Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 21.A N LEU 18.A O no hydrogen 2.676 N/A LEU 27.A N HIS 24.A O no hydrogen 3.242 N/A ARG 28.A N PRO 25.A O no hydrogen 3.334 N/A GLN 29.A N LEU 26.A O no hydrogen 3.046 N/A TRP 30.A N LEU 26.A O no hydrogen 3.069 N/A GLN 31.A NE2 GLY 21.A O no hydrogen 3.071 N/A SER 32.A OG GLN 29.A O no hydrogen 2.692 N/A GLN 35.A NE2 GLN 29.A O no hydrogen 3.634 N/A LYS 38.A NZ LYS 81.A O no hydrogen 3.397 N/A LYS 38.A NZ ASP 325.A OD1 no hydrogen 3.097 N/A LEU 41.A N LYS 38.A O no hydrogen 3.246 N/A ILE 42.A N ILE 312.A O no hydrogen 2.731 N/A PHE 43.A N SER 85.A O no hydrogen 3.115 N/A LEU 45.A N ILE 87.A O no hydrogen 2.737 N/A SER 48.A N ILE 66.A O no hydrogen 2.599 N/A SER 48.A OG ASP 53.A OD2 no hydrogen 3.327 N/A ASP 52.A N ASN 50.A OD1 no hydrogen 2.678 N/A ASP 53.A N ASN 50.A O no hydrogen 2.571 N/A PHE 54.A N ASP 53.A OD1 no hydrogen 2.694 N/A THR 55.A N ARG 65.A O no hydrogen 3.004 N/A THR 55.A OG1 ASP 53.A OD1 no hydrogen 2.663 N/A THR 55.A OG1 ASP 53.A OD2 no hydrogen 3.531 N/A ILE 57.A N ILE 63.A O no hydrogen 3.073 N/A ARG 65.A N THR 55.A O no hydrogen 2.666 N/A ARG 65.A NH1 ASP 53.A OD2 no hydrogen 3.086 N/A ASN 69.A N PRO 51.A O no hydrogen 3.055 N/A ASN 69.A ND2 PRO 51.A O no hydrogen 2.664 N/A ARG 70.A N GLY 67.A O no hydrogen 3.129 N/A ARG 70.A NE ASP 52.A O no hydrogen 3.531 N/A LEU 71.A N GLY 67.A O no hydrogen 3.424 N/A ASP 73.A N ARG 70.A O no hydrogen 2.848 N/A TYR 74.A N ARG 70.A O no hydrogen 3.246 N/A LEU 75.A N LEU 71.A O no hydrogen 3.131 N/A VAL 79.A N LEU 75.A O no hydrogen 3.083 N/A ALA 80.A N LYS 76.A O no hydrogen 3.109 N/A LYS 81.A N LEU 78.A O no hydrogen 2.753 N/A LYS 81.A NZ ASP 322.A OD1 no hydrogen 2.886 N/A GLY 82.A N VAL 79.A O no hydrogen 2.654 N/A LEU 83.A N LEU 78.A O no hydrogen 3.336 N/A SER 85.A OG TYR 127.A O no hydrogen 2.939 N/A VAL 86.A N TYR 127.A O no hydrogen 3.111 N/A ILE 87.A N PHE 43.A O no hydrogen 2.829 N/A LEU 88.A N ILE 129.A O no hydrogen 2.988 N/A PHE 89.A N LEU 45.A O no hydrogen 2.623 N/A VAL 91.A N ILE 47.A O no hydrogen 2.653 N/A LEU 93.A N ASP 49.A OD1 no hydrogen 2.689 N/A LEU 93.A N ASP 49.A OD2 no hydrogen 2.694 N/A ILE 94.A N ASP 49.A OD2 no hydrogen 3.077 N/A VAL 101.A N ASP 99.A OD1 no hydrogen 2.641 N/A GLY 102.A N ASP 99.A O no hydrogen 3.345 N/A THR 103.A N ASP 99.A OD2 no hydrogen 3.427 N/A THR 103.A OG1 ASP 99.A OD1 no hydrogen 2.871 N/A THR 103.A OG1 ASP 99.A OD2 no hydrogen 2.757 N/A ALA 109.A N ASP 107.A OD1 no hydrogen 2.595 N/A GLY 110.A N ASP 107.A O no hydrogen 2.849 N/A GLN 114.A N GLY 110.A O no hydrogen 2.731 N/A GLN 114.A NE2 PRO 108.A O no hydrogen 2.608 N/A GLY 115.A N VAL 112.A O no hydrogen 3.097 N/A ILE 116.A N VAL 112.A O no hydrogen 2.822 N/A PHE 118.A N GLY 115.A O no hydrogen 2.957 N/A ILE 119.A N GLY 115.A O no hydrogen 3.145 N/A TYR 122.A N PHE 118.A O no hydrogen 2.915 N/A PHE 123.A N ILE 119.A O no hydrogen 2.653 N/A LEU 126.A N PHE 123.A O no hydrogen 3.290 N/A ILE 128.A N HIS 174.A ND1 no hydrogen 3.125 N/A ILE 129.A N VAL 86.A O no hydrogen 2.854 N/A CYS 130.A N CYS 175.A O no hydrogen 2.682 N/A CYS 130.A SG CYS 175.A O no hydrogen 3.827 N/A ASP 131.A N LEU 88.A O no hydrogen 3.116 N/A VAL 132.A N ALA 177.A O no hydrogen 3.061 N/A CYS 135.A SG GLU 136.A OE2 no hydrogen 3.023 N/A THR 138.A N CYS 135.A O no hydrogen 3.428 N/A THR 138.A OG1 LEU 134.A O no hydrogen 3.006 N/A THR 138.A OG1 CYS 135.A O no hydrogen 2.961 N/A THR 138.A OG1 HIS 142.A O no hydrogen 3.018 N/A SER 139.A N ASP 99.A O no hydrogen 3.306 N/A HIS 140.A NE2 GLY 144.A O no hydrogen 3.154 N/A GLY 144.A N HIS 142.A O no hydrogen 3.133 N/A VAL 145.A N SER 157.A OG no hydrogen 2.675 N/A ASN 153.A N VAL 145.A O no hydrogen 2.818 N/A ARG 156.A N ASN 153.A OD1 no hydrogen 2.981 N/A SER 157.A N ASN 153.A O no hydrogen 2.977 N/A SER 157.A OG VAL 145.A O no hydrogen 2.958 N/A SER 157.A OG ASN 153.A O no hydrogen 2.666 N/A SER 157.A OG ARG 154.A O no hydrogen 3.422 N/A VAL 158.A N ARG 154.A O no hydrogen 2.723 N/A SER 159.A N GLU 155.A O no hydrogen 2.965 N/A ARG 160.A N ARG 156.A O no hydrogen 2.707 N/A ARG 160.A NE VAL 101.A O no hydrogen 2.838 N/A ARG 160.A NE GLY 102.A O no hydrogen 3.154 N/A ARG 160.A NH1 ASP 106.A OD2 no hydrogen 2.672 N/A ARG 160.A NH2 GLY 102.A O no hydrogen 2.699 N/A ARG 160.A NH2 ASP 106.A OD1 no hydrogen 3.160 N/A ARG 160.A NH2 ASP 106.A OD2 no hydrogen 2.930 N/A LEU 161.A N SER 157.A O no hydrogen 2.650 N/A ALA 162.A N VAL 158.A O no hydrogen 2.837 N/A ALA 163.A N ARG 160.A O no hydrogen 3.211 N/A VAL 164.A N ARG 160.A O no hydrogen 3.394 N/A ALA 165.A N LEU 161.A O no hydrogen 2.997 N/A VAL 166.A N ALA 162.A O no hydrogen 3.262 N/A ASN 167.A N ALA 163.A O no hydrogen 3.141 N/A TYR 168.A N VAL 164.A O no hydrogen 2.907 N/A ALA 169.A N ALA 165.A O no hydrogen 3.450 N/A LYS 170.A N ASN 167.A O no hydrogen 3.027 N/A ALA 171.A N ASN 167.A O no hydrogen 2.845 N/A ALA 173.A N TYR 168.A O no hydrogen 3.190 N/A CYS 175.A N ILE 128.A O no hydrogen 2.669 N/A CYS 175.A SG PHE 203.A O no hydrogen 2.897 N/A VAL 176.A N PHE 203.A O no hydrogen 3.380 N/A ALA 177.A N CYS 130.A O no hydrogen 3.016 N/A SER 179.A N VAL 132.A O no hydrogen 3.088 N/A SER 179.A OG ASP 131.A OD1 no hydrogen 2.692 N/A SER 179.A OG ASP 131.A OD2 no hydrogen 3.164 N/A ILE 182.A N ASP 180.A OD2 no hydrogen 2.693 N/A ARG 185.A N ILE 182.A O no hydrogen 3.090 N/A ARG 185.A NE ASP 180.A OD1 no hydrogen 3.086 N/A ARG 187.A N GLU 241.A OE1 no hydrogen 3.279 N/A ARG 187.A NH2 ASP 188.A OD1 no hydrogen 3.439 N/A ILE 189.A N ARG 185.A O no hydrogen 3.179 N/A LYS 190.A N ILE 186.A O no hydrogen 2.969 N/A LYS 190.A NZ ASP 244.A OD1 no hydrogen 2.680 N/A ARG 191.A N ARG 187.A O no hydrogen 3.038 N/A GLY 192.A N ASP 188.A O no hydrogen 2.852 N/A LEU 193.A N ILE 189.A O no hydrogen 3.235 N/A ILE 194.A N LYS 190.A O no hydrogen 3.006 N/A ASN 195.A N ARG 191.A O no hydrogen 2.935 N/A ALA 196.A N GLY 192.A O no hydrogen 2.868 N/A ASN 197.A N ILE 194.A O no hydrogen 2.674 N/A ASN 197.A ND2 ASN 197.A O no hydrogen 2.582 N/A LEU 198.A N LEU 193.A O no hydrogen 2.568 N/A LYS 201.A N LEU 198.A O no hydrogen 2.943 N/A LYS 201.A NZ HIS 200.A NE2 no hydrogen 2.738 N/A THR 202.A N LEU 198.A O no hydrogen 3.220 N/A PHE 203.A N HIS 174.A O no hydrogen 3.250 N/A LEU 205.A N VAL 176.A O no hydrogen 3.081 N/A SER 206.A OG ASP 238.A OD2 no hydrogen 2.788 N/A ALA 209.A N ILE 247.A O no hydrogen 3.028 N/A PHE 211.A N LYS 249.A O no hydrogen 2.980 N/A SER 212.A OG GLN 222.A O no hydrogen 3.461 N/A SER 212.A OG LEU 223.A O no hydrogen 3.076 N/A ASN 214.A ND2 ASN 214.A O no hydrogen 2.022 N/A TYR 216.A OH PHE 211.A O no hydrogen 2.599 N/A GLY 227.A N PRO 224.A O no hydrogen 2.951 N/A ARG 228.A NH2 ASP 260.A OD1 no hydrogen 3.562 N/A ARG 232.A N GLY 229.A O no hydrogen 3.173 N/A ARG 232.A NH1 ASP 260.A OD1 no hydrogen 3.348 N/A ARG 233.A N GLY 229.A O no hydrogen 3.204 N/A ALA 234.A N LEU 230.A O no hydrogen 2.599 N/A GLU 236.A N ARG 232.A O no hydrogen 3.156 N/A ARG 237.A N ARG 233.A O no hydrogen 3.072 N/A ARG 237.A NH1 ASP 183.A OD1 no hydrogen 2.659 N/A MET 239.A N LEU 235.A O no hydrogen 2.707 N/A SER 240.A N GLU 236.A O no hydrogen 3.442 N/A SER 240.A OG GLU 236.A O no hydrogen 2.722 N/A GLU 241.A N ARG 237.A O no hydrogen 2.913 N/A GLY 242.A N MET 239.A O no hydrogen 3.426 N/A ALA 243.A N ASP 238.A O no hydrogen 2.985 N/A ASP 244.A N VAL 204.A O no hydrogen 2.973 N/A GLY 245.A N VAL 204.A O no hydrogen 3.325 N/A ILE 246.A N PRO 269.A O no hydrogen 3.371 N/A VAL 248.A N CYS 271.A O no hydrogen 3.156 N/A LYS 249.A N ALA 209.A O no hydrogen 2.680 N/A SER 251.A N GLU 278.A OE2 no hydrogen 2.963 N/A SER 251.A OG GLU 278.A OE1 no hydrogen 2.933 N/A SER 251.A OG GLU 278.A OE2 no hydrogen 3.545 N/A TYR 254.A N SER 251.A O no hydrogen 2.630 N/A MET 258.A N TYR 254.A O no hydrogen 2.932 N/A ARG 259.A N LEU 255.A O no hydrogen 2.734 N/A ARG 259.A NH2 GLU 33.A OE1 no hydrogen 3.537 N/A ARG 259.A NH2 ARG 306.A O no hydrogen 2.879 N/A ASP 260.A N ASP 256.A O no hydrogen 2.783 N/A ALA 261.A N ILE 257.A O no hydrogen 2.825 N/A SER 262.A N MET 258.A O no hydrogen 3.160 N/A SER 262.A OG ARG 259.A O no hydrogen 3.116 N/A GLU 263.A N ARG 259.A O no hydrogen 3.302 N/A ILE 264.A N ASP 260.A O no hydrogen 2.844 N/A CYS 265.A N ALA 261.A O no hydrogen 2.694 N/A LYS 266.A N GLU 263.A O no hydrogen 3.263 N/A LEU 268.A N CYS 265.A O no hydrogen 2.978 N/A CYS 271.A N ILE 246.A O no hydrogen 2.881 N/A CYS 271.A SG ALA 272.A O no hydrogen 3.491 N/A ALA 272.A N LEU 311.A O no hydrogen 3.105 N/A TYR 273.A N VAL 248.A O no hydrogen 3.317 N/A HIS 274.A N ILE 313.A O no hydrogen 2.993 N/A VAL 275.A N TYR 273.A O no hydrogen 3.181 N/A TYR 279.A N VAL 275.A O no hydrogen 2.988 N/A ALA 280.A N SER 276.A O no hydrogen 2.635 N/A MET 281.A N GLY 277.A O no hydrogen 2.798 N/A LEU 282.A N GLU 278.A O no hydrogen 2.841 N/A LEU 282.A N TYR 279.A O no hydrogen 2.929 N/A HIS 283.A N TYR 279.A O no hydrogen 3.182 N/A ALA 284.A N ALA 280.A O no hydrogen 3.169 N/A ALA 285.A N MET 281.A O no hydrogen 2.949 N/A ALA 286.A N LEU 282.A O no hydrogen 2.778 N/A GLU 287.A N HIS 283.A O no hydrogen 2.811 N/A GLY 289.A N ALA 286.A O no hydrogen 2.885 N/A THR 295.A N ASP 292.A O no hydrogen 2.789 N/A ILE 296.A N ASP 292.A O no hydrogen 3.288 N/A ALA 297.A N LEU 293.A O no hydrogen 2.727 N/A GLU 299.A N THR 295.A O no hydrogen 3.279 N/A SER 300.A N ILE 296.A O no hydrogen 3.127 N/A SER 300.A OG ILE 296.A O no hydrogen 3.056 N/A SER 300.A OG ALA 297.A O no hydrogen 2.691 N/A SER 300.A OG HIS 301.A ND1 no hydrogen 2.893 N/A HIS 301.A N ALA 297.A O no hydrogen 3.069 N/A HIS 301.A ND1 SER 300.A OG no hydrogen 2.893 N/A HIS 301.A NE2 THR 314.A OG1 no hydrogen 3.260 N/A GLN 302.A N PHE 298.A O no hydrogen 2.665 N/A GLN 302.A N GLU 299.A O no hydrogen 3.216 N/A GLN 302.A NE2 ARG 34.A O no hydrogen 3.331 N/A PHE 304.A N HIS 301.A O no hydrogen 3.119 N/A LEU 305.A N HIS 301.A O no hydrogen 3.414 N/A ARG 306.A N GLN 302.A O no hydrogen 2.674 N/A ALA 307.A N GLY 303.A O no hydrogen 2.993 N/A ALA 309.A N PHE 304.A O no hydrogen 3.086 N/A ARG 310.A N ILE 270.A O no hydrogen 3.134 N/A ILE 312.A N MET 40.A O no hydrogen 3.011 N/A ILE 313.A N ALA 272.A O no hydrogen 2.761 N/A THR 314.A OG1 HIS 301.A NE2 no hydrogen 3.260 N/A LEU 316.A N THR 314.A OG1 no hydrogen 2.741 N/A PHE 320.A N LEU 316.A O no hydrogen 2.891 N/A LEU 321.A N ALA 317.A O no hydrogen 3.378 N/A ASP 322.A N GLU 319.A O no hydrogen 2.975 N/A TRP 323.A N GLU 319.A O no hydrogen 3.270 N/A LEU 324.A N PHE 320.A O no hydrogen 2.714 N/A ASP 325.A N ASP 322.A O no hydrogen 2.944 N/A GLU 326.A N TRP 323.A O no hydrogen 2.742 N/A