Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qnn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG CYS 2.A O no hydrogen 2.707 N/A CYS 2.A SG VAL 82.A O no hydrogen 3.430 N/A CYS 2.A SG ALA 83.A O no hydrogen 3.800 N/A TYR 4.A OH ASP 6.A OD1 no hydrogen 2.988 N/A SER 5.A OG THR 8.A OG1 no hydrogen 2.709 N/A THR 8.A N SER 5.A O no hydrogen 2.904 N/A THR 8.A N SER 5.A OG no hydrogen 3.246 N/A THR 8.A OG1 SER 5.A O no hydrogen 3.160 N/A THR 8.A OG1 SER 5.A OG no hydrogen 2.709 N/A VAL 9.A N ASP 6.A O no hydrogen 2.898 N/A LYS 10.A N ASP 79.A O no hydrogen 3.024 N/A MET 11.A N TYR 24.A O no hydrogen 3.009 N/A ILE 12.A N LEU 77.A O no hydrogen 3.063 N/A LEU 14.A N VAL 75.A O no hydrogen 2.697 N/A THR 15.A N ASN 18.A O no hydrogen 3.411 N/A LYS 20.A NZ TYR 24.A OH no hydrogen 3.243 N/A LYS 20.A NZ ASN 33.A OD1 no hydrogen 3.362 N/A TYR 24.A N MET 11.A O no hydrogen 2.832 N/A THR 25.A N THR 28.A OG1 no hydrogen 2.718 N/A ASP 27.A N THR 25.A OG1 no hydrogen 3.075 N/A THR 28.A N THR 25.A OG1 no hydrogen 3.149 N/A ILE 29.A N THR 25.A O no hydrogen 2.797 N/A LYS 30.A NZ PHE 35.A O no hydrogen 2.747 N/A LYS 31.A N THR 28.A O no hydrogen 3.181 N/A HIS 32.A N ILE 29.A O no hydrogen 2.881 N/A PHE 35.A N HIS 32.A O no hydrogen 2.985 N/A LYS 36.A N ASN 33.A O no hydrogen 2.628 N/A ILE 40.A N TYR 122.A O no hydrogen 3.260 N/A HIS 42.A NE2 GLU 34.A OE1 no hydrogen 2.610 N/A GLN 43.A N ASN 72.A O no hydrogen 2.608 N/A VAL 44.A N ASN 128.A O no hydrogen 2.970 N/A VAL 45.A N LEU 74.A O no hydrogen 2.991 N/A PHE 46.A N ARG 130.A O no hydrogen 2.861 N/A ILE 47.A N ILE 76.A O no hydrogen 2.930 N/A THR 48.A N ILE 132.A O no hydrogen 2.857 N/A HIS 49.A ND1 GLY 50.A O no hydrogen 3.065 N/A THR 52.A N ALA 84.A O no hydrogen 2.832 N/A SER 54.A N SER 53.A OG no hydrogen 2.663 N/A SER 54.A OG ASP 56.A OD1 no hydrogen 3.372 N/A ALA 55.A N ASP 79.A OD1 no hydrogen 2.637 N/A ASP 56.A N ASP 56.A OD1 no hydrogen 2.631 N/A LEU 61.A N THR 57.A O no hydrogen 3.218 N/A ALA 62.A N GLU 58.A O no hydrogen 2.993 N/A MET 63.A N ASN 59.A O no hydrogen 3.224 N/A MET 63.A N PHE 60.A O no hydrogen 3.064 N/A ALA 64.A N PHE 60.A O no hydrogen 2.851 N/A LYS 65.A N LEU 61.A O no hydrogen 2.805 N/A ALA 66.A N ALA 62.A O no hydrogen 2.991 N/A LEU 67.A N MET 63.A O no hydrogen 3.131 N/A LEU 67.A N ALA 64.A O no hydrogen 3.147 N/A SER 68.A N ALA 64.A O no hydrogen 3.012 N/A SER 68.A OG ALA 64.A O no hydrogen 3.467 N/A SER 68.A OG LYS 65.A O no hydrogen 2.965 N/A ASP 69.A N LYS 65.A O no hydrogen 2.964 N/A LYS 70.A N LEU 67.A O no hydrogen 2.579 N/A LYS 70.A NZ ILE 238.A O no hydrogen 3.090 N/A GLY 71.A N SER 68.A O no hydrogen 3.279 N/A ASN 72.A N LYS 70.A O no hydrogen 3.118 N/A ASN 72.A ND2 LYS 41.A O no hydrogen 3.357 N/A LEU 74.A N GLN 43.A O no hydrogen 2.820 N/A VAL 75.A N LEU 14.A O no hydrogen 2.756 N/A ILE 76.A N VAL 45.A O no hydrogen 2.905 N/A LEU 77.A N ILE 12.A O no hydrogen 2.832 N/A ILE 78.A N ILE 47.A O no hydrogen 2.700 N/A ASP 79.A N LYS 10.A O no hydrogen 2.776 N/A TRP 80.A N HIS 49.A NE2 no hydrogen 2.895 N/A TRP 80.A NE1 HIS 49.A O no hydrogen 3.097 N/A ARG 81.A NE ASP 79.A OD2 no hydrogen 2.767 N/A ARG 81.A NH2 ASP 56.A OD1 no hydrogen 2.875 N/A ARG 81.A NH2 ASP 79.A OD1 no hydrogen 2.597 N/A ARG 81.A NH2 ASP 79.A OD2 no hydrogen 3.082 N/A ALA 84.A N TRP 80.A O no hydrogen 3.048 N/A ALA 84.A N ARG 81.A O no hydrogen 3.200 N/A CYS 85.A N VAL 82.A O no hydrogen 2.888 N/A CYS 85.A SG TYR 96.A O no hydrogen 3.378 N/A THR 86.A N ARG 81.A O no hydrogen 2.660 N/A THR 86.A OG1 SER 53.A O no hydrogen 2.670 N/A THR 86.A OG1 ARG 81.A O no hydrogen 3.150 N/A SER 90.A OG GLU 88.A O no hydrogen 2.556 N/A TYR 96.A N ILE 92.A O no hydrogen 3.160 N/A TYR 96.A OH GLU 88.A OE1 no hydrogen 3.281 N/A TYR 97.A N GLN 93.A O no hydrogen 2.813 N/A TYR 97.A OH PRO 167.A O no hydrogen 2.861 N/A SER 98.A N LEU 94.A O no hydrogen 3.240 N/A TYR 99.A N ALA 95.A O no hydrogen 3.085 N/A ALA 100.A N TYR 96.A O no hydrogen 3.023 N/A ALA 101.A N TYR 97.A O no hydrogen 3.038 N/A SER 102.A N SER 98.A O no hydrogen 3.171 N/A ASN 103.A N TYR 99.A O no hydrogen 2.909 N/A ASN 103.A ND2 CYS 2.A O no hydrogen 3.189 N/A ASN 103.A ND2 ALA 83.A O no hydrogen 2.719 N/A THR 104.A N ALA 101.A O no hydrogen 3.142 N/A THR 104.A OG1 ALA 101.A O no hydrogen 2.500 N/A VAL 107.A N ASN 103.A O no hydrogen 3.049 N/A GLY 108.A N THR 104.A O no hydrogen 2.961 N/A ASN 109.A N ARG 105.A O no hydrogen 2.824 N/A TYR 110.A N LEU 106.A O no hydrogen 2.949 N/A ILE 111.A N VAL 107.A O no hydrogen 2.964 N/A ALA 112.A N GLY 108.A O no hydrogen 2.881 N/A THR 113.A N ASN 109.A O no hydrogen 2.897 N/A THR 113.A N TYR 110.A O no hydrogen 2.724 N/A THR 113.A OG1 ASN 109.A O no hydrogen 2.975 N/A VAL 114.A N TYR 110.A O no hydrogen 2.945 N/A THR 115.A N ILE 111.A O no hydrogen 2.968 N/A THR 115.A OG1 ILE 111.A O no hydrogen 3.155 N/A THR 115.A OG1 TYR 156.A OH no hydrogen 2.497 N/A LYS 116.A N ALA 112.A O no hydrogen 2.991 N/A LYS 116.A NZ GLN 120.A OE1 no hydrogen 3.215 N/A MET 117.A N THR 113.A O no hydrogen 3.286 N/A LEU 118.A N VAL 114.A O no hydrogen 2.967 N/A VAL 119.A N THR 115.A O no hydrogen 2.855 N/A GLN 120.A N LYS 116.A O no hydrogen 2.775 N/A LYS 121.A N MET 117.A O no hydrogen 2.714 N/A TYR 122.A OH PHE 35.A O no hydrogen 2.744 N/A VAL 124.A N LEU 118.A O no hydrogen 2.877 N/A ASN 128.A N PRO 125.A O no hydrogen 2.696 N/A ILE 129.A N MET 126.A O no hydrogen 2.981 N/A ARG 130.A N VAL 44.A O no hydrogen 3.002 N/A ARG 130.A NE GLU 158.A OE2 no hydrogen 2.912 N/A ARG 130.A NH2 LEU 269.A O no hydrogen 3.046 N/A LEU 131.A N GLU 158.A O no hydrogen 3.221 N/A ILE 132.A N PHE 46.A O no hydrogen 2.699 N/A GLY 133.A N ILE 160.A O no hydrogen 3.125 N/A HIS 134.A N THR 48.A O no hydrogen 3.140 N/A HIS 134.A NE2 HIS 227.A O no hydrogen 2.630 N/A SER 135.A N LEU 162.A O no hydrogen 3.080 N/A SER 135.A OG HIS 134.A O no hydrogen 3.430 N/A LEU 136.A N SER 135.A OG no hydrogen 2.755 N/A GLY 137.A N HIS 134.A O no hydrogen 2.461 N/A ALA 138.A N SER 135.A O no hydrogen 2.969 N/A HIS 139.A NE2 ALA 165.A O no hydrogen 2.738 N/A THR 140.A N LEU 136.A O no hydrogen 2.967 N/A THR 140.A OG1 THR 104.A O no hydrogen 3.332 N/A THR 140.A OG1 LEU 136.A O no hydrogen 3.290 N/A SER 141.A N GLY 137.A O no hydrogen 3.036 N/A SER 141.A OG GLY 137.A O no hydrogen 2.662 N/A GLY 142.A N ALA 138.A O no hydrogen 2.941 N/A PHE 143.A N HIS 139.A O no hydrogen 2.753 N/A ALA 144.A N THR 140.A O no hydrogen 2.914 N/A GLY 145.A N SER 141.A O no hydrogen 3.040 N/A LYS 146.A N GLY 142.A O no hydrogen 3.109 N/A LYS 146.A NZ CYS 174.A O no hydrogen 2.990 N/A LYS 146.A NZ ARG 177.A O no hydrogen 2.950 N/A LYS 146.A NZ ASP 182.A OD1 no hydrogen 2.743 N/A LYS 146.A NZ ASP 182.A OD2 no hydrogen 3.150 N/A LYS 147.A N PHE 143.A O no hydrogen 2.943 N/A VAL 148.A N ALA 144.A O no hydrogen 3.005 N/A GLN 149.A NE2 GLY 145.A O no hydrogen 3.387 N/A GLN 149.A NE2 THR 181.A O no hydrogen 3.141 N/A GLU 150.A N LYS 146.A O no hydrogen 2.978 N/A LEU 151.A N LYS 147.A O no hydrogen 2.677 N/A GLY 152.A N GLN 149.A O no hydrogen 3.254 N/A LEU 153.A N VAL 148.A O no hydrogen 2.987 N/A LYS 155.A NZ THR 181.A O no hydrogen 3.181 N/A TYR 156.A OH THR 115.A OG1 no hydrogen 2.497 N/A SER 157.A N MET 126.A O no hydrogen 3.391 N/A SER 157.A OG ILE 129.A O no hydrogen 3.319 N/A ILE 159.A N TYR 185.A O no hydrogen 2.995 N/A ILE 160.A N LEU 131.A O no hydrogen 2.828 N/A GLY 161.A N GLN 187.A O no hydrogen 2.558 N/A LEU 162.A N GLY 133.A O no hydrogen 2.812 N/A ASP 163.A N ILE 189.A O no hydrogen 2.650 N/A GLY 166.A N LEU 195.A O no hydrogen 2.816 N/A PHE 169.A N GLY 166.A O no hydrogen 3.092 N/A LYS 170.A N GLY 166.A O no hydrogen 2.741 N/A LYS 170.A NZ THR 197.A OG1 no hydrogen 2.620 N/A ASN 172.A N PHE 169.A O no hydrogen 2.783 N/A ASN 172.A ND2 SER 168.A O no hydrogen 3.328 N/A ASN 172.A ND2 GLU 176.A O no hydrogen 3.023 N/A CYS 174.A SG THR 181.A OG1 no hydrogen 3.424 N/A SER 175.A N ASP 173.A OD2 no hydrogen 2.920 N/A SER 175.A OG ASP 173.A OD2 no hydrogen 2.487 N/A GLU 176.A N ASP 173.A O no hydrogen 2.874 N/A ARG 177.A NE ASN 172.A O no hydrogen 3.046 N/A ARG 177.A NH1 ILE 178.A O no hydrogen 3.071 N/A ILE 178.A N HIS 139.A ND1 no hydrogen 3.062 N/A CYS 179.A N ASP 182.A OD2 no hydrogen 2.669 N/A CYS 179.A SG THR 181.A OG1 no hydrogen 3.514 N/A ASP 182.A N CYS 179.A O no hydrogen 2.881 N/A HIS 184.A N TYR 156.A O no hydrogen 2.799 N/A TYR 185.A N SER 157.A O no hydrogen 3.141 N/A VAL 186.A N THR 203.A OG1 no hydrogen 2.925 N/A GLN 187.A N ILE 159.A O no hydrogen 2.923 N/A GLN 187.A NE2 GLU 158.A OE1 no hydrogen 2.964 N/A GLN 187.A NE2 GLY 268.A O no hydrogen 2.823 N/A ILE 188.A N VAL 204.A O no hydrogen 3.116 N/A ILE 189.A N GLY 161.A O no hydrogen 2.771 N/A HIS 190.A N PHE 206.A O no hydrogen 2.768 N/A HIS 190.A ND1 THR 197.A O no hydrogen 2.779 N/A HIS 190.A NE2 ASP 205.A OD1 no hydrogen 2.791 N/A THR 191.A N ASP 163.A OD1 no hydrogen 2.720 N/A THR 191.A OG1 SER 226.A O no hydrogen 2.959 N/A SER 192.A N ASP 163.A OD1 no hydrogen 2.890 N/A SER 192.A OG ASP 163.A OD2 no hydrogen 2.523 N/A HIS 194.A N GLU 223.A OE1 no hydrogen 2.799 N/A LEU 195.A N GLU 223.A OE1 no hydrogen 2.902 N/A VAL 199.A N THR 197.A OG1 no hydrogen 2.974 N/A LEU 201.A N ASP 205.A OD1 no hydrogen 2.781 N/A GLY 202.A N ASP 205.A OD1 no hydrogen 3.357 N/A GLY 202.A N ASP 205.A OD2 no hydrogen 3.008 N/A THR 203.A N VAL 186.A O no hydrogen 2.755 N/A THR 203.A OG1 VAL 186.A O no hydrogen 3.458 N/A VAL 204.A N VAL 186.A O no hydrogen 3.207 N/A ASP 205.A N GLY 278.A O no hydrogen 2.789 N/A PHE 206.A N ILE 188.A O no hydrogen 2.816 N/A MET 207.A N PHE 280.A O no hydrogen 2.719 N/A ASN 208.A N HIS 190.A O no hydrogen 3.204 N/A GLN 213.A N SER 226.A OG no hydrogen 2.763 N/A GLN 213.A NE2 THR 191.A O no hydrogen 2.931 N/A GLN 213.A NE2 ASN 208.A O no hydrogen 2.930 N/A CYS 216.A N GLN 213.A O no hydrogen 2.916 N/A GLY 222.A N LEU 218.A O no hydrogen 2.780 N/A GLU 223.A N LEU 220.A O no hydrogen 3.482 N/A SER 226.A N GLY 222.A O no hydrogen 2.812 N/A SER 226.A OG GLY 222.A O no hydrogen 3.185 N/A HIS 227.A N GLU 223.A O no hydrogen 2.900 N/A HIS 227.A ND1 ASP 163.A OD2 no hydrogen 2.382 N/A THR 228.A N THR 224.A O no hydrogen 3.113 N/A THR 228.A N CYS 225.A O no hydrogen 2.979 N/A THR 228.A OG1 THR 224.A O no hydrogen 3.261 N/A ARG 229.A N CYS 225.A O no hydrogen 2.942 N/A ARG 229.A NH1 PRO 214.A O no hydrogen 2.899 N/A ARG 229.A NH1 TYR 233.A OH no hydrogen 2.858 N/A ARG 229.A NH2 PRO 214.A O no hydrogen 3.312 N/A VAL 231.A N THR 228.A O no hydrogen 2.826 N/A LYS 232.A N THR 228.A O no hydrogen 3.388 N/A TYR 233.A N ARG 229.A O no hydrogen 2.586 N/A TYR 233.A OH GLN 213.A OE1 no hydrogen 2.433 N/A PHE 234.A N ALA 230.A O no hydrogen 3.144 N/A THR 235.A N VAL 231.A O no hydrogen 3.078 N/A GLU 236.A N LYS 232.A O no hydrogen 3.120 N/A CYS 237.A N TYR 233.A O no hydrogen 3.292 N/A CYS 237.A N PHE 234.A O no hydrogen 3.188 N/A CYS 237.A SG TYR 233.A O no hydrogen 3.524 N/A ILE 238.A N PHE 234.A O no hydrogen 3.309 N/A ILE 238.A N THR 235.A O no hydrogen 3.340 N/A LYS 239.A N THR 235.A O no hydrogen 3.149 N/A HIS 240.A N GLU 236.A O no hydrogen 2.623 N/A CYS 242.A SG TYR 274.A OH no hydrogen 3.491 N/A CYS 243.A N HIS 240.A O no hydrogen 2.967 N/A CYS 243.A SG PRO 289.A O no hydrogen 3.289 N/A ILE 245.A N ASN 292.A OD1 no hydrogen 2.781 N/A GLY 246.A N VAL 265.A O no hydrogen 2.623 N/A VAL 247.A N TYR 281.A O no hydrogen 2.959 N/A GLN 249.A N SER 279.A O no hydrogen 2.876 N/A GLN 249.A NE2 SER 250.A O no hydrogen 2.876 N/A SER 250.A OG PRO 248.A O no hydrogen 3.212 N/A CYS 259.A N VAL 256.A O no hydrogen 3.127 N/A CYS 259.A SG PRO 255.A O no hydrogen 3.897 N/A THR 260.A OG1 GLU 263.A OE1 no hydrogen 2.753 N/A THR 260.A OG1 GLU 263.A OE2 no hydrogen 2.284 N/A ASN 262.A N THR 260.A OG1 no hydrogen 3.102 N/A GLU 263.A N THR 260.A O no hydrogen 3.025 N/A CYS 264.A N THR 260.A O no hydrogen 3.004 N/A VAL 265.A N GLY 246.A O no hydrogen 3.014 N/A CYS 266.A SG TYR 274.A OH no hydrogen 3.206 N/A VAL 267.A N LEU 244.A O no hydrogen 2.978 N/A GLY 268.A N GLN 187.A OE1 no hydrogen 2.981 N/A ASN 270.A ND2 GLU 241.A OE1 no hydrogen 3.471 N/A ASN 270.A ND2 GLU 241.A OE2 no hydrogen 3.525 N/A ALA 271.A N GLY 268.A O no hydrogen 3.295 N/A LYS 272.A NZ GLU 158.A OE2 no hydrogen 2.907 N/A LYS 272.A NZ LEU 269.A O no hydrogen 3.373 N/A THR 273.A N ASN 270.A O no hydrogen 3.100 N/A THR 273.A OG1 ASN 270.A O no hydrogen 2.769 N/A TYR 274.A N ALA 271.A O no hydrogen 2.659 N/A TYR 274.A OH ILE 297.A O no hydrogen 2.800 N/A LYS 276.A NZ THR 277.A O no hydrogen 2.972 N/A GLY 278.A N THR 203.A O no hydrogen 3.079 N/A PHE 280.A N ASP 205.A O no hydrogen 2.781 N/A TYR 281.A N VAL 247.A O no hydrogen 2.663 N/A VAL 282.A N MET 207.A O no hydrogen 2.791 N/A GLU 285.A N TYR 290.A O no hydrogen 3.113 N/A TYR 290.A N LYS 287.A O no hydrogen 2.775 N/A CYS 291.A N PRO 289.A O no hydrogen 2.732 N/A CYS 291.A SG PRO 289.A O no hydrogen 3.390 N/A ASN 292.A N CYS 243.A O no hydrogen 2.665 N/A ASN 292.A ND2 ILE 245.A O no hydrogen 2.902 N/A ASN 292.A ND2 PRO 283.A O no hydrogen 3.155 N/A GLY 295.A N ASN 293.A OD1 no hydrogen 3.268 N/A