Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nst_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N SER 2.A O no hydrogen 2.930 N/A TRP 4.A NE1 GLU 1.A O no hydrogen 2.968 N/A GLY 5.A N ILE 77.A O no hydrogen 2.912 N/A LYS 6.A NZ ASP 3.A OD1 no hydrogen 2.590 N/A LYS 6.A NZ TRP 4.A O no hydrogen 3.385 N/A ARG 7.A NH1 ASP 31.A OD2 no hydrogen 3.448 N/A ARG 7.A NH1 GLU 76.A OE2 no hydrogen 2.809 N/A ARG 7.A NH2 ASP 31.A OD1 no hydrogen 3.523 N/A CYS 8.A SG THR 79.A O no hydrogen 3.518 N/A VAL 9.A N THR 79.A O no hydrogen 2.827 N/A LYS 11.A N CYS 8.A O no hydrogen 3.202 N/A PHE 12.A N VAL 9.A O no hydrogen 2.870 N/A ASP 13.A N LYS 30.A O no hydrogen 2.766 N/A ILE 15.A N LYS 28.A O no hydrogen 3.079 N/A GLY 16.A N LYS 28.A O no hydrogen 3.490 N/A ILE 18.A N VAL 26.A O no hydrogen 2.916 N/A GLY 19.A N VAL 26.A O no hydrogen 3.286 N/A TYR 23.A OH GLU 59.A OE1 no hydrogen 2.892 N/A VAL 26.A N GLY 19.A O no hydrogen 2.998 N/A TYR 27.A N LEU 40.A O no hydrogen 2.781 N/A LYS 28.A N GLY 16.A O no hydrogen 2.872 N/A LYS 28.A NZ ASP 314.A OD2 no hydrogen 3.047 N/A ALA 29.A N VAL 38.A O no hydrogen 3.000 N/A LYS 30.A N ASP 13.A O no hydrogen 2.692 N/A ASP 31.A N GLU 36.A O no hydrogen 2.794 N/A LYS 32.A N LYS 11.A O no hydrogen 3.085 N/A ASP 33.A N ASP 31.A OD1 no hydrogen 2.862 N/A THR 34.A N ASP 31.A OD1 no hydrogen 3.269 N/A GLY 35.A N ASP 31.A O no hydrogen 2.682 N/A GLU 36.A N THR 34.A OG1 no hydrogen 3.316 N/A VAL 38.A N ALA 29.A O no hydrogen 2.990 N/A ALA 39.A N PHE 90.A O no hydrogen 2.881 N/A LEU 40.A N TYR 27.A O no hydrogen 2.716 N/A LYS 41.A N LEU 88.A O no hydrogen 2.944 N/A LYS 41.A NZ TYR 23.A OH no hydrogen 3.387 N/A LYS 41.A NZ GLU 59.A OE2 no hydrogen 3.031 N/A LYS 42.A N GLN 25.A O no hydrogen 2.966 N/A VAL 43.A N PHE 86.A O no hydrogen 2.743 N/A ARG 44.A N TYR 23.A O no hydrogen 3.145 N/A ARG 44.A NH2 GLN 25.A OE1 no hydrogen 1.738 N/A GLU 48.A N LEU 45.A O no hydrogen 3.266 N/A GLY 51.A N GLU 48.A O no hydrogen 3.326 N/A ILE 57.A N PRO 53.A O no hydrogen 3.005 N/A ARG 58.A N ILE 54.A O no hydrogen 2.934 N/A GLU 59.A N THR 55.A O no hydrogen 3.149 N/A ILE 60.A N ALA 56.A O no hydrogen 2.748 N/A LYS 61.A N ILE 57.A O no hydrogen 3.013 N/A ILE 62.A N ARG 58.A O no hydrogen 3.126 N/A LEU 63.A N GLU 59.A O no hydrogen 2.878 N/A ARG 64.A N ILE 60.A O no hydrogen 3.139 N/A GLN 65.A N ILE 62.A O no hydrogen 2.847 N/A LEU 66.A N LEU 63.A O no hydrogen 3.080 N/A ILE 67.A N TYR 126.A OH no hydrogen 3.064 N/A ARG 69.A NH2 GLU 122.A OE1 no hydrogen 2.629 N/A SER 70.A N HIS 68.A ND1 no hydrogen 3.032 N/A SER 70.A OG GLN 119.A O no hydrogen 3.248 N/A VAL 71.A N HIS 68.A O no hydrogen 3.224 N/A VAL 72.A N LEU 152.A O no hydrogen 2.990 N/A LYS 75.A N VAL 89.A O no hydrogen 2.716 N/A VAL 78.A N TYR 87.A O no hydrogen 2.979 N/A THR 79.A N ARG 7.A O no hydrogen 3.021 N/A THR 79.A OG1 ASP 80.A O no hydrogen 3.102 N/A ASP 80.A N ALA 85.A O no hydrogen 3.186 N/A LYS 81.A NZ ASP 80.A OD1 no hydrogen 2.812 N/A ALA 85.A N ASP 80.A OD2 no hydrogen 3.082 N/A PHE 86.A N VAL 43.A O no hydrogen 3.002 N/A TYR 87.A N VAL 78.A O no hydrogen 2.950 N/A TYR 87.A OH ASP 80.A OD1 no hydrogen 2.938 N/A LEU 88.A N LYS 41.A O no hydrogen 2.870 N/A VAL 89.A N GLU 76.A O no hydrogen 3.080 N/A PHE 90.A N ALA 39.A O no hydrogen 2.988 N/A TYR 92.A N LEU 37.A O no hydrogen 3.252 N/A TYR 92.A OH ASP 314.A OD2 no hydrogen 2.498 N/A HIS 95.A N LEU 144.A O no hydrogen 2.993 N/A HIS 95.A NE2 ASN 146.A OD1 no hydrogen 2.668 N/A ASP 96.A N CYS 315.A O no hydrogen 3.061 N/A LEU 97.A N ILE 142.A O no hydrogen 2.944 N/A GLY 99.A N ASP 96.A OD2 no hydrogen 2.883 N/A LEU 100.A N ASP 96.A O no hydrogen 3.205 N/A LEU 101.A N LEU 97.A O no hydrogen 3.077 N/A GLU 102.A N MET 98.A O no hydrogen 2.969 N/A SER 103.A N GLY 99.A O no hydrogen 2.746 N/A SER 103.A N LEU 100.A O no hydrogen 2.913 N/A SER 103.A OG LEU 100.A O no hydrogen 2.595 N/A LEU 105.A N SER 103.A OG no hydrogen 2.945 N/A HIS 112.A N SER 109.A OG no hydrogen 3.001 N/A ILE 113.A N SER 109.A O no hydrogen 2.996 N/A LYS 114.A N GLU 110.A O no hydrogen 2.991 N/A LYS 114.A NZ PHE 295.A O no hydrogen 3.360 N/A SER 115.A N ASP 111.A O no hydrogen 3.252 N/A SER 115.A OG GLN 119.A OE1 no hydrogen 3.446 N/A PHE 116.A N HIS 112.A O no hydrogen 2.851 N/A MET 117.A N ILE 113.A O no hydrogen 2.777 N/A LYS 118.A N LYS 114.A O no hydrogen 2.743 N/A LYS 118.A NZ LEU 296.A O no hydrogen 3.236 N/A LYS 118.A NZ VAL 299.A O no hydrogen 3.413 N/A GLN 119.A N SER 115.A O no hydrogen 3.214 N/A LEU 120.A N PHE 116.A O no hydrogen 2.886 N/A MET 121.A N MET 117.A O no hydrogen 2.896 N/A GLU 122.A N LYS 118.A O no hydrogen 3.165 N/A GLY 123.A N GLN 119.A O no hydrogen 3.043 N/A LEU 124.A N LEU 120.A O no hydrogen 2.770 N/A GLU 125.A N MET 121.A O no hydrogen 2.795 N/A TYR 126.A N GLU 122.A O no hydrogen 3.079 N/A CYS 127.A N GLY 123.A O no hydrogen 3.184 N/A CYS 127.A SG GLY 123.A O no hydrogen 3.433 N/A HIS 128.A N LEU 124.A O no hydrogen 2.879 N/A HIS 128.A NE2 ASP 194.A OD2 no hydrogen 2.978 N/A LYS 129.A N GLU 125.A O no hydrogen 2.948 N/A LYS 130.A N TYR 126.A O no hydrogen 3.226 N/A LYS 130.A N CYS 127.A O no hydrogen 3.053 N/A LYS 130.A NZ GLN 65.A O no hydrogen 3.519 N/A ASN 131.A N HIS 128.A O no hydrogen 2.945 N/A PHE 132.A N CYS 127.A O no hydrogen 2.966 N/A LEU 133.A N ARG 159.A O no hydrogen 2.956 N/A HIS 134.A N ASP 194.A OD2 no hydrogen 2.830 N/A HIS 134.A NE2 ALA 153.A O no hydrogen 2.838 N/A ARG 135.A N ASP 194.A OD1 no hydrogen 2.903 N/A ARG 135.A NE LEU 157.A O no hydrogen 2.740 N/A ARG 135.A NH1 TYR 189.A OH no hydrogen 3.137 N/A ARG 135.A NH2 LEU 157.A O no hydrogen 2.993 N/A ASP 136.A N HIS 134.A ND1 no hydrogen 2.890 N/A CYS 139.A SG TYR 177.A OH no hydrogen 3.551 N/A CYS 139.A SG GLU 204.A OE1 no hydrogen 3.578 N/A CYS 139.A SG GLU 204.A OE2 no hydrogen 3.543 N/A ASN 141.A N LYS 138.A O no hydrogen 2.957 N/A ASN 141.A ND2 ASP 136.A O no hydrogen 2.767 N/A ASN 141.A ND2 ASP 136.A OD2 no hydrogen 3.329 N/A ILE 142.A N CYS 139.A O no hydrogen 2.979 N/A LEU 143.A N LYS 151.A O no hydrogen 2.924 N/A LEU 144.A N HIS 95.A O no hydrogen 2.993 N/A ASN 145.A N GLN 149.A O no hydrogen 3.002 N/A ASN 146.A N ASP 94.A OD2 no hydrogen 2.919 N/A GLY 148.A N ASN 145.A O no hydrogen 2.771 N/A GLN 149.A N ASN 145.A OD1 no hydrogen 3.079 N/A LYS 151.A N LEU 143.A O no hydrogen 2.834 N/A LYS 151.A NZ ARG 69.A O no hydrogen 2.538 N/A LEU 152.A N SER 70.A O no hydrogen 2.743 N/A ALA 153.A N ASN 141.A O no hydrogen 2.926 N/A ALA 158.A N PHE 155.A O no hydrogen 3.201 N/A ARG 159.A N LEU 133.A O no hydrogen 3.188 N/A ARG 159.A NE LEU 160.A O no hydrogen 2.860 N/A TYR 161.A N ASN 131.A O no hydrogen 2.857 N/A ASN 162.A N TYR 169.A OH no hydrogen 2.814 N/A SER 163.A OG ASN 131.A OD1 no hydrogen 3.115 N/A GLU 165.A N ASN 162.A OD1 no hydrogen 3.374 N/A TYR 169.A N GLU 187.A O no hydrogen 2.647 N/A ASN 170.A ND2 LEU 182.A O no hydrogen 2.956 N/A ASN 170.A ND2 GLU 186.A O no hydrogen 2.594 N/A VAL 172.A N ASN 170.A O no hydrogen 2.922 N/A TRP 176.A NE1 ALA 214.A O no hydrogen 3.047 N/A TYR 177.A N THR 174.A O no hydrogen 3.089 N/A TYR 177.A OH GLU 204.A OE1 no hydrogen 2.659 N/A ARG 178.A N LEU 175.A O no hydrogen 3.172 N/A ARG 178.A NE VAL 172.A O no hydrogen 3.239 N/A ARG 178.A NE ILE 173.A O no hydrogen 2.972 N/A ARG 178.A NH1 GLU 217.A OE2 no hydrogen 3.248 N/A ARG 178.A NH2 ILE 173.A O no hydrogen 3.099 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.665 N/A LEU 182.A N PRO 179.A O no hydrogen 3.120 N/A LEU 183.A N PRO 179.A O no hydrogen 3.339 N/A LEU 184.A N PRO 180.A O no hydrogen 2.959 N/A GLY 185.A N LEU 182.A O no hydrogen 2.834 N/A GLU 186.A N GLU 181.A O no hydrogen 2.771 N/A GLU 187.A N GLU 186.A OE1 no hydrogen 3.151 N/A ARG 188.A N GLU 186.A OE1 no hydrogen 2.868 N/A ALA 192.A N THR 190.A OG1 no hydrogen 3.210 N/A ILE 193.A N THR 190.A O no hydrogen 3.020 N/A ASP 194.A N PRO 191.A O no hydrogen 3.071 N/A TRP 196.A N ALA 192.A O no hydrogen 3.194 N/A SER 197.A N ILE 193.A O no hydrogen 3.316 N/A SER 197.A OG TYR 177.A O no hydrogen 3.244 N/A SER 197.A OG ILE 193.A O no hydrogen 3.446 N/A CYS 198.A N ASP 194.A O no hydrogen 2.908 N/A CYS 198.A SG ASP 194.A O no hydrogen 3.520 N/A GLY 199.A N VAL 195.A O no hydrogen 2.921 N/A CYS 200.A N TRP 196.A O no hydrogen 3.134 N/A CYS 200.A SG TRP 196.A O no hydrogen 3.496 N/A ILE 201.A N SER 197.A O no hydrogen 3.095 N/A LEU 202.A N CYS 198.A O no hydrogen 2.830 N/A GLY 203.A N GLY 199.A O no hydrogen 3.013 N/A GLU 204.A N CYS 200.A O no hydrogen 2.935 N/A LEU 205.A N ILE 201.A O no hydrogen 2.870 N/A THR 207.A N GLY 203.A O no hydrogen 3.245 N/A LYS 208.A N GLU 204.A O no hydrogen 2.531 N/A LYS 208.A NZ HIS 107.A ND1 no hydrogen 2.829 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.637 N/A GLN 220.A N LEU 216.A O no hydrogen 2.868 N/A GLN 220.A NE2 PHE 212.A O no hydrogen 3.490 N/A LEU 221.A N GLU 217.A O no hydrogen 2.973 N/A GLU 222.A N LEU 218.A O no hydrogen 3.064 N/A LEU 223.A N ALA 219.A O no hydrogen 3.105 N/A ILE 224.A N GLN 220.A O no hydrogen 2.999 N/A SER 225.A N LEU 221.A O no hydrogen 2.768 N/A SER 225.A OG LEU 221.A O no hydrogen 2.963 N/A ARG 226.A N GLU 222.A O no hydrogen 2.905 N/A ARG 226.A NE GLU 222.A OE2 no hydrogen 3.092 N/A LEU 227.A N ILE 224.A O no hydrogen 3.074 N/A CYS 228.A N ILE 224.A O no hydrogen 2.836 N/A CYS 228.A SG LEU 277.A O no hydrogen 3.816 N/A GLY 229.A N SER 225.A O no hydrogen 2.741 N/A SER 230.A N TYR 254.A O no hydrogen 3.232 N/A SER 230.A OG LYS 252.A O no hydrogen 3.187 N/A CYS 232.A SG SER 230.A O no hydrogen 3.845 N/A TRP 236.A N CYS 232.A O no hydrogen 2.718 N/A VAL 239.A N TRP 236.A O no hydrogen 2.989 N/A LEU 242.A N VAL 239.A O no hydrogen 3.015 N/A TYR 244.A N LEU 184.A O no hydrogen 3.185 N/A PHE 245.A N LEU 242.A O no hydrogen 3.236 N/A MET 248.A N TYR 244.A O no hydrogen 2.677 N/A LYS 249.A NZ ASN 246.A OD1 no hydrogen 3.181 N/A LYS 251.A N GLU 222.A OE1 no hydrogen 2.635 N/A TYR 254.A N SER 230.A OG no hydrogen 3.199 N/A TYR 254.A OH GLU 222.A OE2 no hydrogen 2.331 N/A ARG 256.A NE ASP 274.A OD1 no hydrogen 3.034 N/A ARG 256.A NH1 CYS 228.A O no hydrogen 3.211 N/A ARG 256.A NH1 LEU 277.A O no hydrogen 3.140 N/A ARG 256.A NH2 ASP 274.A OD1 no hydrogen 2.732 N/A ARG 256.A NH2 LEU 277.A O no hydrogen 3.166 N/A ARG 257.A N LEU 227.A O no hydrogen 3.117 N/A ARG 257.A NE ARG 226.A O no hydrogen 3.283 N/A ARG 257.A NH1 GLU 260.A OE2 no hydrogen 3.452 N/A ARG 259.A NH1 ASP 271.A OD1 no hydrogen 3.307 N/A ARG 259.A NH2 ASP 271.A OD1 no hydrogen 2.557 N/A ARG 259.A NH2 ASP 274.A OD2 no hydrogen 3.508 N/A GLU 261.A N ARG 257.A O no hydrogen 3.013 N/A PHE 262.A N LEU 258.A O no hydrogen 3.058 N/A SER 263.A N GLU 260.A O no hydrogen 3.139 N/A SER 263.A OG GLU 260.A O no hydrogen 2.763 N/A ILE 265.A N PHE 262.A O no hydrogen 3.235 N/A LEU 270.A N PRO 266.A O no hydrogen 2.970 N/A ASP 271.A N SER 267.A O no hydrogen 2.977 N/A LEU 272.A N ALA 268.A O no hydrogen 3.344 N/A LEU 273.A N ALA 269.A O no hydrogen 2.807 N/A ASP 274.A N LEU 270.A O no hydrogen 2.838 N/A HIS 275.A N ASP 271.A O no hydrogen 3.020 N/A MET 276.A N LEU 272.A O no hydrogen 2.988 N/A LEU 277.A N LEU 273.A O no hydrogen 3.024 N/A THR 278.A OG1 ASP 274.A O no hydrogen 3.293 N/A THR 278.A OG1 HIS 275.A O no hydrogen 3.157 N/A SER 282.A N ASP 280.A OD1 no hydrogen 2.895 N/A SER 282.A OG ASP 280.A OD1 no hydrogen 2.599 N/A LYS 283.A N ASP 280.A O no hydrogen 2.665 N/A LYS 283.A NZ VAL 235.A O no hydrogen 2.705 N/A ARG 284.A N PRO 281.A O no hydrogen 3.246 N/A ARG 284.A NE THR 278.A O no hydrogen 2.939 N/A ARG 284.A NH1 GLU 181.A OE2 no hydrogen 2.852 N/A ARG 284.A NH1 ALA 192.A O no hydrogen 2.998 N/A ARG 284.A NH2 GLU 181.A OE1 no hydrogen 3.003 N/A ARG 284.A NH2 THR 278.A O no hydrogen 3.346 N/A THR 286.A N GLN 289.A OE1 no hydrogen 2.846 N/A GLN 289.A N THR 286.A OG1 no hydrogen 3.221 N/A THR 290.A N THR 286.A O no hydrogen 3.194 N/A THR 290.A OG1 ALA 287.A O no hydrogen 2.589 N/A GLN 292.A N GLN 289.A O no hydrogen 3.168 N/A SER 293.A N THR 290.A O no hydrogen 3.068 N/A SER 293.A OG THR 290.A O no hydrogen 2.747 N/A LEU 296.A N SER 293.A O no hydrogen 3.217 N/A LEU 296.A N SER 293.A OG no hydrogen 3.339 N/A LYS 297.A N SER 293.A O no hydrogen 2.777 N/A VAL 299.A N LEU 296.A O no hydrogen 3.029 N/A LYS 303.A N GLU 300.A O no hydrogen 3.189 N/A MET 304.A N LEU 301.A O no hydrogen 2.938 N/A GLN 313.A NE2 ASP 314.A O no hydrogen 3.522 N/A CYS 315.A N HIS 95.A ND1 no hydrogen 2.896 N/A CYS 315.A SG GLN 313.A O no hydrogen 3.877 N/A HIS 316.A N ASP 314.A O no hydrogen 3.167 N/A HIS 316.A NE2 MET 93.A O no hydrogen 2.833 N/A GLU 317.A N ASP 96.A OD1 no hydrogen 3.039 N/A SER 320.A N HIS 316.A O no hydrogen 3.118 N/A SER 320.A OG GLY 99.A O no hydrogen 3.147 N/A LYS 321.A N GLU 317.A O no hydrogen 3.266 N/A LYS 322.A N LEU 318.A O no hydrogen 3.040 N/A