Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k3b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ILE 4.A O no hydrogen 3.427 N/A GLN 5.A N THR 301.A O no hydrogen 2.833 N/A GLN 5.A NE2 LYS 2.A O no hydrogen 2.959 N/A VAL 6.A N ASP 54.A OD2 no hydrogen 2.870 N/A VAL 7.A N ILE 303.A O no hydrogen 2.894 N/A VAL 8.A N MET 55.A O no hydrogen 3.142 N/A ARG 9.A N ALA 305.A O no hydrogen 2.877 N/A ARG 9.A NH1 GLN 63.A OE1 no hydrogen 2.842 N/A ARG 9.A NH1 THR 99.A OG1 no hydrogen 3.034 N/A ARG 9.A NH2 THR 61.A O no hydrogen 3.110 N/A ARG 9.A NH2 GLN 63.A OE1 no hydrogen 3.205 N/A CYS 10.A N PHE 57.A O no hydrogen 2.909 N/A CYS 10.A SG ARG 11.A O no hydrogen 3.453 N/A CYS 10.A SG ILE 307.A O no hydrogen 3.928 N/A ARG 11.A N ILE 307.A O no hydrogen 3.091 N/A ARG 11.A NE GLY 93.A O no hydrogen 2.702 N/A ARG 11.A NH1 PRO 12.A O no hydrogen 2.892 N/A ARG 11.A NH1 GLU 17.A OE1 no hydrogen 2.889 N/A ARG 11.A NH1 GLU 17.A OE2 no hydrogen 3.259 N/A ARG 11.A NH2 GLU 17.A OE2 no hydrogen 2.915 N/A ARG 11.A NH2 GLY 93.A O no hydrogen 3.437 N/A ASN 14.A N GLU 17.A OE1 no hydrogen 2.913 N/A GLU 17.A N ASN 14.A OD1 no hydrogen 2.844 N/A ARG 18.A N ASN 14.A O no hydrogen 3.321 N/A LYS 19.A N LEU 15.A O no hydrogen 3.002 N/A ALA 20.A N ALA 16.A O no hydrogen 3.046 N/A SER 21.A N ARG 18.A O no hydrogen 2.958 N/A ALA 22.A N GLU 17.A O no hydrogen 2.792 N/A HIS 23.A N SER 311.A OG no hydrogen 3.117 N/A ILE 25.A N PRO 309.A O no hydrogen 3.073 N/A GLU 27.A N SER 36.A O no hydrogen 2.883 N/A ASP 29.A N GLU 34.A O no hydrogen 2.927 N/A VAL 31.A N ASP 29.A OD1 no hydrogen 3.110 N/A ARG 32.A N ASP 29.A OD1 no hydrogen 3.308 N/A ARG 32.A NE GLU 34.A OE1 no hydrogen 3.249 N/A ARG 32.A NH1 PRO 334.A O no hydrogen 3.331 N/A ARG 32.A NH2 GLU 34.A OE2 no hydrogen 3.076 N/A ARG 32.A NH2 LYS 333.A O no hydrogen 3.401 N/A ARG 32.A NH2 PRO 334.A O no hydrogen 3.181 N/A GLU 34.A N ASP 29.A O no hydrogen 3.006 N/A VAL 35.A N TYR 51.A O no hydrogen 2.878 N/A SER 36.A N GLU 27.A O no hydrogen 2.829 N/A SER 36.A OG THR 50.A OG1 no hydrogen 2.964 N/A VAL 37.A N LYS 49.A O no hydrogen 2.976 N/A ARG 38.A N ILE 25.A O no hydrogen 2.849 N/A THR 39.A N SER 47.A O no hydrogen 2.740 N/A LYS 49.A N VAL 37.A O no hydrogen 2.875 N/A THR 50.A OG1 SER 36.A OG no hydrogen 2.964 N/A TYR 51.A N VAL 35.A O no hydrogen 2.926 N/A TYR 51.A OH GLU 322.A OE2 no hydrogen 2.896 N/A THR 52.A OG1 ASN 332.A OD1 no hydrogen 2.982 N/A PHE 53.A N LYS 33.A O no hydrogen 2.900 N/A ASP 54.A N VAL 6.A O no hydrogen 2.971 N/A PHE 57.A N VAL 8.A O no hydrogen 2.635 N/A THR 61.A N GLY 58.A O no hydrogen 3.142 N/A THR 61.A OG1 GLY 58.A O no hydrogen 2.980 N/A LYS 62.A N ASP 65.A OD2 no hydrogen 3.373 N/A GLN 63.A NE2 PHE 98.A O no hydrogen 2.595 N/A GLN 63.A NE2 LEU 117.A O no hydrogen 2.919 N/A VAL 66.A N LYS 62.A O no hydrogen 3.237 N/A TYR 67.A N GLN 63.A O no hydrogen 3.098 N/A ARG 68.A N ILE 64.A O no hydrogen 3.006 N/A SER 69.A N ASP 65.A O no hydrogen 3.094 N/A SER 69.A OG ASP 65.A O no hydrogen 3.379 N/A VAL 70.A N VAL 66.A O no hydrogen 2.950 N/A VAL 71.A N TYR 67.A O no hydrogen 2.816 N/A CYS 72.A N TYR 67.A O no hydrogen 3.028 N/A CYS 72.A SG TYR 67.A O no hydrogen 4.043 N/A LEU 75.A N VAL 71.A O no hydrogen 2.708 N/A ASP 76.A N CYS 72.A O no hydrogen 3.002 N/A GLU 77.A N PRO 73.A O no hydrogen 3.335 N/A VAL 78.A N ILE 74.A O no hydrogen 2.895 N/A ILE 79.A N LEU 75.A O no hydrogen 2.819 N/A MET 80.A N ASP 76.A O no hydrogen 3.085 N/A MET 80.A N GLU 77.A O no hydrogen 3.218 N/A GLY 81.A N VAL 78.A O no hydrogen 2.934 N/A TYR 82.A N GLU 77.A O no hydrogen 3.256 N/A CYS 84.A N LYS 245.A O no hydrogen 2.688 N/A CYS 84.A SG ILE 74.A O no hydrogen 3.918 N/A THR 85.A N ARG 300.A O no hydrogen 3.364 N/A THR 85.A OG1 SER 294.A O no hydrogen 3.426 N/A ILE 86.A N ASN 247.A O no hydrogen 2.882 N/A PHE 87.A N SER 302.A O no hydrogen 2.802 N/A ALA 88.A N VAL 249.A O no hydrogen 2.786 N/A TYR 89.A N ILE 304.A O no hydrogen 2.901 N/A GLN 91.A NE2 ASN 313.A OD1 no hydrogen 2.903 N/A THR 92.A N GLU 255.A OE1.A no hydrogen 2.886 N/A THR 92.A N GLU 255.A OE1.B no hydrogen 2.900 N/A THR 92.A OG1 SER 218.A OG no hydrogen 3.341 N/A THR 92.A OG1 GLU 255.A OE1.A no hydrogen 3.040 N/A THR 92.A OG1 GLU 255.A OE1.B no hydrogen 2.959 N/A THR 92.A OG1 GLU 255.A OE2.A no hydrogen 2.525 N/A THR 92.A OG1 GLU 255.A OE2.B no hydrogen 2.578 N/A THR 94.A N GLN 91.A O no hydrogen 3.303 N/A THR 94.A OG1 GLN 91.A O no hydrogen 2.547 N/A THR 94.A OG1 THR 306.A O no hydrogen 3.345 N/A THR 94.A OG1 THR 306.A OG1 no hydrogen 2.934 N/A THR 97.A OG1 ASP 250.A OD2 no hydrogen 2.480 N/A THR 99.A N GLY 95.A O no hydrogen 2.919 N/A THR 99.A OG1 GLY 95.A O no hydrogen 2.744 N/A MET 100.A N LYS 96.A O no hydrogen 2.906 N/A GLU 101.A N THR 97.A O no hydrogen 2.776 N/A GLY 102.A N THR 97.A O no hydrogen 3.058 N/A GLU 103.A N LEU 117.A O no hydrogen 2.941 N/A ARG 104.A NH1 TYR 110.A O no hydrogen 3.540 N/A ARG 104.A NH2 TYR 110.A O no hydrogen 3.177 N/A SER 105.A N ASP 115.A OD1 no hydrogen 2.667 N/A SER 105.A OG ASP 115.A OD2 no hydrogen 2.770 N/A GLU 114.A N THR 111.A O no hydrogen 3.312 N/A LEU 117.A N ASP 115.A OD2 no hydrogen 3.053 N/A ALA 118.A N ASP 115.A O no hydrogen 3.087 N/A GLY 119.A N GLU 101.A O no hydrogen 3.024 N/A ILE 120.A N THR 99.A O no hydrogen 2.916 N/A ILE 121.A N MET 100.A O no hydrogen 2.780 N/A ARG 123.A N GLY 119.A O no hydrogen 3.293 N/A ARG 123.A NE ALA 118.A O no hydrogen 2.854 N/A ARG 123.A NH2 PRO 116.A O no hydrogen 2.980 N/A ARG 123.A NH2 ALA 118.A O no hydrogen 3.425 N/A THR 124.A N ILE 120.A O no hydrogen 2.847 N/A THR 124.A OG1 ILE 120.A O no hydrogen 2.790 N/A LEU 125.A N ILE 121.A O no hydrogen 3.115 N/A HIS 126.A N PRO 122.A O no hydrogen 2.997 N/A GLN 127.A N ARG 123.A O no hydrogen 2.961 N/A ILE 128.A N THR 124.A O no hydrogen 2.874 N/A PHE 129.A N LEU 125.A O no hydrogen 3.392 N/A GLU 130.A N HIS 126.A O no hydrogen 2.994 N/A LYS 131.A N GLN 127.A O no hydrogen 2.826 N/A LYS 131.A NZ ASP 76.A OD1 no hydrogen 3.447 N/A LEU 132.A N ILE 128.A O no hydrogen 3.108 N/A THR 133.A N PHE 129.A O no hydrogen 3.120 N/A THR 133.A OG1 PHE 129.A O no hydrogen 2.583 N/A ASP 134.A N GLU 130.A O no hydrogen 2.919 N/A ASN 135.A N LYS 131.A O no hydrogen 3.170 N/A GLY 136.A N THR 133.A O no hydrogen 3.271 N/A THR 137.A N LEU 132.A O no hydrogen 3.059 N/A THR 137.A N ASN 135.A OD1 no hydrogen 3.305 N/A THR 137.A OG1 ASN 135.A OD1 no hydrogen 2.716 N/A GLU 138.A N LYS 231.A O no hydrogen 2.787 N/A SER 140.A N HIS 229.A O no hydrogen 3.037 N/A LYS 142.A N THR 227.A O no hydrogen 3.072 N/A VAL 143.A N ILE 187.A O no hydrogen 2.820 N/A SER 144.A N SER 225.A O no hydrogen 2.904 N/A LEU 146.A N VAL 223.A O no hydrogen 3.118 N/A GLU 147.A N PHE 154.A O no hydrogen 2.901 N/A ILE 148.A N HIS 221.A O no hydrogen 2.833 N/A TYR 149.A N GLU 152.A O no hydrogen 2.953 N/A GLU 152.A N TYR 149.A O no hydrogen 3.007 N/A PHE 154.A N GLU 147.A O no hydrogen 3.121 N/A LEU 156.A N LEU 145.A O no hydrogen 2.871 N/A LEU 157.A N ASP 155.A OD1 no hydrogen 3.181 N/A LEU 167.A N LEU 153.A O no hydrogen 2.924 N/A PHE 170.A N ILE 180.A O no hydrogen 2.882 N/A ASP 172.A N GLY 178.A O no hydrogen 3.290 N/A ASN 175.A N ASP 172.A O no hydrogen 3.328 N/A GLY 178.A N ASN 175.A O no hydrogen 3.016 N/A ILE 180.A N PHE 170.A O no hydrogen 2.716 N/A LYS 182.A N GLN 168.A O no hydrogen 2.986 N/A LEU 184.A N ILE 181.A O no hydrogen 2.999 N/A GLU 185.A N ASP 155.A OD2 no hydrogen 2.748 N/A ILE 187.A N VAL 143.A O no hydrogen 3.001 N/A VAL 189.A N VAL 141.A O no hydrogen 2.818 N/A HIS 190.A N GLU 194.A OE1 no hydrogen 3.009 N/A HIS 190.A ND1 GLU 194.A OE1 no hydrogen 2.544 N/A LYS 192.A NZ GLU 130.A OE2 no hydrogen 3.462 N/A ASP 193.A N ASN 191.A OD1 no hydrogen 3.140 N/A GLU 194.A N ASN 191.A O no hydrogen 2.865 N/A ILE 198.A N GLU 194.A O no hydrogen 3.193 N/A LEU 199.A N VAL 195.A O no hydrogen 2.964 N/A GLU 200.A N TYR 196.A O no hydrogen 3.006 N/A LYS 201.A N GLN 197.A O no hydrogen 3.159 N/A GLY 202.A N ILE 198.A O no hydrogen 3.159 N/A ALA 203.A N LEU 199.A O no hydrogen 2.966 N/A ALA 204.A N GLU 200.A O no hydrogen 2.858 N/A LYS 205.A N LYS 201.A O no hydrogen 2.888 N/A LYS 205.A NZ ASN 158.A O no hydrogen 2.852 N/A ARG 206.A N GLY 202.A O no hydrogen 3.036 N/A ARG 206.A NH1 GLU 147.A OE1 no hydrogen 2.956 N/A ARG 206.A NH1 SER 222.A OG no hydrogen 3.012 N/A ARG 206.A NH2 SER 222.A OG no hydrogen 3.234 N/A THR 207.A N ALA 203.A O no hydrogen 3.107 N/A THR 207.A OG1 ALA 203.A O no hydrogen 2.953 N/A THR 208.A N ALA 204.A O no hydrogen 3.118 N/A THR 208.A OG1 ALA 204.A O no hydrogen 3.221 N/A ALA 209.A N LYS 205.A O no hydrogen 3.192 N/A ALA 210.A N ARG 206.A O no hydrogen 3.318 N/A THR 211.A N THR 207.A O no hydrogen 3.044 N/A THR 211.A OG1 THR 207.A O no hydrogen 2.932 N/A LEU 212.A N THR 208.A O no hydrogen 3.042 N/A MET 213.A N ALA 209.A O no hydrogen 2.869 N/A ALA 215.A N ALA 209.A O no hydrogen 3.338 N/A TYR 216.A N ASN 214.A O no hydrogen 3.001 N/A SER 218.A OG THR 92.A OG1 no hydrogen 3.341 N/A ARG 219.A N TYR 216.A O no hydrogen 2.842 N/A SER 220.A N SER 217.A O no hydrogen 3.439 N/A SER 220.A OG TYR 216.A O no hydrogen 3.403 N/A HIS 221.A N ILE 148.A O no hydrogen 2.818 N/A HIS 221.A NE2 SER 262.A OG no hydrogen 2.819 N/A SER 222.A N ASP 250.A O no hydrogen 2.857 N/A VAL 223.A N LEU 146.A O no hydrogen 2.850 N/A PHE 224.A N LEU 248.A O no hydrogen 3.308 N/A SER 225.A N SER 144.A O no hydrogen 2.882 N/A SER 225.A OG ASN 247.A OD1 no hydrogen 2.632 N/A VAL 226.A N LEU 246.A O no hydrogen 2.961 N/A THR 227.A N LYS 142.A O no hydrogen 2.848 N/A ILE 228.A N GLY 244.A O no hydrogen 2.845 N/A HIS 229.A N SER 140.A O no hydrogen 3.046 N/A MET 230.A N LYS 242.A O no hydrogen 2.787 N/A LYS 231.A N GLU 138.A O no hydrogen 2.701 N/A GLU 232.A N LEU 240.A O no hydrogen 2.876 N/A THR 233.A OG1 GLU 239.A OE2 no hydrogen 2.829 N/A THR 234.A N GLU 238.A O no hydrogen 3.313 N/A GLY 237.A N THR 234.A O no hydrogen 3.050 N/A LEU 240.A N GLU 232.A O no hydrogen 2.902 N/A LYS 242.A N MET 230.A O no hydrogen 2.768 N/A LYS 242.A NZ ILE 79.A O no hydrogen 2.831 N/A LYS 242.A NZ GLU 232.A OE1 no hydrogen 2.808 N/A GLY 244.A N ILE 228.A O no hydrogen 2.932 N/A LYS 245.A N TYR 82.A O no hydrogen 2.986 N/A LYS 245.A NZ THR 227.A OG1 no hydrogen 2.847 N/A LEU 246.A N VAL 226.A O no hydrogen 3.010 N/A ASN 247.A N CYS 84.A O no hydrogen 2.911 N/A ASN 247.A ND2 ASN 83.A OD1 no hydrogen 3.629 N/A ASN 247.A ND2 CYS 84.A O no hydrogen 3.521 N/A LEU 248.A N PHE 224.A O no hydrogen 2.816 N/A VAL 249.A N ILE 86.A O no hydrogen 2.811 N/A ASP 250.A N SER 222.A O no hydrogen 2.865 N/A LEU 251.A N ALA 88.A O no hydrogen 3.156 N/A ALA 252.A N HIS 221.A ND1 no hydrogen 2.978 N/A GLY 253.A N SER 218.A O no hydrogen 2.884 N/A SER 254.A N GLY 90.A O no hydrogen 2.892 N/A SER 254.A OG THR 320.A OG1 no hydrogen 3.353 N/A GLU 255.A N GLU 255.A OE1.A no hydrogen 2.743 N/A GLU 255.A N GLU 255.A OE1.B no hydrogen 2.812 N/A GLN 261.A N GLY 257.A O no hydrogen 3.146 N/A GLN 261.A NE2 GLU 284.A O no hydrogen 3.041 N/A SER 262.A N ASN 258.A O no hydrogen 3.250 N/A SER 262.A OG HIS 221.A NE2 no hydrogen 2.819 N/A SER 262.A OG ILE 259.A O no hydrogen 3.233 N/A LEU 263.A N ILE 259.A O no hydrogen 2.881 N/A LEU 264.A N ASN 260.A O no hydrogen 2.958 N/A THR 265.A N GLN 261.A O no hydrogen 2.798 N/A THR 265.A OG1 GLN 261.A O no hydrogen 2.754 N/A THR 265.A OG1 GLN 261.A OE1 no hydrogen 3.303 N/A LEU 266.A N SER 262.A O no hydrogen 2.973 N/A GLY 267.A N LEU 263.A O no hydrogen 3.047 N/A ARG 268.A N LEU 264.A O no hydrogen 3.078 N/A VAL 269.A N THR 265.A O no hydrogen 2.925 N/A ILE 270.A N LEU 266.A O no hydrogen 3.053 N/A THR 271.A N GLY 267.A O no hydrogen 3.084 N/A THR 271.A OG1 GLY 267.A O no hydrogen 2.926 N/A THR 271.A OG1 ARG 326.A O no hydrogen 2.761 N/A THR 271.A OG1 ALA 327.A O no hydrogen 3.428 N/A ALA 272.A N ARG 268.A O no hydrogen 3.000 N/A LEU 273.A N VAL 269.A O no hydrogen 3.040 N/A VAL 274.A N ILE 270.A O no hydrogen 2.934 N/A GLU 275.A N THR 271.A O no hydrogen 2.648 N/A ARG 276.A N LEU 273.A O no hydrogen 3.279 N/A THR 277.A N ALA 272.A O no hydrogen 2.886 N/A THR 277.A OG1 HIS 279.A O no hydrogen 2.821 N/A TYR 282.A N VAL 280.A O no hydrogen 2.828 N/A ARG 283.A NH1 ASP 171.A OD1 no hydrogen 2.698 N/A ARG 283.A NH1 ASP 171.A OD2 no hydrogen 2.835 N/A ARG 283.A NH2 ASP 171.A OD2 no hydrogen 3.541 N/A GLU 284.A N PRO 281.A O no hydrogen 3.302 N/A SER 285.A OG THR 288.A OG1 no hydrogen 2.892 N/A LYS 286.A NZ GLU 151.A O no hydrogen 2.241 N/A THR 288.A N SER 285.A OG no hydrogen 3.203 N/A THR 288.A OG1 TYR 282.A O no hydrogen 2.688 N/A THR 288.A OG1 SER 285.A O no hydrogen 3.347 N/A THR 288.A OG1 SER 285.A OG no hydrogen 2.892 N/A ARG 289.A N SER 285.A O no hydrogen 3.233 N/A ILE 290.A N LYS 286.A O no hydrogen 2.990 N/A LEU 291.A N LEU 287.A O no hydrogen 3.172 N/A GLN 292.A N ARG 289.A O no hydrogen 3.411 N/A SER 294.A N LEU 291.A O no hydrogen 2.889 N/A SER 294.A OG ASN 83.A OD1 no hydrogen 2.506 N/A LEU 295.A N GLN 292.A O no hydrogen 3.251 N/A THR 299.A OG1 ASN 83.A O no hydrogen 2.404 N/A THR 299.A OG1 SER 294.A O no hydrogen 3.303 N/A THR 299.A OG1 ARG 300.A O no hydrogen 3.486 N/A THR 301.A N ASN 3.A O no hydrogen 3.079 N/A SER 302.A N THR 85.A O no hydrogen 3.055 N/A ILE 303.A N GLN 5.A O no hydrogen 2.826 N/A ILE 304.A N PHE 87.A O no hydrogen 2.919 N/A ALA 305.A N VAL 7.A O no hydrogen 2.875 N/A THR 306.A N TYR 89.A O no hydrogen 2.659 N/A THR 306.A OG1 TYR 89.A O no hydrogen 3.115 N/A THR 306.A OG1 THR 94.A OG1 no hydrogen 2.934 N/A ILE 307.A N ARG 9.A O no hydrogen 3.017 N/A SER 308.A OG GLU 17.A OE2 no hydrogen 2.647 N/A ALA 310.A N SER 308.A OG no hydrogen 3.006 N/A SER 311.A N HIS 23.A O no hydrogen 2.801 N/A ASN 313.A N ALA 310.A O no hydrogen 3.077 N/A ASN 313.A ND2 SER 308.A OG no hydrogen 3.343 N/A LEU 314.A N SER 311.A O no hydrogen 3.111 N/A THR 317.A N ASN 313.A O no hydrogen 2.956 N/A THR 317.A OG1 SER 308.A O no hydrogen 3.457 N/A THR 317.A OG1 ASN 313.A O no hydrogen 3.041 N/A LEU 318.A N LEU 314.A O no hydrogen 2.958 N/A SER 319.A N GLU 315.A O no hydrogen 2.979 N/A THR 320.A N GLU 316.A O no hydrogen 2.892 N/A THR 320.A OG1 SER 254.A OG no hydrogen 3.353 N/A THR 320.A OG1 GLU 316.A O no hydrogen 2.977 N/A LEU 321.A N THR 317.A O no hydrogen 2.879 N/A GLU 322.A N LEU 318.A O no hydrogen 2.746 N/A TYR 323.A N SER 319.A O no hydrogen 2.921 N/A TYR 323.A OH LEU 263.A O no hydrogen 2.613 N/A ALA 324.A N THR 320.A O no hydrogen 2.943 N/A HIS 325.A N LEU 321.A O no hydrogen 2.901 N/A ARG 326.A N GLU 322.A O no hydrogen 2.743 N/A ALA 327.A N TYR 323.A O no hydrogen 2.950 N/A LYS 328.A N ALA 324.A O no hydrogen 3.293 N/A LYS 328.A NZ ILE 4.A O no hydrogen 2.898 N/A LYS 328.A NZ ASP 54.A OD1 no hydrogen 3.037 N/A LYS 328.A NZ ASP 54.A OD2 no hydrogen 2.952 N/A ILE 330.A N LYS 328.A O no hydrogen 2.820 N/A ASN 332.A ND2 THR 50.A O no hydrogen 2.926 N/A LYS 333.A NZ ARG 32.A O no hydrogen 3.011 N/A