Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1vr2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 9.A OE1 no hydrogen 2.834 N/A SER 6.A N ASP 4.A OD1 no hydrogen 3.133 N/A LYS 7.A N ASP 4.A OD1 no hydrogen 3.409 N/A TRP 8.A N ASP 4.A O no hydrogen 3.099 N/A GLU 9.A N ALA 5.A O no hydrogen 3.059 N/A PHE 10.A N ALA 85.A O no hydrogen 2.772 N/A ARG 12.A NH1 CYS 86.A O no hydrogen 3.450 N/A ARG 14.A N PRO 11.A O no hydrogen 2.694 N/A LEU 15.A N ARG 12.A O no hydrogen 3.278 N/A LYS 16.A N ASP 33.A O no hydrogen 2.826 N/A GLY 18.A N GLU 31.A O no hydrogen 2.706 N/A LEU 21.A N VAL 29.A O no hydrogen 2.659 N/A GLY 22.A N VAL 29.A O no hydrogen 3.060 N/A VAL 29.A N GLY 22.A O no hydrogen 3.071 N/A ILE 30.A N VAL 48.A O no hydrogen 3.242 N/A GLU 31.A N LYS 19.A O no hydrogen 2.739 N/A ALA 32.A N VAL 46.A O no hydrogen 3.024 N/A ASP 33.A N LYS 16.A O no hydrogen 2.986 N/A ALA 34.A N ARG 44.A O no hydrogen 2.853 N/A PHE 35.A N ARG 14.A O no hydrogen 2.969 N/A GLY 36.A N THR 42.A O no hydrogen 2.804 N/A LYS 39.A N GLY 36.A O no hydrogen 3.370 N/A THR 40.A N ASP 38.A OD1 no hydrogen 3.371 N/A THR 40.A OG1 ASP 38.A OD1 no hydrogen 2.636 N/A THR 40.A OG1 THR 42.A OG1 no hydrogen 2.928 N/A THR 42.A N THR 40.A O no hydrogen 2.906 N/A THR 42.A OG1 THR 40.A OG1 no hydrogen 2.928 N/A ARG 44.A N ALA 34.A O no hydrogen 2.831 N/A VAL 46.A N ALA 32.A O no hydrogen 2.649 N/A ALA 47.A N VAL 97.A O no hydrogen 3.157 N/A VAL 48.A N ILE 30.A O no hydrogen 3.092 N/A LYS 49.A N VAL 95.A O no hydrogen 2.723 N/A LYS 49.A NZ GLU 66.A OE2 no hydrogen 2.990 N/A MET 50.A N GLN 28.A O no hydrogen 3.292 N/A LYS 52.A NZ GLY 24.A O no hydrogen 2.459 N/A LYS 52.A NZ GLY 27.A O no hydrogen 2.648 N/A ALA 55.A N LYS 52.A O no hydrogen 3.133 N/A THR 56.A N GLU 59.A OE2 no hydrogen 2.850 N/A GLU 59.A N THR 56.A O no hydrogen 2.641 N/A HIS 60.A N THR 56.A O no hydrogen 2.767 N/A ARG 61.A N HIS 57.A O no hydrogen 2.688 N/A ALA 62.A N SER 58.A O no hydrogen 2.836 N/A LEU 63.A N GLU 59.A O no hydrogen 3.080 N/A MET 64.A N HIS 60.A O no hydrogen 3.223 N/A SER 65.A N ARG 61.A O no hydrogen 2.784 N/A GLU 66.A N ALA 62.A O no hydrogen 2.886 N/A LEU 67.A N LEU 63.A O no hydrogen 2.989 N/A LYS 68.A N MET 64.A O no hydrogen 3.217 N/A LYS 68.A NZ LEU 1.A O no hydrogen 2.748 N/A ILE 69.A N SER 65.A O no hydrogen 3.115 N/A LEU 70.A N GLU 66.A O no hydrogen 3.084 N/A ILE 71.A N LEU 67.A O no hydrogen 3.039 N/A HIS 72.A N LYS 68.A O no hydrogen 2.730 N/A ILE 73.A N ILE 69.A O no hydrogen 2.644 N/A GLY 74.A N LEU 70.A O no hydrogen 3.138 N/A HIS 76.A N ASN 81.A OD1 no hydrogen 3.051 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.792 N/A ASN 78.A ND2 VAL 165.A O no hydrogen 3.145 N/A VAL 79.A N HIS 76.A O no hydrogen 3.413 N/A VAL 80.A N ILE 167.A O no hydrogen 2.945 N/A ASN 81.A N GLU 98.A OE2 no hydrogen 2.759 N/A ASN 81.A ND2 HIS 76.A O no hydrogen 2.917 N/A ASN 81.A ND2 GLU 98.A OE2 no hydrogen 2.626 N/A LEU 83.A N ILE 96.A O no hydrogen 2.908 N/A GLY 84.A N ILE 96.A O no hydrogen 3.438 N/A ALA 85.A N TRP 8.A O no hydrogen 2.814 N/A CYS 86.A N MET 94.A O no hydrogen 2.918 N/A CYS 86.A SG PHE 10.A O no hydrogen 3.184 N/A THR 87.A N GLU 9.A OE2 no hydrogen 2.898 N/A THR 87.A OG1 GLU 9.A OE1 no hydrogen 2.677 N/A LYS 88.A N GLU 9.A OE2 no hydrogen 3.095 N/A MET 94.A N CYS 86.A O no hydrogen 3.062 N/A VAL 95.A N LYS 49.A O no hydrogen 2.697 N/A ILE 96.A N GLY 84.A O no hydrogen 3.017 N/A VAL 97.A N ALA 47.A O no hydrogen 2.750 N/A GLU 98.A N ASN 81.A O no hydrogen 2.952 N/A PHE 102.A N LEU 159.A O no hydrogen 2.850 N/A ASN 104.A ND2 THR 107.A OG1 no hydrogen 3.197 N/A LEU 105.A N ALA 154.A O no hydrogen 2.899 N/A LEU 105.A N ILE 157.A O no hydrogen 2.624 N/A SER 106.A N ALA 154.A O no hydrogen 3.448 N/A SER 106.A OG GLY 209.A O no hydrogen 3.457 N/A THR 107.A N ASN 104.A OD1 no hydrogen 2.921 N/A THR 107.A OG1 ASN 104.A OD1 no hydrogen 3.051 N/A TYR 108.A N ASN 104.A O no hydrogen 3.319 N/A LEU 109.A N LEU 105.A O no hydrogen 2.796 N/A ARG 110.A N SER 106.A O no hydrogen 3.010 N/A ARG 110.A NH2 SER 106.A OG no hydrogen 3.061 N/A SER 111.A N THR 107.A O no hydrogen 3.342 N/A SER 111.A OG TYR 108.A O no hydrogen 2.544 N/A LYS 112.A N LEU 109.A O no hydrogen 2.836 N/A LYS 112.A NZ GLU 115.A OE2 no hydrogen 3.356 N/A LYS 112.A NZ ASP 121.A O no hydrogen 3.385 N/A ARG 113.A N ARG 110.A O no hydrogen 3.277 N/A ARG 113.A NE LEU 208.A O no hydrogen 3.089 N/A ARG 113.A NH1 SER 207.A O no hydrogen 3.227 N/A VAL 117.A N LEU 123.A O no hydrogen 3.120 N/A LEU 123.A N GLU 115.A O no hydrogen 2.849 N/A THR 124.A OG1 HIS 127.A ND1 no hydrogen 3.000 N/A LEU 125.A N PRO 118.A O no hydrogen 2.795 N/A GLU 126.A N THR 124.A OG1 no hydrogen 3.198 N/A HIS 127.A N THR 124.A O no hydrogen 2.909 N/A HIS 127.A ND1 THR 124.A OG1 no hydrogen 3.000 N/A LEU 128.A N THR 124.A O no hydrogen 3.370 N/A ILE 129.A N LEU 125.A O no hydrogen 2.870 N/A CYS 130.A N GLU 126.A O no hydrogen 2.778 N/A TYR 131.A N HIS 127.A O no hydrogen 2.786 N/A SER 132.A N LEU 128.A O no hydrogen 3.162 N/A SER 132.A OG LEU 128.A O no hydrogen 2.906 N/A PHE 133.A N ILE 129.A O no hydrogen 2.829 N/A GLN 134.A N CYS 130.A O no hydrogen 2.962 N/A GLN 134.A NE2 CYS 130.A O no hydrogen 3.404 N/A GLN 134.A NE2 ASN 163.A O no hydrogen 2.976 N/A VAL 135.A N TYR 131.A O no hydrogen 2.930 N/A ALA 136.A N SER 132.A O no hydrogen 3.017 N/A LYS 137.A N PHE 133.A O no hydrogen 2.927 N/A GLY 138.A N GLN 134.A O no hydrogen 2.869 N/A MET 139.A N VAL 135.A O no hydrogen 2.892 N/A GLU 140.A N ALA 136.A O no hydrogen 2.844 N/A PHE 141.A N LYS 137.A O no hydrogen 2.981 N/A LEU 142.A N GLY 138.A O no hydrogen 3.130 N/A ALA 143.A N MET 139.A O no hydrogen 2.938 N/A SER 144.A N GLU 140.A O no hydrogen 2.916 N/A SER 144.A OG PHE 141.A O no hydrogen 2.543 N/A ARG 145.A N PHE 141.A O no hydrogen 3.019 N/A ARG 145.A NH2 ILE 73.A O no hydrogen 2.974 N/A LYS 146.A N ALA 143.A O no hydrogen 2.862 N/A CYS 147.A N LEU 142.A O no hydrogen 2.711 N/A HIS 149.A N ASP 194.A OD1 no hydrogen 2.965 N/A HIS 149.A NE2 CYS 168.A O no hydrogen 2.663 N/A ARG 150.A N ASP 194.A OD2 no hydrogen 3.056 N/A ALA 154.A N GLU 204.A OE2 no hydrogen 3.137 N/A ARG 155.A NH1 ASP 151.A OD1 no hydrogen 2.806 N/A ASN 156.A N ALA 153.A O no hydrogen 3.078 N/A ASN 156.A ND2 ASP 151.A O no hydrogen 2.646 N/A ASN 156.A ND2 ASP 151.A OD1 no hydrogen 3.160 N/A ILE 157.A N ALA 154.A O no hydrogen 3.108 N/A LEU 158.A N LYS 166.A O no hydrogen 2.846 N/A LEU 159.A N GLY 103.A O no hydrogen 2.875 N/A SER 160.A N VAL 164.A O no hydrogen 2.852 N/A SER 160.A OG VAL 164.A O no hydrogen 3.261 N/A VAL 165.A N GLN 134.A OE1 no hydrogen 2.970 N/A LYS 166.A N LEU 158.A O no hydrogen 2.848 N/A LYS 166.A NZ LEU 77.A O no hydrogen 2.691 N/A LYS 166.A NZ VAL 79.A O no hydrogen 3.160 N/A LYS 166.A NZ GLU 98.A OE1 no hydrogen 3.489 N/A LYS 166.A NZ GLU 98.A OE2 no hydrogen 2.896 N/A ILE 167.A N ASN 78.A O no hydrogen 2.979 N/A CYS 168.A N ASN 156.A O no hydrogen 3.266 N/A CYS 168.A SG ASN 156.A O no hydrogen 3.547 N/A LYS 177.A N LEU 174.A O no hydrogen 2.983 N/A LYS 177.A NZ PRO 212.A O no hydrogen 2.926 N/A TRP 178.A N PRO 175.A O no hydrogen 3.372 N/A TRP 178.A NE1 GLU 204.A OE2 no hydrogen 2.734 N/A MET 179.A N LEU 176.A O no hydrogen 3.082 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.846 N/A THR 183.A OG1 VAL 188.A O no hydrogen 2.698 N/A ILE 184.A N ALA 180.A O no hydrogen 3.003 N/A PHE 185.A N PRO 181.A O no hydrogen 2.870 N/A THR 190.A N SER 193.A OG no hydrogen 2.987 N/A GLN 192.A NE2 PRO 254.A O no hydrogen 3.062 N/A GLN 192.A NE2 PRO 258.A O no hydrogen 3.020 N/A SER 193.A N THR 190.A O no hydrogen 3.061 N/A SER 193.A N THR 190.A OG1 no hydrogen 3.234 N/A SER 193.A OG THR 183.A OG1 no hydrogen 3.388 N/A SER 193.A OG THR 190.A O no hydrogen 2.954 N/A ASP 194.A N THR 190.A O no hydrogen 3.180 N/A ASP 194.A N ILE 191.A O no hydrogen 2.930 N/A VAL 195.A N ILE 191.A O no hydrogen 3.002 N/A SER 197.A N SER 193.A O no hydrogen 3.089 N/A SER 197.A OG TRP 178.A O no hydrogen 2.718 N/A SER 197.A OG SER 193.A O no hydrogen 3.210 N/A PHE 198.A N ASP 194.A O no hydrogen 2.596 N/A GLY 199.A N VAL 195.A O no hydrogen 2.898 N/A VAL 200.A N TRP 196.A O no hydrogen 3.149 N/A LEU 201.A N SER 197.A O no hydrogen 3.006 N/A LEU 202.A N PHE 198.A O no hydrogen 2.872 N/A TRP 203.A N GLY 199.A O no hydrogen 3.162 N/A TRP 203.A NE1 ARG 233.A O no hydrogen 2.909 N/A GLU 204.A N VAL 200.A O no hydrogen 2.881 N/A ILE 205.A N LEU 201.A O no hydrogen 2.845 N/A PHE 206.A N LEU 202.A O no hydrogen 3.054 N/A SER 207.A N GLU 204.A O no hydrogen 3.428 N/A SER 207.A OG TRP 203.A O no hydrogen 3.124 N/A SER 207.A OG GLU 204.A O no hydrogen 3.161 N/A LEU 208.A N ILE 205.A O no hydrogen 3.351 N/A GLY 209.A N GLU 204.A O no hydrogen 2.944 N/A ALA 210.A N SER 207.A OG no hydrogen 3.137 N/A VAL 216.A N TYR 213.A O no hydrogen 3.021 N/A PHE 222.A N ASP 219.A O no hydrogen 2.873 N/A CYS 223.A N ASP 219.A O no hydrogen 3.273 N/A CYS 223.A SG ASP 219.A O no hydrogen 3.567 N/A ARG 224.A N GLU 221.A O no hydrogen 3.087 N/A ARG 224.A NE GLU 228.A OE2 no hydrogen 3.471 N/A ARG 225.A N GLU 221.A O no hydrogen 2.932 N/A LEU 226.A N PHE 222.A O no hydrogen 2.941 N/A LYS 227.A N CYS 223.A O no hydrogen 3.232 N/A GLU 228.A N ARG 225.A O no hydrogen 2.623 N/A GLY 229.A N ARG 225.A O no hydrogen 2.861 N/A THR 230.A N ARG 225.A O no hydrogen 3.097 N/A ARG 231.A NE TRP 250.A O no hydrogen 3.078 N/A ARG 231.A NH1 LEU 226.A O no hydrogen 2.814 N/A ARG 231.A NH1 THR 230.A O no hydrogen 2.739 N/A ARG 231.A NH2 TRP 250.A O no hydrogen 2.981 N/A ARG 233.A NH2 ASP 236.A OD1 no hydrogen 2.954 N/A TYR 237.A N PHE 206.A O no hydrogen 2.828 N/A THR 238.A N PRO 235.A O no hydrogen 3.245 N/A THR 238.A OG1 PRO 235.A O no hydrogen 2.897 N/A MET 242.A N THR 239.A O no hydrogen 2.991 N/A TYR 243.A N THR 239.A O no hydrogen 2.900 N/A TYR 243.A OH MET 232.A O no hydrogen 2.659 N/A GLN 244.A N PRO 240.A O no hydrogen 2.885 N/A GLN 244.A NE2 GLN 244.A O no hydrogen 3.163 N/A GLN 244.A NE2 ASP 248.A OD1 no hydrogen 3.069 N/A THR 245.A N GLU 241.A O no hydrogen 3.015 N/A THR 245.A OG1 GLU 241.A O no hydrogen 2.773 N/A MET 246.A N MET 242.A O no hydrogen 3.011 N/A LEU 247.A N TYR 243.A O no hydrogen 2.988 N/A ASP 248.A N GLN 244.A O no hydrogen 3.043 N/A CYS 249.A N THR 245.A O no hydrogen 3.034 N/A CYS 249.A SG THR 245.A O no hydrogen 3.481 N/A TRP 250.A N MET 246.A O no hydrogen 2.931 N/A HIS 251.A N ASP 248.A O no hydrogen 3.211 N/A GLN 256.A N GLU 253.A O no hydrogen 2.689 N/A ARG 257.A N GLU 253.A O no hydrogen 3.243 N/A ARG 257.A N PRO 254.A O no hydrogen 3.327 N/A ARG 257.A NE HIS 251.A O no hydrogen 2.501 N/A ARG 257.A NH1 GLU 182.A OE2 no hydrogen 3.145 N/A ARG 257.A NH1 GLN 192.A O no hydrogen 2.974 N/A ARG 257.A NH2 GLU 182.A OE1 no hydrogen 3.250 N/A ARG 257.A NH2 HIS 251.A O no hydrogen 2.828 N/A THR 259.A N GLU 262.A OE2 no hydrogen 2.984 N/A SER 261.A OG GLU 140.A OE2 no hydrogen 2.995 N/A GLU 262.A N THR 259.A OG1 no hydrogen 3.083 N/A LEU 263.A N THR 259.A O no hydrogen 2.906 N/A VAL 264.A N PHE 260.A O no hydrogen 2.859 N/A VAL 264.A N SER 261.A O no hydrogen 3.072 N/A GLU 265.A N SER 261.A O no hydrogen 3.243 N/A HIS 266.A N GLU 262.A O no hydrogen 2.968 N/A LEU 267.A N LEU 263.A O no hydrogen 2.921 N/A GLY 268.A N VAL 264.A O no hydrogen 2.990 N/A ASN 269.A N GLU 265.A O no hydrogen 2.925 N/A LEU 270.A N HIS 266.A O no hydrogen 2.942 N/A LEU 271.A N LEU 267.A O no hydrogen 2.819 N/A GLN 272.A N GLY 268.A O no hydrogen 2.925 N/A ALA 273.A N ASN 269.A O no hydrogen 2.785 N/A ASN 274.A N LEU 270.A O no hydrogen 2.805 N/A ALA 275.A N GLN 272.A O no hydrogen 3.085 N/A