2.971 N/A VAL 221.A N PHE 217.A O no hydrogen 3.032 N/A ASP 222.A N ARG 218.A O no hydrogen 2.927 N/A LYS 223.A N PRO 219.A O no hydrogen 2.882 N/A LYS 223.A NZ ASP 234.A OD2 no hydrogen 2.785 N/A TYR 224.A N LEU 220.A O no hydrogen 2.934 N/A TYR 224.A OH ASP 234.A OD2 no hydrogen 2.670 N/A ALA 225.A N VAL 221.A O no hydrogen 2.903 N/A ALA 226.A N ASP 222.A O no hydrogen 3.017 N/A ALA 230.A N ASP 227.A OD2 no hydrogen 3.055 N/A PHE 231.A N ASP 227.A O no hydrogen 3.078 N/A PHE 232.A N GLU 228.A O no hydrogen 2.798 N/A ALA 233.A N ASP 229.A O no hydrogen 2.987 N/A ASP 234.A N ALA 230.A O no hydrogen 3.031 N/A TYR 235.A N PHE 231.A O no hydrogen 2.686 N/A TYR 235.A OH HIS 239.A ND1 no hydrogen 2.770 N/A ALA 236.A N PHE 232.A O no hydrogen 2.928 N/A GLU 237.A N ALA 233.A O no hydrogen 3.132 N/A ALA 238.A N ASP 234.A O no hydrogen 2.979 N/A HIS 239.A N TYR 235.A O no hydrogen 2.762 N/A HIS 239.A ND1 TYR 235.A OH no hydrogen 2.770 N/A GLN 240.A N ALA 236.A O no hydrogen 3.010 N/A GLN 240.A NE2 GLU 244.A OE2 no hydrogen 3.137 N/A LYS 241.A N GLU 237.A O no hydrogen 3.081 N/A LYS 241.A NZ ASP 155.A OD2 no hydrogen 2.655 N/A LEU 242.A N ALA 238.A O no hydrogen 2.832 N/A SER 243.A N HIS 239.A O no hydrogen 2.843 N/A SER 243.A OG HIS 239.A O no hydrogen 3.329 N/A SER 243.A OG GLN 240.A O no hydrogen 2.729 N/A GLU 244.A N LYS 241.A O no hydrogen 3.062 N/A LEU 245.A N LEU 242.A O no hydrogen 3.270 N/A PHE 247.A N GLU 244.A O no hydrogen 2.864 N/A