Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6whh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N LYS 331.A O no hydrogen 3.225 N/A GLU 5.A N LYS 331.A O no hydrogen 3.238 N/A LEU 7.A N LEU 329.A O no hydrogen 3.165 N/A LEU 9.A N ILE 327.A O no hydrogen 2.752 N/A HIS 12.A ND1 ASP 33.A OD1 no hydrogen 3.038 N/A HIS 12.A ND1 ASP 33.A OD2 no hydrogen 2.888 N/A ILE 15.A N ASP 14.A OD1 no hydrogen 2.839 N/A VAL 16.A N SER 322.A O no hydrogen 2.998 N/A ARG 17.A N ALA 30.A O no hydrogen 2.868 N/A PHE 18.A N ALA 30.A O no hydrogen 3.116 N/A VAL 20.A N ALA 28.A O no hydrogen 3.005 N/A LEU 22.A N ARG 26.A O no hydrogen 2.803 N/A ASP 23.A N ARG 26.A O no hydrogen 3.315 N/A TYR 25.A N ASP 23.A OD2 no hydrogen 3.443 N/A PHE 27.A N TRP 39.A O no hydrogen 3.210 N/A ALA 28.A N VAL 20.A O no hydrogen 2.932 N/A SER 29.A N VAL 37.A O no hydrogen 2.758 N/A ALA 30.A N PHE 18.A O no hydrogen 3.238 N/A ASP 32.A N ILE 15.A O no hydrogen 2.955 N/A GLY 34.A N GLY 31.A O no hydrogen 3.223 N/A VAL 36.A N LEU 50.A O no hydrogen 2.930 N/A VAL 37.A N SER 29.A O no hydrogen 2.839 N/A VAL 38.A N LEU 48.A O no hydrogen 2.852 N/A TRP 39.A N PHE 27.A O no hydrogen 2.810 N/A GLY 44.A N ASN 40.A O no hydrogen 2.807 N/A LEU 48.A N VAL 38.A O no hydrogen 3.472 N/A LEU 50.A N VAL 36.A O no hydrogen 2.738 N/A HIS 53.A ND1 ASP 73.A OD1 no hydrogen 3.022 N/A ILE 57.A N GLY 31.A O no hydrogen 3.431 N/A THR 58.A N ALA 70.A O no hydrogen 2.753 N/A THR 58.A OG1 VAL 94.A O no hydrogen 2.696 N/A ALA 59.A N ALA 70.A O no hydrogen 3.115 N/A ILE 61.A N LEU 68.A O no hydrogen 2.904 N/A PHE 63.A N LEU 66.A O no hydrogen 3.202 N/A ILE 67.A N TRP 79.A O no hydrogen 3.077 N/A LEU 68.A N ILE 61.A O no hydrogen 2.757 N/A THR 69.A N ILE 77.A O no hydrogen 2.921 N/A THR 69.A OG1 HIS 53.A NE2 no hydrogen 3.253 N/A ALA 70.A N ALA 59.A O no hydrogen 2.808 N/A SER 71.A N THR 75.A O no hydrogen 3.399 N/A SER 71.A OG GLN 55.A O no hydrogen 2.733 N/A SER 71.A OG LYS 56.A O no hydrogen 3.036 N/A SER 71.A OG ASP 73.A OD1 no hydrogen 2.711 N/A ALA 72.A N LYS 56.A O no hydrogen 2.790 N/A ASP 73.A N SER 71.A OG no hydrogen 3.275 N/A ARG 74.A N SER 71.A O no hydrogen 3.388 N/A THR 75.A OG1 ASP 73.A OD1 no hydrogen 2.788 N/A THR 75.A OG1 ASP 73.A OD2 no hydrogen 2.879 N/A VAL 76.A N SER 88.A O no hydrogen 3.235 N/A ILE 77.A N THR 69.A O no hydrogen 3.010 N/A ASP 80.A N GLN 83.A O no hydrogen 3.333 N/A GLN 85.A N VAL 78.A O no hydrogen 3.356 N/A SER 88.A N VAL 76.A O no hydrogen 2.928 N/A LYS 95.A N GLY 109.A O no hydrogen 2.965 N/A CYS 96.A N GLY 109.A O no hydrogen 3.136 N/A CYS 96.A SG ILE 134.A O no hydrogen 3.218 N/A THR 98.A N LEU 107.A O no hydrogen 2.991 N/A THR 98.A OG1 LEU 137.A O no hydrogen 2.688 N/A LEU 100.A N VAL 105.A O no hydrogen 2.785 N/A GLN 101.A N GLU 139.A OE2 no hydrogen 3.464 N/A VAL 105.A N LEU 100.A O no hydrogen 3.360 N/A TRP 106.A N TRP 116.A O no hydrogen 3.109 N/A LEU 107.A N THR 98.A O no hydrogen 2.723 N/A SER 108.A N CYS 114.A O no hydrogen 2.921 N/A GLY 109.A N CYS 96.A O no hydrogen 2.753 N/A GLY 110.A N ASP 112.A O no hydrogen 3.384 N/A LEU 113.A N THR 126.A OG1 no hydrogen 3.249 N/A CYS 114.A N SER 108.A O no hydrogen 3.007 N/A CYS 114.A SG ASP 112.A OD2 no hydrogen 3.426 N/A VAL 115.A N CYS 124.A O no hydrogen 2.948 N/A TRP 116.A N TRP 106.A O no hydrogen 2.804 N/A TRP 116.A NE1 SER 108.A OG no hydrogen 3.329 N/A ASN 117.A N ASP 121.A O no hydrogen 3.128 N/A LEU 120.A N ASN 117.A O no hydrogen 3.002 N/A LEU 123.A N VAL 115.A O no hydrogen 2.881 N/A THR 126.A N LEU 113.A O no hydrogen 2.987 N/A THR 126.A OG1 SER 127.A O no hydrogen 2.940 N/A LEU 129.A N ASN 111.A O no hydrogen 3.259 N/A SER 130.A N ASN 111.A O no hydrogen 3.447 N/A ILE 134.A N GLY 110.A O no hydrogen 2.807 N/A SER 135.A N ALA 148.A O no hydrogen 2.828 N/A VAL 138.A N VAL 146.A O no hydrogen 2.825 N/A ILE 140.A N CYS 144.A O no hydrogen 2.808 N/A CYS 144.A SG LYS 142.A O no hydrogen 3.667 N/A VAL 145.A N PHE 156.A O no hydrogen 3.052 N/A VAL 146.A N VAL 138.A O no hydrogen 2.782 N/A ALA 147.A N ILE 154.A O no hydrogen 2.882 N/A ALA 148.A N ALA 136.A O no hydrogen 2.938 N/A VAL 149.A N GLU 152.A O no hydrogen 2.918 N/A LYS 151.A NZ ASN 182.A OD1 no hydrogen 3.155 N/A GLU 152.A N VAL 149.A O no hydrogen 3.024 N/A LEU 153.A N LEU 176.A O no hydrogen 3.299 N/A ILE 154.A N ALA 147.A O no hydrogen 2.799 N/A ILE 155.A N LYS 174.A O no hydrogen 2.780 N/A PHE 156.A N VAL 145.A O no hydrogen 3.036 N/A ARG 157.A N LEU 171.A O no hydrogen 2.816 N/A ARG 157.A NH2 LEU 158.A O no hydrogen 2.779 N/A LEU 158.A N ASN 143.A O no hydrogen 2.928 N/A VAL 159.A N ASP 169.A O no hydrogen 2.790 N/A THR 162.A N SER 165.A O no hydrogen 2.947 N/A SER 165.A N THR 162.A O no hydrogen 2.895 N/A ASP 169.A N VAL 159.A O no hydrogen 3.104 N/A LEU 171.A N ARG 157.A O no hydrogen 2.789 N/A VAL 173.A N ILE 155.A O no hydrogen 2.953 N/A LYS 174.A N ILE 155.A O no hydrogen 3.333 N/A LEU 176.A N LEU 153.A O no hydrogen 2.839 N/A HIS 179.A ND1 GLU 202.A OE2 no hydrogen 3.020 N/A HIS 179.A NE2 THR 196.A OG1 no hydrogen 2.758 N/A GLN 180.A N GLU 202.A OE1 no hydrogen 2.988 N/A GLN 180.A N GLU 202.A OE2 no hydrogen 3.027 N/A GLN 180.A NE2 ASP 178.A O no hydrogen 3.031 N/A ASN 182.A N ASP 181.A OD2 no hydrogen 2.895 N/A ILE 183.A N GLY 150.A O no hydrogen 2.806 N/A LEU 184.A N GLY 197.A O no hydrogen 2.792 N/A SER 185.A N GLY 197.A O no hydrogen 3.375 N/A SER 185.A OG ILE 223.A O no hydrogen 2.693 N/A ILE 187.A N VAL 195.A O no hydrogen 2.970 N/A ASN 188.A ND2 SER 193.A O no hydrogen 2.967 N/A VAL 189.A N SER 193.A O no hydrogen 2.763 N/A ASN 190.A ND2 ASP 229.A O no hydrogen 2.915 N/A LEU 192.A N VAL 189.A O no hydrogen 3.301 N/A SER 193.A N VAL 189.A O no hydrogen 3.069 N/A PHE 194.A N TRP 206.A O no hydrogen 2.932 N/A VAL 195.A N ILE 187.A O no hydrogen 2.862 N/A THR 196.A N ILE 204.A O no hydrogen 2.858 N/A THR 196.A OG1 HIS 179.A NE2 no hydrogen 2.758 N/A THR 196.A OG1 ILE 204.A O no hydrogen 3.502 N/A GLY 197.A N SER 185.A O no hydrogen 3.037 N/A SER 198.A N GLU 202.A O no hydrogen 3.055 N/A SER 198.A OG GLU 202.A OE2 no hydrogen 2.895 N/A HIS 199.A N ASN 182.A O no hydrogen 3.034 N/A VAL 200.A N SER 198.A OG no hydrogen 3.246 N/A LEU 203.A N GLU 217.A O no hydrogen 2.813 N/A ILE 204.A N THR 196.A O no hydrogen 2.830 N/A ILE 205.A N ALA 215.A O no hydrogen 3.102 N/A TRP 206.A N PHE 194.A O no hydrogen 2.912 N/A TRP 206.A NE1 THR 196.A OG1 no hydrogen 2.867 N/A ASP 207.A N THR 212.A O no hydrogen 2.729 N/A ALA 208.A N LEU 192.A O no hydrogen 2.974 N/A LEU 209.A N ASP 207.A OD2 no hydrogen 2.855 N/A ASP 210.A N ASP 207.A OD2 no hydrogen 3.363 N/A TRP 211.A N ASP 207.A O no hydrogen 3.025 N/A THR 212.A OG1 ASP 210.A OD1 no hydrogen 2.641 N/A GLN 214.A N ILE 205.A O no hydrogen 2.803 N/A ALA 215.A N ILE 205.A O no hydrogen 3.280 N/A GLU 217.A N LEU 203.A O no hydrogen 2.912 N/A SER 222.A OG HIS 199.A O no hydrogen 2.944 N/A ILE 223.A N SER 198.A O no hydrogen 3.053 N/A HIS 224.A N ALA 236.A O no hydrogen 3.088 N/A THR 227.A N PHE 234.A O no hydrogen 2.858 N/A CYS 228.A SG ASN 188.A O no hydrogen 3.766 N/A ASP 229.A N ASN 232.A O no hydrogen 3.210 N/A ASN 232.A N ASP 229.A OD1 no hydrogen 2.797 N/A VAL 233.A N TYR 244.A O no hydrogen 2.802 N/A PHE 234.A N THR 227.A O no hydrogen 2.697 N/A ALA 235.A N TYR 242.A O no hydrogen 2.962 N/A ALA 236.A N HIS 225.A O no hydrogen 2.933 N/A VAL 237.A N GLY 240.A O no hydrogen 2.970 N/A GLY 238.A N SER 222.A O no hydrogen 2.991 N/A GLY 240.A N VAL 237.A O no hydrogen 2.852 N/A LEU 241.A N GLN 255.A O no hydrogen 2.789 N/A TYR 242.A N ALA 235.A O no hydrogen 2.936 N/A VAL 243.A N ALA 253.A O no hydrogen 2.834 N/A TYR 244.A N VAL 233.A O no hydrogen 2.858 N/A TYR 244.A OH GLU 217.A OE1 no hydrogen 3.315 N/A SER 245.A N ARG 250.A O no hydrogen 2.829 N/A LEU 246.A N GLU 231.A O no hydrogen 2.940 N/A MET 248.A N SER 245.A OG no hydrogen 2.949 N/A ILE 252.A N VAL 243.A O no hydrogen 2.954 N/A GLN 255.A N LEU 241.A O no hydrogen 2.916 N/A GLN 255.A NE2 LEU 294.A O no hydrogen 2.746 N/A HIS 259.A N ARG 239.A O no hydrogen 3.236 N/A HIS 259.A NE2 SER 276.A OG no hydrogen 2.789 N/A VAL 263.A N GLY 238.A O no hydrogen 2.785 N/A LEU 264.A N CYS 277.A O no hydrogen 2.735 N/A ALA 267.A N ILE 275.A O no hydrogen 3.167 N/A ARG 268.A NE LEU 269.A O no hydrogen 3.432 N/A ARG 268.A NH1 ASP 229.A OD2 no hydrogen 3.132 N/A ARG 268.A NH2 LEU 269.A O no hydrogen 2.772 N/A LEU 269.A N GLN 273.A O no hydrogen 2.703 N/A LEU 274.A N TRP 286.A O no hydrogen 2.808 N/A ILE 275.A N ALA 267.A O no hydrogen 2.948 N/A SER 276.A N ARG 284.A O no hydrogen 3.009 N/A SER 276.A OG HIS 259.A NE2 no hydrogen 2.789 N/A SER 276.A OG ARG 284.A O no hydrogen 3.510 N/A CYS 277.A N HIS 265.A O no hydrogen 3.127 N/A SER 278.A N SER 282.A O no hydrogen 2.936 N/A SER 278.A OG SER 261.A O no hydrogen 3.106 N/A SER 278.A OG ASP 280.A OD1 no hydrogen 2.707 N/A GLU 279.A N ASN 262.A O no hydrogen 2.987 N/A GLY 281.A N SER 278.A O no hydrogen 2.851 N/A ARG 284.A N SER 276.A O no hydrogen 2.990 N/A ARG 284.A NH1 ALA 258.A O no hydrogen 2.817 N/A ILE 285.A N GLY 298.A O no hydrogen 2.979 N/A TRP 286.A N LEU 274.A O no hydrogen 2.908 N/A TRP 286.A NE1 SER 276.A OG no hydrogen 2.794 N/A GLU 287.A N GLU 295.A O no hydrogen 3.212 N/A LEU 288.A N ARG 272.A O no hydrogen 3.352 N/A ARG 289.A N GLN 293.A O no hydrogen 3.067 N/A GLN 292.A N ARG 289.A O no hydrogen 3.082 N/A ILE 297.A N ILE 285.A O no hydrogen 2.773 N/A GLY 298.A N ILE 285.A O no hydrogen 3.146 N/A LEU 300.A N VAL 283.A O no hydrogen 2.818 N/A HIS 303.A NE2 THR 320.A OG1 no hydrogen 2.777 N/A SER 304.A N ASP 324.A OD1 no hydrogen 3.117 N/A SER 304.A OG ASP 324.A OD1 no hydrogen 3.150 N/A SER 305.A N ASP 324.A OD1 no hydrogen 3.089 N/A SER 305.A OG ASP 324.A OD1 no hydrogen 2.933 N/A SER 306.A OG GLU 308.A OE2 no hydrogen 2.702 N/A VAL 307.A N SER 278.A O no hydrogen 3.484 N/A GLU 308.A N CYS 321.A O no hydrogen 2.973 N/A LEU 311.A N VAL 319.A O no hydrogen 2.741 N/A PHE 313.A N GLY 317.A O no hydrogen 2.906 N/A HIS 316.A N PHE 313.A O no hydrogen 3.022 N/A GLY 317.A N PHE 313.A O no hydrogen 2.838 N/A LEU 318.A N TRP 330.A O no hydrogen 2.816 N/A VAL 319.A N LEU 311.A O no hydrogen 2.825 N/A THR 320.A N ILE 328.A O no hydrogen 3.192 N/A THR 320.A OG1 HIS 303.A NE2 no hydrogen 2.777 N/A THR 320.A OG1 ILE 328.A O no hydrogen 3.334 N/A CYS 321.A SG VAL 16.A O no hydrogen 3.340 N/A CYS 321.A SG MET 309.A O no hydrogen 3.993 N/A SER 322.A N LEU 326.A O no hydrogen 2.998 N/A SER 322.A OG SER 305.A O no hydrogen 2.972 N/A SER 322.A OG SER 306.A O no hydrogen 2.709 N/A ALA 323.A N SER 306.A O no hydrogen 2.877 N/A ASP 324.A N SER 322.A OG no hydrogen 2.953 N/A HIS 325.A N SER 322.A O no hydrogen 3.225 N/A ILE 327.A N LEU 9.A O no hydrogen 3.402 N/A ILE 328.A N THR 320.A O no hydrogen 3.216 N/A LEU 329.A N LEU 7.A O no hydrogen 3.262 N/A TRP 330.A N LEU 318.A O no hydrogen 2.766 N/A TRP 330.A NE1 THR 320.A OG1 no hydrogen 2.759 N/A LYS 331.A N GLU 5.A O no hydrogen 2.942 N/A