Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1yqj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 7.A NE2 ILE 350.A O no hydrogen 3.606 N/A ARG 9.A NH2 PRO 96.A O no hydrogen 2.625 N/A TYR 13.A N VAL 24.A O no hydrogen 2.860 N/A TYR 13.A OH TYR 28.A O no hydrogen 2.591 N/A ARG 14.A NE GLU 23.A OE1 no hydrogen 3.507 N/A ARG 14.A NH2 GLU 23.A OE1 no hydrogen 3.544 N/A GLN 15.A N TRP 22.A O no hydrogen 2.787 N/A LEU 17.A N THR 20.A O no hydrogen 2.588 N/A THR 20.A N LEU 17.A O no hydrogen 2.910 N/A TRP 22.A N GLN 15.A O no hydrogen 2.505 N/A GLU 23.A N TYR 107.A OH no hydrogen 2.927 N/A VAL 24.A N TYR 13.A O no hydrogen 3.054 N/A GLU 26.A N THR 11.A O no hydrogen 2.895 N/A ARG 27.A NE ASP 47.A OD1 no hydrogen 2.917 N/A ARG 27.A NH2 ASP 47.A OD1 no hydrogen 3.384 N/A ARG 27.A NH2 ASP 47.A OD2 no hydrogen 2.886 N/A TYR 28.A N PRO 25.A O no hydrogen 3.091 N/A TYR 28.A OH ASP 92.A OD2 no hydrogen 2.715 N/A GLN 29.A N PHE 46.A O no hydrogen 3.053 N/A GLN 29.A NE2 GLU 26.A O no hydrogen 2.700 N/A SER 32.A N ALA 44.A O no hydrogen 2.887 N/A VAL 34.A N VAL 42.A O no hydrogen 2.998 N/A ALA 38.A N GLY 35.A O no hydrogen 2.767 N/A VAL 42.A N GLY 40.A O no hydrogen 3.090 N/A CYS 43.A N VAL 56.A O no hydrogen 2.916 N/A ALA 44.A N SER 32.A O no hydrogen 2.703 N/A ALA 45.A N VAL 54.A O no hydrogen 2.921 N/A PHE 46.A N GLN 29.A O no hydrogen 2.911 N/A ASP 47.A N LEU 52.A O no hydrogen 2.725 N/A THR 48.A N ARG 27.A O no hydrogen 2.930 N/A THR 48.A OG1 ARG 27.A O no hydrogen 2.794 N/A LYS 49.A N ASP 47.A OD1 no hydrogen 3.185 N/A THR 50.A OG1 ASP 47.A OD2 no hydrogen 2.417 N/A GLY 51.A N ASP 47.A O no hydrogen 2.646 N/A LEU 52.A N ASP 47.A O no hydrogen 3.211 N/A VAL 54.A N ALA 45.A O no hydrogen 2.773 N/A ALA 55.A N THR 110.A O no hydrogen 2.624 N/A VAL 56.A N CYS 43.A O no hydrogen 2.938 N/A LYS 57.A N LEU 108.A O no hydrogen 2.838 N/A LYS 58.A N SER 41.A O no hydrogen 2.871 N/A LYS 58.A NZ THR 20.A OG1 no hydrogen 3.220 N/A LYS 58.A NZ ILE 21.A O no hydrogen 2.676 N/A LYS 58.A NZ ASP 105.A OD1 no hydrogen 3.497 N/A LYS 58.A NZ TYR 107.A OH no hydrogen 3.439 N/A LEU 59.A N VAL 106.A O no hydrogen 2.955 N/A SER 65.A OG HIS 68.A ND1 no hydrogen 2.998 N/A HIS 68.A N SER 65.A OG no hydrogen 3.009 N/A ALA 69.A N SER 65.A O no hydrogen 2.816 N/A LYS 70.A N ILE 66.A O no hydrogen 3.109 N/A LYS 70.A NZ GLU 332.A O no hydrogen 2.816 N/A ARG 71.A N ILE 67.A O no hydrogen 3.112 N/A THR 72.A N HIS 68.A O no hydrogen 2.824 N/A THR 72.A OG1 PRO 62.A O no hydrogen 2.654 N/A THR 72.A OG1 HIS 68.A O no hydrogen 2.977 N/A TYR 73.A N ALA 69.A O no hydrogen 3.053 N/A ARG 74.A N LYS 70.A O no hydrogen 2.753 N/A ARG 74.A NE GLU 332.A OE2 no hydrogen 2.688 N/A ARG 74.A NH2 GLU 332.A OE1 no hydrogen 3.129 N/A GLU 75.A N ARG 71.A O no hydrogen 2.760 N/A LEU 76.A N THR 72.A O no hydrogen 3.066 N/A ARG 77.A N TYR 73.A O no hydrogen 2.986 N/A ARG 77.A NH1 TYR 73.A OH no hydrogen 2.926 N/A ARG 77.A NH2 ASP 328.A O no hydrogen 2.671 N/A LEU 78.A N ARG 74.A O no hydrogen 3.018 N/A LEU 79.A N GLU 75.A O no hydrogen 2.810 N/A LYS 80.A N LEU 76.A O no hydrogen 2.898 N/A LYS 80.A NZ GLU 348.A O no hydrogen 2.741 N/A LYS 80.A NZ GLU 348.A OE1 no hydrogen 2.856 N/A HIS 81.A N ARG 77.A O no hydrogen 3.204 N/A HIS 81.A N LEU 78.A O no hydrogen 3.031 N/A MET 82.A N LEU 78.A O no hydrogen 3.202 N/A LYS 83.A N TYR 144.A OH no hydrogen 2.836 N/A ASN 86.A N HIS 84.A ND1 no hydrogen 3.023 N/A ASN 86.A ND2 GLN 137.A OE1 no hydrogen 3.409 N/A ASN 86.A ND2 LEU 168.A O no hydrogen 2.930 N/A VAL 87.A N HIS 84.A O no hydrogen 3.178 N/A ILE 88.A N ILE 170.A O no hydrogen 2.821 N/A LEU 91.A N VAL 109.A O no hydrogen 2.727 N/A ASP 92.A N VAL 109.A O no hydrogen 3.430 N/A PHE 94.A N TYR 107.A O no hydrogen 2.969 N/A THR 95.A OG1 ASP 105.A O no hydrogen 3.086 N/A ALA 97.A N THR 95.A OG1 no hydrogen 3.162 N/A ARG 98.A N GLU 102.A OE2 no hydrogen 2.585 N/A SER 99.A OG GLU 101.A OE2 no hydrogen 3.547 N/A GLU 102.A N SER 99.A O no hydrogen 3.060 N/A GLU 102.A N SER 99.A OG no hydrogen 3.425 N/A PHE 103.A N LEU 100.A O no hydrogen 2.952 N/A ASN 104.A ND2 GLU 102.A O no hydrogen 3.696 N/A TYR 107.A N PHE 94.A O no hydrogen 2.867 N/A LEU 108.A N LYS 57.A O no hydrogen 2.796 N/A VAL 109.A N ASP 92.A O no hydrogen 2.738 N/A THR 110.A N ALA 55.A O no hydrogen 2.998 N/A THR 110.A OG1 GLY 89.A O no hydrogen 2.674 N/A LEU 112.A N ARG 53.A O no hydrogen 3.029 N/A ASP 116.A N ASN 119.A OD1 no hydrogen 3.262 N/A LEU 117.A N LEU 160.A O no hydrogen 2.765 N/A ASN 118.A ND2 ASP 116.A OD2 no hydrogen 3.525 N/A ASN 119.A N ASP 116.A OD1 no hydrogen 2.846 N/A ILE 120.A N ASP 116.A O no hydrogen 3.228 N/A VAL 121.A N LEU 117.A O no hydrogen 3.033 N/A LYS 122.A N ASN 118.A O no hydrogen 2.967 N/A CYS 123.A N ASN 119.A O no hydrogen 3.064 N/A CYS 123.A N ILE 120.A O no hydrogen 3.053 N/A CYS 123.A SG ASN 119.A O no hydrogen 3.408 N/A GLN 124.A N ILE 120.A O no hydrogen 3.277 N/A GLN 124.A NE2 ILE 120.A O no hydrogen 2.899 N/A THR 127.A N HIS 130.A ND1 no hydrogen 2.958 N/A THR 127.A OG1 HIS 130.A ND1 no hydrogen 3.303 N/A HIS 130.A N THR 127.A OG1 no hydrogen 3.014 N/A VAL 131.A N THR 127.A O no hydrogen 3.011 N/A GLN 132.A N ASP 128.A O no hydrogen 2.742 N/A PHE 133.A N ASP 129.A O no hydrogen 2.958 N/A LEU 134.A N HIS 130.A O no hydrogen 2.790 N/A ILE 135.A N VAL 131.A O no hydrogen 2.929 N/A TYR 136.A N GLN 132.A O no hydrogen 2.985 N/A TYR 136.A OH GLU 321.A OE2 no hydrogen 2.517 N/A GLN 137.A N PHE 133.A O no hydrogen 3.146 N/A GLN 137.A NE2 PHE 133.A O no hydrogen 3.189 N/A GLN 137.A NE2 CYS 166.A O no hydrogen 2.789 N/A ILE 138.A N LEU 134.A O no hydrogen 3.162 N/A LEU 139.A N ILE 135.A O no hydrogen 3.100 N/A ARG 140.A N TYR 136.A O no hydrogen 2.855 N/A ARG 140.A NE ASP 320.A O no hydrogen 2.845 N/A ARG 140.A NH1 ASN 86.A OD1 no hydrogen 2.942 N/A ARG 140.A NH2 ASP 320.A O no hydrogen 2.759 N/A ARG 140.A NH2 ASP 320.A OD1 no hydrogen 3.260 N/A GLY 141.A N GLN 137.A O no hydrogen 2.960 N/A LEU 142.A N ILE 138.A O no hydrogen 2.875 N/A LYS 143.A N LEU 139.A O no hydrogen 2.923 N/A LYS 143.A NZ GLU 321.A O no hydrogen 2.723 N/A TYR 144.A OH HIS 81.A O no hydrogen 3.297 N/A ILE 145.A N GLY 141.A O no hydrogen 2.966 N/A HIS 146.A N LEU 142.A O no hydrogen 2.777 N/A HIS 146.A NE2 ASP 209.A OD2 no hydrogen 2.821 N/A SER 147.A N LYS 143.A O no hydrogen 2.930 N/A SER 147.A N TYR 144.A O no hydrogen 3.028 N/A SER 147.A OG TYR 144.A O no hydrogen 2.599 N/A ALA 148.A N ILE 145.A O no hydrogen 3.223 N/A ASP 149.A N HIS 146.A O no hydrogen 2.928 N/A ILE 150.A N ILE 145.A O no hydrogen 3.182 N/A HIS 152.A N ASP 209.A OD2 no hydrogen 2.968 N/A HIS 152.A NE2 LEU 171.A O no hydrogen 2.696 N/A ARG 153.A N ASP 209.A OD1 no hydrogen 2.952 N/A ARG 153.A NE ILE 151.A O no hydrogen 3.125 N/A ARG 153.A NH2 ILE 151.A O no hydrogen 3.206 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.126 N/A ASN 159.A N LYS 156.A O no hydrogen 2.690 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.523 N/A LEU 160.A N PRO 157.A O no hydrogen 3.247 N/A ALA 161.A N LYS 169.A O no hydrogen 2.918 N/A VAL 162.A N ALA 115.A O no hydrogen 2.761 N/A ASN 163.A N GLU 167.A O no hydrogen 2.986 N/A ASN 163.A ND2 GLU 167.A OE1 no hydrogen 2.655 N/A ASP 165.A N ASN 163.A OD1 no hydrogen 2.645 N/A CYS 166.A N ASN 163.A O no hydrogen 2.893 N/A GLU 167.A N ASN 163.A OD1 no hydrogen 2.812 N/A LEU 168.A N GLN 137.A OE1 no hydrogen 2.834 N/A LYS 169.A N ALA 161.A O no hydrogen 2.940 N/A ILE 170.A N ASN 86.A O no hydrogen 2.853 N/A LEU 171.A N ASN 159.A O no hydrogen 3.023 N/A GLY 174.A N HIS 152.A O no hydrogen 3.036 N/A GLU 182.A N THR 179.A O no hydrogen 2.699 N/A GLU 182.A N THR 179.A OG1 no hydrogen 3.117 N/A THR 184.A N ASP 181.A O no hydrogen 3.158 N/A THR 184.A OG1 ASP 180.A O no hydrogen 2.769 N/A THR 184.A OG1 ASP 181.A O no hydrogen 3.203 N/A VAL 187.A N GLY 185.A O no hydrogen 2.990 N/A THR 189.A OG1 GLU 182.A O no hydrogen 2.468 N/A ARG 190.A N VAL 187.A O no hydrogen 3.172 N/A ARG 190.A NE GLN 235.A OE1 no hydrogen 2.936 N/A ARG 190.A NH1 MET 183.A O no hydrogen 2.709 N/A ARG 190.A NH1 GLY 185.A O no hydrogen 2.611 N/A ARG 190.A NH2 GLY 185.A O no hydrogen 2.740 N/A ARG 190.A NH2 GLN 235.A OE1 no hydrogen 3.226 N/A TRP 191.A NE1 GLY 229.A O no hydrogen 3.042 N/A TYR 192.A OH GLU 219.A OE1 no hydrogen 2.808 N/A TYR 192.A OH GLU 219.A OE2 no hydrogen 3.416 N/A ARG 193.A N ARG 190.A O no hydrogen 3.189 N/A ARG 193.A NH1 ARG 153.A O no hydrogen 3.480 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.825 N/A ILE 197.A N ALA 194.A O no hydrogen 3.179 N/A MET 198.A N ALA 194.A O no hydrogen 2.881 N/A LEU 199.A N PRO 195.A O no hydrogen 2.829 N/A TRP 201.A N GLU 196.A O no hydrogen 2.901 N/A THR 207.A OG1 SER 297.A O no hydrogen 3.434 N/A VAL 208.A N ASN 205.A O no hydrogen 3.442 N/A ASP 209.A N GLN 206.A O no hydrogen 3.053 N/A ILE 210.A N THR 207.A O no hydrogen 3.015 N/A TRP 211.A N THR 207.A O no hydrogen 3.221 N/A SER 212.A N VAL 208.A O no hydrogen 3.287 N/A SER 212.A OG TYR 192.A O no hydrogen 2.835 N/A SER 212.A OG VAL 208.A O no hydrogen 3.184 N/A VAL 213.A N ASP 209.A O no hydrogen 3.044 N/A GLY 214.A N ILE 210.A O no hydrogen 2.981 N/A CYS 215.A N TRP 211.A O no hydrogen 3.028 N/A CYS 215.A SG TRP 191.A O no hydrogen 3.895 N/A CYS 215.A SG TRP 211.A O no hydrogen 3.561 N/A ILE 216.A N SER 212.A O no hydrogen 3.008 N/A MET 217.A N VAL 213.A O no hydrogen 2.749 N/A ALA 218.A N GLY 214.A O no hydrogen 2.954 N/A GLU 219.A N CYS 215.A O no hydrogen 3.225 N/A LEU 220.A N ILE 216.A O no hydrogen 3.009 N/A LEU 220.A N MET 217.A O no hydrogen 2.920 N/A LEU 221.A N MET 217.A O no hydrogen 2.976 N/A THR 222.A N ALA 218.A O no hydrogen 2.874 N/A THR 222.A OG1 ALA 218.A O no hydrogen 3.121 N/A GLY 223.A N GLU 219.A O no hydrogen 2.654 N/A ARG 224.A N THR 222.A OG1 no hydrogen 3.021 N/A GLY 229.A N PHE 227.A O no hydrogen 2.749 N/A THR 230.A N ASP 234.A OD2 no hydrogen 2.781 N/A THR 230.A OG1 ASP 231.A OD2 no hydrogen 3.558 N/A THR 230.A OG1 ASP 234.A OD2 no hydrogen 2.915 N/A ASP 234.A N ASP 231.A OD1 no hydrogen 2.797 N/A GLN 235.A N ASP 231.A O no hydrogen 2.853 N/A GLN 235.A NE2 ARG 190.A O no hydrogen 2.874 N/A LEU 236.A N HIS 232.A O no hydrogen 2.944 N/A LYS 237.A N ILE 233.A O no hydrogen 3.025 N/A LEU 238.A N ASP 234.A O no hydrogen 3.060 N/A ILE 239.A N GLN 235.A O no hydrogen 3.054 N/A LEU 240.A N LEU 236.A O no hydrogen 2.888 N/A ARG 241.A N LYS 237.A O no hydrogen 3.007 N/A VAL 243.A N ILE 239.A O no hydrogen 2.938 N/A THR 245.A N MET 269.A O no hydrogen 2.858 N/A THR 245.A OG1 MET 269.A O no hydrogen 3.214 N/A LEU 251.A N GLY 247.A O no hydrogen 3.025 N/A LYS 252.A N ALA 248.A O no hydrogen 3.065 N/A LYS 253.A N LEU 250.A O no hydrogen 2.821 N/A LYS 253.A NZ ASP 296.A OD1 no hydrogen 3.044 N/A LYS 253.A NZ ASP 296.A OD2 no hydrogen 2.595 N/A LYS 253.A NZ ASP 298.A OD1 no hydrogen 2.878 N/A ILE 254.A N LEU 251.A O no hydrogen 3.085 N/A SER 255.A N TRP 201.A O no hydrogen 2.933 N/A ALA 259.A N SER 256.A OG no hydrogen 3.053 N/A ARG 260.A N SER 256.A O no hydrogen 3.043 N/A ARG 260.A NE ILE 254.A O no hydrogen 2.820 N/A ARG 260.A NH2 SER 255.A O no hydrogen 2.957 N/A ASN 261.A N GLU 257.A O no hydrogen 2.908 N/A ASN 261.A ND2 GLU 257.A OE1 no hydrogen 3.499 N/A TYR 262.A N SER 258.A O no hydrogen 2.784 N/A ILE 263.A N ALA 259.A O no hydrogen 2.796 N/A GLN 264.A N ARG 260.A O no hydrogen 3.038 N/A SER 265.A N TYR 262.A O no hydrogen 2.843 N/A SER 265.A OG TYR 262.A O no hydrogen 2.475 N/A LEU 266.A N ILE 263.A O no hydrogen 3.067 N/A MET 269.A N THR 245.A OG1 no hydrogen 2.777 N/A LYS 271.A NZ MET 272.A O no hydrogen 2.688 N/A LYS 271.A NZ GLU 290.A OE2 no hydrogen 2.906 N/A MET 272.A N LEU 242.A O no hydrogen 2.784 N/A ALA 275.A N ASN 273.A OD1 no hydrogen 2.823 N/A ASN 276.A N ASN 273.A O no hydrogen 2.923 N/A VAL 277.A N ASN 273.A O no hydrogen 3.071 N/A VAL 277.A N PHE 274.A O no hydrogen 3.080 N/A PHE 278.A N PHE 274.A O no hydrogen 2.714 N/A ALA 281.A N PHE 278.A O no hydrogen 3.207 N/A LEU 284.A N ASN 282.A OD1 no hydrogen 2.853 N/A VAL 286.A N ASN 282.A O no hydrogen 3.003 N/A ASP 287.A N PRO 283.A O no hydrogen 3.168 N/A LEU 288.A N LEU 284.A O no hydrogen 3.075 N/A LEU 289.A N ALA 285.A O no hydrogen 2.947 N/A GLU 290.A N VAL 286.A O no hydrogen 3.101 N/A LYS 291.A N ASP 287.A O no hydrogen 3.167 N/A LYS 291.A N LEU 288.A O no hydrogen 2.870 N/A LYS 291.A NZ ASP 287.A OD1 no hydrogen 3.205 N/A LYS 291.A NZ ASP 287.A OD2 no hydrogen 2.790 N/A MET 292.A N LEU 288.A O no hydrogen 3.000 N/A MET 292.A N LEU 289.A O no hydrogen 3.108 N/A LEU 293.A N LEU 289.A O no hydrogen 2.822 N/A ASP 298.A N ASP 296.A OD1 no hydrogen 3.118 N/A LYS 299.A N ASP 296.A O no hydrogen 2.853 N/A LYS 299.A NZ GLU 249.A OE1 no hydrogen 3.390 N/A ARG 300.A N SER 297.A O no hydrogen 3.259 N/A ARG 300.A NE VAL 294.A O no hydrogen 2.707 N/A ARG 300.A NH1 GLU 196.A OE2 no hydrogen 2.870 N/A ARG 300.A NH1 THR 207.A O no hydrogen 3.224 N/A ARG 300.A NH2 GLU 196.A OE1 no hydrogen 2.846 N/A ARG 300.A NH2 GLU 196.A OE2 no hydrogen 3.437 N/A ARG 300.A NH2 VAL 294.A O no hydrogen 3.494 N/A ARG 300.A NH2 LEU 295.A O no hydrogen 3.081 N/A ILE 301.A N LYS 291.A O no hydrogen 3.096 N/A GLN 305.A N THR 302.A OG1 no hydrogen 3.009 N/A ALA 306.A N THR 302.A O no hydrogen 2.745 N/A LEU 307.A N ALA 303.A O no hydrogen 3.006 N/A ALA 308.A N GLN 305.A O no hydrogen 3.185 N/A HIS 309.A N ALA 306.A O no hydrogen 2.834 N/A HIS 309.A NE2 ASP 287.A OD2 no hydrogen 2.712 N/A TYR 311.A N HIS 309.A ND1 no hydrogen 2.960 N/A TYR 311.A OH ASP 128.A OD1 no hydrogen 3.086 N/A PHE 312.A N HIS 309.A O no hydrogen 2.786 N/A ALA 313.A N ALA 310.A O no hydrogen 3.096 N/A TYR 315.A N PHE 312.A O no hydrogen 2.823 N/A TYR 315.A OH ASP 129.A OD1 no hydrogen 2.441 N/A HIS 316.A N PHE 312.A O no hydrogen 2.728 N/A HIS 316.A ND1 GLU 321.A OE2 no hydrogen 2.971 N/A ASP 317.A N GLU 321.A OE2 no hydrogen 3.066 N/A ASP 319.A N ASP 317.A OD1 no hydrogen 3.215 N/A ASP 320.A N ASP 317.A O no hydrogen 2.693 N/A ALA 324.A N SER 147.A OG no hydrogen 2.655 N/A GLN 329.A NE2 ASP 149.A O no hydrogen 3.043 N/A GLN 329.A NE2 TYR 327.A O no hydrogen 3.380 N/A SER 330.A N ASP 328.A OD1 no hydrogen 2.791 N/A SER 330.A OG ASP 328.A OD1 no hydrogen 2.756 N/A GLU 332.A N GLN 329.A O no hydrogen 2.826 N/A SER 333.A N SER 330.A O no hydrogen 3.120 N/A SER 333.A OG SER 330.A O no hydrogen 3.075 N/A ARG 334.A N PHE 331.A O no hydrogen 2.822 N/A LEU 337.A N GLU 340.A OE1 no hydrogen 2.789 N/A GLU 340.A N LEU 337.A O no hydrogen 3.022 N/A TRP 341.A N LEU 337.A O no hydrogen 3.019 N/A LYS 342.A N ILE 338.A O no hydrogen 2.829 N/A LYS 342.A NZ PHE 103.A O no hydrogen 2.791 N/A SER 343.A N ASP 339.A O no hydrogen 2.941 N/A LEU 344.A N GLU 340.A O no hydrogen 3.099 N/A THR 345.A N TRP 341.A O no hydrogen 3.054 N/A THR 345.A OG1 TRP 341.A O no hydrogen 2.786 N/A TYR 346.A N LYS 342.A O no hydrogen 2.909 N/A ASP 347.A N SER 343.A O no hydrogen 2.971 N/A GLU 348.A N LEU 344.A O no hydrogen 3.168 N/A VAL 349.A N THR 345.A O no hydrogen 2.907 N/A ILE 350.A N TYR 346.A O no hydrogen 3.063 N/A SER 351.A N ASP 347.A O no hydrogen 3.210 N/A SER 351.A OG ASP 347.A O no hydrogen 2.954 N/A SER 351.A OG GLU 348.A O no hydrogen 3.355 N/A PHE 352.A N VAL 349.A O no hydrogen 3.335 N/A