Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1vbj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 4.A OE1 no hydrogen 2.606 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.618 N/A PHE 5.A N SER 2.A OG no hydrogen 3.149 N/A ALA 7.A N GLU 4.A O no hydrogen 3.385 N/A LEU 8.A N GLY 47.A O no hydrogen 2.622 N/A THR 9.A N ALA 7.A O no hydrogen 2.949 N/A SER 11.A OG THR 9.A O no hydrogen 2.590 N/A LEU 12.A N MET 20.A O no hydrogen 2.853 N/A LEU 14.A N VAL 18.A O no hydrogen 2.816 N/A ASN 16.A ND2 TYR 133.A OH no hydrogen 2.867 N/A ASN 16.A ND2 ARG 139.A O no hydrogen 3.018 N/A GLY 17.A N LEU 14.A O no hydrogen 2.901 N/A VAL 18.A N ASN 16.A OD1 no hydrogen 3.236 N/A MET 20.A N LEU 12.A O no hydrogen 2.900 N/A VAL 22.A N GLN 10.A O no hydrogen 2.848 N/A GLY 24.A N THR 232.A O no hydrogen 2.723 N/A PHE 25.A N HIS 50.A O no hydrogen 2.867 N/A GLY 26.A N PRO 234.A O no hydrogen 2.952 N/A MET 27.A N ASP 52.A O no hydrogen 3.060 N/A GLY 33.A N SER 62.A OG no hydrogen 2.569 N/A ALA 36.A N GLN 31.A O no hydrogen 3.026 N/A GLU 37.A N GLY 33.A O no hydrogen 3.026 N/A THR 38.A N ASN 34.A O no hydrogen 2.748 N/A THR 38.A OG1 ASN 34.A O no hydrogen 2.414 N/A THR 38.A OG1 GLU 35.A O no hydrogen 2.900 N/A ALA 39.A N GLU 35.A O no hydrogen 2.944 N/A THR 40.A N ALA 36.A O no hydrogen 2.931 N/A THR 40.A OG1 ALA 36.A O no hydrogen 2.781 N/A MET 41.A N GLU 37.A O no hydrogen 3.008 N/A TRP 42.A N THR 38.A O no hydrogen 2.897 N/A ALA 43.A N ALA 39.A O no hydrogen 3.046 N/A ILE 44.A N THR 40.A O no hydrogen 2.959 N/A LYS 45.A N MET 41.A O no hydrogen 2.863 N/A SER 46.A N TRP 42.A O no hydrogen 2.904 N/A SER 46.A N ALA 43.A O no hydrogen 2.874 N/A SER 46.A OG TRP 42.A O no hydrogen 2.726 N/A GLY 47.A N ILE 44.A O no hydrogen 3.190 N/A TYR 48.A N ALA 43.A O no hydrogen 3.165 N/A TYR 48.A OH ILE 242.A O no hydrogen 2.815 N/A ARG 49.A NH2 ILE 44.A O no hydrogen 2.972 N/A ARG 49.A NH2 TYR 48.A O no hydrogen 2.923 N/A HIS 50.A ND1 PRO 21.A O no hydrogen 2.833 N/A ILE 51.A N PHE 78.A O no hydrogen 2.819 N/A ASP 52.A N PHE 25.A O no hydrogen 2.863 N/A THR 53.A N THR 80.A O no hydrogen 2.900 N/A TYR 57.A N ALA 54.A O no hydrogen 2.784 N/A LYS 58.A N ALA 55.A O no hydrogen 2.872 N/A ASN 59.A ND2 MET 27.A O no hydrogen 2.918 N/A SER 62.A OG ASP 32.A OD1 no hydrogen 2.678 N/A SER 62.A OG GLY 33.A O no hydrogen 3.429 N/A ALA 63.A N ASN 59.A O no hydrogen 3.093 N/A GLY 64.A N GLU 60.A O no hydrogen 2.848 N/A ARG 65.A N GLU 61.A O no hydrogen 3.060 N/A ARG 65.A NH1 GLU 37.A OE1 no hydrogen 3.051 N/A ALA 66.A N SER 62.A O no hydrogen 3.185 N/A ILE 67.A N ALA 63.A O no hydrogen 3.006 N/A ALA 68.A N GLY 64.A O no hydrogen 2.786 N/A SER 69.A N ALA 66.A O no hydrogen 3.107 N/A SER 69.A OG ARG 65.A O no hydrogen 2.834 N/A CYS 70.A N ALA 66.A O no hydrogen 2.807 N/A CYS 70.A SG ILE 67.A O no hydrogen 3.146 N/A CYS 70.A SG VAL 72.A O no hydrogen 3.863 N/A ARG 74.A NE ARG 74.A O no hydrogen 2.829 N/A ARG 74.A NH1 ARG 74.A O no hydrogen 3.140 N/A ARG 74.A NH1 ASP 110.A OD1 no hydrogen 3.375 N/A ARG 74.A NH1 ASP 110.A OD2 no hydrogen 2.419 N/A GLU 76.A N PRO 73.A O no hydrogen 2.899 N/A LEU 77.A N ARG 74.A O no hydrogen 3.017 N/A PHE 78.A N ARG 49.A O no hydrogen 2.816 N/A VAL 79.A N ASP 110.A OD2 no hydrogen 2.704 N/A THR 80.A N ILE 51.A O no hydrogen 2.959 N/A THR 81.A N LEU 111.A O no hydrogen 3.182 N/A LYS 82.A NZ ASP 52.A OD1 no hydrogen 3.492 N/A LYS 82.A NZ ASP 52.A OD2 no hydrogen 2.779 N/A LYS 82.A NZ THR 53.A O no hydrogen 2.971 N/A LYS 82.A NZ TYR 57.A OH no hydrogen 3.253 N/A LEU 83.A N LEU 113.A O no hydrogen 2.805 N/A TRP 84.A NE1 ASP 280.A OD2 no hydrogen 2.648 N/A ASN 85.A ND2 ASN 279.A O no hydrogen 2.856 N/A ASP 87.A N TRP 84.A O no hydrogen 2.895 N/A GLN 88.A N ASN 85.A O no hydrogen 3.210 N/A GLN 88.A NE2 TRP 116.A O no hydrogen 2.769 N/A GLY 89.A N THR 125.A OG1 no hydrogen 2.876 N/A THR 93.A N GLY 89.A O no hydrogen 2.769 N/A THR 93.A N TYR 90.A O no hydrogen 3.147 N/A THR 93.A OG1 ASP 87.A O no hydrogen 3.514 N/A THR 93.A OG1 GLY 89.A O no hydrogen 2.631 N/A LEU 94.A N TYR 90.A O no hydrogen 3.208 N/A SER 95.A N GLU 91.A O no hydrogen 3.223 N/A SER 95.A OG GLU 91.A O no hydrogen 3.223 N/A ALA 96.A N SER 92.A O no hydrogen 2.953 N/A PHE 97.A N THR 93.A O no hydrogen 2.789 N/A GLU 98.A N LEU 94.A O no hydrogen 3.105 N/A LYS 99.A N SER 95.A O no hydrogen 3.204 N/A SER 100.A N ALA 96.A O no hydrogen 2.985 N/A SER 100.A OG GLU 60.A OE1 no hydrogen 3.538 N/A SER 100.A OG GLU 60.A OE2 no hydrogen 2.836 N/A SER 100.A OG ALA 96.A O no hydrogen 3.450 N/A ILE 101.A N PHE 97.A O no hydrogen 2.793 N/A LYS 102.A N GLU 98.A O no hydrogen 2.899 N/A LYS 103.A N LYS 99.A O no hydrogen 3.158 N/A LYS 103.A N SER 100.A O no hydrogen 3.088 N/A LEU 104.A N SER 100.A O no hydrogen 3.010 N/A LEU 106.A N ILE 101.A O no hydrogen 3.343 N/A VAL 109.A N LYS 137.A O no hydrogen 2.716 N/A ASP 110.A N VAL 79.A O no hydrogen 3.153 N/A LEU 111.A N VAL 79.A O no hydrogen 3.264 N/A TYR 112.A N ALA 140.A O no hydrogen 3.326 N/A LEU 113.A N THR 81.A O no hydrogen 3.152 N/A ILE 114.A N GLY 142.A O no hydrogen 3.303 N/A HIS 115.A N LEU 83.A O no hydrogen 3.223 N/A THR 125.A N LYS 121.A O no hydrogen 3.207 N/A THR 125.A OG1 GLN 88.A OE1 no hydrogen 3.545 N/A THR 125.A OG1 LYS 121.A O no hydrogen 2.546 N/A TRP 126.A N PHE 122.A O no hydrogen 2.774 N/A TRP 126.A NE1 VAL 160.A O no hydrogen 2.661 N/A LYS 127.A N ILE 123.A O no hydrogen 3.419 N/A PHE 129.A N THR 125.A O no hydrogen 3.274 N/A GLU 130.A N TRP 126.A O no hydrogen 2.842 N/A LYS 131.A N LYS 127.A O no hydrogen 2.984 N/A LEU 132.A N ALA 128.A O no hydrogen 2.960 N/A TYR 133.A N PHE 129.A O no hydrogen 2.890 N/A ALA 134.A N GLU 130.A O no hydrogen 2.947 N/A ASP 135.A N LYS 131.A O no hydrogen 3.045 N/A LYS 136.A N TYR 133.A O no hydrogen 2.979 N/A LYS 137.A N LEU 132.A O no hydrogen 2.805 N/A LYS 137.A NZ GLU 98.A OE2 no hydrogen 3.278 N/A ARG 139.A N VAL 109.A O no hydrogen 2.952 N/A ARG 139.A NE ASP 110.A OD1 no hydrogen 2.924 N/A ARG 139.A NH2 ASP 110.A OD1 no hydrogen 2.814 N/A GLY 142.A N TYR 112.A O no hydrogen 2.901 N/A VAL 143.A N VAL 164.A O no hydrogen 2.667 N/A SER 144.A OG HIS 115.A O no hydrogen 3.558 N/A SER 144.A OG ASN 145.A OD1 no hydrogen 3.529 N/A SER 144.A OG GLN 166.A O no hydrogen 2.870 N/A ASN 145.A N GLN 166.A O no hydrogen 2.942 N/A HIS 147.A N HIS 150.A ND1 no hydrogen 2.839 N/A HIS 147.A ND1 GLU 275.A OE2 no hydrogen 2.675 N/A GLU 148.A N GLU 148.A OE2 no hydrogen 2.707 N/A HIS 149.A NE2 GLU 275.A OE2 no hydrogen 2.571 N/A HIS 150.A N HIS 147.A O no hydrogen 3.074 N/A ILE 151.A N HIS 147.A O no hydrogen 3.271 N/A GLU 152.A N GLU 148.A O no hydrogen 3.004 N/A GLU 153.A N HIS 149.A O no hydrogen 3.117 N/A LEU 154.A N HIS 150.A O no hydrogen 3.067 N/A LEU 155.A N ILE 151.A O no hydrogen 2.738 N/A LYS 156.A N GLU 153.A O no hydrogen 3.415 N/A HIS 157.A N LEU 154.A O no hydrogen 2.881 N/A CYS 158.A SG LEU 154.A O no hydrogen 3.435 N/A CYS 158.A SG VAL 160.A O no hydrogen 3.510 N/A LYS 159.A N GLU 130.A OE2 no hydrogen 2.652 N/A VAL 160.A N GLU 130.A OE2 no hydrogen 2.711 N/A MET 163.A N ILE 141.A O no hydrogen 2.939 N/A ASN 165.A N ALA 188.A O no hydrogen 2.823 N/A GLN 166.A N VAL 143.A O no hydrogen 2.981 N/A ILE 167.A N THR 190.A O no hydrogen 2.975 N/A LEU 169.A N TRP 192.A O no hydrogen 3.152 N/A HIS 170.A N LEU 173.A O no hydrogen 3.262 N/A HIS 170.A NE2 GLU 168.A OE2 no hydrogen 2.732 N/A LEU 172.A N HIS 170.A ND1 no hydrogen 3.219 N/A LEU 173.A N HIS 170.A O no hydrogen 2.861 N/A ASN 174.A N ASN 265.A OD1 no hydrogen 2.995 N/A ASN 174.A ND2 ASP 262.A O no hydrogen 3.405 N/A LYS 176.A N ASN 174.A OD1 no hydrogen 2.950 N/A LYS 176.A NZ ASP 262.A OD2 no hydrogen 2.727 N/A CYS 179.A N GLN 175.A O no hydrogen 2.909 N/A CYS 179.A SG GLN 175.A O no hydrogen 3.415 N/A GLU 180.A N LYS 176.A O no hydrogen 3.030 N/A TYR 181.A N ALA 177.A O no hydrogen 2.964 N/A TYR 181.A OH GLU 152.A OE2 no hydrogen 2.555 N/A CYS 182.A N LEU 178.A O no hydrogen 2.906 N/A CYS 182.A SG ASN 165.A OD1 no hydrogen 3.660 N/A CYS 182.A SG LEU 178.A O no hydrogen 3.307 N/A LYS 183.A N CYS 179.A O no hydrogen 2.976 N/A SER 184.A N GLU 180.A O no hydrogen 3.034 N/A SER 184.A OG GLU 180.A O no hydrogen 2.871 N/A LYS 185.A N TYR 181.A O no hydrogen 3.236 N/A LYS 185.A N CYS 182.A O no hydrogen 3.091 N/A ASN 186.A N LYS 183.A O no hydrogen 3.106 N/A ILE 187.A N CYS 182.A O no hydrogen 2.754 N/A ALA 188.A N MET 163.A O no hydrogen 2.957 N/A THR 190.A N ASN 165.A O no hydrogen 3.251 N/A ALA 191.A N ILE 231.A O no hydrogen 2.697 N/A TRP 192.A N ILE 167.A O no hydrogen 2.842 N/A SER 193.A OG GLN 197.A OE1 no hydrogen 2.836 N/A GLY 196.A N SER 193.A O no hydrogen 2.915 N/A GLY 198.A N LEU 195.A O no hydrogen 2.949 N/A HIS 199.A N GLY 196.A O no hydrogen 3.018 N/A HIS 199.A ND1 GLY 196.A O no hydrogen 2.946 N/A ASP 203.A N LEU 200.A O no hydrogen 3.233 N/A ARG 205.A NE ASP 203.A OD2 no hydrogen 3.266 N/A ARG 205.A NH2 ASP 203.A OD1 no hydrogen 3.282 N/A LEU 206.A N ASP 203.A OD2 no hydrogen 3.208 N/A LYS 207.A N ASP 203.A O no hydrogen 2.792 N/A ALA 208.A N ALA 204.A O no hydrogen 2.938 N/A ILE 209.A N ARG 205.A O no hydrogen 3.254 N/A GLY 210.A N LEU 206.A O no hydrogen 2.881 N/A GLY 211.A N LYS 207.A O no hydrogen 2.774 N/A LYS 212.A N ILE 209.A O no hydrogen 3.068 N/A LYS 212.A NZ ASP 257.A OD1 no hydrogen 3.293 N/A LYS 212.A NZ ASP 257.A OD2 no hydrogen 2.698 N/A TYR 213.A N GLY 210.A O no hydrogen 2.918 N/A TYR 213.A OH ASP 257.A OD1 no hydrogen 2.519 N/A GLY 214.A N GLY 211.A O no hydrogen 3.487 N/A LYS 215.A N GLY 210.A O no hydrogen 2.918 N/A LYS 215.A NZ ASN 247.A O no hydrogen 2.763 N/A LYS 215.A NZ ASP 250.A OD2 no hydrogen 3.519 N/A THR 216.A N GLN 219.A OE1 no hydrogen 2.761 N/A THR 216.A OG1 GLN 219.A OE1 no hydrogen 3.303 N/A THR 216.A OG1 GLU 244.A OE2 no hydrogen 2.787 N/A GLN 219.A N THR 216.A OG1 no hydrogen 3.249 N/A GLN 219.A NE2 GLU 244.A O no hydrogen 3.083 N/A VAL 220.A N THR 216.A O no hydrogen 2.919 N/A MET 221.A N ALA 217.A O no hydrogen 2.937 N/A LEU 222.A N ALA 218.A O no hydrogen 3.197 N/A ARG 223.A N GLN 219.A O no hydrogen 2.998 N/A ARG 223.A NE GLN 227.A OE1 no hydrogen 2.645 N/A ARG 223.A NH1 GLN 227.A OE1 no hydrogen 3.549 N/A ARG 223.A NH2 ILE 248.A O no hydrogen 2.874 N/A TRP 224.A N VAL 220.A O no hydrogen 2.876 N/A TRP 224.A NE1 ASP 262.A OD1 no hydrogen 2.650 N/A GLU 225.A N MET 221.A O no hydrogen 2.952 N/A ILE 226.A N LEU 222.A O no hydrogen 3.024 N/A GLN 227.A N ARG 223.A O no hydrogen 2.929 N/A GLN 227.A NE2 LEU 253.A O no hydrogen 3.294 N/A ALA 228.A N TRP 224.A O no hydrogen 3.050 N/A ALA 228.A N GLU 225.A O no hydrogen 2.968 N/A GLY 229.A N ILE 226.A O no hydrogen 3.060 N/A VAL 230.A N GLU 225.A O no hydrogen 3.274 N/A ILE 231.A N VAL 189.A O no hydrogen 2.824 N/A THR 232.A N VAL 22.A O no hydrogen 2.715 N/A THR 232.A OG1 GLU 225.A OE1 no hydrogen 2.913 N/A SER 236.A OG ASN 238.A O no hydrogen 3.187 N/A ASN 238.A N SER 236.A OG no hydrogen 3.024 N/A ILE 242.A N ASN 238.A O no hydrogen 3.142 N/A LYS 243.A N GLU 239.A O no hydrogen 3.357 N/A GLU 244.A N ALA 240.A O no hydrogen 2.988 N/A ASN 245.A N ARG 241.A O no hydrogen 2.912 N/A GLY 246.A N LYS 243.A O no hydrogen 3.101 N/A ASN 247.A N GLU 244.A O no hydrogen 3.048 N/A ASN 247.A ND2 ASP 250.A OD2 no hydrogen 2.526 N/A LEU 253.A N GLN 227.A OE1 no hydrogen 2.789 N/A ASP 257.A N THR 254.A OG1 no hydrogen 3.225 N/A ILE 258.A N THR 254.A O no hydrogen 3.093 N/A GLN 259.A N ALA 255.A O no hydrogen 3.156 N/A VAL 260.A N GLU 256.A O no hydrogen 2.910 N/A ILE 261.A N ASP 257.A O no hydrogen 2.840 N/A ASP 262.A N ILE 258.A O no hydrogen 2.839 N/A GLY 263.A N GLN 259.A O no hydrogen 2.973 N/A GLY 263.A N VAL 260.A O no hydrogen 3.041 N/A MET 264.A N ILE 261.A O no hydrogen 2.959 N/A ALA 266.A N LEU 172.A O no hydrogen 2.908 N/A HIS 268.A N LEU 172.A O no hydrogen 2.980 N/A TYR 270.A N GLU 168.A OE2 no hydrogen 2.658 N/A GLY 271.A N GLU 168.A OE1 no hydrogen 2.946 N/A GLU 275.A N ASP 273.A OD2 no hydrogen 2.858 N/A VAL 276.A N ASP 273.A O no hydrogen 2.763 N/A PHE 277.A N ASP 273.A O no hydrogen 2.988 N/A PHE 281.A N MET 278.A O no hydrogen 3.108 N/A