Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N ASP 2.A O no hydrogen 2.970 N/A THR 6.A N ASP 3.A O no hydrogen 2.991 N/A THR 6.A OG1 ASP 2.A O no hydrogen 3.439 N/A PHE 7.A N ILE 260.A O no hydrogen 2.868 N/A LYS 8.A N ASP 46.A OD2 no hydrogen 2.780 N/A LYS 8.A NZ ASN 43.A O no hydrogen 2.750 N/A ILE 9.A N LEU 258.A O no hydrogen 2.742 N/A LEU 10.A N PHE 47.A O no hydrogen 3.226 N/A VAL 11.A N GLY 256.A O no hydrogen 2.894 N/A ALA 12.A N LEU 49.A O no hydrogen 2.996 N/A THR 13.A OG1 ASP 14.A OD1 no hydrogen 2.867 N/A THR 13.A OG1 GLY 215.A O no hydrogen 3.354 N/A ASP 14.A N GLY 52.A O no hydrogen 2.825 N/A HIS 16.A N ASP 53.A O no hydrogen 2.902 N/A HIS 16.A ND1 HIS 56.A ND1 no hydrogen 3.036 N/A LEU 17.A N LEU 54.A O no hydrogen 2.753 N/A GLY 18.A N THR 29.A OG1 no hydrogen 3.033 N/A PHE 19.A N HIS 16.A O no hydrogen 3.058 N/A VAL 24.A N ASP 22.A OD2 no hydrogen 2.762 N/A ARG 25.A N ASP 22.A OD2 no hydrogen 2.993 N/A ASP 28.A N ARG 25.A O no hydrogen 3.067 N/A VAL 31.A N ASN 27.A O no hydrogen 3.095 N/A VAL 31.A N ASP 28.A O no hydrogen 2.961 N/A THR 32.A N ASP 28.A O no hydrogen 2.999 N/A THR 32.A OG1 ASP 28.A O no hydrogen 3.415 N/A THR 32.A OG1 THR 272.A OG1 no hydrogen 3.148 N/A LEU 33.A N THR 29.A O no hydrogen 2.819 N/A ASP 34.A N PHE 30.A O no hydrogen 3.179 N/A GLU 35.A N VAL 31.A O no hydrogen 2.958 N/A ILE 36.A N THR 32.A O no hydrogen 2.930 N/A LEU 37.A N LEU 33.A O no hydrogen 2.970 N/A ARG 38.A N ASP 34.A O no hydrogen 2.882 N/A ARG 38.A NE GLU 42.A OE2 no hydrogen 3.295 N/A LEU 39.A N GLU 35.A O no hydrogen 2.757 N/A ALA 40.A N ILE 36.A O no hydrogen 2.970 N/A GLN 41.A N LEU 37.A O no hydrogen 2.930 N/A GLU 42.A N ARG 38.A O no hydrogen 2.831 N/A ASN 43.A N LEU 39.A O no hydrogen 2.938 N/A ASN 43.A ND2 LEU 39.A O no hydrogen 3.012 N/A GLU 44.A N GLN 41.A O no hydrogen 2.904 N/A VAL 45.A N ALA 40.A O no hydrogen 3.192 N/A ASP 46.A N LYS 8.A O no hydrogen 2.582 N/A ILE 48.A N PRO 95.A O no hydrogen 2.775 N/A LEU 49.A N LEU 10.A O no hydrogen 2.781 N/A LEU 50.A N PHE 97.A O no hydrogen 2.948 N/A GLY 51.A N ALA 12.A O no hydrogen 2.893 N/A LEU 54.A N ASP 104.A OD2 no hydrogen 3.152 N/A HIS 56.A N LEU 17.A O no hydrogen 2.850 N/A HIS 56.A ND1 HIS 16.A ND1 no hydrogen 3.036 N/A ASN 58.A ND2 ASP 105.A OD1 no hydrogen 3.362 N/A LYS 59.A NZ THR 107.A OG1 no hydrogen 3.406 N/A SER 61.A OG GLU 20.A OE1 no hydrogen 2.939 N/A SER 61.A OG GLU 20.A OE2 no hydrogen 2.681 N/A SER 61.A OG THR 64.A OG1 no hydrogen 2.872 N/A THR 64.A N SER 61.A OG no hydrogen 2.874 N/A THR 64.A OG1 GLU 20.A OE2 no hydrogen 2.921 N/A THR 64.A OG1 SER 61.A OG no hydrogen 2.872 N/A LEU 65.A N SER 61.A O no hydrogen 2.938 N/A HIS 66.A N ARG 62.A O no hydrogen 2.865 N/A HIS 66.A N LYS 63.A O no hydrogen 3.176 N/A THR 67.A N LYS 63.A O no hydrogen 2.858 N/A THR 67.A OG1 LYS 63.A O no hydrogen 2.971 N/A CYS 68.A N THR 64.A O no hydrogen 2.913 N/A LEU 69.A N LEU 65.A O no hydrogen 3.183 N/A GLU 70.A N HIS 66.A O no hydrogen 2.889 N/A LEU 71.A N THR 67.A O no hydrogen 2.929 N/A LEU 72.A N CYS 68.A O no hydrogen 2.889 N/A ARG 73.A N LEU 69.A O no hydrogen 2.800 N/A LYS 74.A N GLU 70.A O no hydrogen 2.872 N/A LYS 74.A NZ TYR 75.A OH no hydrogen 3.540 N/A TYR 75.A N LEU 71.A O no hydrogen 3.012 N/A TYR 75.A OH ASP 34.A OD1 no hydrogen 2.568 N/A CYS 76.A N LEU 72.A O no hydrogen 2.860 N/A CYS 76.A SG ILE 94.A O no hydrogen 3.512 N/A ARG 79.A NH2 VAL 45.A O no hydrogen 2.497 N/A GLU 84.A N GLN 143.A O no hydrogen 2.964 N/A LEU 86.A N LEU 141.A O no hydrogen 2.741 N/A SER 87.A OG PRO 139.A O no hydrogen 3.457 N/A GLN 89.A NE2 GLN 89.A O no hydrogen 2.327 N/A SER 93.A N CYS 76.A O no hydrogen 2.799 N/A SER 93.A OG CYS 76.A O no hydrogen 3.329 N/A ILE 94.A N CYS 76.A O no hydrogen 3.122 N/A PHE 97.A N ILE 48.A O no hydrogen 2.784 N/A SER 98.A N ASN 125.A O no hydrogen 3.059 N/A SER 98.A OG ILE 99.A O no hydrogen 3.042 N/A HIS 100.A ND1 GLY 101.A O no hydrogen 2.742 N/A GLY 101.A N ASP 104.A OD1 no hydrogen 2.605 N/A HIS 103.A N ASP 53.A OD1 no hydrogen 3.044 N/A HIS 103.A N ASN 102.A OD1 no hydrogen 2.695 N/A THR 107.A N LEU 112.A O no hydrogen 2.698 N/A ALA 111.A N GLY 108.A O no hydrogen 3.243 N/A LEU 112.A N ASP 110.A OD1 no hydrogen 3.420 N/A CYS 113.A N ASP 116.A OD2 no hydrogen 3.119 N/A CYS 113.A SG ASP 104.A O no hydrogen 3.935 N/A ASP 116.A N CYS 113.A O no hydrogen 2.816 N/A ILE 117.A N ALA 114.A O no hydrogen 2.659 N/A LEU 118.A N ALA 114.A O no hydrogen 3.329 N/A SER 119.A N LEU 115.A O no hydrogen 2.525 N/A SER 119.A OG VAL 124.A O no hydrogen 3.428 N/A CYS 120.A N ASP 116.A O no hydrogen 3.015 N/A ALA 121.A N ILE 117.A O no hydrogen 3.006 N/A GLY 122.A N LEU 118.A O no hydrogen 3.135 N/A GLY 122.A N SER 119.A O no hydrogen 3.055 N/A PHE 123.A N LEU 118.A O no hydrogen 3.310 N/A ASN 125.A N VAL 96.A O no hydrogen 2.696 N/A PHE 127.A N SER 98.A O no hydrogen 2.957 N/A ARG 129.A NH1 ALA 111.A O no hydrogen 2.949 N/A ARG 129.A NH2 ALA 111.A O no hydrogen 3.085 N/A ILE 135.A N LYS 169.A O no hydrogen 3.093 N/A ILE 137.A N THR 171.A O no hydrogen 2.999 N/A VAL 140.A N LEU 151.A O no hydrogen 2.875 N/A LEU 141.A N SER 87.A OG no hydrogen 2.912 N/A LEU 142.A N ILE 149.A O no hydrogen 2.871 N/A GLN 143.A N GLU 84.A O no hydrogen 3.035 N/A GLN 143.A NE2 GLY 145.A O no hydrogen 3.223 N/A LYS 144.A N THR 147.A O no hydrogen 2.888 N/A LYS 144.A NZ ASP 3.A O no hydrogen 3.545 N/A LYS 144.A NZ THR 6.A O no hydrogen 2.828 N/A LYS 144.A NZ ASP 46.A OD1 no hydrogen 3.207 N/A LYS 144.A NZ ASP 46.A OD2 no hydrogen 2.847 N/A SER 146.A N ASN 5.A OD1 no hydrogen 2.868 N/A THR 147.A N LYS 144.A O no hydrogen 2.806 N/A LYS 148.A NZ SER 180.A OG no hydrogen 3.288 N/A ILE 149.A N LEU 142.A O no hydrogen 2.944 N/A ALA 150.A N PHE 182.A O no hydrogen 2.805 N/A LEU 151.A N VAL 140.A O no hydrogen 2.713 N/A TYR 152.A N LEU 184.A O no hydrogen 2.652 N/A TYR 152.A OH LEU 172.A O no hydrogen 2.705 N/A LEU 154.A N VAL 186.A O no hydrogen 3.050 N/A GLY 155.A N GLY 128.A O no hydrogen 2.948 N/A SER 156.A N HIS 100.A O no hydrogen 2.814 N/A ILE 157.A N GLN 189.A OE1 no hydrogen 3.145 N/A LEU 162.A N PRO 158.A O no hydrogen 3.351 N/A TYR 163.A N ASP 159.A O no hydrogen 2.892 N/A ARG 164.A N GLU 160.A O no hydrogen 3.133 N/A VAL 166.A N TYR 163.A O no hydrogen 2.925 N/A ASN 167.A N ARG 164.A O no hydrogen 2.940 N/A LYS 168.A N PHE 165.A O no hydrogen 2.959 N/A THR 171.A N ILE 135.A O no hydrogen 2.971 N/A SER 180.A N ASP 177.A O no hydrogen 2.868 N/A SER 180.A OG ASP 177.A O no hydrogen 2.481 N/A TRP 181.A NE1 GLU 176.A O no hydrogen 3.302 N/A PHE 182.A N LYS 148.A O no hydrogen 2.750 N/A ASN 183.A N ASP 210.A OD1 no hydrogen 2.876 N/A ASN 183.A ND2 PHE 208.A O no hydrogen 2.941 N/A LEU 184.A N ALA 150.A O no hydrogen 3.141 N/A PHE 185.A N LEU 211.A O no hydrogen 2.926 N/A VAL 186.A N TYR 152.A O no hydrogen 2.793 N/A ILE 187.A N ILE 213.A O no hydrogen 3.015 N/A HIS 188.A ND1 GLY 51.A O no hydrogen 2.843 N/A HIS 188.A NE2 ASN 102.A OD1 no hydrogen 2.992 N/A GLN 189.A NE2 ILE 157.A O no hydrogen 3.098 N/A GLN 189.A NE2 ASP 159.A OD1 no hydrogen 2.900 N/A ASN 190.A N ASP 159.A OD1 no hydrogen 2.892 N/A ASN 190.A ND2 ASN 198.A O no hydrogen 2.919 N/A ARG 191.A N GLU 217.A OE2 no hydrogen 2.698 N/A ARG 191.A NE GLU 202.A OE2 no hydrogen 2.767 N/A ARG 191.A NH1 GLN 236.A OE1 no hydrogen 3.015 N/A ARG 191.A NH2 GLU 202.A OE2 no hydrogen 2.831 N/A SER 192.A N GLU 217.A OE2 no hydrogen 3.347 N/A SER 192.A OG GLU 217.A OE2 no hydrogen 3.443 N/A ILE 200.A N ASN 190.A O no hydrogen 2.995 N/A PHE 204.A N PRO 201.A O no hydrogen 2.870 N/A LEU 205.A N GLU 202.A O no hydrogen 3.165 N/A ILE 209.A N ASP 206.A O no hydrogen 3.281 N/A ASP 210.A N ASN 183.A O no hydrogen 2.677 N/A LEU 211.A N ASN 183.A O no hydrogen 3.219 N/A VAL 212.A N TYR 233.A O no hydrogen 2.811 N/A ILE 213.A N PHE 185.A O no hydrogen 2.805 N/A TRP 214.A N SER 235.A O no hydrogen 2.782 N/A TRP 214.A NE1 GLN 189.A O no hydrogen 3.124 N/A GLY 215.A N ILE 187.A O no hydrogen 2.781 N/A HIS 216.A ND1 HIS 188.A NE2 no hydrogen 3.201 N/A HIS 218.A ND1 GLU 249.A OE2 no hydrogen 3.128 N/A CYS 220.A SG LYS 252.A O no hydrogen 3.766 N/A LYS 221.A N GLN 236.A O no hydrogen 2.750 N/A THR 225.A N ILE 234.A O no hydrogen 3.195 N/A ASN 227.A N PHE 232.A O no hydrogen 2.944 N/A ASN 227.A ND2 GLU 202.A OE1 no hydrogen 2.681 N/A GLN 230.A N ASN 227.A OD1 no hydrogen 2.584 N/A LEU 231.A N ASN 227.A O no hydrogen 2.655 N/A TYR 233.A N ASP 210.A O no hydrogen 3.029 N/A ILE 234.A N THR 225.A O no hydrogen 2.980 N/A SER 235.A N VAL 212.A O no hydrogen 2.869 N/A SER 235.A OG ILE 222.A O no hydrogen 2.643 N/A GLN 236.A N LYS 221.A O no hydrogen 3.156 N/A GLN 236.A NE2 GLU 219.A O no hydrogen 2.602 N/A SER 239.A N HIS 218.A O no hydrogen 2.910 N/A SER 239.A OG HIS 218.A ND1 no hydrogen 2.952 N/A SER 239.A OG HIS 218.A O no hydrogen 3.333 N/A SER 239.A OG VAL 241.A O no hydrogen 3.036 N/A SER 239.A OG GLU 249.A OE2 no hydrogen 2.745 N/A SER 240.A N ASP 14.A O no hydrogen 3.242 N/A GLU 249.A N SER 246.A O no hydrogen 3.117 N/A GLU 249.A N SER 246.A OG no hydrogen 3.399 N/A ALA 250.A N PRO 247.A O no hydrogen 2.915 N/A VAL 251.A N GLY 248.A O no hydrogen 3.190 N/A LYS 253.A NZ HIS 218.A O no hydrogen 2.907 N/A LYS 253.A NZ GLU 249.A OE2 no hydrogen 2.932 N/A VAL 255.A N ILE 268.A O no hydrogen 2.986 N/A GLY 256.A N VAL 11.A O no hydrogen 2.959 N/A LEU 257.A N HIS 266.A O no hydrogen 2.698 N/A LEU 258.A N ILE 9.A O no hydrogen 2.887 N/A ARG 259.A N ASN 265.A O no hydrogen 2.886 N/A ILE 260.A N PHE 7.A O no hydrogen 3.119 N/A LYS 261.A N LYS 264.A O no hydrogen 2.900 N/A LYS 261.A NZ ASP 2.A OD1 no hydrogen 2.345 N/A LYS 264.A N LYS 261.A O no hydrogen 2.861 N/A ASN 265.A N ARG 259.A O no hydrogen 2.926 N/A ILE 268.A N VAL 255.A O no hydrogen 2.864 N/A LEU 270.A N LYS 253.A O no hydrogen 3.321 N/A HIS 271.A N GLU 35.A OE1 no hydrogen 2.667 N/A THR 272.A N GLU 35.A OE2 no hydrogen 2.914 N/A THR 272.A OG1 THR 32.A OG1 no hydrogen 3.148 N/A THR 272.A OG1 GLU 35.A OE2 no hydrogen 2.852 N/A ARG 274.A NE LYS 327.A O no hydrogen 2.823 N/A ARG 274.A NH1 ASP 28.A OD2 no hydrogen 2.768 N/A GLN 275.A NE2 ALA 314.A O no hydrogen 3.621 N/A PHE 277.A N LEU 329.A O no hydrogen 3.204 N/A ILE 280.A N ARG 333.A O no hydrogen 2.898 N/A LEU 282.A N ASP 335.A O no hydrogen 3.131 N/A ASN 284.A N VAL 281.A O no hydrogen 3.388 N/A HIS 285.A N LEU 282.A O no hydrogen 3.054 N/A PHE 289.A N HIS 285.A O no hydrogen 3.185 N/A VAL 296.A N ASN 293.A O no hydrogen 2.883 N/A ALA 299.A N LYS 295.A O no hydrogen 3.139 N/A ILE 300.A N VAL 296.A O no hydrogen 2.920 N/A GLN 301.A NE2 THR 297.A O no hydrogen 3.285 N/A SER 302.A N GLN 298.A O no hydrogen 3.225 N/A SER 302.A N ALA 299.A O no hydrogen 3.269 N/A PHE 303.A N ILE 300.A O no hydrogen 2.616 N/A CYS 304.A N ILE 300.A O no hydrogen 3.094 N/A CYS 304.A SG ILE 300.A O no hydrogen 3.979 N/A LEU 305.A N GLN 301.A O no hydrogen 3.479 N/A GLU 306.A N PHE 303.A O no hydrogen 2.888 N/A LYS 307.A N PHE 303.A O no hydrogen 2.836 N/A ILE 308.A N CYS 304.A O no hydrogen 2.839 N/A GLU 309.A N LEU 305.A O no hydrogen 2.994 N/A GLU 310.A N GLU 306.A O no hydrogen 2.920 N/A GLU 310.A N LYS 307.A O no hydrogen 3.064 N/A GLU 312.A N GLU 309.A O no hydrogen 3.312 N/A ASN 313.A N GLU 310.A O no hydrogen 2.822 N/A GLU 315.A N LEU 311.A O no hydrogen 3.161 N/A ARG 316.A N GLU 312.A O no hydrogen 2.951 N/A GLU 317.A N ASN 313.A O no hydrogen 3.126 N/A ARG 318.A N ALA 314.A O no hydrogen 3.020 N/A LEU 319.A N ARG 316.A O no hydrogen 2.988 N/A GLY 320.A N GLU 317.A O no hydrogen 3.245 N/A ASN 321.A ND2 HIS 271.A O no hydrogen 3.261 N/A HIS 323.A N ASN 321.A OD1 no hydrogen 3.117 N/A LEU 329.A N GLN 275.A O no hydrogen 2.949 N/A VAL 330.A N ASN 358.A OD1 no hydrogen 3.134 N/A ARG 331.A N PHE 277.A O no hydrogen 3.163 N/A LEU 332.A N ILE 362.A O no hydrogen 3.326 N/A ARG 333.A N GLU 278.A O no hydrogen 3.167 N/A VAL 334.A N HIS 364.A O no hydrogen 2.610 N/A ASP 335.A N ILE 280.A O no hydrogen 3.106 N/A TYR 336.A N PHE 366.A O no hydrogen 3.320 N/A SER 337.A OG ASP 335.A OD1 no hydrogen 3.062 N/A SER 337.A OG ASP 335.A OD2 no hydrogen 3.444 N/A LEU 346.A N SER 344.A OG no hydrogen 3.171 N/A SER 349.A N VAL 345.A O no hydrogen 2.549 N/A GLN 350.A N LEU 346.A O no hydrogen 2.958 N/A LYS 351.A N ARG 347.A O no hydrogen 3.147 N/A PHE 352.A N PHE 348.A O no hydrogen 3.334 N/A VAL 353.A N GLN 350.A O no hydrogen 3.181 N/A ARG 355.A N PHE 352.A O no hydrogen 2.690 N/A ARG 355.A NH1 GLU 309.A OE2 no hydrogen 2.981 N/A ARG 355.A NH2 GLU 309.A OE1 no hydrogen 3.085 N/A ARG 355.A NH2 GLU 309.A OE2 no hydrogen 2.681 N/A VAL 356.A N PHE 352.A O no hydrogen 3.203 N/A ALA 357.A N PRO 328.A O no hydrogen 2.888 N/A ASN 358.A ND2 VAL 330.A O no hydrogen 2.769 N/A ASN 358.A ND2 ASP 361.A O no hydrogen 2.536 N/A HIS 364.A N LEU 332.A O no hydrogen 2.989 N/A PHE 366.A N VAL 334.A O no hydrogen 3.176 N/A