Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f9q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A ND2 GLU 174.A OE2 no hydrogen 2.880 N/A ASP 4.A N ILE 170.A O no hydrogen 3.037 N/A ASN 5.A ND2 GLU 174.A OE2 no hydrogen 3.329 N/A ILE 6.A N LEU 168.A O no hydrogen 2.708 N/A LEU 8.A N GLY 166.A O no hydrogen 2.758 N/A VAL 9.A N TYR 17.A O no hydrogen 2.966 N/A PHE 11.A N MET 15.A O no hydrogen 2.692 N/A ASN 13.A N ASP 10.A OD2 no hydrogen 2.885 N/A ILE 14.A N PHE 11.A O no hydrogen 2.957 N/A MET 15.A N PHE 11.A O no hydrogen 3.166 N/A TYR 17.A N VAL 9.A O no hydrogen 2.829 N/A GLY 18.A N PHE 31.A O no hydrogen 3.114 N/A ALA 20.A N PHE 29.A O no hydrogen 3.252 N/A GLU 21.A N THR 92.A O no hydrogen 2.871 N/A VAL 22.A N GLN 27.A O no hydrogen 3.029 N/A GLY 23.A N LEU 90.A O no hydrogen 2.741 N/A ASP 24.A N SER 63.A OG no hydrogen 2.794 N/A ASN 25.A N ASN 25.A OD1 no hydrogen 2.644 N/A GLN 26.A N GLY 23.A O no hydrogen 3.054 N/A GLN 26.A NE2 THR 92.A OG1 no hydrogen 3.038 N/A GLN 27.A N VAL 22.A O no hydrogen 3.053 N/A GLN 27.A NE2 ASN 25.A OD1 no hydrogen 3.107 N/A GLN 27.A NE2 ASP 59.A O no hydrogen 3.069 N/A PHE 29.A N ALA 20.A O no hydrogen 3.092 N/A THR 30.A N ASP 121.A OD2 no hydrogen 2.853 N/A THR 30.A OG1 ASP 19.A OD1 no hydrogen 3.169 N/A PHE 31.A N GLY 18.A O no hydrogen 2.814 N/A ILE 32.A N GLY 122.A O no hydrogen 3.066 N/A ASP 34.A N LEU 124.A O no hydrogen 2.971 N/A THR 35.A N SER 215.A OG no hydrogen 2.975 N/A THR 35.A OG1 VAL 213.A O no hydrogen 3.307 N/A GLY 36.A N ASP 34.A OD2 no hydrogen 2.789 N/A SER 37.A N ASP 34.A O no hydrogen 3.319 N/A SER 37.A OG ASP 34.A OD1 no hydrogen 2.708 N/A ASN 39.A ND2 ILE 133.A O no hydrogen 2.864 N/A TRP 41.A N ILE 123.A O no hydrogen 2.951 N/A VAL 42.A N ILE 103.A O no hydrogen 3.173 N/A SER 44.A N VAL 105.A O no hydrogen 2.935 N/A SER 44.A OG GLU 104.A OE2 no hydrogen 2.585 N/A VAL 45.A N TYR 58.A O no hydrogen 2.884 N/A LYS 46.A N SER 44.A OG no hydrogen 2.908 N/A CYS 47.A N SER 44.A O no hydrogen 2.883 N/A CYS 47.A SG THR 49.A OG1 no hydrogen 3.081 N/A CYS 47.A SG ILE 106.A O no hydrogen 3.219 N/A THR 49.A OG1 THR 108.A OG1 no hydrogen 2.552 N/A CYS 52.A N THR 49.A O no hydrogen 3.036 N/A CYS 52.A SG THR 49.A OG1 no hydrogen 3.408 N/A LEU 53.A N ALA 50.A O no hydrogen 3.205 N/A THR 54.A OG1 GLY 51.A O no hydrogen 3.122 N/A LYS 55.A N CYS 52.A O no hydrogen 3.084 N/A LYS 55.A NZ TYR 115.A O no hydrogen 2.682 N/A LYS 55.A NZ PHE 120.A O no hydrogen 2.882 N/A HIS 56.A N ASP 121.A OD1 no hydrogen 2.888 N/A HIS 56.A ND1 ASP 121.A OD2 no hydrogen 2.754 N/A TYR 58.A N PRO 43.A O no hydrogen 2.774 N/A TYR 58.A OH ASP 89.A OD1 no hydrogen 2.832 N/A ASP 59.A N GLN 27.A OE1 no hydrogen 2.864 N/A SER 61.A N ASP 59.A OD1 no hydrogen 3.128 N/A SER 61.A OG ASP 59.A OD1 no hydrogen 2.650 N/A LYS 62.A N ASP 59.A O no hydrogen 3.135 N/A SER 63.A N SER 60.A O no hydrogen 3.214 N/A SER 63.A OG ASP 89.A OD1 no hydrogen 2.870 N/A SER 63.A OG ASP 89.A OD2 no hydrogen 3.022 N/A ARG 64.A N ASP 24.A OD2 no hydrogen 2.315 N/A THR 65.A OG1 SER 63.A OG no hydrogen 2.906 N/A THR 65.A OG1 ASP 89.A OD2 no hydrogen 2.544 N/A TYR 66.A N SER 63.A O no hydrogen 3.289 N/A GLU 67.A N LYS 88.A O no hydrogen 2.728 N/A GLY 70.A N PHE 86.A O no hydrogen 2.907 N/A THR 71.A N ASP 69.A OD1 no hydrogen 2.886 N/A THR 71.A OG1 ASP 69.A OD1 no hydrogen 2.531 N/A VAL 73.A N GLY 84.A O no hydrogen 2.954 N/A MET 75.A N VAL 82.A O no hydrogen 2.838 N/A TYR 77.A N GLY 80.A O no hydrogen 2.616 N/A GLY 80.A N TYR 77.A O no hydrogen 3.019 N/A THR 81.A N GLY 110.A O no hydrogen 2.773 N/A THR 81.A OG1 ASN 76.A OD1 no hydrogen 2.569 N/A VAL 82.A N MET 75.A O no hydrogen 2.966 N/A SER 83.A N ASP 107.A O no hydrogen 3.099 N/A GLY 84.A N VAL 73.A O no hydrogen 2.852 N/A PHE 85.A N GLU 104.A O no hydrogen 3.154 N/A PHE 86.A N THR 71.A O no hydrogen 2.943 N/A SER 87.A N PHE 102.A O no hydrogen 2.891 N/A SER 87.A OG GLU 104.A OE1 no hydrogen 2.844 N/A LYS 88.A N GLU 67.A O no hydrogen 3.202 N/A ASP 89.A N TYR 100.A O no hydrogen 3.267 N/A LEU 90.A N ASP 89.A OD2 no hydrogen 2.624 N/A VAL 91.A N LEU 98.A O no hydrogen 2.870 N/A THR 92.A N GLU 21.A O no hydrogen 2.850 N/A THR 92.A OG1 SER 97.A OG no hydrogen 2.826 N/A VAL 93.A N LEU 96.A O no hydrogen 2.835 N/A ASN 95.A N ASP 4.A OD1 no hydrogen 3.062 N/A LEU 96.A N VAL 93.A O no hydrogen 3.024 N/A SER 97.A OG THR 92.A OG1 no hydrogen 2.826 N/A LEU 98.A N VAL 91.A O no hydrogen 3.041 N/A TYR 100.A N ASP 89.A O no hydrogen 2.824 N/A TYR 100.A OH ASP 137.A O no hydrogen 2.905 N/A LYS 101.A NZ GLY 134.A O no hydrogen 3.465 N/A PHE 102.A N SER 87.A O no hydrogen 2.858 N/A ILE 103.A N LEU 40.A O no hydrogen 2.859 N/A GLU 104.A N PHE 85.A O no hydrogen 2.803 N/A VAL 105.A N VAL 42.A O no hydrogen 2.972 N/A ILE 106.A N SER 83.A O no hydrogen 2.739 N/A ASP 107.A N SER 83.A O no hydrogen 3.057 N/A THR 108.A OG1 THR 49.A OG1 no hydrogen 2.552 N/A ASN 109.A N ASP 107.A OD1 no hydrogen 2.920 N/A PHE 111.A N THR 108.A O no hydrogen 2.820 N/A TYR 115.A N PHE 111.A O no hydrogen 3.067 N/A TYR 115.A OH ASP 121.A O no hydrogen 2.537 N/A THR 116.A N GLU 112.A OE2 no hydrogen 2.912 N/A THR 116.A OG1 GLU 112.A OE1 no hydrogen 2.612 N/A THR 116.A OG1 GLU 112.A OE2 no hydrogen 3.128 N/A ALA 117.A N PRO 113.A O no hydrogen 2.957 N/A SER 118.A N TYR 115.A O no hydrogen 3.321 N/A SER 118.A OG THR 114.A O no hydrogen 2.658 N/A ASP 121.A N THR 30.A O no hydrogen 2.786 N/A GLY 122.A N THR 30.A O no hydrogen 3.180 N/A ILE 123.A N TRP 41.A O no hydrogen 3.250 N/A LEU 124.A N ILE 32.A O no hydrogen 2.858 N/A GLY 125.A N ASN 39.A O no hydrogen 2.911 N/A LEU 126.A N ASP 34.A O no hydrogen 2.748 N/A GLY 127.A N SER 37.A O no hydrogen 2.718 N/A LEU 131.A N TRP 128.A O no hydrogen 2.797 N/A SER 132.A N LYS 129.A O no hydrogen 2.749 N/A SER 132.A OG LYS 129.A O no hydrogen 2.698 N/A ILE 133.A N ASN 39.A OD1 no hydrogen 3.033 N/A VAL 136.A N SER 132.A OG no hydrogen 3.218 N/A GLU 142.A N PRO 138.A O no hydrogen 2.870 N/A LEU 143.A N ILE 139.A O no hydrogen 2.934 N/A LYS 144.A N VAL 140.A O no hydrogen 3.069 N/A LYS 144.A NZ ASP 312.A OD1 no hydrogen 3.008 N/A ASN 145.A N VAL 141.A O no hydrogen 3.091 N/A GLN 146.A N GLU 142.A O no hydrogen 3.006 N/A ASN 147.A N LYS 144.A O no hydrogen 2.892 N/A LYS 148.A N LEU 143.A O no hydrogen 2.900 N/A LYS 148.A NZ SER 97.A O no hydrogen 2.653 N/A LYS 148.A NZ GLN 146.A OE1 no hydrogen 3.029 N/A ALA 152.A N ASP 312.A OD1 no hydrogen 3.023 N/A PHE 154.A N PHE 309.A O no hydrogen 3.123 N/A THR 155.A N THR 169.A O no hydrogen 2.732 N/A PHE 156.A N THR 307.A O no hydrogen 2.924 N/A TYR 157.A N PHE 167.A O no hydrogen 2.998 N/A TYR 157.A OH LYS 322.A O no hydrogen 2.717 N/A VAL 160.A N HIS 164.A O no hydrogen 2.899 N/A HIS 161.A ND1 ASP 10.A OD2 no hydrogen 2.988 N/A LYS 163.A N VAL 160.A O no hydrogen 2.855 N/A HIS 164.A N VAL 160.A O no hydrogen 3.174 N/A HIS 164.A ND1 THR 165.A O no hydrogen 2.743 N/A THR 165.A OG1 GLU 7.A OE2 no hydrogen 3.074 N/A GLY 166.A N LEU 8.A O no hydrogen 3.026 N/A PHE 167.A N TYR 157.A O no hydrogen 2.728 N/A LEU 168.A N ILE 6.A O no hydrogen 2.830 N/A THR 169.A N THR 155.A O no hydrogen 3.008 N/A THR 169.A OG1 ASN 5.A OD1 no hydrogen 2.500 N/A ILE 170.A N ASP 4.A O no hydrogen 2.742 N/A GLY 171.A N LEU 153.A O no hydrogen 2.886 N/A ARG 176.A NE GLU 174.A OE1 no hydrogen 2.927 N/A ARG 176.A NH1 GLU 174.A OE1 no hydrogen 3.233 N/A PHE 177.A N GLU 174.A O no hydrogen 3.253 N/A TYR 178.A N GLU 175.A O no hydrogen 3.278 N/A GLU 179.A N LEU 320.A O no hydrogen 2.908 N/A THR 183.A N ILE 318.A O no hydrogen 2.875 N/A GLU 185.A N VAL 316.A O no hydrogen 2.805 N/A LYS 186.A NZ ASN 313.A O no hydrogen 2.687 N/A LEU 187.A N HIS 314.A O no hydrogen 3.097 N/A ASN 188.A N GLN 194.A O no hydrogen 2.959 N/A ASN 188.A ND2 THR 196.A OG1 no hydrogen 3.319 N/A HIS 189.A ND1 ASN 188.A OD1 no hydrogen 2.725 N/A TRP 193.A NE1 LEU 126.A O no hydrogen 2.926 N/A GLN 194.A NE2 ASN 188.A OD1 no hydrogen 2.604 N/A ILE 195.A N CYS 211.A O no hydrogen 2.872 N/A LEU 197.A N ALA 209.A O no hydrogen 2.963 N/A ASP 198.A N THR 256.A O no hydrogen 2.890 N/A ALA 199.A N LEU 206.A O no hydrogen 2.828 N/A HIS 200.A N GLU 254.A O no hydrogen 2.844 N/A HIS 200.A ND1 SER 205.A OG no hydrogen 2.637 N/A VAL 201.A N ILE 204.A O no hydrogen 3.227 N/A SER 205.A OG HIS 200.A ND1 no hydrogen 2.637 N/A LEU 206.A N ALA 199.A O no hydrogen 2.822 N/A LYS 208.A N ASP 198.A OD1 no hydrogen 2.580 N/A ALA 209.A N LEU 197.A O no hydrogen 2.774 N/A ASN 210.A N PRO 293.A O no hydrogen 3.059 N/A CYS 211.A N ILE 195.A O no hydrogen 2.748 N/A CYS 211.A SG ALA 209.A O no hydrogen 3.976 N/A ILE 212.A N PHE 295.A O no hydrogen 2.855 N/A VAL 213.A N TRP 193.A O no hydrogen 3.063 N/A ASP 214.A N LEU 297.A O no hydrogen 3.159 N/A SER 215.A N THR 35.A OG1 no hydrogen 2.933 N/A SER 215.A OG LEU 33.A O no hydrogen 2.618 N/A THR 217.A OG1 ASP 214.A OD2 no hydrogen 2.641 N/A ILE 220.A N ASN 284.A O no hydrogen 3.309 N/A THR 221.A N ILE 296.A O no hydrogen 3.082 N/A VAL 222.A N ILE 286.A O no hydrogen 2.670 N/A THR 224.A N ASP 289.A OD2 no hydrogen 2.774 N/A THR 224.A OG1 ASP 289.A OD1 no hydrogen 2.530 N/A THR 224.A OG1 ASP 289.A OD2 no hydrogen 3.018 N/A LEU 227.A N PRO 223.A O no hydrogen 2.844 N/A ASN 228.A N THR 224.A O no hydrogen 2.995 N/A LYS 229.A N ASP 225.A O no hydrogen 3.208 N/A MET 230.A N PHE 226.A O no hydrogen 3.042 N/A LEU 231.A N LEU 227.A O no hydrogen 2.830 N/A LEU 231.A N ASN 228.A O no hydrogen 3.126 N/A VAL 236.A N LEU 234.A O no hydrogen 2.896 N/A LYS 238.A NZ TYR 241.A OH no hydrogen 3.441 N/A VAL 242.A N ILE 237.A O no hydrogen 3.344 N/A THR 243.A N CYS 281.A O no hydrogen 2.783 N/A THR 243.A OG1 ASP 235.A O no hydrogen 2.952 N/A THR 243.A OG1 LEU 244.A O no hydrogen 3.546 N/A CYS 245.A N GLY 279.A O no hydrogen 2.828 N/A CYS 245.A SG HIS 272.A ND1 no hydrogen 3.128 N/A CYS 245.A SG GLY 279.A O no hydrogen 3.281 N/A ASN 247.A N LEU 244.A O no hydrogen 2.962 N/A ASN 247.A ND2 THR 243.A OG1 no hydrogen 3.153 N/A LYS 249.A N ASN 247.A OD1 no hydrogen 2.663 N/A LYS 249.A NZ ASN 233.A O no hydrogen 3.279 N/A LYS 249.A NZ ASP 235.A OD2 no hydrogen 2.960 N/A PHE 253.A N LEU 264.A O no hydrogen 2.952 N/A GLU 254.A N HIS 200.A O no hydrogen 2.790 N/A PHE 255.A N TYR 262.A O no hydrogen 2.696 N/A THR 256.A N ASP 198.A O no hydrogen 2.911 N/A SER 257.A N GLY 260.A O no hydrogen 2.822 N/A SER 257.A OG GLU 185.A OE1 no hydrogen 2.695 N/A SER 257.A OG GLU 185.A OE2 no hydrogen 3.114 N/A SER 257.A OG GLY 260.A O no hydrogen 3.523 N/A ASN 259.A N SER 257.A OG no hydrogen 3.031 N/A GLY 260.A N SER 257.A OG no hydrogen 2.843 N/A LYS 261.A NZ GLU 254.A OE1 no hydrogen 3.419 N/A TYR 262.A N PHE 255.A O no hydrogen 2.710 N/A TYR 262.A OH GLU 185.A OE1 no hydrogen 2.577 N/A THR 263.A N TYR 305.A OH no hydrogen 2.891 N/A THR 263.A OG1 GLU 265.A OE1 no hydrogen 2.859 N/A LEU 264.A N PHE 253.A O no hydrogen 2.876 N/A GLU 265.A N GLU 265.A OE2 no hydrogen 2.602 N/A TYR 268.A N GLU 265.A O no hydrogen 2.841 N/A TYR 269.A N PRO 266.A O no hydrogen 3.031 N/A TYR 269.A OH PRO 251.A O no hydrogen 2.586 N/A GLN 271.A N MET 282.A O no hydrogen 2.827 N/A ILE 273.A N LEU 280.A O no hydrogen 2.938 N/A VAL 276.A N ILE 273.A O no hydrogen 2.902 N/A GLY 277.A N ILE 273.A O no hydrogen 3.375 N/A GLY 279.A N GLU 274.A OE2 no hydrogen 2.662 N/A LEU 280.A N GLY 277.A O no hydrogen 3.189 N/A CYS 281.A N THR 243.A O no hydrogen 2.649 N/A CYS 281.A SG HIS 272.A ND1 no hydrogen 3.208 N/A MET 282.A N GLN 271.A O no hydrogen 2.627 N/A LEU 283.A N TYR 241.A O no hydrogen 2.868 N/A ASN 284.A N TYR 269.A O no hydrogen 2.787 N/A ASN 284.A ND2 SER 218.A O no hydrogen 2.769 N/A ILE 286.A N ILE 220.A O no hydrogen 2.950 N/A LEU 288.A N VAL 222.A O no hydrogen 2.732 N/A THR 294.A OG1 VAL 292.A O no hydrogen 2.818 N/A PHE 295.A N ASN 210.A O no hydrogen 2.856 N/A ILE 296.A N THR 221.A O no hydrogen 3.275 N/A ILE 296.A N THR 221.A OG1 no hydrogen 3.018 N/A LEU 297.A N ILE 212.A O no hydrogen 2.733 N/A ASP 299.A N THR 217.A O no hydrogen 2.848 N/A MET 302.A N GLY 298.A O no hydrogen 3.012 N/A ARG 303.A N ASP 299.A O no hydrogen 2.746 N/A LYS 304.A N PHE 301.A O no hydrogen 3.074 N/A LYS 304.A NZ THR 263.A O no hydrogen 2.669 N/A LYS 304.A NZ GLU 265.A OE1 no hydrogen 3.375 N/A LYS 304.A NZ GLU 265.A OE2 no hydrogen 2.844 N/A LYS 304.A NZ TYR 305.A OH no hydrogen 3.217 N/A TYR 305.A N PHE 301.A O no hydrogen 2.836 N/A TYR 305.A OH THR 263.A O no hydrogen 3.254 N/A PHE 306.A N ALA 319.A O no hydrogen 2.622 N/A THR 307.A N PHE 156.A O no hydrogen 3.210 N/A VAL 308.A N GLY 317.A O no hydrogen 2.758 N/A PHE 309.A N PHE 154.A O no hydrogen 2.837 N/A ASP 310.A N SER 315.A O no hydrogen 3.043 N/A TYR 311.A N ALA 152.A O no hydrogen 2.949 N/A TYR 311.A OH GLY 127.A O no hydrogen 2.852 N/A ASN 313.A N ASP 310.A OD1 no hydrogen 2.837 N/A ASN 313.A ND2 ASP 310.A OD2 no hydrogen 2.774 N/A HIS 314.A N TYR 311.A O no hydrogen 3.353 N/A HIS 314.A ND1 ASP 190.A OD2 no hydrogen 2.623 N/A SER 315.A N ASP 310.A O no hydrogen 3.226 N/A VAL 316.A N GLU 185.A O no hydrogen 2.900 N/A GLY 317.A N VAL 308.A O no hydrogen 2.702 N/A ILE 318.A N THR 183.A O no hydrogen 2.695 N/A ALA 319.A N PHE 306.A O no hydrogen 3.078 N/A ALA 321.A N LYS 304.A O no hydrogen 2.891 N/A LYS 322.A N PHE 177.A O no hydrogen 2.963 N/A LYS 322.A NZ ARG 176.A O no hydrogen 3.160 N/A LYS 322.A NZ TYR 178.A O no hydrogen 2.830 N/A LYS 323.A NZ TYR 268.A OH no hydrogen 2.927 N/A