Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3que_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 PRO 88.A O no hydrogen 3.074 N/A ARG 1.A NH2 PRO 88.A O no hydrogen 3.268 N/A TYR 5.A N VAL 16.A O no hydrogen 2.883 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.715 N/A ARG 6.A NH2 GLU 15.A OE2 no hydrogen 3.155 N/A GLN 7.A N TRP 14.A O no hydrogen 3.129 N/A LEU 9.A N THR 12.A O no hydrogen 2.743 N/A THR 12.A N ASN 10.A O no hydrogen 2.567 N/A THR 12.A OG1 LEU 9.A O no hydrogen 3.414 N/A THR 12.A OG1 ASN 10.A O no hydrogen 3.493 N/A TRP 14.A N GLN 7.A O no hydrogen 2.815 N/A GLU 15.A N TYR 99.A OH no hydrogen 3.005 N/A VAL 16.A N TYR 5.A O no hydrogen 3.119 N/A GLU 18.A N THR 3.A O no hydrogen 3.088 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.865 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 3.275 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.658 N/A TYR 20.A N PRO 17.A O no hydrogen 3.010 N/A TYR 20.A OH ASP 84.A OD1 no hydrogen 2.511 N/A GLN 21.A N PHE 38.A O no hydrogen 2.738 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.675 N/A SER 24.A N ALA 36.A O no hydrogen 2.825 N/A VAL 26.A N VAL 34.A O no hydrogen 2.776 N/A GLY 27.A N VAL 34.A O no hydrogen 3.202 N/A SER 28.A N ARG 169.A O no hydrogen 2.957 N/A GLY 29.A N GLY 32.A O no hydrogen 2.976 N/A SER 33.A N LYS 50.A O no hydrogen 3.153 N/A VAL 34.A N GLY 27.A O no hydrogen 2.817 N/A CYS 35.A N VAL 48.A O no hydrogen 2.938 N/A ALA 36.A N SER 24.A O no hydrogen 2.751 N/A ALA 37.A N VAL 46.A O no hydrogen 2.824 N/A PHE 38.A N GLN 21.A O no hydrogen 2.706 N/A ASP 39.A N LEU 44.A O no hydrogen 3.042 N/A THR 40.A N ARG 19.A O no hydrogen 2.768 N/A THR 40.A OG1 ARG 19.A O no hydrogen 2.890 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 3.048 N/A THR 42.A OG1 ASP 39.A OD2 no hydrogen 3.035 N/A GLY 43.A N ASP 39.A O no hydrogen 2.695 N/A LEU 44.A N THR 42.A OG1 no hydrogen 3.181 N/A VAL 46.A N ALA 37.A O no hydrogen 2.902 N/A ALA 47.A N THR 102.A O no hydrogen 2.580 N/A VAL 48.A N CYS 35.A O no hydrogen 2.829 N/A LYS 49.A N LEU 100.A O no hydrogen 2.754 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 2.657 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 3.458 N/A LYS 50.A N SER 33.A O no hydrogen 2.876 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.346 N/A LEU 51.A N VAL 98.A O no hydrogen 2.973 N/A SER 52.A N TYR 31.A O no hydrogen 2.841 N/A SER 52.A OG ALA 30.A O no hydrogen 3.558 N/A ARG 53.A NH1 GLN 56.A OE1 no hydrogen 3.234 N/A HIS 60.A N SER 57.A OG no hydrogen 3.328 N/A HIS 60.A ND1 ARG 53.A O no hydrogen 2.809 N/A ALA 61.A N SER 57.A O no hydrogen 2.805 N/A LYS 62.A N ILE 58.A O no hydrogen 3.040 N/A LYS 62.A NZ GLU 318.A O no hydrogen 2.572 N/A LYS 62.A NZ ARG 320.A O no hydrogen 3.557 N/A ARG 63.A N ILE 59.A O no hydrogen 2.948 N/A THR 64.A N HIS 60.A O no hydrogen 2.806 N/A THR 64.A OG1 PRO 54.A O no hydrogen 2.957 N/A THR 64.A OG1 HIS 60.A O no hydrogen 3.228 N/A TYR 65.A N ALA 61.A O no hydrogen 3.221 N/A ARG 66.A N LYS 62.A O no hydrogen 2.998 N/A ARG 66.A NE GLU 318.A OE2 no hydrogen 2.830 N/A ARG 66.A NH2 GLU 318.A OE2 no hydrogen 2.554 N/A GLU 67.A N ARG 63.A O no hydrogen 2.796 N/A LEU 68.A N THR 64.A O no hydrogen 2.962 N/A ARG 69.A N TYR 65.A O no hydrogen 2.717 N/A ARG 69.A NH1 ASP 314.A O no hydrogen 2.501 N/A LEU 70.A N ARG 66.A O no hydrogen 2.859 N/A LEU 70.A N GLU 67.A O no hydrogen 3.172 N/A LEU 71.A N GLU 67.A O no hydrogen 2.889 N/A LYS 72.A N LEU 68.A O no hydrogen 3.236 N/A LYS 72.A NZ GLU 334.A O no hydrogen 3.044 N/A LYS 72.A NZ GLU 334.A OE1 no hydrogen 2.480 N/A LYS 72.A NZ SER 337.A OG no hydrogen 3.234 N/A HIS 73.A N LEU 70.A O no hydrogen 3.083 N/A HIS 73.A NE2 ASP 311.A O no hydrogen 2.998 N/A LYS 75.A N TYR 136.A OH no hydrogen 2.889 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.913 N/A ASN 78.A ND2 GLN 129.A OE1 no hydrogen 3.324 N/A ASN 78.A ND2 LEU 160.A O no hydrogen 3.093 N/A VAL 79.A N HIS 76.A O no hydrogen 3.106 N/A ILE 80.A N ILE 162.A O no hydrogen 3.110 N/A LEU 83.A N VAL 101.A O no hydrogen 2.914 N/A PHE 86.A N TYR 99.A O no hydrogen 3.117 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.738 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.331 N/A GLU 94.A N SER 91.A O no hydrogen 3.297 N/A PHE 95.A N LEU 92.A O no hydrogen 3.132 N/A ASN 96.A ND2 ASN 96.A O no hydrogen 3.203 N/A TYR 99.A N PHE 86.A O no hydrogen 3.020 N/A LEU 100.A N LYS 49.A O no hydrogen 2.962 N/A VAL 101.A N ASP 84.A O no hydrogen 2.864 N/A THR 102.A N ALA 47.A O no hydrogen 2.887 N/A THR 102.A OG1 GLY 81.A O no hydrogen 2.480 N/A LEU 104.A N ARG 45.A O no hydrogen 2.684 N/A LEU 109.A N LEU 152.A O no hydrogen 2.905 N/A ASN 111.A N ASP 108.A O no hydrogen 2.599 N/A ASN 111.A N ASP 108.A OD2 no hydrogen 2.976 N/A ILE 112.A N LEU 109.A O no hydrogen 3.407 N/A GLN 116.A NE2 LYS 117.A O no hydrogen 2.680 N/A VAL 123.A N THR 119.A O no hydrogen 3.243 N/A GLN 124.A N ASP 120.A O no hydrogen 3.072 N/A GLN 124.A NE2 GLN 300.A OE1 no hydrogen 3.275 N/A PHE 125.A N ASP 121.A O no hydrogen 3.271 N/A LEU 126.A N HIS 122.A O no hydrogen 2.733 N/A ILE 127.A N VAL 123.A O no hydrogen 2.766 N/A TYR 128.A N GLN 124.A O no hydrogen 2.942 N/A TYR 128.A OH GLU 307.A OE1 no hydrogen 2.730 N/A GLN 129.A N PHE 125.A O no hydrogen 2.894 N/A GLN 129.A NE2 CYS 158.A O no hydrogen 2.589 N/A ILE 130.A N LEU 126.A O no hydrogen 2.984 N/A LEU 131.A N ILE 127.A O no hydrogen 2.912 N/A ARG 132.A N TYR 128.A O no hydrogen 2.791 N/A ARG 132.A NE ASP 306.A O no hydrogen 3.129 N/A ARG 132.A NH1 ASN 78.A OD1 no hydrogen 2.693 N/A ARG 132.A NH2 GLU 77.A OE2 no hydrogen 3.454 N/A ARG 132.A NH2 ASP 306.A O no hydrogen 3.353 N/A ARG 132.A NH2 ASP 306.A OD2 no hydrogen 3.569 N/A GLY 133.A N GLN 129.A O no hydrogen 3.078 N/A LEU 134.A N ILE 130.A O no hydrogen 2.815 N/A LYS 135.A N LEU 131.A O no hydrogen 2.673 N/A LYS 135.A NZ GLU 307.A O no hydrogen 2.544 N/A TYR 136.A N ARG 132.A O no hydrogen 3.366 N/A TYR 136.A OH HIS 73.A O no hydrogen 3.402 N/A ILE 137.A N GLY 133.A O no hydrogen 2.766 N/A HIS 138.A N LEU 134.A O no hydrogen 2.990 N/A HIS 138.A NE2 ASP 195.A OD1 no hydrogen 2.588 N/A SER 139.A N LYS 135.A O no hydrogen 2.995 N/A SER 139.A N TYR 136.A O no hydrogen 3.118 N/A SER 139.A OG TYR 136.A O no hydrogen 2.677 N/A ALA 140.A N ILE 137.A O no hydrogen 3.163 N/A ASP 141.A N HIS 138.A O no hydrogen 2.783 N/A ILE 142.A N ILE 137.A O no hydrogen 3.323 N/A HIS 144.A N ASP 195.A OD1 no hydrogen 2.976 N/A HIS 144.A NE2 LEU 163.A O no hydrogen 2.912 N/A ARG 145.A N ASP 195.A OD2 no hydrogen 2.901 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.146 N/A LYS 148.A NZ THR 175.A OG1 no hydrogen 3.281 N/A ASN 151.A N LYS 148.A O no hydrogen 2.729 N/A ASN 151.A ND2 ASP 164.A O no hydrogen 3.260 N/A LEU 152.A N PRO 149.A O no hydrogen 2.968 N/A ALA 153.A N LYS 161.A O no hydrogen 2.775 N/A VAL 154.A N ALA 107.A O no hydrogen 2.899 N/A ASN 155.A N GLU 159.A O no hydrogen 2.958 N/A ASN 155.A ND2 GLU 159.A OE2 no hydrogen 3.383 N/A GLU 159.A N ASN 155.A OD1 no hydrogen 3.144 N/A LEU 160.A N GLN 129.A OE1 no hydrogen 3.176 N/A LYS 161.A N ALA 153.A O no hydrogen 2.690 N/A ILE 162.A N ASN 78.A O no hydrogen 2.886 N/A LEU 163.A N ASN 151.A O no hydrogen 2.818 N/A ARG 169.A N SER 28.A O no hydrogen 2.863 N/A ARG 169.A NE SER 28.A OG no hydrogen 3.428 N/A THR 171.A N VAL 26.A O no hydrogen 2.948 N/A THR 175.A OG1 ASP 146.A OD1 no hydrogen 2.963 N/A ARG 176.A NE GLY 215.A O no hydrogen 2.789 N/A TRP 177.A NE1 GLY 215.A O no hydrogen 2.916 N/A TYR 178.A N THR 175.A O no hydrogen 2.973 N/A TYR 178.A OH GLU 205.A OE1 no hydrogen 2.716 N/A TYR 178.A OH GLU 205.A OE2 no hydrogen 3.406 N/A ARG 179.A N ARG 176.A O no hydrogen 3.195 N/A GLU 182.A N GLU 182.A OE2 no hydrogen 2.912 N/A ILE 183.A N ALA 180.A O no hydrogen 3.068 N/A MET 184.A N PRO 181.A O no hydrogen 2.773 N/A LEU 185.A N PRO 181.A O no hydrogen 3.261 N/A TRP 187.A N GLU 182.A O no hydrogen 3.224 N/A ASN 191.A ND2 SER 283.A OG no hydrogen 3.048 N/A THR 193.A N ASN 191.A OD1 no hydrogen 3.169 N/A THR 193.A OG1 ASN 191.A OD1 no hydrogen 2.757 N/A THR 193.A OG1 SER 283.A O no hydrogen 3.463 N/A VAL 194.A N ASN 191.A O no hydrogen 3.212 N/A ASP 195.A N GLN 192.A O no hydrogen 2.801 N/A TRP 197.A N THR 193.A O no hydrogen 3.173 N/A SER 198.A OG TYR 178.A O no hydrogen 2.852 N/A SER 198.A OG VAL 194.A O no hydrogen 3.426 N/A VAL 199.A N ASP 195.A O no hydrogen 2.987 N/A GLY 200.A N ILE 196.A O no hydrogen 2.867 N/A CYS 201.A N TRP 197.A O no hydrogen 3.020 N/A CYS 201.A N SER 198.A O no hydrogen 2.787 N/A CYS 201.A SG TRP 177.A O no hydrogen 3.806 N/A CYS 201.A SG TRP 197.A O no hydrogen 3.384 N/A ILE 202.A N SER 198.A O no hydrogen 2.885 N/A MET 203.A N VAL 199.A O no hydrogen 2.805 N/A ALA 204.A N GLY 200.A O no hydrogen 3.035 N/A GLU 205.A N CYS 201.A O no hydrogen 3.085 N/A LEU 206.A N ILE 202.A O no hydrogen 2.997 N/A LEU 206.A N MET 203.A O no hydrogen 2.834 N/A LEU 207.A N MET 203.A O no hydrogen 3.087 N/A THR 208.A N ALA 204.A O no hydrogen 2.979 N/A THR 208.A OG1 ALA 204.A O no hydrogen 2.959 N/A THR 208.A OG1 ARG 210.A O no hydrogen 2.976 N/A GLY 209.A N GLU 205.A O no hydrogen 2.749 N/A ARG 210.A N THR 208.A OG1 no hydrogen 3.249 N/A THR 211.A OG1 GLU 205.A OE1 no hydrogen 3.349 N/A GLY 215.A N PHE 213.A O no hydrogen 2.853 N/A THR 216.A N ASP 220.A OD1 no hydrogen 2.636 N/A THR 216.A OG1 ASP 220.A OD1 no hydrogen 2.880 N/A ILE 219.A N ASP 217.A OD1 no hydrogen 2.987 N/A ASP 220.A N ASP 217.A OD1 no hydrogen 2.901 N/A GLN 221.A N ASP 217.A O no hydrogen 2.959 N/A GLN 221.A NE2 TRP 177.A O no hydrogen 3.452 N/A GLN 221.A NE2 PHE 213.A O no hydrogen 3.134 N/A LEU 222.A N HIS 218.A O no hydrogen 3.511 N/A LYS 223.A N ILE 219.A O no hydrogen 3.095 N/A LEU 224.A N ASP 220.A O no hydrogen 2.948 N/A ILE 225.A N GLN 221.A O no hydrogen 2.946 N/A LEU 226.A N LEU 222.A O no hydrogen 2.840 N/A ARG 227.A N LYS 223.A O no hydrogen 3.029 N/A LEU 228.A N ILE 225.A O no hydrogen 2.965 N/A VAL 229.A N ILE 225.A O no hydrogen 3.049 N/A GLY 230.A N LEU 226.A O no hydrogen 2.678 N/A THR 231.A N MET 255.A O no hydrogen 2.764 N/A THR 231.A OG1 MET 255.A O no hydrogen 3.259 N/A LEU 236.A N GLY 233.A O no hydrogen 3.120 N/A LEU 237.A N GLY 233.A O no hydrogen 2.991 N/A LYS 238.A N ALA 234.A O no hydrogen 2.916 N/A LYS 239.A N LEU 236.A O no hydrogen 3.091 N/A LYS 239.A NZ ASP 284.A OD1 no hydrogen 3.040 N/A ILE 240.A N LEU 237.A O no hydrogen 3.481 N/A ALA 245.A N SER 242.A OG no hydrogen 3.173 N/A ARG 246.A N SER 242.A O no hydrogen 3.049 N/A ARG 246.A NE ILE 240.A O no hydrogen 3.136 N/A ARG 246.A NH2 ILE 240.A O no hydrogen 3.064 N/A ASN 247.A N GLU 243.A O no hydrogen 2.694 N/A ASN 247.A ND2 GLU 243.A O no hydrogen 2.812 N/A TYR 248.A N SER 244.A O no hydrogen 2.827 N/A ILE 249.A N ALA 245.A O no hydrogen 2.782 N/A GLN 250.A N ARG 246.A O no hydrogen 2.731 N/A SER 251.A N ASN 247.A O no hydrogen 2.897 N/A SER 251.A OG ASN 247.A O no hydrogen 2.879 N/A LEU 252.A N ILE 249.A O no hydrogen 3.152 N/A GLN 254.A NE2 ILE 249.A O no hydrogen 3.462 N/A GLN 254.A NE2 LEU 252.A O no hydrogen 3.218 N/A MET 255.A N THR 231.A OG1 no hydrogen 2.945 N/A LYS 257.A NZ GLU 276.A OE2 no hydrogen 2.488 N/A MET 258.A N LEU 228.A O no hydrogen 3.045 N/A ASN 262.A N ASN 259.A O no hydrogen 2.655 N/A VAL 263.A N ASN 259.A O no hydrogen 3.183 N/A VAL 263.A N PHE 260.A O no hydrogen 2.869 N/A PHE 264.A N PHE 260.A O no hydrogen 2.716 N/A ALA 267.A N PHE 264.A O no hydrogen 3.061 N/A ASN 268.A ND2 ASP 120.A OD2 no hydrogen 3.340 N/A LEU 270.A N ASN 268.A OD1 no hydrogen 2.946 N/A VAL 272.A N ASN 268.A O no hydrogen 2.989 N/A ASP 273.A N PRO 269.A O no hydrogen 3.045 N/A LEU 274.A N LEU 270.A O no hydrogen 3.037 N/A LEU 275.A N ALA 271.A O no hydrogen 3.134 N/A GLU 276.A N VAL 272.A O no hydrogen 3.178 N/A LYS 277.A N ASP 273.A O no hydrogen 3.364 N/A LYS 277.A N LEU 274.A O no hydrogen 2.947 N/A LYS 277.A NZ ASP 273.A OD2 no hydrogen 2.940 N/A MET 278.A N LEU 275.A O no hydrogen 2.896 N/A LEU 279.A N LEU 275.A O no hydrogen 2.791 N/A ASP 284.A N ASP 282.A OD1 no hydrogen 3.144 N/A LYS 285.A N ASP 282.A O no hydrogen 2.766 N/A ARG 286.A NE VAL 280.A O no hydrogen 2.572 N/A ARG 286.A NH1 GLU 182.A OE1 no hydrogen 2.552 N/A ARG 286.A NH1 GLU 182.A OE2 no hydrogen 2.820 N/A ARG 286.A NH2 GLU 182.A OE2 no hydrogen 2.604 N/A ARG 286.A NH2 VAL 280.A O no hydrogen 3.287 N/A ILE 287.A N LYS 277.A O no hydrogen 3.021 N/A THR 288.A N GLN 291.A OE1 no hydrogen 3.306 N/A GLN 291.A N THR 288.A OG1 no hydrogen 2.936 N/A ALA 292.A N THR 288.A O no hydrogen 2.959 N/A LEU 293.A N ALA 289.A O no hydrogen 3.227 N/A ALA 294.A N GLN 291.A O no hydrogen 2.881 N/A HIS 295.A N ALA 292.A O no hydrogen 3.033 N/A HIS 295.A NE2 ASP 273.A OD2 no hydrogen 3.199 N/A TYR 297.A N HIS 295.A ND1 no hydrogen 3.177 N/A TYR 297.A OH ASP 120.A OD1 no hydrogen 3.212 N/A PHE 298.A N HIS 295.A O no hydrogen 2.848 N/A ALA 299.A N ALA 296.A O no hydrogen 2.751 N/A TYR 301.A N PHE 298.A O no hydrogen 2.690 N/A HIS 302.A N PHE 298.A O no hydrogen 2.608 N/A HIS 302.A ND1 GLU 307.A OE1 no hydrogen 3.211 N/A ASP 303.A N GLU 307.A OE1 no hydrogen 3.243 N/A ASP 305.A N ASP 303.A OD1 no hydrogen 3.176 N/A ASP 306.A N ASP 303.A O no hydrogen 2.806 N/A ALA 310.A N SER 139.A OG no hydrogen 2.685 N/A SER 316.A N ASP 314.A OD1 no hydrogen 2.697 N/A SER 316.A OG ASP 314.A OD1 no hydrogen 2.603 N/A SER 316.A OG ASP 314.A OD2 no hydrogen 3.059 N/A GLU 318.A N GLN 315.A O no hydrogen 3.281 N/A SER 319.A N SER 316.A O no hydrogen 3.183 N/A SER 319.A OG SER 316.A O no hydrogen 3.099 N/A ARG 320.A N PHE 317.A O no hydrogen 3.220 N/A LEU 323.A N GLU 326.A OE1 no hydrogen 3.190 N/A GLU 326.A N LEU 323.A O no hydrogen 2.987 N/A TRP 327.A N LEU 323.A O no hydrogen 2.993 N/A LYS 328.A N ILE 324.A O no hydrogen 2.863 N/A LYS 328.A NZ PHE 95.A O no hydrogen 2.913 N/A SER 329.A N ASP 325.A O no hydrogen 3.062 N/A LEU 330.A N GLU 326.A O no hydrogen 2.943 N/A THR 331.A N TRP 327.A O no hydrogen 3.224 N/A THR 331.A OG1 TRP 327.A O no hydrogen 2.765 N/A TYR 332.A N LYS 328.A O no hydrogen 3.031 N/A ASP 333.A N SER 329.A O no hydrogen 3.053 N/A GLU 334.A N LEU 330.A O no hydrogen 3.108 N/A GLU 334.A N THR 331.A O no hydrogen 2.950 N/A VAL 335.A N THR 331.A O no hydrogen 2.977 N/A ILE 336.A N TYR 332.A O no hydrogen 2.991 N/A SER 337.A N ASP 333.A O no hydrogen 2.934 N/A SER 337.A OG ASP 333.A O no hydrogen 3.083 N/A PHE 338.A N VAL 335.A O no hydrogen 3.284 N/A