Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dw9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH HIS 80.A ND1 no hydrogen 3.413 N/A SER 5.A N TYR 44.A OH no hydrogen 2.759 N/A ALA 8.A N SER 5.A OG no hydrogen 2.852 N/A THR 9.A N SER 5.A O no hydrogen 2.929 N/A THR 9.A OG1 SER 5.A O no hydrogen 3.077 N/A THR 9.A OG1 TYR 44.A OH no hydrogen 2.606 N/A ARG 10.A N ILE 6.A O no hydrogen 2.938 N/A ASN 11.A N GLU 7.A O no hydrogen 2.759 N/A LEU 12.A N THR 9.A O no hydrogen 3.250 N/A ALA 13.A N GLU 16.A OE1 no hydrogen 3.166 N/A GLU 16.A N ALA 13.A O no hydrogen 2.773 N/A CYS 18.A N GLU 77.A OE2 no hydrogen 2.992 N/A ILE 19.A N GLU 77.A OE1 no hydrogen 3.119 N/A GLN 20.A N GLN 35.A O no hydrogen 3.015 N/A GLN 20.A NE2 THR 14.A O no hydrogen 3.118 N/A GLN 20.A NE2 ARG 17.A O no hydrogen 2.633 N/A ILE 22.A N GLN 33.A O no hydrogen 2.909 N/A ARG 23.A N ASP 21.A OD1 no hydrogen 2.979 N/A ARG 23.A NE ASP 21.A OD1 no hydrogen 2.996 N/A ARG 23.A NE ASP 21.A OD2 no hydrogen 3.327 N/A ARG 23.A NH1 ASP 85.A OD2 no hydrogen 3.466 N/A ARG 23.A NH2 ASP 21.A OD2 no hydrogen 2.749 N/A ALA 25.A N ILE 22.A O no hydrogen 3.357 N/A ARG 30.A N VAL 27.A O no hydrogen 2.918 N/A GLN 35.A N GLN 20.A O no hydrogen 3.004 N/A ALA 37.A N CYS 18.A O no hydrogen 2.820 N/A GLN 38.A NE2 ASP 99.A OD2 no hydrogen 2.896 N/A ASN 40.A ND2 THR 15.A O no hydrogen 2.701 N/A ASN 40.A ND2 ARG 17.A O no hydrogen 3.087 N/A MET 41.A N ALA 37.A O no hydrogen 2.768 N/A LEU 42.A N GLN 38.A O no hydrogen 2.758 N/A ALA 43.A N GLN 39.A O no hydrogen 2.947 N/A TYR 44.A N ASN 40.A O no hydrogen 2.907 N/A TYR 44.A OH SER 5.A O no hydrogen 3.072 N/A TYR 44.A OH THR 9.A OG1 no hydrogen 2.606 N/A THR 45.A N MET 41.A O no hydrogen 3.055 N/A THR 45.A OG1 MET 41.A O no hydrogen 3.379 N/A THR 45.A OG1 ASN 73.A OD1 no hydrogen 3.192 N/A PHE 46.A N LEU 42.A O no hydrogen 2.794 N/A VAL 49.A N PHE 46.A O no hydrogen 3.100 N/A PHE 53.A N ILE 50.A O no hydrogen 2.752 N/A ALA 54.A N ASN 59.A OD1 no hydrogen 2.732 N/A ILE 58.A N SER 55.A O no hydrogen 2.945 N/A ILE 58.A N SER 55.A OG no hydrogen 3.337 N/A ASN 59.A N SER 55.A O no hydrogen 2.886 N/A ASN 59.A ND2 ALA 54.A O no hydrogen 2.543 N/A GLY 60.A N ALA 56.A O no hydrogen 3.035 N/A MET 61.A N ILE 58.A O no hydrogen 3.293 N/A TYR 63.A N PRO 313.A O no hydrogen 2.858 N/A TYR 63.A OH SER 105.A OG no hydrogen 2.719 N/A ARG 64.A N ASP 62.A OD1 no hydrogen 2.940 N/A ARG 64.A NE ASP 62.A OD1 no hydrogen 3.094 N/A ARG 64.A NH2 ASP 62.A OD2 no hydrogen 2.657 N/A ASP 65.A N ASP 62.A O no hydrogen 2.943 N/A VAL 66.A N ASP 62.A O no hydrogen 3.233 N/A VAL 66.A N TYR 63.A O no hydrogen 2.907 N/A ILE 67.A N TYR 63.A O no hydrogen 2.860 N/A GLY 68.A N ARG 64.A O no hydrogen 3.032 N/A ARG 69.A N VAL 66.A O no hydrogen 3.080 N/A ARG 69.A NH1 PHE 2.A O no hydrogen 2.845 N/A GLU 72.A N GLY 68.A O no hydrogen 3.107 N/A ASN 73.A N ARG 69.A O no hydrogen 2.745 N/A ALA 74.A N PRO 70.A O no hydrogen 2.923 N/A VAL 75.A N VAL 71.A O no hydrogen 2.852 N/A THR 76.A N GLU 72.A O no hydrogen 2.896 N/A THR 76.A OG1 GLU 72.A O no hydrogen 3.136 N/A GLU 77.A N ASN 73.A O no hydrogen 2.908 N/A GLY 78.A N ALA 74.A O no hydrogen 2.907 N/A THR 79.A N VAL 75.A O no hydrogen 3.022 N/A THR 79.A OG1 VAL 75.A O no hydrogen 2.617 N/A HIS 80.A N THR 76.A O no hydrogen 2.817 N/A PHE 81.A N GLU 77.A O no hydrogen 3.058 N/A PHE 82.A N GLY 78.A O no hydrogen 2.851 N/A ARG 83.A N THR 79.A O no hydrogen 2.726 N/A ASP 85.A N PHE 82.A O no hydrogen 2.835 N/A PHE 86.A N ARG 83.A O no hydrogen 3.190 N/A ASN 91.A N ASP 89.A OD1 no hydrogen 2.757 N/A ALA 92.A N ASP 89.A O no hydrogen 3.006 N/A LYS 93.A N ASP 89.A O no hydrogen 3.380 N/A ALA 94.A N SER 90.A O no hydrogen 2.741 N/A LYS 95.A N ASN 91.A O no hydrogen 2.998 N/A LYS 95.A NZ GLN 38.A OE1 no hydrogen 2.960 N/A LYS 95.A NZ ASP 99.A OD2 no hydrogen 2.635 N/A VAL 96.A N ALA 92.A O no hydrogen 3.049 N/A ALA 97.A N LYS 93.A O no hydrogen 3.060 N/A GLY 98.A N ALA 94.A O no hydrogen 3.146 N/A ASP 99.A N LYS 95.A O no hydrogen 3.113 N/A ILE 100.A N VAL 96.A O no hydrogen 2.695 N/A PHE 101.A N ALA 97.A O no hydrogen 2.945 N/A GLU 102.A N GLY 98.A O no hydrogen 3.232 N/A ILE 103.A N ASP 99.A O no hydrogen 3.038 N/A VAL 104.A N ILE 100.A O no hydrogen 2.949 N/A SER 105.A N PHE 101.A O no hydrogen 3.122 N/A SER 105.A OG TYR 63.A OH no hydrogen 2.719 N/A SER 105.A OG PHE 101.A O no hydrogen 3.069 N/A SER 106.A N GLU 102.A O no hydrogen 2.807 N/A SER 106.A OG GLU 102.A O no hydrogen 2.465 N/A ALA 107.A N ILE 103.A O no hydrogen 2.771 N/A VAL 108.A N VAL 104.A O no hydrogen 2.886 N/A MET 109.A N SER 105.A O no hydrogen 2.951 N/A TRP 110.A N SER 106.A O no hydrogen 2.812 N/A ASN 111.A N ALA 107.A O no hydrogen 3.058 N/A ASN 111.A ND2 ILE 207.A O no hydrogen 2.879 N/A CYS 112.A N VAL 108.A O no hydrogen 3.073 N/A CYS 112.A SG VAL 108.A O no hydrogen 3.081 N/A CYS 112.A SG ALA 319.A O no hydrogen 3.909 N/A ALA 113.A N MET 109.A O no hydrogen 2.882 N/A ALA 114.A N TRP 110.A O no hydrogen 2.712 N/A ARG 115.A N ASN 111.A O no hydrogen 2.959 N/A ARG 115.A NE GLU 206.A OE2 no hydrogen 2.653 N/A ARG 115.A NH1 PRO 129.A O no hydrogen 2.717 N/A ARG 115.A NH2 GLN 128.A O no hydrogen 3.539 N/A ARG 115.A NH2 GLU 206.A OE1 no hydrogen 2.895 N/A ARG 115.A NH2 GLU 206.A OE2 no hydrogen 3.288 N/A TRP 116.A N CYS 112.A O no hydrogen 2.898 N/A TRP 116.A NE1 ARG 142.A O no hydrogen 2.819 N/A ASN 117.A N ALA 113.A O no hydrogen 2.866 N/A ASN 117.A ND2 VAL 144.A O no hydrogen 3.118 N/A ASN 117.A ND2 TRP 203.A O no hydrogen 2.519 N/A SER 118.A N ALA 114.A O no hydrogen 2.797 N/A SER 118.A OG GLU 123.A OE2 no hydrogen 2.869 N/A LEU 119.A N ARG 115.A O no hydrogen 3.128 N/A MET 120.A N TRP 116.A O no hydrogen 2.863 N/A GLY 122.A N LEU 119.A O no hydrogen 3.181 N/A GLU 123.A N SER 118.A O no hydrogen 3.095 N/A TRP 125.A NE1 TYR 131.A O no hydrogen 2.766 N/A ARG 126.A NH1 ARG 204.A O no hydrogen 2.974 N/A ARG 126.A NH1 GLU 206.A OE2 no hydrogen 3.089 N/A ARG 126.A NH2 ARG 204.A O no hydrogen 2.882 N/A TYR 131.A OH GLY 52.A O no hydrogen 2.538 N/A LEU 136.A N ASN 327.A OD1 no hydrogen 2.947 N/A SER 139.A OG GLY 335.A O no hydrogen 2.744 N/A ARG 141.A N SER 139.A OG no hydrogen 3.316 N/A ARG 142.A N SER 139.A O no hydrogen 3.295 N/A ARG 142.A NE VAL 333.A O no hydrogen 3.218 N/A ARG 142.A NH1 SER 137.A O no hydrogen 2.446 N/A ARG 142.A NH1 SER 137.A OG no hydrogen 3.423 N/A ARG 142.A NH2 VAL 333.A O no hydrogen 2.666 N/A GLN 143.A N PRO 140.A O no hydrogen 3.475 N/A GLN 143.A NE2 PRO 140.A O no hydrogen 2.970 N/A GLN 143.A NE2 GLN 198.A O no hydrogen 2.834 N/A VAL 144.A N ASN 117.A OD1 no hydrogen 2.963 N/A ALA 145.A N VAL 191.A O no hydrogen 2.434 N/A LEU 147.A N ALA 189.A O no hydrogen 2.701 N/A LEU 149.A N ASP 187.A O no hydrogen 2.765 N/A ARG 151.A NH1 ASP 99.A OD2 no hydrogen 3.024 N/A ARG 151.A NH2 ASP 99.A OD1 no hydrogen 3.190 N/A PHE 153.A N PRO 150.A O no hydrogen 3.063 N/A TRP 155.A N SER 184.A O no hydrogen 2.954 N/A TRP 155.A NE1 GLU 255.A OE1 no hydrogen 2.764 N/A VAL 156.A N ASP 154.A OD1 no hydrogen 3.205 N/A SER 157.A N ASP 154.A O no hydrogen 2.931 N/A SER 157.A OG ASP 154.A O no hydrogen 3.101 N/A LEU 158.A N TRP 155.A O no hydrogen 2.913 N/A LEU 159.A N VAL 156.A O no hydrogen 3.115 N/A VAL 160.A N VAL 229.A O no hydrogen 2.966 N/A GLU 162.A N GLU 162.A OE2 no hydrogen 2.819 N/A GLN 164.A N VAL 160.A O no hydrogen 3.050 N/A GLN 164.A NE2 LEU 159.A O no hydrogen 2.863 N/A GLU 165.A N PRO 161.A O no hydrogen 2.806 N/A VAL 166.A N GLU 162.A O no hydrogen 3.226 N/A ILE 167.A N SER 163.A O no hydrogen 3.246 N/A GLU 168.A N GLN 164.A O no hydrogen 2.910 N/A GLU 169.A N GLU 165.A O no hydrogen 2.897 N/A PHE 170.A N VAL 166.A O no hydrogen 3.003 N/A ARG 171.A N ILE 167.A O no hydrogen 2.731 N/A ARG 171.A NE LEU 181.A O no hydrogen 2.907 N/A ARG 171.A NH2 LEU 181.A O no hydrogen 2.702 N/A ARG 171.A NH2 THR 183.A OG1 no hydrogen 2.557 N/A ALA 172.A N GLU 168.A O no hydrogen 2.788 N/A GLY 173.A N GLU 169.A O no hydrogen 3.138 N/A LEU 174.A N PHE 170.A O no hydrogen 3.395 N/A ARG 175.A N ARG 171.A O no hydrogen 2.815 N/A ARG 175.A NH2 GLU 168.A OE2 no hydrogen 2.925 N/A LYS 176.A N ALA 172.A O no hydrogen 3.375 N/A LYS 176.A NZ GLY 173.A O no hydrogen 3.216 N/A LYS 176.A NZ ASP 177.A OD1 no hydrogen 3.129 N/A LYS 176.A NZ ASP 177.A OD2 no hydrogen 2.608 N/A ASP 177.A N LEU 174.A O no hydrogen 3.176 N/A GLY 178.A N ARG 175.A O no hydrogen 3.227 N/A LEU 179.A N LEU 174.A O no hydrogen 3.063 N/A THR 183.A OG1 ASP 154.A OD1 no hydrogen 2.687 N/A THR 183.A OG1 ASP 154.A OD2 no hydrogen 3.134 N/A SER 184.A N GLU 255.A OE1 no hydrogen 3.008 N/A SER 184.A N GLU 255.A OE2 no hydrogen 3.375 N/A THR 185.A N SER 184.A OG no hydrogen 2.482 N/A THR 185.A OG1 PRO 186.A O no hydrogen 2.904 N/A ASP 187.A N VAL 238.A O no hydrogen 3.019 N/A LEU 188.A N VAL 238.A O no hydrogen 3.276 N/A ALA 189.A N LEU 147.A O no hydrogen 2.721 N/A VAL 190.A N LEU 236.A O no hydrogen 2.910 N/A VAL 191.A N ALA 145.A O no hydrogen 2.647 N/A VAL 192.A N GLU 233.A O no hydrogen 2.863 N/A LEU 193.A N GLN 143.A O no hydrogen 3.063 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 3.054 N/A PHE 197.A N PRO 194.A O no hydrogen 2.729 N/A GLN 198.A N PRO 194.A O no hydrogen 3.194 N/A GLN 198.A N GLU 195.A O no hydrogen 2.734 N/A GLN 198.A NE2 LEU 193.A O no hydrogen 3.317 N/A ASP 200.A N PHE 197.A O no hydrogen 2.604 N/A ARG 204.A N GLU 201.A O no hydrogen 3.066 N/A ILE 207.A N ASN 111.A OD1 no hydrogen 2.648 N/A LEU 210.A N PHE 46.A O no hydrogen 2.790 N/A ARG 212.A NH2 GLN 215.A OE1 no hydrogen 3.307 N/A GLN 215.A N THR 211.A O no hydrogen 2.987 N/A GLN 215.A NE2 GLN 39.A O no hydrogen 2.972 N/A GLN 215.A NE2 LEU 210.A O no hydrogen 2.812 N/A ILE 216.A N ARG 212.A O no hydrogen 3.107 N/A LEU 217.A N PRO 213.A O no hydrogen 2.802 N/A LEU 218.A N ASN 214.A O no hydrogen 2.800 N/A SER 219.A N GLN 215.A O no hydrogen 2.811 N/A SER 219.A OG GLN 215.A O no hydrogen 2.798 N/A GLY 220.A N ILE 216.A O no hydrogen 2.976 N/A ALA 221.A N LEU 218.A O no hydrogen 3.296 N/A GLN 223.A N GLY 220.A O no hydrogen 2.915 N/A GLN 223.A NE2 TYR 222.A OH no hydrogen 3.526 N/A ARG 224.A N ALA 221.A O no hydrogen 2.919 N/A LEU 225.A N TYR 222.A O no hydrogen 3.123 N/A GLN 226.A N GLN 223.A O no hydrogen 3.344 N/A GLN 226.A NE2 SER 157.A OG no hydrogen 2.744 N/A GLY 227.A N SER 157.A O no hydrogen 2.970 N/A GLY 227.A N LEU 158.A O no hydrogen 3.094 N/A ARG 228.A N LEU 225.A O no hydrogen 2.984 N/A ARG 228.A NH1 GLU 196.A OE2 no hydrogen 2.519 N/A VAL 229.A N LEU 158.A O no hydrogen 3.128 N/A GLN 230.A N GLU 233.A OE1 no hydrogen 3.052 N/A GLU 233.A N GLN 230.A O no hydrogen 2.817 N/A SER 235.A N VAL 190.A O no hydrogen 2.912 N/A LEU 236.A N VAL 190.A O no hydrogen 3.315 N/A ALA 237.A N GLU 273.A O no hydrogen 2.778 N/A VAL 238.A N LEU 188.A O no hydrogen 2.975 N/A ALA 239.A N GLU 275.A O no hydrogen 2.844 N/A PHE 240.A N ASP 187.A OD2 no hydrogen 2.889 N/A LYS 241.A N HIS 277.A O no hydrogen 3.013 N/A LEU 244.A N ALA 280.A O no hydrogen 2.797 N/A ARG 245.A NH1 LEU 244.A O no hydrogen 3.030 N/A ARG 248.A N ARG 245.A O no hydrogen 2.858 N/A ARG 248.A NH1 SER 243.A O no hydrogen 2.783 N/A ARG 248.A NH2 SER 243.A O no hydrogen 3.264 N/A ARG 248.A NH2 SER 243.A OG no hydrogen 3.056 N/A GLN 251.A NE2 THR 185.A O no hydrogen 2.896 N/A TYR 254.A N TYR 250.A O no hydrogen 2.776 N/A GLU 255.A N GLN 251.A O no hydrogen 2.869 N/A ALA 256.A N PRO 252.A O no hydrogen 2.759 N/A ASN 257.A N LEU 253.A O no hydrogen 3.120 N/A ASN 257.A ND2 LEU 253.A O no hydrogen 2.414 N/A VAL 258.A N TYR 254.A O no hydrogen 3.176 N/A VAL 258.A N GLU 255.A O no hydrogen 3.094 N/A MET 259.A N GLU 255.A O no hydrogen 2.911 N/A GLN 260.A N ALA 256.A O no hydrogen 2.971 N/A GLN 260.A NE2 VAL 272.A O no hydrogen 3.415 N/A GLN 260.A NE2 ARG 304.A O no hydrogen 3.536 N/A GLN 260.A NE2 ALA 305.A O no hydrogen 2.875 N/A LEU 261.A N ASN 257.A O no hydrogen 2.989 N/A LEU 262.A N VAL 258.A O no hydrogen 2.909 N/A LEU 263.A N MET 259.A O no hydrogen 2.746 N/A GLU 264.A N GLN 260.A O no hydrogen 2.895 N/A GLY 265.A N GLN 260.A O no hydrogen 3.178 N/A LYS 266.A N LEU 262.A O no hydrogen 3.314 N/A ALA 269.A N LEU 263.A O no hydrogen 2.814 N/A LYS 271.A NZ GLU 273.A OE2 no hydrogen 3.350 N/A VAL 272.A N GLU 264.A OE2 no hydrogen 2.942 N/A GLU 275.A N ALA 237.A O no hydrogen 2.729 N/A VAL 276.A N GLU 308.A O no hydrogen 3.058 N/A HIS 277.A N ALA 239.A O no hydrogen 2.869 N/A HIS 277.A NE2 GLU 275.A OE2 no hydrogen 2.837 N/A THR 278.A N TYR 310.A O no hydrogen 2.857 N/A THR 278.A OG1 LYS 241.A O no hydrogen 2.851 N/A THR 278.A OG1 ARG 242.A O no hydrogen 3.155 N/A LEU 279.A N ARG 242.A O no hydrogen 2.937 N/A ALA 280.A N THR 278.A OG1 no hydrogen 3.014 N/A PHE 287.A N THR 284.A O no hydrogen 3.185 N/A VAL 288.A N THR 284.A O no hydrogen 3.364 N/A THR 289.A N ASN 285.A O no hydrogen 2.931 N/A THR 289.A OG1 ASN 285.A O no hydrogen 3.070 N/A TYR 290.A N ALA 286.A O no hydrogen 3.044 N/A TYR 290.A OH LEU 249.A O no hydrogen 2.546 N/A GLU 291.A N VAL 288.A O no hydrogen 2.974 N/A ALA 292.A N THR 289.A O no hydrogen 3.412 N/A SER 294.A N HIS 303.A O no hydrogen 2.929 N/A SER 294.A OG GLN 260.A OE1 no hydrogen 2.812 N/A LEU 295.A N ASN 257.A OD1 no hydrogen 2.897 N/A LEU 298.A N SER 294.A O no hydrogen 3.232 N/A ALA 299.A N LEU 295.A O no hydrogen 3.024 N/A GLU 300.A N TYR 296.A O no hydrogen 3.045 N/A ALA 305.A N ALA 292.A O no hydrogen 2.977 N/A ARG 307.A N PHE 274.A O no hydrogen 2.873 N/A ARG 307.A NE GLU 273.A OE2 no hydrogen 2.671 N/A ARG 307.A NH1 GLU 275.A OE1 no hydrogen 2.663 N/A TYR 310.A N VAL 276.A O no hydrogen 2.657 N/A TYR 310.A OH ASP 317.A OD2 no hydrogen 2.641 N/A ALA 316.A N ASN 59.A O no hydrogen 3.214 N/A ASP 317.A N THR 314.A O no hydrogen 3.076 N/A ASP 317.A N THR 314.A OG1 no hydrogen 2.940 N/A LEU 318.A N THR 314.A O no hydrogen 3.312 N/A ALA 319.A N ALA 315.A O no hydrogen 2.889 N/A ARG 320.A N ALA 316.A O no hydrogen 2.857 N/A ARG 320.A NH2 ASP 317.A OD1 no hydrogen 2.878 N/A ARG 321.A N ASP 317.A O no hydrogen 2.886 N/A ARG 321.A NE GLU 275.A OE2 no hydrogen 3.197 N/A ARG 321.A NH1 GLU 308.A OE2 no hydrogen 2.304 N/A ARG 321.A NH2 GLU 275.A OE1 no hydrogen 2.838 N/A PHE 322.A N LEU 318.A O no hydrogen 3.037 N/A PHE 322.A N ALA 319.A O no hydrogen 3.213 N/A PHE 323.A N ALA 319.A O no hydrogen 3.086 N/A ALA 324.A N ARG 320.A O no hydrogen 3.019 N/A PHE 325.A N ARG 321.A O no hydrogen 2.863 N/A LEU 326.A N PHE 322.A O no hydrogen 2.705 N/A ASN 327.A N PHE 323.A O no hydrogen 2.749 N/A ASN 327.A ND2 THR 135.A OG1 no hydrogen 3.065 N/A GLU 328.A N ALA 324.A O no hydrogen 3.169 N/A ARG 329.A N PHE 325.A O no hydrogen 2.660 N/A ARG 329.A NH1 LYS 271.A O no hydrogen 3.140 N/A MET 330.A N LEU 326.A O no hydrogen 2.741 N/A LEU 332.A N ARG 329.A O no hydrogen 3.211 N/A VAL 333.A N MET 330.A O no hydrogen 3.215 N/A