Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i6e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N GLU 28.A OE1 no hydrogen 2.843 N/A ILE 5.A N ARG 65.A O no hydrogen 2.864 N/A ILE 6.A N VAL 26.A O no hydrogen 2.849 N/A ALA 7.A N VAL 26.A O no hydrogen 3.385 N/A ASP 9.A N ARG 24.A O no hydrogen 2.934 N/A TRP 11.A N VAL 22.A O no hydrogen 3.038 N/A HIS 12.A N ARG 355.A O no hydrogen 2.689 N/A HIS 12.A NE2 GLU 19.A OE1 no hydrogen 2.799 N/A LEU 13.A N ILE 20.A O no hydrogen 2.831 N/A ALA 14.A N TYR 352.A O no hydrogen 2.958 N/A LEU 15.A N CYS 18.A O no hydrogen 2.657 N/A CYS 18.A SG PHE 284.A O no hydrogen 3.166 N/A ILE 20.A N LEU 13.A O no hydrogen 3.286 N/A VAL 21.A N ALA 37.A O no hydrogen 2.911 N/A VAL 22.A N TRP 11.A O no hydrogen 2.847 N/A LEU 23.A N GLY 35.A O no hydrogen 2.798 N/A ARG 24.A N ASP 9.A O no hydrogen 2.974 N/A ARG 24.A NH1 ASP 9.A OD2 no hydrogen 2.924 N/A LEU 25.A N GLY 33.A O no hydrogen 2.814 N/A VAL 26.A N ALA 7.A O no hydrogen 3.101 N/A ALA 27.A N ALA 31.A O no hydrogen 3.033 N/A GLU 28.A N LYS 4.A O no hydrogen 2.929 N/A GLY 29.A N GLN 3.A OE1 no hydrogen 2.947 N/A GLY 30.A N ALA 27.A O no hydrogen 2.903 N/A GLY 33.A N LEU 25.A O no hydrogen 2.905 N/A PHE 34.A N ASP 97.A OD2 no hydrogen 2.664 N/A GLY 35.A N LEU 23.A O no hydrogen 2.900 N/A ALA 37.A N VAL 21.A O no hydrogen 2.884 N/A SER 38.A OG GLU 36.A OE2 no hydrogen 2.519 N/A TRP 40.A N THR 44.A OG1 no hydrogen 3.017 N/A PHE 43.A N TRP 40.A O no hydrogen 2.821 N/A THR 44.A N TRP 40.A O no hydrogen 3.005 N/A THR 44.A OG1 GLU 86.A OE2 no hydrogen 2.651 N/A GLY 45.A N TRP 40.A O no hydrogen 3.246 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.826 N/A ALA 49.A N THR 46.A OG1 no hydrogen 2.908 N/A SER 50.A N THR 46.A O no hydrogen 3.134 N/A TYR 51.A N PRO 47.A O no hydrogen 2.859 N/A ALA 52.A N GLU 48.A O no hydrogen 3.068 N/A ALA 53.A N ALA 49.A O no hydrogen 2.932 N/A LEU 54.A N SER 50.A O no hydrogen 3.152 N/A ASP 55.A N TYR 51.A O no hydrogen 2.881 N/A ARG 56.A N ALA 52.A O no hydrogen 2.920 N/A TYR 57.A N ALA 53.A O no hydrogen 3.190 N/A LEU 58.A N ALA 53.A O no hydrogen 2.805 N/A ARG 59.A NE ASP 55.A O no hydrogen 2.951 N/A ARG 59.A NH1 MET 8.A O no hydrogen 2.892 N/A ARG 59.A NH2 MET 8.A O no hydrogen 3.115 N/A ARG 59.A NH2 ASP 55.A OD1 no hydrogen 2.939 N/A LEU 61.A N LEU 58.A O no hydrogen 3.155 N/A VAL 62.A N ARG 59.A O no hydrogen 3.207 N/A ILE 63.A N ARG 59.A O no hydrogen 2.946 N/A GLY 64.A N ILE 5.A O no hydrogen 2.723 N/A ARG 65.A N VAL 62.A O no hydrogen 3.172 N/A ARG 65.A NH1 LEU 61.A O no hydrogen 3.028 N/A ARG 65.A NH1 GLU 76.A OE1 no hydrogen 2.802 N/A ARG 65.A NH2 GLU 76.A OE2 no hydrogen 2.943 N/A ARG 66.A NE ASP 69.A OD2 no hydrogen 2.634 N/A VAL 67.A N GLN 3.A O no hydrogen 2.950 N/A GLY 68.A N LEU 1.A O no hydrogen 2.845 N/A ASP 69.A N ARG 66.A O no hydrogen 2.894 N/A ARG 70.A NH1 ASP 92.A OD1 no hydrogen 2.513 N/A ILE 73.A N ASP 69.A O no hydrogen 2.935 N/A MET 74.A N ARG 70.A O no hydrogen 2.895 N/A ASP 75.A N VAL 71.A O no hydrogen 2.998 N/A GLU 76.A N ALA 72.A O no hydrogen 2.929 N/A ALA 77.A N ILE 73.A O no hydrogen 2.769 N/A ALA 78.A N MET 74.A O no hydrogen 3.096 N/A ARG 79.A N GLU 76.A O no hydrogen 3.146 N/A ALA 80.A N GLU 76.A O no hydrogen 2.911 N/A ALA 80.A N ALA 77.A O no hydrogen 3.092 N/A CYS 84.A SG ALA 49.A O no hydrogen 3.413 N/A CYS 84.A SG ALA 82.A O no hydrogen 3.729 N/A THR 85.A OG1 MET 256.A O no hydrogen 2.684 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.712 N/A LYS 88.A N CYS 84.A O no hydrogen 3.085 N/A LYS 88.A NZ ALA 78.A O no hydrogen 3.173 N/A LYS 88.A NZ VAL 81.A O no hydrogen 2.743 N/A LYS 88.A NZ HIS 83.A O no hydrogen 2.820 N/A ALA 89.A N THR 85.A O no hydrogen 2.915 N/A ALA 90.A N GLU 86.A O no hydrogen 2.971 N/A LEU 91.A N ALA 87.A O no hydrogen 2.935 N/A ASP 92.A N LYS 88.A O no hydrogen 2.994 N/A SER 93.A N ALA 89.A O no hydrogen 2.838 N/A SER 93.A OG ALA 89.A O no hydrogen 2.737 N/A ALA 94.A N ALA 90.A O no hydrogen 2.890 N/A LEU 95.A N LEU 91.A O no hydrogen 2.914 N/A LEU 96.A N ASP 92.A O no hydrogen 2.967 N/A ASP 97.A N SER 93.A O no hydrogen 2.786 N/A LEU 98.A N ALA 94.A O no hydrogen 2.732 N/A ALA 99.A N LEU 95.A O no hydrogen 2.960 N/A GLY 100.A N LEU 96.A O no hydrogen 2.823 N/A ARG 101.A N ASP 97.A O no hydrogen 2.964 N/A ILE 102.A N LEU 98.A O no hydrogen 3.020 N/A SER 103.A N ALA 99.A O no hydrogen 3.050 N/A SER 103.A OG ALA 99.A O no hydrogen 2.733 N/A LEU 105.A N GLY 100.A O no hydrogen 2.792 N/A VAL 107.A N GLY 339.A O no hydrogen 3.085 N/A TRP 108.A N HIS 295.A ND1 no hydrogen 3.031 N/A TRP 108.A NE1 PRO 335.A O no hydrogen 2.802 N/A ALA 109.A N PRO 106.A O no hydrogen 2.854 N/A LEU 110.A N VAL 107.A O no hydrogen 2.682 N/A LEU 111.A N TRP 108.A O no hydrogen 2.986 N/A GLY 113.A N TRP 108.A O no hydrogen 3.016 N/A LYS 114.A NZ ASP 117.A OD1 no hydrogen 2.914 N/A LYS 114.A NZ ASP 336.A OD1 no hydrogen 2.735 N/A CYS 115.A N ALA 298.A O no hydrogen 2.898 N/A CYS 115.A SG ALA 298.A O no hydrogen 3.368 N/A ARG 116.A NH1 ILE 297.A O no hydrogen 2.857 N/A ARG 116.A NH1 THR 300.A O no hydrogen 2.928 N/A ARG 116.A NH2 PRO 301.A O no hydrogen 3.514 N/A ILE 119.A N VAL 332.A O no hydrogen 2.832 N/A LEU 121.A N GLY 330.A O no hydrogen 3.044 N/A SER 122.A N CYS 307.A O no hydrogen 2.790 N/A CYS 123.A N LEU 147.A O no hydrogen 3.086 N/A CYS 123.A SG SER 124.A O no hydrogen 3.626 N/A ILE 125.A N LYS 149.A O no hydrogen 2.803 N/A ASN 127.A N ASP 133.A OD2 no hydrogen 2.769 N/A ASP 129.A N ASN 127.A OD1 no hydrogen 2.721 N/A ALA 132.A N ASP 129.A O no hydrogen 2.930 N/A ILE 134.A N PHE 130.A O no hydrogen 3.026 N/A ALA 135.A N ASP 131.A O no hydrogen 3.203 N/A LEU 136.A N ALA 132.A O no hydrogen 3.065 N/A MET 137.A N ASP 133.A O no hydrogen 2.694 N/A GLU 138.A N ILE 134.A O no hydrogen 2.968 N/A ARG 139.A N ALA 135.A O no hydrogen 3.067 N/A LEU 140.A N LEU 136.A O no hydrogen 2.606 N/A ARG 141.A N MET 137.A O no hydrogen 2.873 N/A ARG 141.A NH1 ASP 170.A O no hydrogen 2.998 N/A ARG 141.A NH1 GLU 173.A OE1 no hydrogen 2.775 N/A ARG 141.A NH2 GLU 138.A OE1 no hydrogen 2.829 N/A ALA 142.A N GLU 138.A O no hydrogen 3.187 N/A ASP 143.A N ARG 139.A O no hydrogen 3.011 N/A GLY 144.A N ARG 141.A O no hydrogen 3.213 N/A VAL 145.A N LEU 140.A O no hydrogen 3.140 N/A ILE 148.A N ARG 175.A O no hydrogen 3.156 N/A LYS 149.A N CYS 123.A O no hydrogen 2.983 N/A LYS 149.A NZ ASP 179.A OD2 no hydrogen 2.931 N/A LYS 149.A NZ GLU 205.A OE1 no hydrogen 3.524 N/A LYS 149.A NZ GLU 308.A OE1 no hydrogen 3.294 N/A LYS 149.A NZ GLU 308.A OE2 no hydrogen 2.710 N/A LEU 150.A N ARG 177.A O no hydrogen 2.745 N/A LYS 151.A N ILE 125.A O no hydrogen 2.954 N/A THR 152.A N ASP 179.A O no hydrogen 2.864 N/A GLY 153.A N ASP 160.A OD1 no hydrogen 3.405 N/A GLY 153.A N ASP 160.A OD2 no hydrogen 3.079 N/A ARG 155.A NH1 PRO 128.A O no hydrogen 3.227 N/A PHE 159.A N ASP 156.A OD1 no hydrogen 2.912 N/A ILE 161.A N HIS 157.A O no hydrogen 3.045 N/A MET 162.A N ALA 158.A O no hydrogen 2.704 N/A ARG 163.A N PHE 159.A O no hydrogen 3.234 N/A ARG 163.A NE PHE 159.A O no hydrogen 3.145 N/A ARG 163.A NH1 LYS 151.A O no hydrogen 3.118 N/A ARG 163.A NH2 LYS 151.A O no hydrogen 2.750 N/A ARG 163.A NH2 ASP 160.A OD1 no hydrogen 2.658 N/A LEU 164.A N ASP 160.A O no hydrogen 3.000 N/A GLU 165.A N ILE 161.A O no hydrogen 2.994 N/A LEU 166.A N MET 162.A O no hydrogen 3.094 N/A ILE 167.A N ARG 163.A O no hydrogen 2.957 N/A ALA 168.A N LEU 164.A O no hydrogen 3.198 N/A ARG 169.A N GLU 165.A O no hydrogen 3.000 N/A ASP 170.A N LEU 166.A O no hydrogen 2.728 N/A PHE 171.A N ILE 167.A O no hydrogen 2.799 N/A PHE 174.A N PHE 171.A O no hydrogen 3.425 N/A ARG 175.A N GLY 146.A O no hydrogen 2.947 N/A ARG 175.A NE ASP 202.A OD2 no hydrogen 2.973 N/A ARG 177.A N ILE 148.A O no hydrogen 2.917 N/A ARG 177.A NE ASP 202.A OD2 no hydrogen 2.762 N/A ARG 177.A NH1 LEU 305.A O no hydrogen 3.055 N/A ARG 177.A NH2 LEU 305.A O no hydrogen 3.106 N/A VAL 178.A N PHE 203.A O no hydrogen 2.918 N/A ASP 179.A N LEU 150.A O no hydrogen 2.973 N/A TYR 180.A N GLU 205.A O no hydrogen 2.979 N/A ASN 181.A N ASP 179.A OD1 no hydrogen 2.720 N/A GLN 182.A N GLN 206.A O no hydrogen 2.812 N/A GLY 183.A N TYR 180.A O no hydrogen 2.752 N/A LEU 184.A N PRO 207.A O no hydrogen 2.982 N/A GLU 185.A N GLU 188.A OE2 no hydrogen 2.927 N/A GLU 188.A N GLU 185.A O no hydrogen 3.208 N/A ARG 192.A N GLU 188.A O no hydrogen 3.251 N/A ARG 192.A NH1 GLU 188.A OE1 no hydrogen 2.941 N/A ARG 192.A NH2 ARG 155.A O no hydrogen 3.133 N/A ARG 192.A NH2 ASP 160.A OD2 no hydrogen 3.014 N/A VAL 193.A N ALA 189.A O no hydrogen 3.058 N/A LEU 194.A N VAL 190.A O no hydrogen 2.981 N/A ASP 195.A N PRO 191.A O no hydrogen 3.102 N/A VAL 196.A N ARG 192.A O no hydrogen 3.054 N/A ALA 197.A N VAL 193.A O no hydrogen 2.846 N/A GLN 198.A N ASP 195.A O no hydrogen 3.086 N/A PHE 199.A N VAL 196.A O no hydrogen 2.940 N/A GLN 200.A N ALA 197.A O no hydrogen 2.869 N/A ASP 202.A N VAL 176.A O no hydrogen 2.689 N/A ILE 204.A N PRO 226.A O no hydrogen 2.832 N/A GLU 205.A N VAL 178.A O no hydrogen 2.692 N/A GLN 206.A N LEU 228.A O no hydrogen 2.851 N/A GLN 206.A NE2 VAL 208.A O no hydrogen 2.980 N/A GLN 206.A NE2 SER 232.A OG no hydrogen 2.869 N/A ALA 210.A N GLN 182.A OE1 no hydrogen 2.853 N/A HIS 212.A N ARG 209.A O no hydrogen 2.987 N/A PHE 213.A N HIS 211.A O no hydrogen 2.888 N/A MET 216.A N HIS 212.A O no hydrogen 2.939 N/A ALA 217.A N PHE 213.A O no hydrogen 3.011 N/A ARG 218.A N GLU 214.A O no hydrogen 3.072 N/A LEU 219.A N LEU 215.A O no hydrogen 2.844 N/A ARG 220.A N MET 216.A O no hydrogen 2.891 N/A ARG 220.A NE GLY 246.A O no hydrogen 2.937 N/A GLY 221.A N ALA 217.A O no hydrogen 3.303 N/A GLY 221.A N ARG 218.A O no hydrogen 3.037 N/A LEU 222.A N LEU 219.A O no hydrogen 3.162 N/A VAL 225.A N THR 223.A OG1 no hydrogen 3.236 N/A LEU 227.A N ASP 249.A OD2 no hydrogen 2.841 N/A LEU 228.A N ILE 204.A O no hydrogen 2.801 N/A ALA 229.A N GLY 250.A O no hydrogen 2.938 N/A ASP 230.A N GLN 206.A OE1 no hydrogen 2.789 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 2.688 N/A SER 232.A N GLN 206.A OE1 no hydrogen 3.156 N/A SER 232.A OG ALA 210.A O no hydrogen 2.618 N/A VAL 233.A N ASP 230.A O no hydrogen 2.893 N/A TYR 234.A N ASP 238.A OD2 no hydrogen 2.869 N/A MET 239.A N GLY 235.A O no hydrogen 2.931 N/A VAL 240.A N PRO 236.A O no hydrogen 2.933 N/A ARG 241.A N GLU 237.A O no hydrogen 3.232 N/A ARG 241.A NE GLU 245.A OE2 no hydrogen 2.795 N/A ALA 242.A N ASP 238.A O no hydrogen 2.736 N/A ALA 243.A N MET 239.A O no hydrogen 2.871 N/A HIS 244.A N VAL 240.A O no hydrogen 3.081 N/A GLU 245.A N ARG 241.A O no hydrogen 3.010 N/A GLY 246.A N ALA 243.A O no hydrogen 3.168 N/A ILE 247.A N ALA 242.A O no hydrogen 3.250 N/A CYS 248.A SG GLY 250.A O no hydrogen 3.275 N/A ASP 249.A N LEU 227.A O no hydrogen 2.810 N/A VAL 251.A N MET 277.A O no hydrogen 2.909 N/A SER 252.A N ALA 229.A O no hydrogen 2.891 N/A ILE 253.A N TYR 279.A O no hydrogen 2.792 N/A LYS 254.A NZ ASP 230.A OD2 no hydrogen 3.101 N/A LYS 254.A NZ ASP 282.A O no hydrogen 3.110 N/A LYS 257.A N LYS 254.A O no hydrogen 2.934 N/A LYS 257.A NZ ASP 230.A O no hydrogen 2.671 N/A LYS 257.A NZ ASP 230.A OD1 no hydrogen 2.818 N/A LYS 257.A NZ VAL 233.A O no hydrogen 2.827 N/A LYS 257.A NZ SER 252.A O no hydrogen 2.876 N/A SER 258.A N LYS 254.A O no hydrogen 3.001 N/A SER 258.A OG LYS 254.A O no hydrogen 3.332 N/A SER 258.A OG ILE 255.A O no hydrogen 3.468 N/A SER 258.A OG GLY 260.A O no hydrogen 2.745 N/A GLY 259.A N ILE 255.A O no hydrogen 2.899 N/A LEU 261.A N ASP 92.A OD2 no hydrogen 2.780 N/A ARG 263.A NE SER 258.A O no hydrogen 2.637 N/A ARG 263.A NH1 GLU 237.A OE2 no hydrogen 3.147 N/A ARG 263.A NH2 GLU 237.A OE1 no hydrogen 2.835 N/A ALA 264.A N GLY 260.A O no hydrogen 3.242 N/A GLN 265.A N LEU 261.A O no hydrogen 3.089 N/A GLN 265.A NE2 THR 300.A OG1 no hydrogen 3.076 N/A THR 266.A N THR 262.A O no hydrogen 2.922 N/A THR 266.A OG1 THR 262.A O no hydrogen 3.196 N/A VAL 267.A N ARG 263.A O no hydrogen 3.043 N/A ALA 268.A N ALA 264.A O no hydrogen 3.200 N/A ARG 269.A N GLN 265.A O no hydrogen 2.859 N/A ILE 270.A N THR 266.A O no hydrogen 2.916 N/A ALA 271.A N VAL 267.A O no hydrogen 3.006 N/A ALA 272.A N ALA 268.A O no hydrogen 3.004 N/A ALA 273.A N ARG 269.A O no hydrogen 3.032 N/A HIS 274.A N ILE 270.A O no hydrogen 3.238 N/A HIS 274.A N ALA 271.A O no hydrogen 2.853 N/A GLY 275.A N ALA 272.A O no hydrogen 2.923 N/A LEU 276.A N ALA 271.A O no hydrogen 2.864 N/A MET 277.A N ASP 249.A O no hydrogen 3.033 N/A TYR 279.A N VAL 251.A O no hydrogen 2.986 N/A TYR 279.A OH GLU 308.A OE2 no hydrogen 2.555 N/A GLY 280.A N GLY 306.A O no hydrogen 2.830 N/A GLY 281.A N ILE 253.A O no hydrogen 3.009 N/A GLY 281.A N TYR 279.A O no hydrogen 3.168 N/A ASP 282.A N GLU 308.A OE1 no hydrogen 2.981 N/A MET 283.A N GLU 285.A OE2 no hydrogen 2.984 N/A GLU 285.A N MET 283.A O no hydrogen 2.852 N/A ALA 286.A N GLU 36.A OE2 no hydrogen 2.839 N/A GLY 287.A N ASP 319.A OD1 no hydrogen 2.814 N/A ALA 289.A N GLU 36.A OE1 no hydrogen 2.936 N/A HIS 290.A N ALA 286.A O no hydrogen 3.054 N/A LEU 291.A N GLY 287.A O no hydrogen 2.919 N/A ALA 292.A N LEU 288.A O no hydrogen 3.218 N/A GLY 293.A N ALA 289.A O no hydrogen 2.966 N/A THR 294.A N HIS 290.A O no hydrogen 2.794 N/A THR 294.A OG1 HIS 290.A O no hydrogen 2.779 N/A HIS 295.A N LEU 291.A O no hydrogen 2.918 N/A HIS 295.A NE2 LEU 340.A O no hydrogen 2.754 N/A MET 296.A N ALA 292.A O no hydrogen 3.128 N/A ILE 297.A N GLY 293.A O no hydrogen 3.064 N/A ALA 298.A N THR 294.A O no hydrogen 2.862 N/A ALA 299.A N HIS 295.A O no hydrogen 3.294 N/A ALA 299.A N MET 296.A O no hydrogen 3.134 N/A THR 300.A N ILE 297.A O no hydrogen 3.033 N/A THR 300.A OG1 MET 296.A O no hydrogen 2.575 N/A GLU 302.A N GLU 302.A OE1 no hydrogen 2.741 N/A ILE 303.A N THR 300.A O no hydrogen 3.181 N/A THR 304.A N ALA 278.A O no hydrogen 3.283 N/A LEU 305.A N ALA 278.A O no hydrogen 3.271 N/A CYS 307.A N PRO 120.A O no hydrogen 2.966 N/A CYS 307.A SG PRO 120.A O no hydrogen 3.805 N/A GLU 308.A N GLY 280.A O no hydrogen 3.028 N/A GLN 311.A N GLN 311.A OE1 no hydrogen 2.714 N/A GLN 311.A NE2 ASP 282.A OD1 no hydrogen 3.182 N/A TYR 314.A N TYR 310.A O no hydrogen 2.744 N/A TYR 314.A OH ASP 143.A OD2 no hydrogen 2.833 N/A PHE 315.A N GLN 311.A O no hydrogen 2.872 N/A LEU 316.A N GLN 311.A O no hydrogen 2.813 N/A ASN 317.A N PRO 16.A O no hydrogen 2.958 N/A GLU 322.A N ARG 343.A O no hydrogen 2.815 N/A ARG 326.A NH2 GLU 328.A OE2 no hydrogen 3.196 N/A GLU 328.A N GLN 331.A O no hydrogen 2.862 N/A GLN 331.A N GLU 328.A O no hydrogen 2.963 N/A VAL 332.A N ILE 119.A O no hydrogen 2.675 N/A ILE 333.A N ARG 326.A O no hydrogen 3.065 N/A VAL 334.A N ASP 117.A O no hydrogen 3.019 N/A GLY 339.A N LEU 105.A O no hydrogen 2.762 N/A LEU 340.A N ASP 97.A OD1 no hydrogen 2.742 N/A ASP 345.A N ILE 320.A O no hydrogen 2.772 N/A LYS 348.A N ASP 345.A OD2 no hydrogen 2.958 N/A LEU 349.A N ASP 345.A O no hydrogen 2.962 N/A GLU 350.A N PRO 346.A O no hydrogen 3.184 N/A HIS 351.A N GLU 347.A O no hydrogen 2.977 N/A TYR 352.A N LYS 348.A O no hydrogen 2.993 N/A TYR 352.A OH GLU 318.A OE1 no hydrogen 2.614 N/A VAL 354.A N HIS 12.A O no hydrogen 2.694 N/A