Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nw5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 7.A N GLU 7.A OE2 no hydrogen 2.755 N/A TRP 8.A N ASP 6.A OD1 no hydrogen 3.136 N/A GLU 9.A N ASP 6.A O no hydrogen 3.142 N/A VAL 10.A N VAL 84.A O no hydrogen 2.837 N/A ARG 12.A NH1 PRO 90.A O no hydrogen 2.717 N/A ARG 12.A NH2 GLN 87.A O no hydrogen 2.802 N/A ARG 12.A NH2 PRO 90.A O no hydrogen 2.770 N/A LYS 14.A N ALA 11.A O no hydrogen 3.184 N/A ILE 15.A N ARG 12.A O no hydrogen 2.996 N/A THR 16.A N VAL 33.A O no hydrogen 2.909 N/A SER 18.A N GLU 31.A O no hydrogen 2.954 N/A LEU 21.A N VAL 29.A O no hydrogen 2.720 N/A GLY 22.A N VAL 29.A O no hydrogen 3.281 N/A GLN 23.A NE2 GLY 24.A O no hydrogen 2.953 N/A GLY 24.A N GLY 27.A O no hydrogen 2.715 N/A SER 25.A OG MET 172.A O no hydrogen 2.347 N/A VAL 29.A N GLY 22.A O no hydrogen 2.786 N/A TYR 30.A N ILE 48.A O no hydrogen 2.730 N/A GLU 31.A N ARG 19.A O no hydrogen 2.642 N/A GLY 32.A N VAL 46.A O no hydrogen 2.857 N/A VAL 33.A N THR 16.A O no hydrogen 2.942 N/A ALA 34.A N THR 44.A O no hydrogen 2.913 N/A LYS 35.A N LYS 14.A O no hydrogen 2.945 N/A LYS 35.A NZ PRO 42.A O no hydrogen 2.994 N/A GLY 36.A N GLU 41.A O no hydrogen 2.969 N/A GLU 41.A N VAL 38.A O no hydrogen 2.995 N/A THR 44.A N ALA 34.A O no hydrogen 2.965 N/A THR 44.A OG1 GLU 41.A OE1 no hydrogen 2.871 N/A ARG 45.A NH2 GLU 31.A OE2 no hydrogen 2.232 N/A VAL 46.A N GLY 32.A O no hydrogen 2.970 N/A ALA 47.A N MET 95.A O no hydrogen 2.934 N/A ILE 48.A N TYR 30.A O no hydrogen 2.562 N/A LYS 49.A N VAL 93.A O no hydrogen 2.882 N/A LYS 49.A NZ ASP 169.A OD2 no hydrogen 2.731 N/A THR 50.A N MET 28.A O no hydrogen 3.156 N/A THR 50.A OG1 MET 28.A O no hydrogen 2.390 N/A ASN 52.A N PHE 26.A O no hydrogen 2.843 N/A ALA 55.A N ASN 52.A O no hydrogen 3.300 N/A SER 56.A N GLU 59.A OE1 no hydrogen 2.871 N/A SER 56.A OG GLU 59.A OE1 no hydrogen 3.030 N/A ARG 58.A NE ARG 58.A O no hydrogen 3.385 N/A ARG 60.A N SER 56.A O no hydrogen 3.477 N/A ARG 60.A NH1 GLU 53.A O no hydrogen 3.321 N/A ARG 60.A NH1 ALA 55.A O no hydrogen 2.977 N/A ILE 61.A N MET 57.A O no hydrogen 3.085 N/A GLU 62.A N ARG 58.A O no hydrogen 2.819 N/A PHE 63.A N GLU 59.A O no hydrogen 2.825 N/A LEU 64.A N ARG 60.A O no hydrogen 2.937 N/A ASN 65.A N ILE 61.A O no hydrogen 2.823 N/A GLU 66.A N GLU 62.A O no hydrogen 2.904 N/A ALA 67.A N PHE 63.A O no hydrogen 3.119 N/A SER 68.A N LEU 64.A O no hydrogen 3.095 N/A SER 68.A OG LEU 64.A O no hydrogen 2.651 N/A VAL 69.A N GLU 66.A O no hydrogen 3.214 N/A MET 70.A N ALA 67.A O no hydrogen 3.036 N/A LYS 71.A N SER 68.A O no hydrogen 3.320 N/A LYS 71.A NZ TYR 3.A OH no hydrogen 2.930 N/A LYS 71.A NZ ASP 6.A OD1 no hydrogen 3.306 N/A LYS 71.A NZ ASP 6.A OD2 no hydrogen 2.695 N/A LYS 71.A NZ SER 68.A OG no hydrogen 3.226 N/A PHE 73.A N MET 70.A O no hydrogen 3.091 N/A ASN 74.A N TYR 141.A OH no hydrogen 2.879 N/A HIS 77.A ND1 ASP 137.A OD2 no hydrogen 2.801 N/A VAL 78.A N CYS 75.A O no hydrogen 3.200 N/A VAL 79.A N ILE 167.A O no hydrogen 2.945 N/A ARG 80.A N GLU 96.A OE1 no hydrogen 2.959 N/A LEU 82.A N ILE 94.A O no hydrogen 2.706 N/A GLY 83.A N ILE 94.A O no hydrogen 3.252 N/A VAL 84.A N TRP 8.A O no hydrogen 2.864 N/A VAL 85.A N LEU 92.A O no hydrogen 2.957 N/A SER 86.A N GLU 9.A OE2 no hydrogen 2.848 N/A SER 86.A OG GLU 9.A OE1 no hydrogen 2.508 N/A SER 86.A OG GLU 9.A OE2 no hydrogen 3.275 N/A LEU 92.A N VAL 85.A O no hydrogen 3.034 N/A VAL 93.A N LYS 49.A O no hydrogen 3.046 N/A ILE 94.A N GLY 83.A O no hydrogen 2.802 N/A MET 95.A N ALA 47.A O no hydrogen 2.940 N/A GLU 96.A N ARG 80.A O no hydrogen 2.769 N/A THR 99.A OG1 GLU 161.A OE2 no hydrogen 2.694 N/A ARG 100.A N VAL 159.A O no hydrogen 3.094 N/A ARG 100.A NE GLU 161.A O no hydrogen 2.751 N/A ARG 100.A NH2 GLU 161.A O no hydrogen 3.259 N/A GLY 101.A N MET 98.A O no hydrogen 3.439 N/A LEU 103.A N CYS 157.A O no hydrogen 2.858 N/A LYS 104.A NZ ASP 180.A OD1 no hydrogen 3.140 N/A LYS 104.A NZ ASP 180.A OD2 no hydrogen 3.038 N/A LYS 104.A NZ GLN 227.A OE1 no hydrogen 2.609 N/A SER 105.A N ASP 102.A OD1 no hydrogen 3.059 N/A SER 105.A OG ASP 102.A OD1 no hydrogen 3.552 N/A SER 105.A OG ASP 102.A OD2 no hydrogen 2.716 N/A SER 105.A OG TYR 177.A OH no hydrogen 2.450 N/A TYR 106.A N ASP 102.A O no hydrogen 2.919 N/A LEU 107.A N LEU 103.A O no hydrogen 2.938 N/A ARG 108.A N LYS 104.A O no hydrogen 2.851 N/A ARG 108.A NE ALA 225.A O no hydrogen 2.775 N/A ARG 108.A NH2 ALA 225.A O no hydrogen 2.942 N/A ARG 108.A NH2 GLN 227.A OE1 no hydrogen 2.803 N/A SER 109.A N SER 105.A O no hydrogen 3.019 N/A SER 109.A N TYR 106.A O no hydrogen 3.179 N/A SER 109.A OG TYR 106.A O no hydrogen 2.683 N/A LEU 110.A N LEU 107.A O no hydrogen 3.160 N/A ARG 111.A N ARG 108.A O no hydrogen 3.229 N/A ASN 117.A ND2 GLU 113.A OE1 no hydrogen 3.096 N/A LYS 127.A N SER 124.A OG no hydrogen 3.170 N/A MET 128.A N SER 124.A O no hydrogen 2.962 N/A ILE 129.A N LEU 125.A O no hydrogen 2.754 N/A GLN 130.A N SER 126.A O no hydrogen 2.995 N/A GLN 130.A NE2 GLU 134.A OE2 no hydrogen 3.111 N/A MET 131.A N LYS 127.A O no hydrogen 3.283 N/A ALA 132.A N MET 128.A O no hydrogen 3.014 N/A GLY 133.A N ILE 129.A O no hydrogen 3.001 N/A GLU 134.A N GLN 130.A O no hydrogen 3.198 N/A ILE 135.A N MET 131.A O no hydrogen 3.107 N/A ALA 136.A N ALA 132.A O no hydrogen 2.900 N/A ASP 137.A N GLY 133.A O no hydrogen 2.723 N/A GLY 138.A N GLU 134.A O no hydrogen 2.956 N/A MET 139.A N ILE 135.A O no hydrogen 2.928 N/A ALA 140.A N ALA 136.A O no hydrogen 2.842 N/A TYR 141.A N ASP 137.A O no hydrogen 3.028 N/A LEU 142.A N GLY 138.A O no hydrogen 3.001 N/A ASN 143.A N MET 139.A O no hydrogen 2.932 N/A ALA 144.A N ALA 140.A O no hydrogen 2.920 N/A ASN 145.A N TYR 141.A O no hydrogen 3.072 N/A ASN 145.A ND2 TYR 141.A O no hydrogen 2.833 N/A ASN 145.A ND2 GLU 300.A OE1 no hydrogen 2.976 N/A LYS 146.A N ASN 143.A O no hydrogen 2.990 N/A PHE 147.A N LEU 142.A O no hydrogen 2.962 N/A HIS 149.A N ASP 210.A OD2 no hydrogen 2.791 N/A ARG 150.A N ASP 210.A OD1 no hydrogen 3.152 N/A ASP 151.A N HIS 149.A ND1 no hydrogen 3.035 N/A ALA 154.A N GLU 220.A OE1 no hydrogen 3.047 N/A ARG 155.A NE TYR 181.A OH no hydrogen 2.906 N/A ARG 155.A NH2 ASP 151.A OD1 no hydrogen 2.943 N/A ARG 155.A NH2 TYR 181.A OH no hydrogen 3.551 N/A ASN 156.A N ALA 153.A O no hydrogen 2.968 N/A ASN 156.A ND2 ASP 151.A O no hydrogen 2.714 N/A CYS 157.A N ALA 154.A O no hydrogen 3.104 N/A CYS 157.A SG ALA 153.A O no hydrogen 3.579 N/A MET 158.A N LYS 166.A O no hydrogen 2.734 N/A VAL 159.A N GLY 101.A O no hydrogen 2.767 N/A ALA 160.A N THR 164.A O no hydrogen 2.803 N/A PHE 163.A N ALA 160.A O no hydrogen 2.908 N/A THR 164.A N ASP 162.A OD1 no hydrogen 3.078 N/A THR 164.A OG1 ASP 162.A OD1 no hydrogen 2.727 N/A THR 164.A OG1 ASP 162.A OD2 no hydrogen 3.390 N/A VAL 165.A N GLU 134.A OE1 no hydrogen 2.965 N/A LYS 166.A N MET 158.A O no hydrogen 2.817 N/A LYS 166.A NZ HIS 76.A O no hydrogen 2.814 N/A LYS 166.A NZ GLU 96.A OE2 no hydrogen 2.660 N/A ILE 167.A N HIS 77.A O no hydrogen 2.892 N/A GLY 168.A N ASN 156.A O no hydrogen 2.859 N/A TYR 177.A OH ASP 102.A OD1 no hydrogen 2.952 N/A TYR 177.A OH ASP 102.A OD2 no hydrogen 3.044 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.936 N/A ASP 180.A N TYR 177.A O no hydrogen 2.920 N/A TYR 181.A N GLU 178.A O no hydrogen 3.127 N/A TYR 181.A OH ASP 151.A OD2 no hydrogen 2.378 N/A TYR 182.A N LEU 190.A O no hydrogen 2.829 N/A TYR 182.A OH GLU 235.A OE2 no hydrogen 2.712 N/A LYS 184.A N TYR 182.A O no hydrogen 2.941 N/A LYS 184.A NZ LEU 200.A O no hydrogen 2.894 N/A GLY 186.A N ARG 183.A O no hydrogen 3.027 N/A LYS 187.A N LYS 184.A O no hydrogen 2.955 N/A LYS 187.A NZ GLY 185.A O no hydrogen 3.124 N/A LEU 190.A N TYR 182.A O no hydrogen 2.798 N/A VAL 192.A N LEU 190.A O no hydrogen 2.773 N/A ARG 193.A NE ASN 234.A OD1 no hydrogen 3.266 N/A ARG 193.A NH1 PRO 228.A O no hydrogen 2.764 N/A ARG 193.A NH1 TYR 229.A O no hydrogen 2.867 N/A ARG 193.A NH1 LEU 232.A O no hydrogen 3.288 N/A ARG 193.A NH2 LEU 232.A O no hydrogen 2.848 N/A ARG 193.A NH2 ASN 234.A OD1 no hydrogen 3.488 N/A TRP 194.A N PRO 191.A O no hydrogen 2.822 N/A TRP 194.A NE1 GLU 220.A OE1 no hydrogen 2.761 N/A MET 195.A N VAL 192.A O no hydrogen 3.246 N/A SER 196.A OG SER 199.A OG no hydrogen 2.804 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.951 N/A SER 199.A N SER 196.A OG no hydrogen 3.100 N/A SER 199.A OG SER 196.A OG no hydrogen 2.804 N/A SER 199.A OG VAL 204.A O no hydrogen 2.754 N/A LEU 200.A N SER 196.A O no hydrogen 2.959 N/A LYS 201.A N PRO 197.A O no hydrogen 2.850 N/A LYS 201.A NZ TYR 267.A OH no hydrogen 2.862 N/A ASP 202.A N GLU 198.A O no hydrogen 2.792 N/A GLY 203.A N SER 199.A O no hydrogen 3.036 N/A VAL 204.A N ASP 202.A OD1 no hydrogen 3.162 N/A THR 206.A N SER 209.A OG no hydrogen 2.895 N/A TYR 208.A N THR 206.A OG1 no hydrogen 3.204 N/A SER 209.A OG THR 206.A O no hydrogen 2.819 N/A ASP 210.A N THR 206.A O no hydrogen 2.963 N/A VAL 211.A N THR 207.A O no hydrogen 2.811 N/A TRP 212.A N TYR 208.A O no hydrogen 3.147 N/A SER 213.A N SER 209.A O no hydrogen 3.133 N/A SER 213.A OG TRP 194.A O no hydrogen 2.621 N/A SER 213.A OG SER 209.A O no hydrogen 3.222 N/A PHE 214.A N ASP 210.A O no hydrogen 2.938 N/A GLY 215.A N VAL 211.A O no hydrogen 3.153 N/A VAL 216.A N TRP 212.A O no hydrogen 3.265 N/A VAL 217.A N SER 213.A O no hydrogen 2.888 N/A LEU 218.A N PHE 214.A O no hydrogen 2.929 N/A TRP 219.A N GLY 215.A O no hydrogen 3.153 N/A TRP 219.A NE1 ASP 248.A O no hydrogen 2.884 N/A GLU 220.A N VAL 216.A O no hydrogen 2.875 N/A ILE 221.A N VAL 217.A O no hydrogen 2.891 N/A ALA 222.A N LEU 218.A O no hydrogen 2.883 N/A THR 223.A N TRP 219.A O no hydrogen 2.925 N/A THR 223.A N GLU 220.A O no hydrogen 3.266 N/A THR 223.A OG1 TRP 219.A O no hydrogen 2.734 N/A THR 223.A OG1 GLU 220.A O no hydrogen 3.326 N/A LEU 224.A N ILE 221.A O no hydrogen 3.417 N/A ALA 225.A N GLU 220.A O no hydrogen 2.610 N/A GLU 226.A N THR 223.A OG1 no hydrogen 3.245 N/A GLN 227.A N GLN 230.A OE1 no hydrogen 3.041 N/A GLN 227.A NE2 ASP 180.A OD1 no hydrogen 2.959 N/A LEU 232.A N TYR 229.A O no hydrogen 2.893 N/A SER 233.A N GLN 236.A OE1 no hydrogen 2.895 N/A GLN 236.A N SER 233.A OG no hydrogen 3.280 N/A VAL 237.A N SER 233.A O no hydrogen 2.922 N/A LEU 238.A N ASN 234.A O no hydrogen 3.209 N/A ARG 239.A N GLU 235.A O no hydrogen 3.300 N/A PHE 240.A N GLN 236.A O no hydrogen 2.939 N/A VAL 241.A N VAL 237.A O no hydrogen 2.856 N/A MET 242.A N LEU 238.A O no hydrogen 3.144 N/A GLU 243.A N ARG 239.A O no hydrogen 2.979 N/A GLY 244.A N VAL 241.A O no hydrogen 2.936 N/A GLY 245.A N PHE 240.A O no hydrogen 2.737 N/A LYS 249.A NZ ASP 255.A OD1 no hydrogen 2.654 N/A CYS 253.A N PRO 250.A O no hydrogen 3.221 N/A CYS 253.A SG PRO 254.A O no hydrogen 3.640 N/A PHE 258.A N PRO 254.A O no hydrogen 3.087 N/A GLU 259.A N ASP 255.A O no hydrogen 2.681 N/A LEU 260.A N MET 256.A O no hydrogen 3.262 N/A MET 261.A N LEU 257.A O no hydrogen 3.106 N/A ARG 262.A N PHE 258.A O no hydrogen 2.922 N/A MET 263.A N GLU 259.A O no hydrogen 2.927 N/A CYS 264.A N LEU 260.A O no hydrogen 3.145 N/A CYS 264.A SG LEU 260.A O no hydrogen 3.349 N/A TRP 265.A N MET 261.A O no hydrogen 2.945 N/A TRP 265.A N ARG 262.A O no hydrogen 3.244 N/A GLN 266.A N MET 263.A O no hydrogen 3.378 N/A TYR 267.A OH MET 242.A O no hydrogen 2.544 N/A LYS 270.A N ASN 268.A OD1 no hydrogen 3.252 N/A MET 271.A N ASN 268.A O no hydrogen 3.118 N/A ARG 272.A N PRO 269.A O no hydrogen 3.353 N/A ARG 272.A NE GLN 266.A O no hydrogen 2.680 N/A ARG 272.A NH1 GLU 198.A OE1 no hydrogen 3.351 N/A ARG 272.A NH1 GLU 198.A OE2 no hydrogen 2.741 N/A ARG 272.A NH1 TYR 208.A O no hydrogen 3.290 N/A ARG 272.A NH2 GLU 198.A OE1 no hydrogen 2.937 N/A ARG 272.A NH2 GLN 266.A O no hydrogen 3.103 N/A SER 274.A N GLU 277.A OE1 no hydrogen 3.436 N/A GLU 277.A N SER 274.A OG no hydrogen 2.987 N/A ILE 278.A N SER 274.A O no hydrogen 3.087 N/A ILE 279.A N PHE 275.A O no hydrogen 2.989 N/A SER 280.A N LEU 276.A O no hydrogen 2.915 N/A SER 281.A N GLU 277.A O no hydrogen 3.097 N/A SER 281.A OG ILE 278.A O no hydrogen 2.650 N/A ILE 282.A N ILE 279.A O no hydrogen 2.949 N/A LYS 283.A NZ SER 280.A O no hydrogen 2.840 N/A LYS 283.A NZ GLU 284.A OE2 no hydrogen 2.748 N/A GLU 285.A N ILE 282.A O no hydrogen 2.979 N/A MET 286.A N LYS 283.A O no hydrogen 3.376 N/A GLU 287.A N GLN 130.A OE1 no hydrogen 2.842 N/A PHE 290.A N GLU 287.A O no hydrogen 2.978 N/A ARG 291.A N PRO 288.A O no hydrogen 3.363 N/A GLU 292.A N GLY 289.A O no hydrogen 2.837 N/A VAL 293.A N GLY 289.A O no hydrogen 3.133 N/A VAL 293.A N PHE 290.A O no hydrogen 3.320 N/A SER 294.A N PHE 290.A O no hydrogen 3.006 N/A SER 294.A OG PHE 290.A O no hydrogen 2.681 N/A PHE 295.A N ASP 137.A OD2 no hydrogen 2.710 N/A TYR 296.A N ASP 137.A OD1 no hydrogen 2.762 N/A TYR 297.A N SER 294.A OG no hydrogen 3.211 N/A SER 298.A N PHE 295.A O no hydrogen 2.955 N/A SER 298.A OG PHE 295.A O no hydrogen 2.729 N/A ASN 301.A N SER 298.A O no hydrogen 3.105 N/A ASN 301.A ND2 TYR 296.A O no hydrogen 2.823 N/A LYS 302.A N GLU 300.A O no hydrogen 2.823 N/A