Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1x8k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A OH SER 163.A O no hydrogen 2.729 N/A ARG 9.A N LYS 32.A O no hydrogen 3.028 N/A ARG 9.A NH1 GLU 10.A O no hydrogen 2.921 N/A ARG 9.A NH1 GLU 15.A OE1 no hydrogen 3.330 N/A ARG 9.A NH2 GLU 15.A OE1 no hydrogen 3.440 N/A ARG 9.A NH2 GLU 15.A OE2 no hydrogen 3.387 N/A ASN 12.A N GLU 15.A OE1 no hydrogen 3.235 N/A GLU 14.A N ASN 12.A OD1 no hydrogen 3.084 N/A GLU 15.A N ASN 12.A OD1 no hydrogen 3.076 N/A ASP 16.A N ASN 12.A O no hydrogen 2.860 N/A LYS 17.A N PRO 13.A O no hydrogen 3.036 N/A LEU 18.A N GLU 14.A O no hydrogen 3.109 N/A VAL 19.A N GLU 15.A O no hydrogen 3.073 N/A LYS 20.A N ASP 16.A O no hydrogen 2.760 N/A ALA 21.A N LYS 17.A O no hydrogen 3.184 N/A ASN 22.A N VAL 19.A O no hydrogen 2.821 N/A ASN 22.A ND2 SER 203.A OG no hydrogen 3.396 N/A LEU 23.A N VAL 19.A O no hydrogen 2.833 N/A ALA 25.A N ASN 200.A OD1 no hydrogen 3.066 N/A THR 28.A OG1 ILE 106.A O no hydrogen 2.693 N/A THR 28.A OG1 TYR 115.A OH no hydrogen 2.692 N/A TYR 30.A OH THR 218.A OG1 no hydrogen 2.798 N/A VAL 31.A N VAL 40.A O no hydrogen 2.875 N/A LYS 32.A N ARG 9.A O no hydrogen 2.942 N/A LYS 32.A NZ GLU 15.A OE2 no hydrogen 2.563 N/A LEU 33.A N TYR 38.A O no hydrogen 2.738 N/A GLY 34.A N GLU 7.A O no hydrogen 3.025 N/A LYS 36.A NZ GLU 228.A OE2 no hydrogen 2.693 N/A GLY 37.A N GLY 34.A O no hydrogen 3.200 N/A TYR 38.A N LEU 33.A O no hydrogen 3.114 N/A TYR 38.A OH GLU 228.A OE2 no hydrogen 2.531 N/A MET 39.A N THR 220.A O no hydrogen 2.850 N/A VAL 40.A N VAL 31.A O no hydrogen 2.982 N/A ARG 42.A N THR 29.A O no hydrogen 2.847 N/A ARG 42.A NH2 GLU 10.A OE1 no hydrogen 2.672 N/A TYR 44.A N TYR 41.A O no hydrogen 2.676 N/A LEU 45.A N ARG 42.A O no hydrogen 3.020 N/A ASP 47.A N TYR 44.A O no hydrogen 3.263 N/A ALA 48.A N LEU 45.A O no hydrogen 3.147 N/A ASN 50.A ND2 ASP 47.A OD1 no hydrogen 3.387 N/A ILE 51.A N ASP 47.A O no hydrogen 3.235 N/A TYR 52.A N ALA 48.A O no hydrogen 3.287 N/A ASN 53.A ND2 LEU 2.A O no hydrogen 3.158 N/A ASN 53.A ND2 ALA 49.A O no hydrogen 2.816 N/A MET 54.A N ILE 51.A O no hydrogen 3.115 N/A ARG 57.A N ASP 60.A OD2 no hydrogen 3.101 N/A ARG 57.A NH1 VAL 148.A O no hydrogen 3.078 N/A ARG 57.A NH2 VAL 148.A O no hydrogen 3.053 N/A ASP 60.A N ARG 57.A O no hydrogen 2.909 N/A VAL 61.A N ARG 154.A O no hydrogen 3.258 N/A PHE 62.A N LYS 174.A O no hydrogen 2.704 N/A VAL 63.A N VAL 156.A O no hydrogen 2.837 N/A ALA 64.A N VAL 176.A O no hydrogen 2.862 N/A SER 65.A OG TYR 66.A O no hydrogen 3.305 N/A SER 65.A OG THR 71.A OG1 no hydrogen 2.777 N/A SER 65.A OG HIS 159.A ND1 no hydrogen 3.179 N/A TYR 66.A OH THR 218.A O no hydrogen 2.989 N/A ARG 68.A NE SER 188.A OG no hydrogen 2.928 N/A ARG 68.A NH1 PHE 305.A O no hydrogen 3.025 N/A ARG 68.A NH2 SER 188.A OG no hydrogen 3.372 N/A ARG 68.A NH2 PHE 305.A O no hydrogen 2.810 N/A SER 69.A OG TYR 66.A O no hydrogen 2.536 N/A SER 69.A OG GLN 67.A O no hydrogen 3.397 N/A THR 71.A OG1 SER 65.A OG no hydrogen 2.777 N/A THR 74.A N GLY 70.A O no hydrogen 3.115 N/A THR 74.A OG1 GLY 70.A O no hydrogen 2.702 N/A THR 74.A OG1 TYR 246.A OH no hydrogen 2.523 N/A GLN 75.A N THR 71.A O no hydrogen 2.772 N/A GLU 76.A N THR 72.A O no hydrogen 3.046 N/A LEU 77.A N MET 73.A O no hydrogen 2.944 N/A VAL 78.A N THR 74.A O no hydrogen 2.727 N/A TRP 79.A N GLN 75.A O no hydrogen 2.874 N/A LEU 80.A N GLU 76.A O no hydrogen 2.976 N/A ILE 81.A N LEU 77.A O no hydrogen 2.898 N/A GLU 82.A N VAL 78.A O no hydrogen 3.039 N/A ASN 83.A N TRP 79.A O no hydrogen 3.047 N/A ASN 83.A N LEU 80.A O no hydrogen 3.034 N/A ASN 83.A ND2 TRP 79.A O no hydrogen 3.104 N/A ASP 84.A N ILE 81.A O no hydrogen 3.336 N/A LEU 85.A N LEU 80.A O no hydrogen 2.841 N/A ASN 86.A N ASN 83.A O no hydrogen 3.242 N/A PHE 87.A N LEU 85.A O no hydrogen 2.982 N/A ALA 89.A N ASN 86.A OD1 no hydrogen 3.067 N/A ALA 90.A N ASN 86.A O no hydrogen 3.361 N/A ALA 90.A N PHE 87.A O no hydrogen 2.828 N/A LYS 91.A N GLU 88.A O no hydrogen 3.310 N/A LYS 91.A NZ GLU 88.A OE1 no hydrogen 2.821 N/A LYS 91.A NZ GLU 88.A OE2 no hydrogen 3.397 N/A THR 92.A OG1 ALA 89.A O no hydrogen 3.533 N/A MET 94.A N ALA 287.A O no hydrogen 3.071 N/A LEU 96.A N TYR 93.A O no hydrogen 2.798 N/A ARG 97.A N TYR 93.A O no hydrogen 3.051 N/A ARG 97.A N MET 94.A O no hydrogen 2.727 N/A ARG 97.A NE THR 92.A O no hydrogen 3.048 N/A ARG 97.A NH1 GLU 76.A OE2 no hydrogen 2.909 N/A ARG 97.A NH2 GLU 76.A OE2 no hydrogen 3.176 N/A ARG 97.A NH2 THR 92.A O no hydrogen 3.313 N/A TYR 98.A N MET 94.A O no hydrogen 2.805 N/A TYR 98.A OH GLN 75.A O no hydrogen 2.686 N/A ILE 99.A N PHE 155.A O no hydrogen 2.845 N/A LEU 101.A N LYS 157.A O no hydrogen 2.933 N/A GLY 103.A N TYR 100.A O no hydrogen 3.031 N/A MET 105.A N ASP 102.A O no hydrogen 3.443 N/A TYR 107.A N PHE 104.A O no hydrogen 3.265 N/A ASP 108.A N TYR 115.A OH no hydrogen 2.910 N/A GLU 110.A N ASP 108.A OD2 no hydrogen 3.047 N/A LYS 111.A N ASP 108.A O no hydrogen 2.683 N/A LYS 111.A NZ PRO 27.A O no hydrogen 3.258 N/A LYS 111.A NZ ASP 108.A OD1 no hydrogen 3.301 N/A GLN 112.A N PRO 109.A O no hydrogen 3.430 N/A GLU 113.A N GLU 113.A OE2 no hydrogen 2.707 N/A GLU 114.A N LYS 111.A O no hydrogen 2.820 N/A TYR 115.A N GLN 112.A O no hydrogen 3.461 N/A TYR 115.A OH THR 28.A OG1 no hydrogen 2.692 N/A ASP 117.A N GLU 114.A O no hydrogen 3.147 N/A LEU 119.A N ASN 116.A O no hydrogen 3.103 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.932 N/A ASN 124.A N ASN 121.A O no hydrogen 3.233 N/A LEU 125.A N PRO 122.A O no hydrogen 3.501 N/A ASP 126.A N ILE 296.A O no hydrogen 3.059 N/A TYR 130.A N ASP 126.A O no hydrogen 2.733 N/A LEU 131.A N MET 127.A O no hydrogen 2.862 N/A GLY 132.A N GLU 128.A O no hydrogen 3.191 N/A LEU 133.A N ARG 129.A O no hydrogen 2.983 N/A LEU 134.A N TYR 130.A O no hydrogen 3.077 N/A GLU 135.A N LEU 131.A O no hydrogen 2.951 N/A TYR 136.A N GLY 132.A O no hydrogen 2.918 N/A SER 137.A N LEU 133.A O no hydrogen 2.952 N/A SER 137.A OG LEU 133.A O no hydrogen 3.453 N/A SER 138.A N GLU 135.A O no hydrogen 3.230 N/A SER 138.A OG LEU 134.A O no hydrogen 2.765 N/A ARG 139.A N TYR 136.A O no hydrogen 3.005 N/A SER 142.A N ASP 47.A OD2 no hydrogen 3.311 N/A SER 142.A OG ASP 47.A OD1 no hydrogen 2.789 N/A SER 142.A OG ASP 47.A OD2 no hydrogen 3.071 N/A LEU 144.A N GLY 141.A O no hydrogen 2.891 N/A LEU 145.A N GLY 141.A O no hydrogen 3.148 N/A ALA 146.A N SER 142.A O no hydrogen 3.101 N/A ALA 147.A N SER 143.A O no hydrogen 2.977 N/A VAL 148.A N LEU 145.A O no hydrogen 3.119 N/A GLU 152.A N PRO 149.A O no hydrogen 3.141 N/A LYS 153.A NZ THR 59.A O no hydrogen 2.657 N/A LYS 153.A NZ GLU 82.A OE1 no hydrogen 3.318 N/A ARG 154.A NE ASP 60.A OD1 no hydrogen 3.112 N/A ARG 154.A NE ASP 60.A OD2 no hydrogen 3.129 N/A ARG 154.A NH1 LEU 145.A O no hydrogen 3.038 N/A ARG 154.A NH2 PRO 55.A O no hydrogen 2.844 N/A ARG 154.A NH2 ASP 60.A OD2 no hydrogen 2.473 N/A VAL 156.A N VAL 61.A O no hydrogen 2.933 N/A LYS 157.A N ILE 99.A O no hydrogen 2.596 N/A THR 158.A N VAL 63.A O no hydrogen 3.204 N/A THR 158.A OG1 ASP 102.A OD1 no hydrogen 3.163 N/A HIS 159.A N ASP 102.A OD1 no hydrogen 3.095 N/A HIS 159.A ND1 SER 65.A O no hydrogen 3.128 N/A LEU 160.A N THR 158.A OG1 no hydrogen 3.058 N/A SER 163.A N GLU 228.A OE1 no hydrogen 2.653 N/A SER 163.A OG GLU 228.A OE1 no hydrogen 2.746 N/A SER 163.A OG GLU 228.A OE2 no hydrogen 2.706 N/A LEU 164.A N PRO 161.A O no hydrogen 3.350 N/A MET 165.A N LEU 162.A O no hydrogen 3.033 N/A MET 169.A N PRO 166.A O no hydrogen 3.179 N/A ASP 171.A N ASN 168.A O no hydrogen 3.020 N/A THR 172.A N MET 169.A O no hydrogen 2.694 N/A VAL 173.A N MET 169.A O no hydrogen 2.938 N/A LYS 174.A N ASP 60.A O no hydrogen 3.341 N/A LYS 174.A NZ PHE 260.A O no hydrogen 3.415 N/A MET 175.A N ASN 237.A O no hydrogen 2.858 N/A VAL 176.A N PHE 62.A O no hydrogen 2.793 N/A TYR 177.A N LEU 239.A O no hydrogen 2.780 N/A TYR 177.A OH HIS 225.A ND1 no hydrogen 2.781 N/A LEU 178.A N ALA 64.A O no hydrogen 2.944 N/A ALA 179.A N LEU 241.A O no hydrogen 2.783 N/A ARG 180.A NH1 ARG 68.A O no hydrogen 2.819 N/A ARG 180.A NH2 LYS 310.A O no hydrogen 3.202 N/A ASP 181.A N GLU 244.A OE2 no hydrogen 2.952 N/A ARG 183.A N ASP 181.A OD1 no hydrogen 3.335 N/A ARG 183.A NE ASP 181.A OD1 no hydrogen 2.828 N/A ARG 183.A NH2 ASP 181.A OD1 no hydrogen 3.099 N/A ARG 183.A NH2 ASP 181.A OD2 no hydrogen 2.790 N/A VAL 185.A N ASP 181.A O no hydrogen 3.013 N/A ALA 186.A N PRO 182.A O no hydrogen 2.777 N/A VAL 187.A N ARG 183.A O no hydrogen 3.316 N/A SER 188.A N ASP 184.A O no hydrogen 2.840 N/A SER 189.A N VAL 185.A O no hydrogen 2.716 N/A SER 189.A OG GLN 67.A OE1 no hydrogen 2.904 N/A SER 189.A OG VAL 185.A O no hydrogen 3.077 N/A PHE 190.A N ALA 186.A O no hydrogen 2.803 N/A HIS 191.A N VAL 187.A O no hydrogen 3.167 N/A HIS 191.A ND1 GLU 303.A OE1 no hydrogen 3.104 N/A HIS 191.A ND1 GLU 303.A OE2 no hydrogen 2.784 N/A HIS 191.A NE2 TYR 317.A OH no hydrogen 2.975 N/A HIS 192.A N SER 188.A O no hydrogen 2.986 N/A ALA 193.A N SER 189.A O no hydrogen 2.954 N/A ARG 194.A N PHE 190.A O no hydrogen 3.052 N/A ARG 194.A NH2 SER 203.A O no hydrogen 2.819 N/A LEU 195.A N HIS 191.A O no hydrogen 2.664 N/A LEU 196.A N HIS 192.A O no hydrogen 3.135 N/A TYR 197.A N ARG 194.A O no hydrogen 3.271 N/A LEU 198.A N ALA 193.A O no hydrogen 2.741 N/A ASN 200.A N ASN 22.A O no hydrogen 2.772 N/A ASN 200.A ND2 LYS 20.A O no hydrogen 3.639 N/A SER 203.A N ASN 200.A O no hydrogen 2.790 N/A SER 203.A OG ALA 21.A O no hydrogen 3.404 N/A LYS 206.A NZ ASP 319.A OD1 no hydrogen 3.350 N/A ASP 207.A N ASN 204.A OD1 no hydrogen 3.047 N/A PHE 208.A N ASN 204.A O no hydrogen 3.011 N/A TRP 209.A N PHE 205.A O no hydrogen 2.686 N/A TRP 209.A NE1 GLN 325.A OE1 no hydrogen 3.152 N/A GLU 210.A N LYS 206.A O no hydrogen 2.858 N/A MET 211.A N ASP 207.A O no hydrogen 3.192 N/A PHE 212.A N PHE 208.A O no hydrogen 2.810 N/A HIS 213.A N TRP 209.A O no hydrogen 3.037 N/A HIS 213.A ND1 TRP 209.A O no hydrogen 2.732 N/A ARG 214.A N GLU 210.A O no hydrogen 3.228 N/A GLY 215.A N PHE 212.A O no hydrogen 3.026 N/A LEU 216.A N MET 211.A O no hydrogen 2.841 N/A TYR 217.A N THR 220.A OG1 no hydrogen 3.061 N/A THR 218.A OG1 TYR 30.A OH no hydrogen 2.798 N/A LEU 219.A N MET 39.A O no hydrogen 2.733 N/A THR 220.A N TYR 217.A O no hydrogen 2.898 N/A THR 220.A OG1 TYR 217.A O no hydrogen 2.537 N/A TYR 222.A OH TYR 341.A OH no hydrogen 2.895 N/A HIS 225.A N PRO 221.A O no hydrogen 3.456 N/A HIS 225.A ND1 TYR 177.A OH no hydrogen 2.781 N/A HIS 225.A NE2 HIS 159.A O no hydrogen 2.818 N/A VAL 226.A N TYR 222.A O no hydrogen 3.249 N/A LYS 227.A N PHE 223.A O no hydrogen 2.843 N/A LYS 227.A NZ ASN 333.A O no hydrogen 2.659 N/A GLU 228.A N GLU 224.A O no hydrogen 3.008 N/A TRP 230.A N VAL 226.A O no hydrogen 2.835 N/A TRP 230.A NE1 ASP 338.A OD1 no hydrogen 3.035 N/A ALA 231.A N LYS 227.A O no hydrogen 3.185 N/A LYS 232.A N ALA 229.A O no hydrogen 3.319 N/A ARG 233.A N TRP 230.A O no hydrogen 3.068 N/A ARG 233.A NE TRP 230.A O no hydrogen 3.081 N/A ARG 233.A NH1 ASP 338.A OD2 no hydrogen 3.272 N/A ARG 233.A NH2 ASP 338.A OD2 no hydrogen 2.921 N/A ASP 235.A N LYS 232.A O no hydrogen 3.305 N/A ASN 237.A N ASP 235.A OD1 no hydrogen 2.838 N/A ASN 237.A ND2 LEU 170.A O no hydrogen 2.619 N/A MET 238.A N ASP 235.A O no hydrogen 2.962 N/A LEU 239.A N MET 175.A O no hydrogen 2.819 N/A LEU 241.A N TYR 177.A O no hydrogen 2.938 N/A TYR 243.A N ALA 179.A O no hydrogen 2.757 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.744 N/A ASP 245.A N PHE 242.A O no hydrogen 2.962 N/A TYR 246.A OH THR 74.A OG1 no hydrogen 2.523 N/A LEU 247.A N GLU 244.A O no hydrogen 3.034 N/A LYS 248.A N GLU 244.A O no hydrogen 3.005 N/A ASP 249.A N ASP 245.A O no hydrogen 2.825 N/A GLY 252.A N ASP 249.A OD1 no hydrogen 3.211 N/A SER 253.A N ASP 249.A O no hydrogen 2.967 N/A SER 253.A OG ASP 249.A O no hydrogen 3.147 N/A ILE 254.A N LEU 250.A O no hydrogen 3.077 N/A ALA 255.A N PRO 251.A O no hydrogen 3.156 N/A ARG 256.A N GLY 252.A O no hydrogen 3.376 N/A ILE 257.A N SER 253.A O no hydrogen 3.002 N/A ALA 258.A N ILE 254.A O no hydrogen 2.958 N/A ASP 259.A N ALA 255.A O no hydrogen 2.999 N/A PHE 260.A N ARG 256.A O no hydrogen 2.938 N/A LEU 261.A N ILE 257.A O no hydrogen 2.832 N/A GLY 262.A N ASP 259.A O no hydrogen 3.258 N/A LYS 263.A N ALA 258.A O no hydrogen 2.812 N/A LYS 263.A NZ GLU 82.A OE2 no hydrogen 2.748 N/A SER 266.A N GLN 269.A OE1 no hydrogen 2.988 N/A SER 266.A OG GLN 269.A OE1 no hydrogen 3.051 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.890 N/A ILE 270.A N SER 266.A O no hydrogen 3.099 N/A GLN 271.A N GLU 267.A O no hydrogen 2.916 N/A ARG 272.A N GLU 268.A O no hydrogen 2.674 N/A LEU 273.A N GLN 269.A O no hydrogen 2.903 N/A SER 274.A N ILE 270.A O no hydrogen 2.698 N/A GLU 275.A N GLN 271.A O no hydrogen 2.898 N/A HIS 276.A N ARG 272.A O no hydrogen 3.213 N/A HIS 276.A NE2 GLU 76.A OE1 no hydrogen 2.658 N/A LEU 277.A N SER 274.A O no hydrogen 3.228 N/A ASN 278.A N GLU 275.A O no hydrogen 3.062 N/A PHE 282.A N ASN 278.A O no hydrogen 2.929 N/A LYS 283.A N PHE 279.A O no hydrogen 2.870 N/A LYS 283.A NZ ILE 306.A O no hydrogen 2.990 N/A ASN 284.A N GLU 280.A O no hydrogen 3.356 N/A ASN 284.A N LYS 281.A O no hydrogen 2.956 N/A ASN 284.A ND2 GLU 280.A O no hydrogen 3.081 N/A ASN 285.A N PHE 282.A O no hydrogen 2.783 N/A ALA 287.A N ASN 285.A OD1 no hydrogen 3.027 N/A VAL 288.A N ASN 285.A O no hydrogen 3.220 N/A ASN 289.A N ASN 285.A O no hydrogen 3.029 N/A ASN 289.A ND2 LYS 283.A O no hydrogen 2.827 N/A GLU 291.A N ASN 289.A OD1 no hydrogen 3.110 N/A TYR 293.A N MET 290.A O no hydrogen 3.217 N/A ARG 294.A NE GLU 291.A OE1 no hydrogen 3.320 N/A ARG 294.A NE GLU 291.A OE2 no hydrogen 2.596 N/A ARG 294.A NH1 ALA 300.A O no hydrogen 3.390 N/A ARG 294.A NH2 GLU 291.A OE1 no hydrogen 2.853 N/A ARG 294.A NH2 GLU 303.A O no hydrogen 3.008 N/A GLY 297.A N TYR 293.A O no hydrogen 3.103 N/A ALA 300.A N LEU 195.A O no hydrogen 2.897 N/A GLY 312.A N ASP 184.A OD2 no hydrogen 2.862 N/A CYS 313.A N ASP 184.A OD1 no hydrogen 3.147 N/A ASP 316.A N CYS 313.A O no hydrogen 3.138 N/A TYR 317.A N TRP 314.A O no hydrogen 2.855 N/A TYR 317.A OH HIS 191.A NE2 no hydrogen 2.975 N/A PHE 318.A N TRP 314.A O no hydrogen 3.041 N/A MET 322.A N ASP 319.A OD2 no hydrogen 2.624 N/A THR 323.A N ASP 319.A O no hydrogen 2.780 N/A THR 323.A OG1 ASP 319.A O no hydrogen 2.704 N/A LYS 324.A N GLU 320.A O no hydrogen 3.240 N/A GLN 325.A N GLU 321.A O no hydrogen 3.283 N/A ALA 326.A N MET 322.A O no hydrogen 3.005 N/A GLU 327.A N THR 323.A O no hydrogen 3.210 N/A LYS 328.A N LYS 324.A O no hydrogen 2.967 N/A LYS 328.A NZ ASP 332.A OD2 no hydrogen 3.196 N/A TRP 329.A N GLN 325.A O no hydrogen 2.962 N/A ILE 330.A N ALA 326.A O no hydrogen 2.891 N/A LYS 331.A N GLU 327.A O no hydrogen 3.039 N/A ASP 332.A N LYS 328.A O no hydrogen 2.958 N/A ASN 333.A N TRP 329.A O no hydrogen 3.111 N/A ASN 333.A ND2 TRP 329.A O no hydrogen 2.730 N/A LYS 335.A N LYS 331.A O no hydrogen 3.120 N/A ARG 340.A NE LEU 339.A O no hydrogen 3.157 N/A TYR 341.A OH TYR 222.A OH no hydrogen 2.895 N/A MET 344.A N TYR 341.A O no hydrogen 3.182 N/A