Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qsm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N THR 2.A O no hydrogen 3.025 N/A LEU 7.A N LEU 3.A O no hydrogen 2.889 N/A ILE 8.A N LYS 4.A O no hydrogen 2.959 N/A ASN 10.A ND2 LEU 12.A O no hydrogen 3.084 N/A GLN 16.A NE2 GLU 14.A O no hydrogen 2.810 N/A GLN 19.A N ASP 45.A OD2 no hydrogen 3.019 N/A ASN 20.A N ASP 45.A OD1 no hydrogen 2.930 N/A ASN 20.A N ASP 45.A OD2 no hydrogen 3.123 N/A LYS 21.A NZ GLU 46.A OE2 no hydrogen 3.047 N/A LYS 21.A NZ VAL 84.A O no hydrogen 2.878 N/A LYS 21.A NZ ALA 86.A O no hydrogen 2.702 N/A ILE 22.A N GLU 46.A O no hydrogen 2.993 N/A THR 23.A N LEU 90.A O no hydrogen 2.938 N/A THR 23.A OG1 SER 88.A OG no hydrogen 2.750 N/A VAL 24.A N ALA 48.A O no hydrogen 2.743 N/A VAL 25.A N ILE 92.A O no hydrogen 2.738 N/A GLY 26.A N VAL 50.A O no hydrogen 2.702 N/A VAL 27.A N ASP 51.A OD2 no hydrogen 2.891 N/A MET 32.A N GLY 28.A O no hydrogen 2.964 N/A ALA 33.A N ALA 29.A O no hydrogen 2.948 N/A CYS 34.A N VAL 30.A O no hydrogen 2.899 N/A CYS 34.A SG VAL 30.A O no hydrogen 3.186 N/A ALA 35.A N GLY 31.A O no hydrogen 2.782 N/A ILE 36.A N MET 32.A O no hydrogen 2.700 N/A SER 37.A N ALA 33.A O no hydrogen 3.069 N/A SER 37.A OG ALA 33.A O no hydrogen 3.157 N/A ILE 38.A N CYS 34.A O no hydrogen 2.976 N/A LEU 39.A N ALA 35.A O no hydrogen 2.959 N/A MET 40.A N ILE 36.A O no hydrogen 3.097 N/A LYS 41.A N ILE 38.A O no hydrogen 3.117 N/A LYS 41.A NZ GLU 260.A OE1 no hydrogen 3.326 N/A ASP 42.A N LEU 39.A O no hydrogen 3.420 N/A ASP 45.A N ASN 20.A O no hydrogen 2.977 N/A LEU 47.A N LYS 75.A O no hydrogen 2.935 N/A ALA 48.A N ILE 22.A O no hydrogen 3.007 N/A LEU 49.A N VAL 77.A O no hydrogen 2.854 N/A VAL 50.A N VAL 24.A O no hydrogen 3.127 N/A VAL 52.A N ASP 51.A OD1 no hydrogen 2.753 N/A ILE 53.A N ASP 51.A OD1 no hydrogen 3.492 N/A LYS 56.A NZ GLU 60.A OE2 no hydrogen 3.381 N/A LEU 57.A N ILE 53.A O no hydrogen 3.289 N/A LYS 58.A N GLU 54.A O no hydrogen 3.075 N/A GLY 59.A N ASP 55.A O no hydrogen 2.918 N/A GLU 60.A N LYS 56.A O no hydrogen 2.995 N/A MET 61.A N LEU 57.A O no hydrogen 3.165 N/A MET 62.A N LYS 58.A O no hydrogen 2.926 N/A ASP 63.A N GLY 59.A O no hydrogen 3.028 N/A LEU 64.A N GLU 60.A O no hydrogen 2.871 N/A GLN 65.A N MET 61.A O no hydrogen 2.991 N/A GLN 65.A NE2 ILE 76.A O no hydrogen 2.811 N/A HIS 66.A N MET 62.A O no hydrogen 2.957 N/A HIS 66.A N ASP 63.A O no hydrogen 3.207 N/A GLY 67.A N LEU 64.A O no hydrogen 2.928 N/A SER 68.A N GLN 65.A O no hydrogen 2.907 N/A SER 68.A OG GLN 65.A O no hydrogen 2.766 N/A PHE 70.A N GLY 67.A O no hydrogen 2.847 N/A LEU 71.A N SER 68.A O no hydrogen 3.066 N/A THR 73.A OG1 ALA 44.A O no hydrogen 2.967 N/A LYS 75.A N ASP 45.A O no hydrogen 3.433 N/A VAL 77.A N LEU 47.A O no hydrogen 2.722 N/A GLY 79.A N LEU 49.A O no hydrogen 3.299 N/A LYS 80.A NZ VAL 52.A O no hydrogen 3.544 N/A ASN 83.A N ASP 81.A OD1 no hydrogen 3.094 N/A ASN 83.A ND2 ASP 81.A O no hydrogen 3.478 N/A VAL 84.A N ASP 81.A O no hydrogen 3.140 N/A THR 85.A N TYR 82.A O no hydrogen 2.852 N/A THR 85.A OG1 TYR 82.A O no hydrogen 2.392 N/A ASN 87.A N TYR 126.A O no hydrogen 3.023 N/A SER 88.A N SER 127.A OG no hydrogen 2.856 N/A SER 88.A OG THR 23.A OG1 no hydrogen 2.750 N/A SER 88.A OG THR 85.A O no hydrogen 2.450 N/A LYS 89.A N LYS 21.A O no hydrogen 2.610 N/A VAL 91.A N LYS 131.A O no hydrogen 2.970 N/A ILE 92.A N THR 23.A O no hydrogen 2.831 N/A ILE 93.A N LEU 133.A O no hydrogen 2.876 N/A THR 94.A N VAL 25.A O no hydrogen 2.744 N/A THR 94.A OG1 VAL 25.A O no hydrogen 2.572 N/A THR 94.A OG1 GLY 26.A O no hydrogen 2.917 N/A GLU 103.A N GLN 100.A O no hydrogen 3.266 N/A ASN 107.A N SER 104.A OG no hydrogen 3.359 N/A LEU 108.A N SER 104.A O no hydrogen 3.275 N/A VAL 109.A N ARG 105.A O no hydrogen 3.233 N/A GLN 110.A N LEU 106.A O no hydrogen 2.843 N/A ARG 111.A N ASN 107.A O no hydrogen 2.981 N/A ARG 111.A NE GLU 103.A OE1 no hydrogen 2.715 N/A ARG 111.A NH1 ARG 98.A O no hydrogen 3.457 N/A ARG 111.A NH2 ARG 98.A O no hydrogen 2.851 N/A ARG 111.A NH2 GLU 103.A OE2 no hydrogen 2.854 N/A ASN 112.A N LEU 108.A O no hydrogen 3.049 N/A VAL 113.A N VAL 109.A O no hydrogen 2.791 N/A ASN 114.A N GLN 110.A O no hydrogen 2.778 N/A ILE 115.A N ARG 111.A O no hydrogen 3.187 N/A ILE 115.A N ASN 112.A O no hydrogen 3.146 N/A PHE 116.A N ASN 112.A O no hydrogen 2.960 N/A LYS 117.A N VAL 113.A O no hydrogen 2.824 N/A LYS 117.A NZ PHE 331.A O no hydrogen 3.126 N/A PHE 118.A N ILE 115.A O no hydrogen 2.768 N/A ILE 119.A N ILE 115.A O no hydrogen 2.908 N/A ILE 120.A N PHE 116.A O no hydrogen 2.803 N/A VAL 123.A N ILE 119.A O no hydrogen 2.911 N/A VAL 124.A N ILE 120.A O no hydrogen 3.012 N/A LYS 125.A N PRO 121.A O no hydrogen 2.808 N/A TYR 126.A N ASN 122.A O no hydrogen 3.337 N/A SER 127.A OG THR 85.A O no hydrogen 2.830 N/A SER 127.A OG TYR 126.A O no hydrogen 2.837 N/A CYS 130.A N SER 127.A O no hydrogen 3.040 N/A CYS 130.A SG SER 127.A O no hydrogen 3.261 N/A CYS 130.A SG LYS 131.A O no hydrogen 3.747 N/A LYS 131.A N LYS 89.A O no hydrogen 2.914 N/A LYS 131.A NZ GLN 296.A O no hydrogen 2.742 N/A LEU 132.A N ARG 156.A O no hydrogen 2.810 N/A LEU 133.A N VAL 91.A O no hydrogen 2.996 N/A ILE 134.A N ILE 158.A O no hydrogen 2.825 N/A VAL 135.A N ILE 93.A O no hydrogen 2.951 N/A SER 136.A OG ILE 93.A O no hydrogen 3.408 N/A SER 136.A OG ALA 95.A O no hydrogen 2.590 N/A VAL 139.A N ASN 137.A OD1 no hydrogen 2.977 N/A LEU 142.A N PRO 138.A O no hydrogen 2.892 N/A THR 143.A N VAL 139.A O no hydrogen 2.924 N/A THR 143.A OG1 VAL 139.A O no hydrogen 2.636 N/A TYR 144.A N ASP 140.A O no hydrogen 3.305 N/A VAL 145.A N ILE 141.A O no hydrogen 2.997 N/A ALA 146.A N LEU 142.A O no hydrogen 3.244 N/A TRP 147.A N THR 143.A O no hydrogen 2.825 N/A LYS 148.A N TYR 144.A O no hydrogen 2.855 N/A ILE 149.A N VAL 145.A O no hydrogen 2.975 N/A SER 150.A N ALA 146.A O no hydrogen 2.872 N/A SER 150.A OG ALA 146.A O no hydrogen 2.849 N/A SER 150.A OG TRP 147.A O no hydrogen 3.135 N/A GLY 151.A N TRP 147.A O no hydrogen 3.297 N/A PHE 152.A N SER 150.A OG no hydrogen 2.939 N/A ASN 155.A ND2 ASN 297.A O no hydrogen 2.835 N/A ARG 156.A N PRO 153.A O no hydrogen 3.068 N/A ARG 156.A NH1 PRO 128.A O no hydrogen 3.284 N/A ARG 156.A NH1 CYS 130.A O no hydrogen 2.709 N/A VAL 157.A N LYS 154.A O no hydrogen 3.352 N/A ILE 158.A N LEU 132.A O no hydrogen 2.943 N/A GLY 159.A N SER 273.A O no hydrogen 3.014 N/A SER 160.A N ILE 134.A O no hydrogen 2.856 N/A SER 160.A OG ILE 134.A O no hydrogen 2.952 N/A CYS 162.A N SER 289.A OG no hydrogen 2.884 N/A CYS 162.A SG ASP 165.A OD2 no hydrogen 3.549 N/A CYS 162.A SG GLY 190.A O no hydrogen 3.578 N/A CYS 162.A SG SER 289.A OG no hydrogen 3.421 N/A ASN 163.A N SER 160.A O no hydrogen 2.968 N/A ASN 163.A ND2 SER 254.A O.A no hydrogen 3.132 N/A ASN 163.A ND2 SER 254.A O.B no hydrogen 3.469 N/A ASN 163.A ND2 SER 254.A OG.B no hydrogen 2.700 N/A SER 166.A N CYS 162.A O no hydrogen 3.144 N/A SER 166.A OG CYS 162.A O no hydrogen 2.949 N/A ALA 167.A N ASN 163.A O no hydrogen 3.146 N/A ARG 168.A N LEU 164.A O no hydrogen 2.777 N/A PHE 169.A N ASP 165.A O no hydrogen 2.908 N/A ARG 170.A N SER 166.A O no hydrogen 2.866 N/A ARG 170.A NH1 CYS 184.A O no hydrogen 2.991 N/A TYR 171.A N ALA 167.A O no hydrogen 2.917 N/A LEU 172.A N ARG 168.A O no hydrogen 2.885 N/A MET 173.A N PHE 169.A O no hydrogen 3.006 N/A GLY 174.A N ARG 170.A O no hydrogen 2.860 N/A GLU 175.A N TYR 171.A O no hydrogen 3.020 N/A ARG 176.A N LEU 172.A O no hydrogen 3.200 N/A ARG 176.A NH1 GLU 224.A O no hydrogen 2.913 N/A ARG 176.A NH2 GLN 225.A O no hydrogen 3.406 N/A LEU 177.A N MET 173.A O no hydrogen 3.006 N/A GLY 178.A N GLY 174.A O no hydrogen 2.863 N/A VAL 179.A N GLY 174.A O no hydrogen 3.234 N/A LEU 182.A N HIS 180.A ND1 no hydrogen 3.226 N/A SER 183.A N HIS 180.A O no hydrogen 2.768 N/A CYS 184.A SG VAL 179.A O no hydrogen 3.709 N/A CYS 184.A SG HIS 180.A O no hydrogen 3.537 N/A HIS 185.A N ASN 204.A O no hydrogen 2.898 N/A VAL 188.A N SER 166.A OG no hydrogen 3.157 N/A LEU 189.A N VAL 197.A O no hydrogen 3.068 N/A GLY 190.A N SER 289.A O no hydrogen 2.849 N/A HIS 192.A N ASP 140.A OD2 no hydrogen 3.150 N/A SER 195.A OG GLU 191.A OE1 no hydrogen 3.155 N/A SER 196.A N GLY 193.A O no hydrogen 2.941 N/A SER 196.A OG GLY 193.A O no hydrogen 2.846 N/A VAL 197.A N LEU 189.A O no hydrogen 2.693 N/A VAL 199.A N TRP 187.A O no hydrogen 3.001 N/A GLY 202.A N VAL 199.A O no hydrogen 3.065 N/A MET 203.A N TRP 200.A O no hydrogen 3.019 N/A ASN 204.A N HIS 185.A O no hydrogen 2.919 N/A VAL 205.A N VAL 208.A O no hydrogen 3.383 N/A VAL 208.A N VAL 205.A O no hydrogen 2.931 N/A SER 209.A OG THR 212.A OG1 no hydrogen 3.343 N/A LEU 210.A N MET 203.A O no hydrogen 2.988 N/A LYS 211.A NZ PRO 215.A O no hydrogen 2.861 N/A LYS 211.A NZ LEU 217.A O no hydrogen 3.155 N/A THR 212.A N SER 209.A OG no hydrogen 3.114 N/A THR 212.A OG1 SER 209.A OG no hydrogen 3.343 N/A LEU 213.A N SER 209.A O no hydrogen 3.186 N/A HIS 214.A N LEU 210.A O no hydrogen 2.733 N/A HIS 214.A NE2 ASP 222.A OD1 no hydrogen 3.053 N/A LEU 217.A N HIS 214.A O no hydrogen 2.608 N/A GLY 218.A N ASP 222.A OD2 no hydrogen 3.438 N/A THR 219.A N ASP 216.A O no hydrogen 3.182 N/A THR 219.A OG1 ASP 216.A O no hydrogen 3.157 N/A ASP 222.A N THR 219.A O no hydrogen 3.380 N/A GLU 224.A N ASP 222.A OD1 no hydrogen 2.664 N/A GLN 225.A N ASP 222.A O no hydrogen 2.962 N/A GLN 225.A NE2 ASP 220.A O no hydrogen 3.659 N/A GLN 225.A NE2 ASP 222.A O no hydrogen 3.239 N/A TRP 226.A N ASP 222.A OD2 no hydrogen 3.050 N/A TRP 226.A NE1 GLU 224.A OE2 no hydrogen 3.349 N/A LYS 227.A NZ ASP 220.A OD2 no hydrogen 2.805 N/A GLU 228.A N GLN 225.A O no hydrogen 2.972 N/A VAL 229.A N TRP 226.A O no hydrogen 2.845 N/A LYS 231.A N.A LYS 227.A O no hydrogen 3.405 N/A LYS 231.A N.B LYS 227.A O no hydrogen 3.385 N/A GLN 232.A N GLU 228.A O no hydrogen 2.782 N/A VAL 233.A N VAL 229.A O no hydrogen 2.977 N/A VAL 234.A N HIS 230.A O no hydrogen 2.822 N/A GLU 235.A N LYS 231.A O.A no hydrogen 3.061 N/A GLU 235.A N LYS 231.A O.B no hydrogen 2.994 N/A SER 236.A N VAL 233.A O no hydrogen 3.508 N/A SER 236.A OG GLN 232.A O no hydrogen 2.451 N/A SER 236.A OG VAL 233.A O no hydrogen 3.061 N/A GLU 239.A N GLU 235.A O no hydrogen 3.147 N/A VAL 240.A N SER 236.A O no hydrogen 2.766 N/A ILE 241.A N ALA 237.A O no hydrogen 2.899 N/A LYS 242.A N TYR 238.A O no hydrogen 2.837 N/A LEU 243.A N GLU 239.A O no hydrogen 3.150 N/A LYS 244.A N VAL 240.A O no hydrogen 2.707 N/A LYS 244.A NZ SER 248.A OG no hydrogen 3.416 N/A GLY 245.A N ILE 241.A O no hydrogen 2.661 N/A GLY 252.A N SER 248.A O no hydrogen 2.939 N/A LEU 253.A N TRP 249.A O no hydrogen 3.001 N/A SER 254.A N.A ALA 250.A O no hydrogen 3.022 N/A SER 254.A N.B ALA 250.A O no hydrogen 3.007 N/A SER 254.A OG.A ALA 250.A O no hydrogen 3.118 N/A SER 254.A OG.A ILE 251.A O no hydrogen 2.568 N/A VAL 255.A N ILE 251.A O no hydrogen 2.810 N/A ALA 256.A N GLY 252.A O no hydrogen 2.876 N/A ASP 257.A N LEU 253.A O no hydrogen 3.095 N/A ASP 257.A N SER 254.A O.B no hydrogen 3.098 N/A LEU 258.A N SER 254.A O.A no hydrogen 3.354 N/A LEU 258.A N SER 254.A O.B no hydrogen 3.213 N/A ALA 259.A N VAL 255.A O no hydrogen 3.031 N/A GLU 260.A N ALA 256.A O no hydrogen 2.949 N/A SER 261.A N ASP 257.A O no hydrogen 3.249 N/A SER 261.A OG HIS 270.A NE2 no hydrogen 2.719 N/A ILE 262.A N LEU 258.A O no hydrogen 3.074 N/A MET 263.A N ALA 259.A O no hydrogen 2.645 N/A LYS 264.A N GLU 260.A O no hydrogen 2.947 N/A ASN 265.A N ILE 262.A O no hydrogen 3.255 N/A LEU 266.A N SER 261.A O no hydrogen 3.112 N/A ARG 267.A N LEU 294.A O no hydrogen 2.866 N/A ARG 267.A NH2 ASP 301.A OD1 no hydrogen 2.962 N/A ARG 268.A NE SER 261.A OG no hydrogen 2.945 N/A ARG 268.A NH1 ASP 257.A OD2 no hydrogen 3.229 N/A ARG 268.A NH1 GLU 260.A OE1 no hydrogen 3.497 N/A ARG 268.A NH1 SER 261.A OG no hydrogen 2.731 N/A ARG 268.A NH2 ASP 257.A OD2 no hydrogen 3.468 N/A HIS 270.A N CYS 292.A O no hydrogen 2.841 N/A HIS 270.A NE2 SER 261.A OG no hydrogen 2.719 N/A SER 273.A N GLY 159.A O no hydrogen 2.816 N/A SER 273.A OG ASP 140.A OD1 no hydrogen 2.822 N/A THR 274.A N LEU 288.A O no hydrogen 2.992 N/A ILE 276.A N VAL 286.A O no hydrogen 3.147 N/A GLY 278.A N ILE 282.A O no hydrogen 2.648 N/A LEU 279.A N ILE 276.A O no hydrogen 3.127 N/A TYR 280.A OH VAL 305.A O no hydrogen 3.115 N/A LEU 288.A N THR 274.A O no hydrogen 2.960 N/A SER 289.A N GLY 190.A O no hydrogen 2.832 N/A SER 289.A OG GLY 190.A O no hydrogen 3.091 N/A CYS 292.A N HIS 270.A O no hydrogen 2.873 N/A CYS 292.A SG VAL 272.A O no hydrogen 4.043 N/A CYS 292.A SG VAL 290.A O no hydrogen 3.303 N/A ILE 293.A N.A ASP 301.A O no hydrogen 2.984 N/A ILE 293.A N.B ASP 301.A O no hydrogen 2.991 N/A LEU 294.A N ARG 268.A O no hydrogen 3.176 N/A GLY 295.A N GLY 298.A O no hydrogen 2.954 N/A GLN 296.A N ASN 265.A OD1 no hydrogen 3.235 N/A GLY 298.A N GLY 295.A O no hydrogen 3.069 N/A ILE 299.A N ASN 155.A O no hydrogen 2.877 N/A SER 300.A N ILE 293.A O.A no hydrogen 3.205 N/A SER 300.A N ILE 293.A O.B no hydrogen 3.207 N/A SER 300.A OG ILE 293.A O.A no hydrogen 3.479 N/A SER 300.A OG ILE 293.A O.B no hydrogen 3.447 N/A SER 300.A OG ASP 301.A OD1 no hydrogen 2.760 N/A VAL 303.A N PRO 291.A O no hydrogen 2.768 N/A THR 308.A N GLU 311.A OE2 no hydrogen 2.906 N/A GLU 312.A N THR 308.A O no hydrogen 2.821 N/A ALA 313.A N SER 309.A O no hydrogen 2.714 N/A ARG 314.A N GLU 310.A O no hydrogen 3.142 N/A LEU 315.A N GLU 311.A O no hydrogen 3.368 N/A LYS 316.A N GLU 312.A O no hydrogen 3.077 N/A LYS 316.A NZ ASP 320.A OD2 no hydrogen 3.322 N/A LYS 317.A N ALA 313.A O no hydrogen 2.810 N/A SER 318.A N ARG 314.A O no hydrogen 2.872 N/A ALA 319.A N LEU 315.A O no hydrogen 2.954 N/A ASP 320.A N LYS 316.A O no hydrogen 3.228 N/A ASP 320.A N LYS 317.A O no hydrogen 3.102 N/A THR 321.A N LYS 317.A O no hydrogen 3.029 N/A THR 321.A OG1 LYS 317.A O no hydrogen 3.100 N/A LEU 322.A N SER 318.A O no hydrogen 2.798 N/A TRP 323.A N ALA 319.A O no hydrogen 3.286 N/A GLY 324.A N ASP 320.A O no hydrogen 3.007 N/A ILE 325.A N THR 321.A O no hydrogen 3.237 N/A ILE 325.A N LEU 322.A O no hydrogen 3.063 N/A GLN 326.A N LEU 322.A O no hydrogen 2.772 N/A GLN 326.A NE2 ASP 285.A O no hydrogen 3.115 N/A LYS 327.A N TRP 323.A O no hydrogen 2.681 N/A GLU 328.A N ILE 325.A O no hydrogen 3.304 N/A LEU 329.A N GLN 326.A O no hydrogen 3.055 N/A