Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qm4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N TYR 161.A O no hydrogen 3.445 N/A PHE 5.A N VAL 159.A O no hydrogen 3.043 N/A SER 7.A N VAL 157.A O no hydrogen 3.107 N/A SER 7.A OG GLY 245.A O no hydrogen 2.447 N/A SER 9.A N THR 155.A O no hydrogen 3.057 N/A SER 9.A OG ASN 134.A OD1 no hydrogen 2.991 N/A GLY 11.A N SER 153.A O no hydrogen 2.964 N/A GLY 13.A N PRO 151.A O no hydrogen 3.189 N/A HIS 14.A N GLY 11.A O no hydrogen 3.130 N/A ASP 16.A N HIS 14.A ND1 no hydrogen 3.355 N/A LYS 17.A NZ ASP 20.A OD2 no hydrogen 3.132 N/A LYS 17.A NZ ASP 242.A OD1 no hydrogen 2.800 N/A LYS 17.A NZ ALA 348.A O no hydrogen 3.004 N/A ILE 18.A N HIS 14.A O no hydrogen 2.754 N/A CYS 19.A N PRO 15.A O no hydrogen 3.147 N/A CYS 19.A SG PRO 15.A O no hydrogen 3.429 N/A ASP 20.A N ASP 16.A O no hydrogen 2.971 N/A GLN 21.A N LYS 17.A O no hydrogen 3.108 N/A ILE 22.A N ILE 18.A O no hydrogen 3.033 N/A SER 23.A N CYS 19.A O no hydrogen 3.114 N/A SER 23.A OG CYS 19.A O no hydrogen 2.784 N/A SER 23.A OG THR 43.A OG1 no hydrogen 2.852 N/A SER 23.A OG THR 235.A OG1 no hydrogen 3.258 N/A ASP 24.A N ASP 20.A O no hydrogen 3.249 N/A ALA 25.A N GLN 21.A O no hydrogen 2.783 N/A ALA 25.A N ILE 22.A O no hydrogen 3.197 N/A VAL 26.A N ILE 22.A O no hydrogen 3.046 N/A LEU 27.A N SER 23.A O no hydrogen 3.197 N/A ASP 28.A N ASP 24.A O no hydrogen 2.901 N/A ALA 29.A N ALA 25.A O no hydrogen 2.905 N/A HIS 30.A N LEU 27.A O no hydrogen 3.189 N/A HIS 30.A ND1 SER 58.A OG no hydrogen 2.848 N/A HIS 30.A NE2 TYR 64.A OH no hydrogen 2.990 N/A LEU 31.A N LEU 27.A O no hydrogen 3.075 N/A LYS 32.A N ASP 28.A O no hydrogen 3.104 N/A GLN 33.A N HIS 30.A O no hydrogen 3.011 N/A GLN 33.A NE2 MET 61.A O no hydrogen 3.467 N/A ASP 34.A N HIS 30.A O no hydrogen 2.836 N/A ASP 34.A N LEU 31.A O no hydrogen 3.290 N/A ASN 36.A N ASP 34.A OD1 no hydrogen 2.966 N/A ASN 36.A ND2 TYR 260.A OH no hydrogen 3.422 N/A ALA 37.A N ASP 34.A O no hydrogen 2.786 N/A LYS 38.A N THR 57.A O no hydrogen 2.769 N/A LYS 38.A NZ ASN 36.A O no hydrogen 2.901 N/A VAL 39.A N ASP 259.A OD2 no hydrogen 2.829 N/A CYS 41.A N GLY 257.A O no hydrogen 2.924 N/A CYS 41.A SG SER 23.A O no hydrogen 3.635 N/A GLU 42.A N CYS 53.A O no hydrogen 3.138 N/A THR 43.A N THR 235.A OG1 no hydrogen 2.879 N/A THR 43.A OG1 SER 23.A OG no hydrogen 2.852 N/A VAL 44.A N LEU 51.A O no hydrogen 2.900 N/A CYS 45.A N GLY 233.A O no hydrogen 2.811 N/A CYS 45.A SG PRO 15.A O no hydrogen 3.670 N/A LYS 46.A N MET 49.A O no hydrogen 2.773 N/A LYS 46.A NZ GLN 229.A OE1 no hydrogen 2.843 N/A LYS 46.A NZ ASP 231.A O no hydrogen 3.232 N/A VAL 50.A N ASN 90.A O no hydrogen 2.654 N/A LEU 51.A N VAL 44.A O no hydrogen 2.779 N/A LEU 52.A N LEU 92.A O no hydrogen 3.146 N/A CYS 53.A N GLU 42.A O no hydrogen 2.929 N/A GLU 55.A N ALA 40.A O no hydrogen 2.951 N/A ILE 56.A N GLU 96.A O no hydrogen 3.085 N/A THR 57.A N LYS 38.A O no hydrogen 2.810 N/A THR 57.A OG1 GLN 98.A OE1 no hydrogen 3.196 N/A SER 58.A OG HIS 30.A ND1 no hydrogen 2.848 N/A MET 59.A N ASP 34.A OD2 no hydrogen 3.130 N/A MET 61.A N GLN 33.A OE1 no hydrogen 3.170 N/A TYR 64.A OH HIS 30.A NE2 no hydrogen 2.990 N/A GLN 65.A NE2 VAL 91.A O no hydrogen 2.995 N/A ARG 66.A N ASP 63.A OD1 no hydrogen 2.987 N/A VAL 67.A N ASP 63.A O no hydrogen 2.879 N/A VAL 68.A N TYR 64.A O no hydrogen 2.860 N/A ARG 69.A N GLN 65.A O no hydrogen 3.047 N/A ARG 69.A NE GLN 65.A OE1 no hydrogen 2.762 N/A ARG 69.A NH1 PHE 86.A O no hydrogen 2.799 N/A ARG 69.A NH1 CYS 89.A O no hydrogen 3.063 N/A ARG 69.A NH2 GLN 65.A OE1 no hydrogen 2.894 N/A ARG 69.A NH2 CYS 89.A O no hydrogen 3.056 N/A ASP 70.A N ARG 66.A O no hydrogen 3.006 N/A THR 71.A OG1 VAL 67.A O no hydrogen 2.697 N/A ILE 72.A N VAL 68.A O no hydrogen 3.179 N/A LYS 73.A N ARG 69.A O no hydrogen 2.997 N/A HIS 74.A N ASP 70.A O no hydrogen 2.888 N/A ILE 75.A N THR 71.A O no hydrogen 3.166 N/A GLY 76.A N ILE 72.A O no hydrogen 3.190 N/A GLY 76.A N LYS 73.A O no hydrogen 2.862 N/A TYR 77.A N ILE 72.A O no hydrogen 2.996 N/A TYR 77.A OH GLY 13.A O no hydrogen 3.156 N/A LYS 82.A NZ ASP 78.A OD1 no hydrogen 2.447 N/A LYS 82.A NZ ASP 79.A OD2 no hydrogen 3.460 N/A GLY 83.A N SER 80.A O no hydrogen 3.061 N/A PHE 86.A N TYR 77.A O no hydrogen 3.053 N/A LYS 87.A N ASP 85.A OD1 no hydrogen 2.933 N/A LYS 87.A NZ ASP 85.A OD1 no hydrogen 2.882 N/A LYS 87.A NZ ASP 85.A OD2 no hydrogen 2.913 N/A THR 88.A N ASP 85.A O no hydrogen 2.922 N/A CYS 89.A N ASP 85.A O no hydrogen 3.019 N/A ASN 90.A N GLY 48.A O no hydrogen 3.094 N/A LEU 92.A N VAL 50.A O no hydrogen 2.846 N/A ALA 94.A N LEU 52.A O no hydrogen 2.808 N/A GLU 96.A N GLY 54.A O no hydrogen 2.881 N/A GLN 98.A N ILE 56.A O no hydrogen 3.176 N/A ALA 105.A N VAL 297.A O no hydrogen 2.896 N/A GLY 109.A N TYR 293.A O no hydrogen 3.082 N/A MET 111.A N VAL 291.A O no hydrogen 2.723 N/A GLY 113.A N VAL 289.A O no hydrogen 2.574 N/A TYR 114.A N TYR 244.A OH no hydrogen 3.270 N/A ALA 115.A N VAL 287.A O no hydrogen 3.081 N/A THR 116.A N CYS 122.A O no hydrogen 3.249 N/A THR 116.A OG1 GLU 118.A OE1 no hydrogen 2.757 N/A ASP 117.A N ARG 285.A O no hydrogen 2.838 N/A THR 119.A OG1 MET 123.A O no hydrogen 2.469 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.733 N/A CYS 122.A N THR 119.A O no hydrogen 3.009 N/A MET 123.A N THR 119.A OG1 no hydrogen 3.172 N/A LEU 125.A N GLU 118.A OE2 no hydrogen 2.849 N/A THR 126.A OG1 PHE 5.A O no hydrogen 3.434 N/A THR 126.A OG1 VAL 157.A O no hydrogen 2.993 N/A VAL 128.A N PRO 124.A O no hydrogen 3.094 N/A LEU 129.A N LEU 125.A O no hydrogen 2.785 N/A ALA 130.A N THR 126.A O no hydrogen 3.190 N/A HIS 131.A N ILE 127.A O no hydrogen 2.974 N/A HIS 131.A NE2 VAL 241.A O no hydrogen 2.907 N/A LYS 132.A N VAL 128.A O no hydrogen 2.967 N/A LEU 133.A N LEU 129.A O no hydrogen 2.827 N/A THR 135.A N HIS 131.A O no hydrogen 2.875 N/A ARG 136.A N LYS 132.A O no hydrogen 2.853 N/A ARG 136.A NH1 GLN 198.A O no hydrogen 2.508 N/A MET 137.A N LEU 133.A O no hydrogen 3.354 N/A ALA 138.A N ASN 134.A O no hydrogen 3.314 N/A ALA 138.A N THR 135.A O no hydrogen 3.206 N/A ASP 139.A N THR 135.A O no hydrogen 3.175 N/A LEU 140.A N ARG 136.A O no hydrogen 3.055 N/A ARG 141.A N MET 137.A O no hydrogen 2.946 N/A ARG 142.A N ALA 138.A O no hydrogen 2.755 N/A ARG 142.A NH1 GLU 12.A OE2 no hydrogen 3.197 N/A ARG 142.A NH2 GLU 12.A OE1 no hydrogen 2.492 N/A ARG 142.A NH2 GLU 12.A OE2 no hydrogen 3.557 N/A ARG 142.A NH2 HIS 74.A O no hydrogen 2.734 N/A SER 143.A N ASP 139.A O no hydrogen 2.717 N/A SER 143.A OG ASP 139.A O no hydrogen 3.260 N/A SER 143.A OG LEU 140.A O no hydrogen 3.377 N/A GLY 144.A N LEU 140.A O no hydrogen 3.326 N/A VAL 145.A N SER 143.A OG no hydrogen 3.216 N/A LEU 146.A N LEU 140.A O no hydrogen 3.039 N/A LEU 149.A N LEU 146.A O no hydrogen 3.386 N/A ARG 150.A N GLN 181.A O no hydrogen 3.043 N/A ARG 150.A NE ASN 183.A OD1 no hydrogen 2.432 N/A ARG 150.A NH1 VAL 224.A O no hydrogen 2.578 N/A LYS 154.A N SER 179.A O no hydrogen 2.919 N/A THR 155.A N SER 9.A O no hydrogen 2.993 N/A GLN 156.A N VAL 177.A O no hydrogen 2.869 N/A VAL 157.A N SER 7.A O no hydrogen 2.925 N/A THR 158.A N THR 175.A O no hydrogen 2.864 N/A VAL 159.A N PHE 5.A O no hydrogen 2.890 N/A GLN 160.A N ARG 172.A O no hydrogen 2.839 N/A TYR 161.A N PHE 3.A O no hydrogen 2.831 N/A TYR 161.A OH GLU 118.A OE2 no hydrogen 2.626 N/A GLN 163.A NE2 GLY 1.A O no hydrogen 2.668 N/A ILE 169.A N VAL 162.A O no hydrogen 2.849 N/A VAL 171.A N GLN 160.A O no hydrogen 2.851 N/A ARG 172.A N GLN 160.A O no hydrogen 3.499 N/A ARG 172.A NE GLN 160.A OE1 no hydrogen 2.578 N/A ARG 172.A NH2 GLN 160.A OE1 no hydrogen 3.391 N/A VAL 173.A N TYR 208.A O no hydrogen 3.048 N/A HIS 174.A N THR 158.A O no hydrogen 2.775 N/A THR 175.A N THR 158.A O no hydrogen 3.119 N/A ILE 176.A N ILE 214.A O no hydrogen 2.749 N/A VAL 177.A N GLN 156.A O no hydrogen 2.912 N/A ILE 178.A N HIS 216.A O no hydrogen 2.863 N/A SER 179.A N LYS 154.A O no hydrogen 3.111 N/A VAL 180.A N GLN 218.A OE1 no hydrogen 2.690 N/A GLN 181.A N ASP 152.A O no hydrogen 2.652 N/A GLN 181.A NE2 TYR 77.A OH no hydrogen 3.515 N/A HIS 182.A N PHE 223.A O no hydrogen 2.798 N/A ASN 183.A N TRP 148.A O no hydrogen 2.909 N/A ILE 186.A N GLU 184.A O no hydrogen 2.928 N/A GLU 189.A N THR 187.A OG1 no hydrogen 2.881 N/A MET 191.A N THR 187.A O no hydrogen 2.880 N/A ARG 192.A N LEU 188.A O no hydrogen 3.078 N/A GLU 193.A N GLU 189.A O no hydrogen 3.401 N/A ALA 194.A N ALA 190.A O no hydrogen 3.186 N/A LEU 195.A N MET 191.A O no hydrogen 2.929 N/A LYS 196.A N GLU 193.A O no hydrogen 3.296 N/A GLU 197.A N GLU 193.A O no hydrogen 3.096 N/A GLN 198.A N ALA 194.A O no hydrogen 3.025 N/A ILE 200.A N LEU 195.A O no hydrogen 2.937 N/A LYS 201.A N LYS 196.A O no hydrogen 2.964 N/A LYS 201.A NZ GLU 197.A OE1 no hydrogen 3.166 N/A LYS 201.A NZ GLU 197.A OE2 no hydrogen 3.156 N/A ALA 202.A N VAL 199.A O no hydrogen 3.275 N/A VAL 203.A N ILE 200.A O no hydrogen 3.111 N/A VAL 204.A N ILE 200.A O no hydrogen 2.926 N/A TYR 208.A N PRO 205.A O no hydrogen 2.717 N/A ASP 212.A N ASP 210.A OD2 no hydrogen 2.761 N/A THR 213.A OG1 VAL 173.A O no hydrogen 2.705 N/A ILE 214.A N HIS 174.A O no hydrogen 2.804 N/A HIS 216.A N ILE 176.A O no hydrogen 2.746 N/A GLN 218.A N ILE 178.A O no hydrogen 2.706 N/A GLN 218.A NE2 VAL 180.A O no hydrogen 3.083 N/A GLY 221.A N GLN 218.A O no hydrogen 3.028 N/A ARG 222.A NH1 GLU 184.A O no hydrogen 3.426 N/A ARG 222.A NH2 GLU 184.A O no hydrogen 3.142 N/A GLY 233.A N CYS 45.A O no hydrogen 2.757 N/A VAL 234.A N ASP 16.A OD1 no hydrogen 2.884 N/A THR 235.A OG1 CYS 19.A O no hydrogen 3.385 N/A THR 235.A OG1 SER 23.A OG no hydrogen 3.258 N/A THR 235.A OG1 THR 43.A O no hydrogen 2.864 N/A GLY 236.A N ASP 20.A OD1 no hydrogen 3.071 N/A ARG 237.A NE ASP 16.A OD2 no hydrogen 3.153 N/A ARG 237.A NH2 ASP 16.A OD1 no hydrogen 3.141 N/A LYS 238.A NZ ASP 16.A OD2 no hydrogen 3.563 N/A ASP 242.A N LYS 238.A O no hydrogen 3.175 N/A THR 243.A N ILE 240.A O no hydrogen 3.253 N/A THR 243.A OG1 ILE 239.A O no hydrogen 2.961 N/A THR 243.A OG1 ILE 240.A O no hydrogen 3.566 N/A THR 243.A OG1 HIS 250.A ND1 no hydrogen 3.313 N/A GLY 245.A N ILE 240.A O no hydrogen 3.201 N/A TRP 247.A N TYR 244.A O no hydrogen 3.317 N/A HIS 250.A NE2 GLY 253.A O no hydrogen 3.310 N/A SER 256.A OG ASP 20.A O no hydrogen 3.429 N/A SER 256.A OG ASP 24.A OD2 no hydrogen 2.703 N/A GLY 257.A N ASP 24.A OD1 no hydrogen 3.076 N/A LYS 258.A N PHE 255.A O no hydrogen 3.338 N/A LYS 258.A NZ ALA 254.A O no hydrogen 2.762 N/A ASP 259.A N VAL 39.A O no hydrogen 3.236 N/A TYR 260.A OH PRO 35.A O no hydrogen 2.695 N/A THR 261.A N ASP 259.A OD1 no hydrogen 3.012 N/A THR 261.A OG1 ASP 259.A OD1 no hydrogen 2.450 N/A LYS 262.A N ASP 259.A O no hydrogen 3.338 N/A LYS 262.A NZ ASP 259.A OD1 no hydrogen 3.534 N/A ARG 265.A N LYS 262.A O no hydrogen 2.892 N/A ARG 265.A NE TYR 269.A OH no hydrogen 2.962 N/A ARG 265.A NH1 ASP 24.A OD1 no hydrogen 2.846 N/A ARG 265.A NH1 LYS 258.A O no hydrogen 3.005 N/A ARG 265.A NH2 ASP 24.A OD1 no hydrogen 3.281 N/A ARG 265.A NH2 ASP 24.A OD2 no hydrogen 2.837 N/A SER 266.A N LYS 262.A O no hydrogen 3.350 N/A SER 266.A OG TYR 260.A O no hydrogen 2.660 N/A ALA 267.A N VAL 263.A O no hydrogen 3.161 N/A TYR 269.A N ARG 265.A O no hydrogen 3.088 N/A ALA 270.A N SER 266.A O no hydrogen 2.882 N/A ALA 271.A N ALA 267.A O no hydrogen 2.963 N/A ARG 272.A N ALA 268.A O no hydrogen 3.124 N/A ARG 272.A NE GLU 361.A OE1 no hydrogen 3.310 N/A ARG 272.A NE GLU 361.A OE2 no hydrogen 2.842 N/A ARG 272.A NH1 TYR 114.A O no hydrogen 2.650 N/A ARG 272.A NH1 CYS 122.A O no hydrogen 3.048 N/A ARG 272.A NH2 CYS 122.A O no hydrogen 3.385 N/A ARG 272.A NH2 GLU 361.A OE1 no hydrogen 3.023 N/A TRP 273.A N TYR 269.A O no hydrogen 2.980 N/A TRP 273.A NE1 VAL 362.A O no hydrogen 2.738 N/A VAL 274.A N ALA 270.A O no hydrogen 3.093 N/A ALA 275.A N ALA 271.A O no hydrogen 3.212 N/A LYS 276.A N ARG 272.A O no hydrogen 2.717 N/A LYS 276.A NZ GLU 361.A O no hydrogen 2.647 N/A LYS 276.A NZ GLU 361.A OE1 no hydrogen 2.728 N/A SER 277.A N TRP 273.A O no hydrogen 2.909 N/A SER 277.A OG TRP 273.A O no hydrogen 2.957 N/A LEU 278.A N VAL 274.A O no hydrogen 2.906 N/A VAL 279.A N ALA 275.A O no hydrogen 3.258 N/A LYS 280.A N LYS 276.A O no hydrogen 2.994 N/A ALA 281.A N SER 277.A O no hydrogen 2.824 N/A GLY 282.A N VAL 279.A O no hydrogen 2.978 N/A LEU 283.A N LEU 278.A O no hydrogen 3.288 N/A ARG 285.A N THR 310.A OG1 no hydrogen 2.824 N/A ARG 285.A NE ASP 117.A OD1 no hydrogen 3.365 N/A ARG 285.A NE ASP 117.A OD2 no hydrogen 2.933 N/A ARG 285.A NH2 ASP 117.A OD1 no hydrogen 3.542 N/A ARG 286.A N THR 310.A OG1 no hydrogen 3.184 N/A ARG 286.A NE TYR 114.A OH no hydrogen 2.995 N/A VAL 287.A N ALA 115.A O no hydrogen 2.857 N/A LEU 288.A N PHE 306.A O no hydrogen 2.863 N/A VAL 289.A N GLY 113.A O no hydrogen 2.982 N/A GLN 290.A N SER 304.A O no hydrogen 2.765 N/A VAL 291.A N MET 111.A O no hydrogen 2.814 N/A SER 292.A N SER 302.A O no hydrogen 2.968 N/A TYR 293.A N GLY 109.A O no hydrogen 2.909 N/A TYR 293.A OH LEU 328.A O no hydrogen 2.591 N/A GLY 296.A N ALA 105.A O no hydrogen 2.836 N/A VAL 297.A N ALA 294.A O no hydrogen 2.855 N/A SER 304.A N GLN 290.A O no hydrogen 2.745 N/A PHE 306.A N LEU 288.A O no hydrogen 2.850 N/A THR 307.A N GLU 315.A OE1 no hydrogen 2.571 N/A THR 307.A OG1 GLU 315.A OE1 no hydrogen 3.293 N/A THR 307.A OG1 GLU 315.A OE2 no hydrogen 2.483 N/A LYS 313.A NZ GLU 317.A OE1 no hydrogen 2.965 N/A ARG 316.A NH2 GLU 320.A OE1 no hydrogen 2.736 N/A LEU 318.A N THR 314.A O no hydrogen 3.308 N/A VAL 321.A N GLU 317.A O no hydrogen 3.236 N/A VAL 322.A N LEU 318.A O no hydrogen 3.099 N/A ASN 323.A N LEU 319.A O no hydrogen 2.899 N/A LYS 324.A N GLU 320.A O no hydrogen 2.804 N/A LYS 324.A NZ GLU 320.A OE2 no hydrogen 2.689 N/A ASN 325.A N VAL 322.A O no hydrogen 3.304 N/A PHE 326.A N VAL 322.A O no hydrogen 2.896 N/A ILE 333.A N ARG 329.A O no hydrogen 2.851 N/A VAL 334.A N PRO 330.A O no hydrogen 3.100 N/A ARG 335.A N GLY 331.A O no hydrogen 3.167 N/A ARG 335.A NH2 GLU 101.A OE2 no hydrogen 2.756 N/A ASP 336.A N VAL 332.A O no hydrogen 2.792 N/A LEU 337.A N ILE 333.A O no hydrogen 2.893 N/A LEU 339.A N VAL 334.A O no hydrogen 2.928 N/A LYS 341.A N ASP 338.A O no hydrogen 3.451 N/A LYS 341.A NZ ASP 338.A OD1 no hydrogen 3.159 N/A LYS 341.A NZ ASP 338.A OD2 no hydrogen 3.295 N/A ILE 343.A N LYS 341.A O no hydrogen 2.804 N/A TYR 344.A OH LEU 339.A O no hydrogen 2.696 N/A GLN 345.A N ASP 28.A OD2 no hydrogen 3.112 N/A LYS 346.A N ILE 343.A O no hydrogen 3.238 N/A LYS 346.A NZ GLU 357.A OE2 no hydrogen 2.771 N/A THR 347.A N TYR 344.A O no hydrogen 2.992 N/A ALA 348.A N GLN 345.A O no hydrogen 3.068 N/A CYS 349.A SG VAL 10.A O no hydrogen 3.692 N/A HIS 352.A N ASP 242.A O no hydrogen 3.010 N/A ARG 355.A NH2 LYS 346.A O no hydrogen 2.524 N/A ARG 355.A NH2 GLY 351.A O no hydrogen 2.843 N/A TRP 360.A NE1 HIS 352.A O no hydrogen 2.912 N/A GLU 361.A N PHE 358.A O no hydrogen 2.756 N/A VAL 362.A N PRO 359.A O no hydrogen 3.105 N/A LYS 364.A N SER 277.A OG no hydrogen 2.935 N/A LYS 364.A NZ ASN 325.A O no hydrogen 2.559 N/A