Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f4d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N VAL 10.A O no hydrogen 2.887 N/A THR 5.A N GLY 8.A O no hydrogen 3.059 N/A THR 5.A OG1 GLY 8.A O no hydrogen 2.643 N/A VAL 6.A N ILE 90.A O no hydrogen 2.854 N/A LEU 7.A N THR 5.A OG1 no hydrogen 3.204 N/A GLY 8.A N THR 5.A O no hydrogen 2.855 N/A VAL 10.A N VAL 3.A O no hydrogen 2.942 N/A VAL 12.A N LYS 1.A O no hydrogen 2.748 N/A GLN 14.A N PRO 11.A O no hydrogen 2.676 N/A LEU 15.A N VAL 12.A O no hydrogen 3.243 N/A LYS 17.A NZ HIS 59.A O no hydrogen 2.691 N/A THR 18.A N PHE 313.A O no hydrogen 2.799 N/A THR 18.A OG1 GLY 16.A O no hydrogen 2.917 N/A LEU 19.A N THR 63.A O no hydrogen 3.032 N/A HIS 21.A N SER 261.A OG no hydrogen 2.852 N/A HIS 21.A NE2 HIS 23.A NE2 no hydrogen 3.135 N/A GLU 22.A N VAL 65.A O no hydrogen 3.164 N/A HIS 23.A N THR 264.A O no hydrogen 2.807 N/A HIS 23.A ND1 THR 68.A OG1 no hydrogen 2.696 N/A HIS 23.A NE2 HIS 21.A NE2 no hydrogen 3.135 N/A PHE 24.A N ASP 66.A OD2 no hydrogen 2.835 N/A PHE 26.A N VAL 267.A O no hydrogen 3.116 N/A GLY 27.A N CYS 72.A O no hydrogen 2.845 N/A GLY 30.A N GLN 32.A OE1 no hydrogen 2.800 N/A PHE 31.A N TYR 28.A O no hydrogen 3.060 N/A GLN 32.A N GLN 32.A OE1 no hydrogen 3.001 N/A GLY 33.A N GLY 30.A O no hydrogen 3.121 N/A ASP 34.A N PHE 31.A O no hydrogen 2.966 N/A GLY 38.A N ASP 34.A O no hydrogen 2.736 N/A THR 39.A OG1 VAL 35.A O no hydrogen 3.321 N/A GLU 42.A N PHE 40.A O no hydrogen 3.022 N/A ALA 45.A N ARG 41.A O no hydrogen 2.901 N/A LEU 46.A N GLU 42.A O no hydrogen 2.946 N/A ARG 47.A N ASP 43.A O no hydrogen 2.972 N/A VAL 48.A N GLU 44.A O no hydrogen 2.902 N/A ALA 49.A N ALA 45.A O no hydrogen 2.640 N/A VAL 50.A N LEU 46.A O no hydrogen 2.787 N/A GLU 51.A N ARG 47.A O no hydrogen 2.968 N/A ALA 52.A N VAL 48.A O no hydrogen 3.052 N/A ALA 53.A N ALA 49.A O no hydrogen 2.870 N/A GLU 54.A N VAL 50.A O no hydrogen 2.918 N/A LYS 55.A N GLU 51.A O no hydrogen 2.821 N/A MET 56.A N ALA 52.A O no hydrogen 3.031 N/A MET 56.A N ALA 53.A O no hydrogen 3.130 N/A LYS 57.A N ALA 53.A O no hydrogen 3.021 N/A LYS 57.A NZ THR 86.A O no hydrogen 2.741 N/A ARG 58.A N GLU 54.A O no hydrogen 3.129 N/A HIS 59.A N MET 56.A O no hydrogen 2.889 N/A HIS 59.A NE2 GLU 289.A OE1 no hydrogen 2.601 N/A GLY 60.A N LYS 57.A O no hydrogen 3.117 N/A ILE 61.A N MET 56.A O no hydrogen 3.075 N/A GLN 62.A N LYS 17.A O no hydrogen 2.945 N/A THR 63.A N LYS 17.A O no hydrogen 3.167 N/A THR 63.A OG1 LEU 15.A O no hydrogen 2.625 N/A VAL 64.A N ASN 89.A O no hydrogen 2.875 N/A VAL 65.A N LEU 19.A O no hydrogen 3.076 N/A ASP 66.A N ILE 91.A O no hydrogen 2.819 N/A THR 68.A N ASP 66.A OD1 no hydrogen 3.262 N/A THR 68.A OG1 HIS 23.A ND1 no hydrogen 2.696 N/A THR 68.A OG1 LEU 25.A O no hydrogen 3.201 N/A THR 68.A OG1 ASP 66.A OD1 no hydrogen 2.579 N/A ASN 70.A N GLY 95.A O no hydrogen 2.625 N/A ASN 70.A ND2 GLU 127.A OE1 no hydrogen 3.219 N/A CYS 72.A N PRO 69.A O no hydrogen 2.944 N/A CYS 72.A SG ASP 71.A OD1 no hydrogen 3.812 N/A ARG 74.A NH1 ALA 93.A O no hydrogen 2.895 N/A ARG 74.A NH1 GLU 127.A OE1 no hydrogen 3.031 N/A ARG 74.A NH1 GLU 127.A OE2 no hydrogen 3.219 N/A ARG 74.A NH2 GLU 127.A OE2 no hydrogen 2.746 N/A PHE 78.A N ASN 75.A OD1 no hydrogen 3.052 N/A LEU 79.A N ASN 75.A O no hydrogen 2.943 N/A ARG 80.A N PRO 76.A O no hydrogen 2.677 N/A ARG 80.A NH2 THR 135.A O no hydrogen 2.759 N/A ARG 81.A N ALA 77.A O no hydrogen 3.204 N/A ARG 81.A NH2 GLU 42.A OE2 no hydrogen 2.672 N/A VAL 82.A N PHE 78.A O no hydrogen 3.196 N/A ALA 83.A N LEU 79.A O no hydrogen 2.874 N/A GLU 84.A N ARG 80.A O no hydrogen 2.738 N/A GLU 85.A N ARG 81.A O no hydrogen 3.194 N/A THR 86.A N ALA 83.A O no hydrogen 3.407 N/A THR 86.A OG1 VAL 82.A O no hydrogen 2.695 N/A GLY 87.A N ALA 83.A O no hydrogen 2.900 N/A LEU 88.A N THR 86.A OG1 no hydrogen 3.361 N/A ASN 89.A N GLN 62.A O no hydrogen 2.804 N/A ASN 89.A ND2 THR 63.A OG1 no hydrogen 3.114 N/A ILE 91.A N VAL 64.A O no hydrogen 2.957 N/A CYS 92.A SG LYS 138.A O no hydrogen 3.980 N/A THR 94.A N VAL 141.A O no hydrogen 3.079 N/A THR 94.A OG1 GLU 127.A OE1 no hydrogen 2.347 N/A GLY 95.A N ASN 70.A OD1 no hydrogen 2.825 N/A TYR 97.A N ASP 71.A OD1 no hydrogen 3.050 N/A GLU 99.A N GLU 154.A OE2 no hydrogen 3.002 N/A ALA 103.A N ASP 71.A OD2 no hydrogen 2.837 N/A GLN 108.A N PRO 104.A O no hydrogen 2.919 N/A PHE 109.A N PRO 105.A O no hydrogen 3.051 N/A ARG 110.A N TYR 106.A O no hydrogen 3.347 N/A ARG 110.A NE ASP 119.A OD2 no hydrogen 3.053 N/A ARG 111.A N GLN 108.A O no hydrogen 3.110 N/A ARG 111.A NH1 GLN 108.A OE1 no hydrogen 3.206 N/A LEU 112.A N PHE 109.A O no hydrogen 2.855 N/A LEU 113.A N PHE 109.A O no hydrogen 3.366 N/A GLY 114.A N ARG 111.A O no hydrogen 3.151 N/A THR 115.A N ARG 110.A O no hydrogen 3.016 N/A THR 115.A OG1 ASP 119.A OD2 no hydrogen 2.868 N/A ALA 116.A N ARG 110.A O no hydrogen 3.215 N/A ASP 119.A N THR 115.A O no hydrogen 2.870 N/A ILE 120.A N ALA 116.A O no hydrogen 2.763 N/A TYR 121.A N GLU 117.A O no hydrogen 3.010 N/A ASP 122.A N ASP 118.A O no hydrogen 2.889 N/A MET 123.A N ASP 119.A O no hydrogen 2.879 N/A PHE 124.A N ILE 120.A O no hydrogen 2.796 N/A MET 125.A N TYR 121.A O no hydrogen 2.935 N/A ALA 126.A N ASP 122.A O no hydrogen 3.062 N/A GLU 127.A N MET 123.A O no hydrogen 2.972 N/A LEU 128.A N PHE 124.A O no hydrogen 2.850 N/A THR 129.A N MET 125.A O no hydrogen 2.820 N/A THR 129.A OG1 MET 125.A O no hydrogen 2.931 N/A GLU 130.A N ALA 126.A O no hydrogen 2.863 N/A GLY 131.A N ALA 126.A O no hydrogen 3.012 N/A ILE 132.A N ILE 137.A O no hydrogen 2.692 N/A THR 135.A N ILE 132.A O no hydrogen 3.002 N/A LYS 138.A NZ THR 129.A O no hydrogen 3.123 N/A ALA 139.A N GLU 127.A O no hydrogen 2.853 N/A GLY 140.A N CYS 92.A O no hydrogen 3.012 N/A VAL 141.A N CYS 92.A O no hydrogen 3.378 N/A ILE 142.A N VAL 171.A O no hydrogen 2.774 N/A SER 145.A N HIS 175.A O no hydrogen 3.161 N/A SER 146.A N ARG 149.A O no hydrogen 3.012 N/A SER 146.A N GLU 154.A OE1 no hydrogen 3.136 N/A SER 146.A OG GLU 154.A OE2 no hydrogen 2.726 N/A GLY 148.A N THR 180.A OG1 no hydrogen 2.768 N/A ARG 149.A N SER 146.A O no hydrogen 3.509 N/A THR 151.A N GLU 154.A OE1 no hydrogen 2.736 N/A THR 151.A OG1 GLU 99.A OE1 no hydrogen 2.966 N/A GLU 154.A N THR 151.A OG1 no hydrogen 3.060 N/A LYS 155.A N THR 151.A O no hydrogen 2.931 N/A LYS 155.A NZ ILE 150.A O no hydrogen 3.246 N/A LYS 155.A NZ GLU 152.A OE1 no hydrogen 3.127 N/A MET 156.A N TYR 153.A O no hydrogen 3.345 N/A PHE 158.A N GLU 154.A O no hydrogen 3.056 N/A ARG 159.A N LYS 155.A O no hydrogen 2.821 N/A ARG 159.A NE GLU 117.A OE1 no hydrogen 2.709 N/A ARG 159.A NH1 TYR 188.A OH no hydrogen 2.860 N/A ALA 160.A N MET 156.A O no hydrogen 3.019 N/A ALA 161.A N PHE 157.A O no hydrogen 2.844 N/A ALA 162.A N PHE 158.A O no hydrogen 2.906 N/A ARG 163.A N ARG 159.A O no hydrogen 3.089 N/A ARG 163.A NH2 ASP 118.A OD1 no hydrogen 2.766 N/A ALA 164.A N ALA 160.A O no hydrogen 2.840 N/A GLN 165.A N ALA 161.A O no hydrogen 2.805 N/A GLN 165.A NE2 ALA 170.A O no hydrogen 2.702 N/A GLN 165.A NE2 LYS 198.A O no hydrogen 3.222 N/A LYS 166.A N ALA 162.A O no hydrogen 2.844 N/A GLU 167.A N ARG 163.A O no hydrogen 3.205 N/A THR 168.A N ALA 164.A O no hydrogen 2.976 N/A THR 168.A OG1 ALA 164.A O no hydrogen 2.614 N/A GLY 169.A N GLN 165.A O no hydrogen 2.640 N/A ALA 170.A N THR 168.A OG1 no hydrogen 3.208 N/A ILE 172.A N LYS 198.A O no hydrogen 2.801 N/A ILE 173.A N ILE 142.A O no hydrogen 2.843 N/A THR 174.A N VAL 200.A O no hydrogen 2.748 N/A THR 174.A OG1 GLN 185.A OE1 no hydrogen 2.582 N/A THR 174.A OG1 VAL 200.A O no hydrogen 3.488 N/A HIS 175.A N LEU 143.A O no hydrogen 2.845 N/A HIS 175.A NE2 GLN 177.A OE1 no hydrogen 2.684 N/A THR 176.A OG1 GLY 202.A O no hydrogen 2.732 N/A THR 180.A N GLN 177.A O no hydrogen 3.258 N/A THR 180.A OG1 GLN 177.A O no hydrogen 2.963 N/A GLY 182.A N TYR 212.A OH no hydrogen 2.904 N/A GLU 184.A N GLU 184.A OE2 no hydrogen 2.797 N/A GLN 185.A N MET 181.A O no hydrogen 2.790 N/A GLN 185.A NE2 SER 145.A OG no hydrogen 2.810 N/A GLN 185.A NE2 HIS 175.A O no hydrogen 3.036 N/A ALA 186.A N GLY 182.A O no hydrogen 3.197 N/A ALA 187.A N PRO 183.A O no hydrogen 2.928 N/A TYR 188.A N GLU 184.A O no hydrogen 2.924 N/A LEU 189.A N GLN 185.A O no hydrogen 2.939 N/A LEU 190.A N ALA 186.A O no hydrogen 2.807 N/A GLU 191.A N ALA 187.A O no hydrogen 2.705 N/A HIS 192.A N LEU 189.A O no hydrogen 3.287 N/A GLY 193.A N LEU 190.A O no hydrogen 2.794 N/A ALA 194.A N LEU 189.A O no hydrogen 2.973 N/A ASP 195.A N GLN 165.A OE1 no hydrogen 2.632 N/A LYS 197.A N ASP 195.A OD1 no hydrogen 2.888 N/A LYS 197.A NZ GLY 220.A O no hydrogen 3.306 N/A LYS 198.A N ASP 195.A O no hydrogen 2.715 N/A ILE 199.A N PRO 196.A O no hydrogen 3.355 N/A VAL 200.A N ILE 172.A O no hydrogen 2.865 N/A ILE 201.A N TYR 222.A O no hydrogen 3.048 N/A GLY 202.A N THR 174.A OG1 no hydrogen 3.029 N/A HIS 203.A N ASP 226.A OD1 no hydrogen 3.168 N/A HIS 203.A N ASP 226.A OD2 no hydrogen 3.098 N/A HIS 203.A ND1 ASP 226.A OD1 no hydrogen 2.577 N/A HIS 203.A ND1 ASP 226.A OD2 no hydrogen 3.149 N/A MET 204.A N ALA 224.A O no hydrogen 3.107 N/A GLY 206.A N HIS 203.A O no hydrogen 2.875 N/A ASN 207.A N MET 204.A O no hydrogen 2.964 N/A ASN 207.A ND2 GLY 179.A O no hydrogen 3.011 N/A THR 208.A OG1 THR 245.A OG1 no hydrogen 3.337 N/A ASP 209.A N ASN 207.A OD1 no hydrogen 2.892 N/A ASP 211.A N ASP 209.A OD1 no hydrogen 3.243 N/A TYR 212.A N ASP 209.A O no hydrogen 2.741 N/A HIS 213.A ND1 ASP 209.A O no hydrogen 3.123 N/A HIS 213.A NE2 MET 204.A O no hydrogen 3.101 N/A ARG 214.A N PRO 210.A O no hydrogen 2.848 N/A ARG 214.A NE ASP 252.A OD2 no hydrogen 2.612 N/A ARG 214.A NH2 ASP 252.A OD2 no hydrogen 2.607 N/A LYS 215.A N ASP 211.A O no hydrogen 2.990 N/A THR 216.A N TYR 212.A O no hydrogen 3.081 N/A THR 216.A N HIS 213.A O no hydrogen 2.969 N/A THR 216.A OG1 TYR 212.A O no hydrogen 2.927 N/A LEU 217.A N HIS 213.A O no hydrogen 2.763 N/A ALA 218.A N ARG 214.A O no hydrogen 3.015 N/A TYR 219.A N THR 216.A O no hydrogen 3.132 N/A GLY 220.A N LEU 217.A O no hydrogen 2.925 N/A TYR 222.A N ILE 199.A O no hydrogen 2.945 N/A ILE 223.A N GLN 257.A O no hydrogen 2.742 N/A ALA 224.A N ILE 201.A O no hydrogen 3.015 N/A PHE 225.A N MET 259.A O no hydrogen 2.804 N/A ARG 227.A NH1 HIS 203.A NE2 no hydrogen 3.473 N/A PHE 228.A N SER 261.A O no hydrogen 3.408 N/A GLY 229.A N ASP 239.A OD1 no hydrogen 2.907 N/A ILE 230.A N ARG 227.A O no hydrogen 2.849 N/A GLN 231.A NE2 MET 282.A O no hydrogen 3.086 N/A ALA 236.A N MET 233.A O no hydrogen 3.411 N/A THR 238.A N GLU 241.A OE1 no hydrogen 3.274 N/A ASP 239.A N GLN 231.A OE1 no hydrogen 2.794 N/A GLU 241.A N THR 238.A OG1 no hydrogen 3.308 N/A ARG 242.A N THR 238.A O no hydrogen 2.885 N/A ARG 242.A NH1 ILE 230.A O no hydrogen 3.061 N/A ARG 242.A NH1 ASP 239.A OD1 no hydrogen 2.851 N/A ARG 242.A NH2 ILE 230.A O no hydrogen 2.969 N/A VAL 243.A N ASP 239.A O no hydrogen 2.935 N/A ARG 244.A N GLU 240.A O no hydrogen 3.000 N/A THR 245.A N GLU 241.A O no hydrogen 2.981 N/A THR 245.A OG1 GLU 241.A O no hydrogen 2.873 N/A LEU 246.A N ARG 242.A O no hydrogen 2.770 N/A LEU 247.A N VAL 243.A O no hydrogen 2.582 N/A ALA 248.A N ARG 244.A O no hydrogen 2.928 N/A LEU 249.A N THR 245.A O no hydrogen 3.212 N/A LEU 249.A N LEU 246.A O no hydrogen 2.984 N/A LEU 250.A N LEU 246.A O no hydrogen 2.869 N/A ARG 251.A N LEU 247.A O no hydrogen 3.063 N/A ARG 251.A NH2 GLU 302.A O no hydrogen 3.340 N/A ARG 251.A NH2 GLU 302.A OE2 no hydrogen 3.118 N/A ASP 252.A N LEU 249.A O no hydrogen 3.061 N/A GLY 253.A N LEU 250.A O no hydrogen 3.010 N/A TYR 254.A N LEU 249.A O no hydrogen 3.158 N/A GLN 257.A N TYR 254.A O no hydrogen 2.949 N/A GLN 257.A NE2 LEU 217.A O no hydrogen 2.992 N/A GLN 257.A NE2 VAL 221.A O no hydrogen 2.686 N/A MET 259.A N ILE 223.A O no hydrogen 3.075 N/A SER 261.A N PHE 225.A O no hydrogen 3.118 N/A SER 261.A OG HIS 21.A O no hydrogen 2.944 N/A SER 261.A OG GLU 22.A OE2 no hydrogen 2.892 N/A HIS 262.A N GLU 22.A OE2 no hydrogen 2.665 N/A HIS 262.A ND1 GLU 22.A OE2 no hydrogen 2.961 N/A ASP 263.A N HIS 21.A O no hydrogen 2.940 N/A THR 264.A N GLU 22.A OE1 no hydrogen 2.838 N/A THR 264.A OG1 GLU 22.A OE1 no hydrogen 2.765 N/A ASN 266.A N HIS 23.A O no hydrogen 2.958 N/A ASN 266.A ND2 HIS 23.A O no hydrogen 2.880 N/A ASN 266.A ND2 THR 264.A OG1 no hydrogen 3.102 N/A VAL 267.A N PHE 24.A O no hydrogen 2.914 N/A LEU 269.A N PHE 26.A O no hydrogen 2.614 N/A ARG 271.A NE ASP 34.A OD2 no hydrogen 2.940 N/A ARG 271.A NH2 ASP 34.A OD1 no hydrogen 2.662 N/A ARG 271.A NH2 ASP 34.A OD2 no hydrogen 3.354 N/A ALA 280.A N PRO 276.A O no hydrogen 3.038 N/A GLU 281.A N GLU 277.A O no hydrogen 3.298 N/A MET 283.A N PHE 279.A O no hydrogen 3.014 N/A LYS 284.A N GLU 281.A O no hydrogen 3.182 N/A LYS 284.A NZ ASN 285.A OD1 no hydrogen 3.373 N/A TRP 286.A N MET 283.A O no hydrogen 2.793 N/A TRP 286.A NE1 HIS 262.A O no hydrogen 3.027 N/A HIS 287.A N ASN 285.A O no hydrogen 3.015 N/A GLU 289.A N HIS 287.A ND1 no hydrogen 3.087 N/A HIS 290.A N HIS 287.A O no hydrogen 3.129 N/A HIS 290.A NE2 ASP 239.A OD2 no hydrogen 2.644 N/A LEU 291.A N HIS 262.A NE2 no hydrogen 2.722 N/A VAL 293.A N GLU 289.A O no hydrogen 2.964 N/A VAL 293.A N HIS 290.A O no hydrogen 3.302 N/A ASN 294.A N HIS 290.A O no hydrogen 2.918 N/A ASN 294.A ND2 HIS 290.A ND1 no hydrogen 2.843 N/A ILE 295.A N HIS 290.A O no hydrogen 3.364 N/A ILE 296.A N LEU 291.A O no hydrogen 2.844 N/A LEU 299.A N ILE 295.A O no hydrogen 2.938 N/A LYS 300.A N ILE 296.A O no hydrogen 2.981 N/A LYS 300.A NZ ASP 306.A OD2 no hydrogen 2.617 N/A ASN 301.A N PRO 297.A O no hydrogen 3.165 N/A GLU 302.A N ALA 298.A O no hydrogen 3.261 N/A GLY 303.A N LYS 300.A O no hydrogen 2.728 N/A ILE 304.A N LEU 299.A O no hydrogen 2.969 N/A VAL 308.A N ARG 305.A O no hydrogen 2.830 N/A LEU 309.A N ARG 305.A O no hydrogen 3.397 N/A GLU 310.A N ASP 306.A O no hydrogen 3.014 N/A GLN 311.A N GLU 307.A O no hydrogen 3.061 N/A GLN 311.A NE2 ASN 316.A OD1 no hydrogen 3.068 N/A MET 312.A N VAL 308.A O no hydrogen 3.133 N/A PHE 313.A N LEU 309.A O no hydrogen 3.071 N/A ILE 314.A N GLU 310.A O no hydrogen 2.826 N/A GLY 315.A N GLU 310.A O no hydrogen 3.040 N/A ASN 316.A N GLN 311.A O no hydrogen 2.663 N/A ASN 316.A ND2 GLU 255.A O no hydrogen 2.904 N/A ASN 316.A ND2 ILE 258.A O no hydrogen 2.921 N/A ALA 318.A N ILE 314.A O no hydrogen 3.146 N/A ALA 319.A N GLY 315.A O no hydrogen 2.963 N/A LEU 320.A N ASN 316.A O no hydrogen 2.756 N/A PHE 321.A N PRO 317.A O no hydrogen 2.970 N/A SER 322.A N ALA 319.A O no hydrogen 2.960 N/A SER 322.A OG ALA 318.A O no hydrogen 2.864 N/A SER 322.A OG ALA 319.A O no hydrogen 3.324 N/A