Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mi9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG CYS 6.A O no hydrogen 3.639 N/A CYS 6.A SG ILE 77.A O no hydrogen 3.471 N/A VAL 9.A N ARG 79.A O no hydrogen 2.724 N/A LYS 11.A N GLU 8.A O no hydrogen 3.252 N/A LYS 11.A NZ ASP 7.A OD2 no hydrogen 2.830 N/A LYS 11.A NZ GLU 76.A OE1 no hydrogen 2.869 N/A LYS 11.A NZ GLU 76.A OE2 no hydrogen 3.047 N/A TYR 12.A N VAL 9.A O no hydrogen 2.802 N/A TYR 12.A OH GLU 76.A OE2 no hydrogen 2.480 N/A GLU 13.A N ARG 30.A O no hydrogen 2.960 N/A LYS 14.A NZ TYR 85.A OH no hydrogen 3.211 N/A LEU 15.A N LYS 28.A O no hydrogen 2.748 N/A ALA 16.A N LYS 28.A O no hydrogen 3.273 N/A LYS 17.A NZ GLN 20.A OE1 no hydrogen 3.398 N/A ILE 18.A N VAL 26.A O no hydrogen 2.963 N/A PHE 27.A N LEU 40.A O no hydrogen 2.903 N/A LYS 28.A N ALA 16.A O no hydrogen 2.682 N/A ALA 29.A N VAL 38.A O no hydrogen 2.955 N/A ARG 30.A N GLU 13.A O no hydrogen 3.129 N/A HIS 31.A N GLN 36.A O no hydrogen 3.014 N/A ARG 32.A N LYS 11.A O no hydrogen 3.056 N/A ARG 32.A NE SER 10.A O no hydrogen 2.703 N/A ARG 32.A NH2 TYR 12.A O no hydrogen 3.490 N/A LYS 33.A N HIS 31.A ND1 no hydrogen 3.117 N/A THR 34.A N HIS 31.A ND1 no hydrogen 3.251 N/A GLY 35.A N HIS 31.A O no hydrogen 2.745 N/A GLN 36.A N THR 34.A OG1 no hydrogen 3.263 N/A VAL 38.A N ALA 29.A O no hydrogen 2.901 N/A ALA 39.A N PHE 88.A O no hydrogen 2.882 N/A LEU 40.A N PHE 27.A O no hydrogen 2.758 N/A LYS 41.A N LEU 86.A O no hydrogen 2.822 N/A LYS 41.A NZ GLU 59.A OE1 no hydrogen 3.505 N/A LYS 41.A NZ GLU 59.A OE2 no hydrogen 2.661 N/A LYS 41.A NZ ASP 152.A OD1 no hydrogen 3.454 N/A LYS 42.A N GLU 25.A O no hydrogen 2.964 N/A VAL 43.A N ILE 84.A O no hydrogen 2.861 N/A LEU 57.A N PRO 53.A O no hydrogen 2.939 N/A ARG 58.A N ILE 54.A O no hydrogen 2.903 N/A GLU 59.A N THR 55.A O no hydrogen 3.148 N/A ILE 60.A N ALA 56.A O no hydrogen 2.885 N/A LYS 61.A N LEU 57.A O no hydrogen 2.933 N/A ILE 62.A N ARG 58.A O no hydrogen 2.854 N/A LEU 63.A N GLU 59.A O no hydrogen 2.682 N/A GLN 64.A N ILE 60.A O no hydrogen 2.868 N/A LEU 65.A N LYS 61.A O no hydrogen 3.039 N/A LEU 65.A N ILE 62.A O no hydrogen 3.036 N/A LEU 66.A N ILE 62.A O no hydrogen 2.872 N/A LYS 67.A N TYR 124.A OH no hydrogen 2.804 N/A LYS 67.A NZ LEU 63.A O no hydrogen 3.490 N/A LYS 67.A NZ ASN 73.A OD1 no hydrogen 3.121 N/A LYS 67.A NZ LEU 74.A O no hydrogen 3.048 N/A ASN 70.A N HIS 68.A ND1 no hydrogen 2.739 N/A ASN 70.A ND2 LEU 148.A O no hydrogen 3.182 N/A VAL 71.A N HIS 68.A O no hydrogen 2.963 N/A VAL 72.A N LEU 150.A O no hydrogen 2.818 N/A ASN 73.A ND2 ASP 89.A OD2 no hydrogen 2.661 N/A ILE 75.A N VAL 87.A O no hydrogen 2.809 N/A CYS 78.A N TYR 85.A O no hydrogen 2.802 N/A ARG 79.A N ASP 7.A O no hydrogen 2.901 N/A ARG 79.A NE CYS 6.A O no hydrogen 3.241 N/A THR 80.A N SER 83.A O no hydrogen 3.110 N/A THR 80.A OG1 SER 83.A O no hydrogen 3.391 N/A SER 83.A N THR 80.A OG1 no hydrogen 2.826 N/A TYR 85.A N CYS 78.A O no hydrogen 2.786 N/A LEU 86.A N LYS 41.A O no hydrogen 2.878 N/A VAL 87.A N GLU 76.A O no hydrogen 2.940 N/A PHE 88.A N ALA 39.A O no hydrogen 2.866 N/A ASP 89.A N ASN 73.A O no hydrogen 3.020 N/A PHE 90.A N LYS 37.A O no hydrogen 3.273 N/A CYS 91.A SG ASP 89.A O no hydrogen 4.007 N/A HIS 93.A N ILE 142.A O no hydrogen 2.931 N/A LEU 95.A N VAL 140.A O no hydrogen 2.714 N/A ALA 96.A N ALA 137.A O no hydrogen 3.159 N/A GLY 97.A N ASP 94.A OD2 no hydrogen 2.937 N/A LEU 98.A N ASP 94.A O no hydrogen 3.167 N/A LEU 99.A N LEU 95.A O no hydrogen 2.873 N/A SER 100.A N ALA 96.A O no hydrogen 3.020 N/A SER 100.A OG ALA 96.A O no hydrogen 3.020 N/A ASN 101.A N GLY 97.A O no hydrogen 3.200 N/A ASN 101.A ND2 TYR 322.A OH no hydrogen 3.281 N/A VAL 102.A N SER 100.A O no hydrogen 2.743 N/A LEU 103.A N ASN 101.A OD1 no hydrogen 3.055 N/A VAL 104.A N ASN 101.A O no hydrogen 2.817 N/A LYS 105.A N THR 314.A OG1 no hydrogen 2.995 N/A LYS 105.A NZ VAL 102.A O no hydrogen 2.956 N/A THR 107.A N GLU 110.A OE1 no hydrogen 2.576 N/A SER 109.A OG MET 304.A O no hydrogen 2.583 N/A SER 109.A OG SER 306.A OG no hydrogen 2.544 N/A GLU 110.A N THR 107.A OG1 no hydrogen 3.098 N/A ILE 111.A N THR 107.A O no hydrogen 2.932 N/A LYS 112.A N LEU 108.A O no hydrogen 2.979 N/A LYS 112.A NZ PHE 298.A O no hydrogen 2.586 N/A LYS 112.A NZ SER 301.A O no hydrogen 2.741 N/A LYS 112.A NZ PRO 303.A O no hydrogen 2.815 N/A ARG 113.A N SER 109.A O no hydrogen 3.159 N/A ARG 113.A NH1 GLN 116.A OE1 no hydrogen 3.005 N/A VAL 114.A N GLU 110.A O no hydrogen 2.903 N/A MET 115.A N ILE 111.A O no hydrogen 2.929 N/A GLN 116.A N LYS 112.A O no hydrogen 2.866 N/A MET 117.A N ARG 113.A O no hydrogen 3.121 N/A LEU 118.A N VAL 114.A O no hydrogen 3.132 N/A LEU 119.A N MET 115.A O no hydrogen 2.892 N/A ASN 120.A N GLN 116.A O no hydrogen 2.902 N/A ASN 120.A ND2 ASN 70.A OD1 no hydrogen 3.379 N/A GLY 121.A N MET 117.A O no hydrogen 2.793 N/A LEU 122.A N LEU 118.A O no hydrogen 2.927 N/A TYR 123.A N LEU 119.A O no hydrogen 2.966 N/A TYR 124.A N ASN 120.A O no hydrogen 3.179 N/A ILE 125.A N GLY 121.A O no hydrogen 3.078 N/A HIS 126.A N LEU 122.A O no hydrogen 2.987 N/A HIS 126.A NE2 ASP 195.A OD2 no hydrogen 2.797 N/A ARG 127.A N TYR 123.A O no hydrogen 2.756 N/A ASN 128.A N TYR 124.A O no hydrogen 3.103 N/A ASN 128.A ND2 TYR 124.A O no hydrogen 3.009 N/A LYS 129.A N HIS 126.A O no hydrogen 2.779 N/A ILE 130.A N ILE 125.A O no hydrogen 2.925 N/A LEU 131.A N ARG 157.A O no hydrogen 2.904 N/A HIS 132.A N ASP 195.A OD2 no hydrogen 2.808 N/A HIS 132.A NE2 ALA 151.A O no hydrogen 2.863 N/A ARG 133.A N ASP 195.A OD1 no hydrogen 3.086 N/A ARG 133.A NE LEU 155.A O no hydrogen 2.808 N/A ARG 133.A NH1 TYR 190.A OH no hydrogen 2.733 N/A ARG 133.A NH2 LEU 155.A O no hydrogen 3.239 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 2.928 N/A ALA 137.A N TYR 178.A OH no hydrogen 3.406 N/A ASN 139.A N LYS 136.A O no hydrogen 2.972 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.740 N/A ASN 139.A ND2 ASP 134.A OD2 no hydrogen 2.629 N/A VAL 140.A N ALA 137.A O no hydrogen 3.261 N/A LEU 141.A N LYS 149.A O no hydrogen 2.883 N/A ILE 142.A N HIS 93.A O no hydrogen 2.637 N/A THR 143.A N VAL 147.A O no hydrogen 2.960 N/A THR 143.A OG1 VAL 147.A O no hydrogen 3.520 N/A GLY 146.A N THR 143.A O no hydrogen 2.721 N/A VAL 147.A N THR 143.A OG1 no hydrogen 2.949 N/A LYS 149.A N LEU 141.A O no hydrogen 2.799 N/A LYS 149.A NZ GLU 69.A O no hydrogen 2.922 N/A LEU 150.A N ASN 70.A O no hydrogen 2.840 N/A ALA 151.A N ASN 139.A O no hydrogen 2.950 N/A GLY 154.A N ASP 152.A OD1 no hydrogen 3.366 N/A ALA 156.A N PHE 153.A O no hydrogen 3.109 N/A ARG 157.A N LEU 131.A O no hydrogen 3.274 N/A ARG 157.A NE ALA 158.A O no hydrogen 2.807 N/A ARG 157.A NH1 ALA 158.A O no hydrogen 3.402 N/A PHE 159.A N LYS 129.A O no hydrogen 2.852 N/A SER 160.A N TYR 170.A OH no hydrogen 2.806 N/A ASN 168.A N ASP 189.A OD2 no hydrogen 3.379 N/A TYR 170.A N ARG 188.A O no hydrogen 2.636 N/A ASN 171.A ND2 LEU 183.A O no hydrogen 2.996 N/A ASN 171.A ND2 GLU 187.A O no hydrogen 2.763 N/A VAL 173.A N ASN 171.A O no hydrogen 2.890 N/A TRP 177.A NE1 GLY 215.A O no hydrogen 2.905 N/A TYR 178.A N THR 175.A O no hydrogen 2.907 N/A TYR 178.A OH GLU 205.A OE1 no hydrogen 2.419 N/A TYR 178.A OH GLU 205.A OE2 no hydrogen 3.417 N/A ARG 179.A N LEU 176.A O no hydrogen 3.018 N/A ARG 179.A NE VAL 174.A O no hydrogen 2.949 N/A ARG 179.A NH2 VAL 174.A O no hydrogen 2.936 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.953 N/A LEU 183.A N PRO 180.A O no hydrogen 3.212 N/A LEU 184.A N PRO 180.A O no hydrogen 3.465 N/A LEU 185.A N PRO 181.A O no hydrogen 2.956 N/A LEU 185.A N GLU 182.A O no hydrogen 3.259 N/A GLY 186.A N LEU 183.A O no hydrogen 2.974 N/A GLU 187.A N GLU 182.A O no hydrogen 3.025 N/A ARG 188.A N GLU 187.A OE1 no hydrogen 3.135 N/A ASP 189.A N GLU 187.A OE1 no hydrogen 2.862 N/A ILE 194.A N GLY 191.A O no hydrogen 3.130 N/A ASP 195.A N PRO 192.A O no hydrogen 3.005 N/A LEU 196.A N PRO 192.A O no hydrogen 3.396 N/A TRP 197.A N PRO 193.A O no hydrogen 3.025 N/A ALA 199.A N ASP 195.A O no hydrogen 2.933 N/A GLY 200.A N LEU 196.A O no hydrogen 2.864 N/A GLY 200.A N TRP 197.A O no hydrogen 2.783 N/A CYS 201.A N TRP 197.A O no hydrogen 2.957 N/A CYS 201.A SG TRP 197.A O no hydrogen 3.709 N/A ILE 202.A N GLY 198.A O no hydrogen 2.926 N/A MET 203.A N ALA 199.A O no hydrogen 2.962 N/A ALA 204.A N GLY 200.A O no hydrogen 3.083 N/A GLU 205.A N CYS 201.A O no hydrogen 3.265 N/A MET 206.A N ILE 202.A O no hydrogen 3.237 N/A MET 206.A N MET 203.A O no hydrogen 2.957 N/A TRP 207.A N ALA 204.A O no hydrogen 2.904 N/A THR 208.A N ALA 204.A O no hydrogen 3.066 N/A THR 208.A OG1 ALA 204.A O no hydrogen 3.453 N/A THR 208.A OG1 SER 210.A O no hydrogen 2.954 N/A ARG 209.A N GLU 205.A O no hydrogen 2.784 N/A ARG 209.A NH1 LEU 99.A O no hydrogen 3.017 N/A ARG 209.A NH2 VAL 104.A O no hydrogen 2.384 N/A GLN 214.A NE2 PRO 211.A O no hydrogen 2.970 N/A GLY 215.A N GLN 221.A OE1 no hydrogen 2.715 N/A ASN 216.A N HIS 220.A ND1 no hydrogen 2.775 N/A HIS 220.A N THR 217.A OG1 no hydrogen 3.024 N/A GLN 221.A N THR 217.A O no hydrogen 2.697 N/A GLN 221.A NE2 MET 213.A O no hydrogen 3.116 N/A LEU 222.A N GLU 218.A O no hydrogen 3.023 N/A ALA 223.A N GLN 219.A O no hydrogen 3.167 N/A LEU 224.A N HIS 220.A O no hydrogen 3.062 N/A ILE 225.A N GLN 221.A O no hydrogen 3.189 N/A SER 226.A N LEU 222.A O no hydrogen 3.021 N/A SER 226.A OG LEU 222.A O no hydrogen 2.780 N/A GLN 227.A N ALA 223.A O no hydrogen 2.847 N/A LEU 228.A N LEU 224.A O no hydrogen 2.882 N/A CYS 229.A N ILE 225.A O no hydrogen 2.617 N/A CYS 229.A SG LEU 280.A O no hydrogen 3.609 N/A GLY 230.A N SER 226.A O no hydrogen 2.853 N/A SER 231.A N GLN 255.A O no hydrogen 2.926 N/A SER 231.A OG VAL 252.A O no hydrogen 2.616 N/A GLU 235.A N THR 233.A OG1 no hydrogen 3.174 N/A VAL 236.A N THR 233.A O no hydrogen 3.162 N/A TRP 237.A N THR 233.A O no hydrogen 2.983 N/A VAL 240.A N TRP 237.A O no hydrogen 2.972 N/A ASN 242.A N ASN 239.A O no hydrogen 3.170 N/A TYR 243.A N VAL 240.A O no hydrogen 3.336 N/A TYR 243.A OH GLU 187.A OE2 no hydrogen 2.423 N/A TYR 246.A N TYR 243.A O no hydrogen 2.999 N/A TYR 246.A OH ILE 232.A O no hydrogen 2.761 N/A LEU 249.A N GLU 247.A O no hydrogen 2.503 N/A GLN 255.A N SER 231.A OG no hydrogen 2.764 N/A ARG 257.A NE ASP 277.A OD1 no hydrogen 2.767 N/A ARG 257.A NH1 CYS 229.A O no hydrogen 3.188 N/A ARG 257.A NH1 LEU 280.A O no hydrogen 2.903 N/A ARG 257.A NH2 ASP 277.A O no hydrogen 2.660 N/A ARG 257.A NH2 ASP 277.A OD1 no hydrogen 3.068 N/A ARG 257.A NH2 LEU 280.A O no hydrogen 2.391 N/A LYS 258.A N LEU 228.A O no hydrogen 2.937 N/A LYS 258.A NZ GLN 227.A O no hydrogen 3.000 N/A LYS 258.A NZ GLN 255.A OE1 no hydrogen 2.915 N/A ARG 262.A N LYS 258.A O no hydrogen 3.007 N/A LEU 263.A N VAL 259.A O no hydrogen 3.295 N/A LYS 264.A N ASP 261.A O no hydrogen 3.060 N/A LYS 264.A NZ ASP 261.A OD1 no hydrogen 2.846 N/A VAL 267.A N LEU 263.A O no hydrogen 2.747 N/A ASP 269.A N VAL 267.A O no hydrogen 3.171 N/A ALA 272.A N ASP 269.A OD1 no hydrogen 2.807 N/A LEU 273.A N ASP 269.A O no hydrogen 3.156 N/A ASP 274.A N PRO 270.A O no hydrogen 2.849 N/A LEU 275.A N TYR 271.A O no hydrogen 3.011 N/A ILE 276.A N ALA 272.A O no hydrogen 3.182 N/A ASP 277.A N LEU 273.A O no hydrogen 3.069 N/A LYS 278.A N ASP 274.A O no hydrogen 2.881 N/A LYS 278.A NZ ASP 274.A OD1 no hydrogen 3.231 N/A LEU 279.A N LEU 275.A O no hydrogen 2.837 N/A LEU 280.A N ILE 276.A O no hydrogen 2.864 N/A GLN 286.A N ASP 283.A O no hydrogen 2.809 N/A GLN 286.A NE2 VAL 236.A O no hydrogen 3.029 N/A GLN 286.A NE2 ASP 283.A OD2 no hydrogen 2.498 N/A ARG 287.A N ASP 283.A O no hydrogen 3.103 N/A ARG 287.A N PRO 284.A O no hydrogen 3.134 N/A ARG 287.A NE VAL 281.A O no hydrogen 2.862 N/A ARG 287.A NH1 GLU 182.A OE1 no hydrogen 3.279 N/A ARG 287.A NH1 GLU 182.A OE2 no hydrogen 2.875 N/A ARG 287.A NH1 PRO 193.A O no hydrogen 2.837 N/A ARG 287.A NH2 GLU 182.A OE1 no hydrogen 2.472 N/A ARG 287.A NH2 VAL 281.A O no hydrogen 3.321 N/A ARG 287.A NH2 LEU 282.A O no hydrogen 2.948 N/A ILE 288.A N LYS 278.A O no hydrogen 3.221 N/A ASP 292.A N ASP 289.A OD1 no hydrogen 2.744 N/A ALA 293.A N ASP 289.A O no hydrogen 2.890 N/A LEU 294.A N SER 290.A O no hydrogen 2.916 N/A LEU 294.A N ASP 291.A O no hydrogen 3.248 N/A ASN 295.A N ASP 292.A O no hydrogen 2.785 N/A ASN 295.A ND2 ASP 291.A O no hydrogen 2.966 N/A HIS 296.A N ALA 293.A O no hydrogen 3.314 N/A HIS 296.A NE2 ASP 274.A OD2 no hydrogen 2.783 N/A PHE 298.A N HIS 296.A ND1 no hydrogen 3.044 N/A PHE 299.A N HIS 296.A O no hydrogen 3.047 N/A TRP 300.A N ASP 297.A O no hydrogen 2.785 N/A TRP 300.A NE1 LEU 294.A O no hydrogen 2.933 N/A SER 301.A OG ASP 297.A O no hydrogen 2.677 N/A SER 306.A N SER 109.A O no hydrogen 3.295 N/A SER 306.A OG SER 109.A OG no hydrogen 2.544 N/A SER 306.A OG ASP 307.A O no hydrogen 3.286 N/A LYS 309.A NZ ASP 307.A OD1 no hydrogen 3.538 N/A MET 311.A N GLU 110.A OE2 no hydrogen 2.645 N/A LEU 312.A N LEU 308.A O no hydrogen 3.086 N/A SER 313.A N GLY 310.A O no hydrogen 2.718 N/A SER 313.A OG GLY 310.A O no hydrogen 2.709 N/A THR 314.A N GLY 310.A O no hydrogen 3.329 N/A THR 314.A N MET 311.A O no hydrogen 3.245 N/A THR 314.A OG1 MET 311.A O no hydrogen 2.639 N/A LEU 316.A N TYR 322.A OH no hydrogen 2.774 N/A THR 317.A OG1 GLU 321.A OE2 no hydrogen 2.596 N/A SER 318.A OG GLU 321.A OE1 no hydrogen 2.200 N/A SER 318.A OG GLU 321.A OE2 no hydrogen 2.784 N/A GLU 321.A N GLU 321.A OE1 no hydrogen 2.571 N/A TYR 322.A N SER 318.A O no hydrogen 3.063 N/A TYR 322.A OH LEU 316.A O no hydrogen 3.403 N/A LEU 323.A N MET 319.A O no hydrogen 2.761 N/A ALA 324.A N PHE 320.A O no hydrogen 2.775 N/A