Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3niq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.784 N/A HIS 2.A ND1 TYR 77.A O no hydrogen 2.945 N/A GLN 4.A NE2 TYR 77.A O no hydrogen 3.440 N/A GLN 4.A NE2 ASP 78.A OD1 no hydrogen 3.108 N/A LEU 6.A N ARG 22.A O no hydrogen 2.864 N/A ALA 9.A N ASP 7.A OD1 no hydrogen 3.338 N/A GLU 10.A N ASP 7.A O no hydrogen 2.915 N/A ILE 11.A N ASP 7.A O no hydrogen 2.764 N/A ARG 13.A NH1 SER 63.A O no hydrogen 3.111 N/A ALA 15.A N PRO 12.A O no hydrogen 2.972 N/A THR 19.A N ILE 17.A O no hydrogen 2.983 N/A THR 19.A OG1 LEU 23.A O no hydrogen 2.544 N/A PHE 20.A N ASP 84.A OD2 no hydrogen 2.812 N/A MET 21.A N SER 62.A OG no hydrogen 2.801 N/A ARG 22.A N THR 19.A O no hydrogen 2.832 N/A ARG 22.A NH1 ILE 11.A O no hydrogen 3.267 N/A ARG 22.A NH1 ALA 15.A O no hydrogen 2.950 N/A ARG 22.A NH2 ILE 11.A O no hydrogen 2.984 N/A LEU 23.A N PHE 20.A O no hydrogen 3.028 N/A PHE 26.A N ASP 84.A O no hydrogen 2.725 N/A ALA 30.A N ASP 28.A OD1 no hydrogen 2.916 N/A ALA 31.A N ASP 28.A O no hydrogen 3.007 N/A LEU 32.A N PRO 29.A O no hydrogen 2.955 N/A GLN 33.A N ARG 81.A O no hydrogen 2.825 N/A VAL 34.A N ARG 81.A O no hydrogen 3.036 N/A GLY 35.A N LEU 115.A O no hydrogen 2.872 N/A LEU 36.A N GLY 83.A O no hydrogen 2.896 N/A ILE 37.A N LEU 117.A O no hydrogen 2.973 N/A GLY 38.A N GLY 86.A O no hydrogen 3.062 N/A VAL 39.A N VAL 119.A O no hydrogen 2.678 N/A THR 45.A N ASP 42.A O no hydrogen 2.977 N/A THR 45.A OG1 ASP 42.A O no hydrogen 3.428 N/A THR 45.A OG1 ASP 122.A OD2 no hydrogen 2.908 N/A THR 46.A N HIS 162.A NE2 no hydrogen 3.446 N/A THR 46.A OG1 HIS 162.A NE2 no hydrogen 3.130 N/A ASN 47.A ND2 GLY 250.A O no hydrogen 3.199 N/A ARG 48.A NE GLY 250.A O no hydrogen 3.183 N/A ARG 48.A NH2 THR 249.A O no hydrogen 2.853 N/A GLY 50.A N ASP 42.A OD2 no hydrogen 2.722 N/A ARG 52.A N ASP 42.A OD2 no hydrogen 3.070 N/A ARG 52.A NE ASP 42.A OD1 no hydrogen 3.024 N/A ARG 52.A NE ASP 42.A OD2 no hydrogen 3.373 N/A ARG 52.A NH2 ASP 42.A OD1 no hydrogen 2.977 N/A HIS 53.A N GLY 50.A O no hydrogen 3.036 N/A GLY 54.A N ALA 51.A O no hydrogen 2.944 N/A GLU 57.A N HIS 53.A O no hydrogen 3.316 N/A VAL 58.A N GLY 54.A O no hydrogen 2.835 N/A ARG 59.A N PRO 55.A O no hydrogen 2.918 N/A ARG 59.A NE ASP 84.A OD2 no hydrogen 2.767 N/A ARG 59.A NH1 ASP 87.A OD1 no hydrogen 2.682 N/A ARG 59.A NH2 ASP 84.A OD1 no hydrogen 2.955 N/A ARG 59.A NH2 ASP 87.A OD1 no hydrogen 3.000 N/A ASN 60.A N ARG 56.A O no hydrogen 3.034 N/A LEU 61.A N GLU 57.A O no hydrogen 2.952 N/A SER 62.A N VAL 58.A O no hydrogen 2.856 N/A SER 62.A OG ARG 59.A O no hydrogen 2.687 N/A SER 63.A N ASN 60.A O no hydrogen 3.326 N/A SER 63.A OG ASN 60.A O no hydrogen 3.359 N/A LEU 64.A N LEU 61.A O no hydrogen 2.981 N/A MET 65.A N SER 62.A O no hydrogen 3.118 N/A HIS 69.A N ILE 74.A O no hydrogen 2.968 N/A HIS 69.A NE2 GLU 302.A OE1 no hydrogen 2.732 N/A VAL 71.A N HIS 69.A ND1 no hydrogen 3.174 N/A SER 72.A N HIS 69.A ND1 no hydrogen 3.391 N/A ARG 73.A N HIS 69.A O no hydrogen 2.837 N/A ILE 74.A N SER 72.A OG no hydrogen 3.295 N/A ASP 78.A N ALA 75.A O no hydrogen 3.090 N/A LEU 79.A N ALA 75.A O no hydrogen 3.071 N/A VAL 80.A N PRO 76.A O no hydrogen 3.029 N/A ARG 81.A N GLN 33.A OE1 no hydrogen 2.863 N/A ARG 81.A NE ALA 31.A O no hydrogen 2.657 N/A ARG 81.A NH2 ALA 31.A O no hydrogen 2.907 N/A GLY 83.A N VAL 34.A O no hydrogen 3.400 N/A ASP 84.A N PRO 24.A O no hydrogen 3.117 N/A LEU 85.A N LEU 36.A O no hydrogen 2.859 N/A GLY 86.A N ASP 84.A OD1 no hydrogen 2.775 N/A ALA 88.A N GLY 38.A O no hydrogen 2.841 N/A ASN 91.A N SER 98.A OG no hydrogen 2.583 N/A ASN 91.A ND2 ASP 97.A OD2 no hydrogen 2.989 N/A ILE 93.A N ASN 91.A OD1 no hydrogen 2.917 N/A ASP 94.A N ASN 91.A O no hydrogen 3.360 N/A ASP 94.A N ASN 91.A OD1 no hydrogen 3.237 N/A ASP 97.A N ASP 94.A OD1 no hydrogen 2.967 N/A SER 98.A N ASP 94.A O no hydrogen 3.034 N/A SER 98.A OG ASN 91.A O no hydrogen 2.684 N/A SER 98.A OG ASP 94.A O no hydrogen 3.419 N/A LEU 99.A N LEU 95.A O no hydrogen 3.022 N/A ARG 100.A N LEU 96.A O no hydrogen 3.117 N/A ARG 100.A NH2 ASP 97.A OD1 no hydrogen 2.894 N/A ARG 101.A N ASP 97.A O no hydrogen 2.942 N/A ARG 101.A NH1 ASP 97.A OD2 no hydrogen 2.961 N/A ILE 102.A N SER 98.A O no hydrogen 2.727 N/A GLU 103.A N LEU 99.A O no hydrogen 3.116 N/A GLY 104.A N ARG 100.A O no hydrogen 3.079 N/A PHE 105.A N ARG 101.A O no hydrogen 3.120 N/A TYR 106.A N ILE 102.A O no hydrogen 3.083 N/A TYR 106.A OH SER 118.A OG no hydrogen 2.527 N/A ARG 107.A N GLU 103.A O no hydrogen 2.797 N/A ARG 107.A NE GLU 103.A OE2 no hydrogen 2.976 N/A ARG 107.A NH2 GLU 103.A OE2 no hydrogen 2.894 N/A GLN 108.A N GLY 104.A O no hydrogen 3.362 N/A VAL 109.A N PHE 105.A O no hydrogen 3.066 N/A HIS 110.A N TYR 106.A O no hydrogen 2.832 N/A ALA 111.A N ARG 107.A O no hydrogen 2.824 N/A ALA 112.A N GLN 108.A O no hydrogen 3.160 N/A ALA 112.A N VAL 109.A O no hydrogen 3.150 N/A GLY 113.A N HIS 110.A O no hydrogen 2.795 N/A THR 114.A N VAL 109.A O no hydrogen 3.289 N/A THR 114.A OG1 PRO 29.A O no hydrogen 2.724 N/A THR 114.A OG1 LEU 32.A O no hydrogen 2.978 N/A LEU 115.A N GLN 33.A O no hydrogen 2.990 N/A LEU 117.A N GLY 35.A O no hydrogen 2.807 N/A SER 118.A N ALA 277.A O no hydrogen 3.008 N/A SER 118.A OG TYR 106.A OH no hydrogen 2.527 N/A VAL 119.A N ILE 37.A O no hydrogen 2.769 N/A GLY 120.A N VAL 279.A O no hydrogen 3.013 N/A GLY 121.A N ALA 51.A O no hydrogen 2.736 N/A ASP 122.A N TRP 41.A O no hydrogen 3.028 N/A HIS 123.A N GLU 281.A OE2 no hydrogen 2.847 N/A HIS 123.A NE2 SER 235.A OG no hydrogen 2.646 N/A LEU 124.A N ASP 122.A OD1 no hydrogen 2.910 N/A VAL 125.A N ASP 122.A O no hydrogen 3.131 N/A THR 126.A N HIS 123.A O no hydrogen 3.048 N/A THR 126.A OG1 HIS 123.A O no hydrogen 3.467 N/A THR 126.A OG1 ASP 278.A OD2 no hydrogen 2.856 N/A LEU 127.A N LEU 124.A O no hydrogen 3.065 N/A PHE 130.A N THR 126.A O no hydrogen 2.860 N/A ARG 131.A N LEU 127.A O no hydrogen 2.861 N/A ARG 131.A NE GLU 172.A OE1 no hydrogen 2.743 N/A ARG 131.A NH2 TYR 160.A OH no hydrogen 3.137 N/A ARG 131.A NH2 GLU 172.A OE1 no hydrogen 3.539 N/A ARG 131.A NH2 GLU 172.A OE2 no hydrogen 2.815 N/A ALA 132.A N PRO 128.A O no hydrogen 3.134 N/A LEU 133.A N ILE 129.A O no hydrogen 2.839 N/A GLY 134.A N PHE 130.A O no hydrogen 2.716 N/A LEU 139.A N LEU 174.A O no hydrogen 2.792 N/A GLY 140.A N PRO 231.A O no hydrogen 2.848 N/A MET 141.A N ARG 179.A O no hydrogen 2.868 N/A VAL 142.A N TYR 233.A O no hydrogen 3.028 N/A HIS 143.A N VAL 181.A O no hydrogen 2.891 N/A HIS 143.A NE2 ASP 145.A OD2 no hydrogen 2.849 N/A PHE 144.A N SER 235.A O no hydrogen 3.003 N/A ASP 145.A N ILE 183.A O no hydrogen 2.967 N/A ALA 146.A N ASP 239.A OD1 no hydrogen 3.213 N/A HIS 147.A N ASP 145.A OD1 no hydrogen 2.765 N/A HIS 147.A NE2 GLU 253.A OE2 no hydrogen 2.841 N/A SER 148.A OG THR 150.A OG1 no hydrogen 3.079 N/A THR 150.A OG1 SER 148.A OG no hydrogen 3.079 N/A ASN 151.A N GLY 163.A O no hydrogen 2.869 N/A ASN 151.A ND2 TYR 154.A OH no hydrogen 2.369 N/A TYR 154.A N ASN 158.A O no hydrogen 3.134 N/A ASN 158.A ND2 TYR 154.A O no hydrogen 3.092 N/A THR 161.A N THR 164.A OG1 no hydrogen 2.976 N/A HIS 162.A N GLY 44.A O no hydrogen 2.883 N/A HIS 162.A ND1 GLU 281.A OE2 no hydrogen 3.206 N/A HIS 162.A NE2 THR 46.A OG1 no hydrogen 3.130 N/A GLY 163.A N THR 161.A OG1 no hydrogen 2.892 N/A THR 164.A N THR 161.A O no hydrogen 2.982 N/A THR 164.A OG1 PRO 159.A O no hydrogen 2.765 N/A THR 164.A OG1 THR 161.A O no hydrogen 3.116 N/A PHE 166.A N ASP 149.A O no hydrogen 3.235 N/A ARG 168.A N THR 164.A O no hydrogen 3.111 N/A ARG 168.A NE PRO 159.A O no hydrogen 2.739 N/A ARG 168.A NH2 ASP 152.A OD1 no hydrogen 3.368 N/A ARG 168.A NH2 PRO 159.A O no hydrogen 3.357 N/A ALA 169.A N PRO 165.A O no hydrogen 2.847 N/A ILE 170.A N PHE 166.A O no hydrogen 3.105 N/A GLU 171.A N ARG 167.A O no hydrogen 2.946 N/A GLU 172.A N ARG 168.A O no hydrogen 2.840 N/A GLY 173.A N ILE 170.A O no hydrogen 2.947 N/A LEU 174.A N ALA 169.A O no hydrogen 2.812 N/A LEU 175.A N ALA 169.A O no hydrogen 3.294 N/A ASP 176.A N LEU 139.A O no hydrogen 2.762 N/A LEU 178.A N ASP 176.A OD1 no hydrogen 3.135 N/A ARG 179.A N ASP 176.A O no hydrogen 3.006 N/A ARG 179.A NH1 VAL 227.A O no hydrogen 3.021 N/A ARG 179.A NH1 PRO 231.A O no hydrogen 3.243 N/A ARG 179.A NH2 PRO 231.A O no hydrogen 2.805 N/A THR 180.A N PRO 177.A O no hydrogen 3.189 N/A THR 180.A OG1 ASP 176.A O no hydrogen 2.828 N/A VAL 181.A N MET 141.A O no hydrogen 3.020 N/A GLN 182.A N ARG 204.A O no hydrogen 2.838 N/A GLN 182.A NE2 HIS 143.A ND1 no hydrogen 3.121 N/A GLN 182.A NE2 SER 148.A O no hydrogen 2.861 N/A ILE 183.A N HIS 143.A O no hydrogen 2.832 N/A GLY 184.A N ILE 206.A O no hydrogen 2.899 N/A ARG 186.A N ALA 146.A O no hydrogen 2.930 N/A ARG 186.A NE GLU 253.A O no hydrogen 3.146 N/A ARG 186.A NE ILE 254.A O no hydrogen 3.227 N/A ARG 186.A NH1 GLY 184.A O no hydrogen 3.152 N/A ARG 186.A NH1 VAL 240.A O no hydrogen 2.836 N/A ARG 186.A NH2 ASP 239.A O no hydrogen 2.910 N/A ARG 186.A NH2 VAL 240.A O no hydrogen 3.288 N/A ARG 186.A NH2 LEU 241.A O no hydrogen 3.269 N/A ARG 186.A NH2 GLU 253.A O no hydrogen 2.843 N/A ASP 193.A N SER 191.A OG no hydrogen 3.229 N/A ARG 199.A N ASP 195.A O no hydrogen 2.980 N/A GLU 200.A N ALA 196.A O no hydrogen 2.853 N/A CYS 201.A N PHE 197.A O no hydrogen 2.880 N/A CYS 201.A SG PHE 197.A O no hydrogen 3.297 N/A GLY 202.A N ALA 198.A O no hydrogen 2.868 N/A GLY 202.A N ARG 199.A O no hydrogen 3.351 N/A ILE 203.A N ALA 198.A O no hydrogen 3.059 N/A ARG 204.A N THR 180.A O no hydrogen 3.002 N/A ARG 204.A NE GLU 222.A OE2 no hydrogen 2.833 N/A ARG 204.A NH1 GLU 210.A OE1 no hydrogen 2.955 N/A ARG 204.A NH1 GLU 210.A OE2 no hydrogen 3.512 N/A ARG 204.A NH2 GLU 210.A OE2 no hydrogen 2.750 N/A ILE 206.A N GLN 182.A O no hydrogen 2.639 N/A MET 208.A N ILE 185.A O no hydrogen 2.736 N/A PHE 211.A N HIS 207.A O no hydrogen 2.919 N/A VAL 212.A N MET 208.A O no hydrogen 2.950 N/A GLU 213.A N GLU 209.A O no hydrogen 2.992 N/A LEU 214.A N GLU 210.A O no hydrogen 2.848 N/A GLY 215.A N PHE 211.A O no hydrogen 2.930 N/A THR 219.A N GLY 215.A O no hydrogen 3.110 N/A THR 219.A OG1 GLY 215.A O no hydrogen 2.999 N/A LEU 220.A N VAL 216.A O no hydrogen 2.946 N/A ALA 221.A N GLU 217.A O no hydrogen 3.096 N/A GLU 222.A N ALA 218.A O no hydrogen 2.957 N/A ALA 223.A N THR 219.A O no hydrogen 2.831 N/A ARG 224.A N LEU 220.A O no hydrogen 2.853 N/A ARG 224.A NH1 GLY 268.A O no hydrogen 2.779 N/A ARG 224.A NH1 ARG 270.A O no hydrogen 2.782 N/A ARG 224.A NH2 ARG 270.A O no hydrogen 3.515 N/A ARG 225.A N ALA 221.A O no hydrogen 2.989 N/A ARG 225.A NE GLU 222.A OE1 no hydrogen 3.038 N/A ARG 225.A NH2 GLU 222.A OE2 no hydrogen 2.734 N/A VAL 226.A N GLU 222.A O no hydrogen 3.015 N/A VAL 227.A N ALA 223.A O no hydrogen 3.254 N/A GLY 228.A N ARG 224.A O no hydrogen 2.858 N/A THR 232.A N ASP 273.A O no hydrogen 2.768 N/A THR 232.A OG1 GLY 230.A O no hydrogen 2.837 N/A TYR 233.A N GLY 140.A O no hydrogen 2.897 N/A TYR 233.A OH ASP 278.A OD2 no hydrogen 2.556 N/A VAL 234.A N GLY 276.A O no hydrogen 3.098 N/A SER 235.A N VAL 142.A O no hydrogen 3.074 N/A SER 235.A OG HIS 123.A NE2 no hydrogen 2.646 N/A SER 235.A OG ASP 278.A OD1 no hydrogen 2.689 N/A PHE 236.A N ASP 278.A O no hydrogen 2.857 N/A ASP 237.A N PHE 144.A O no hydrogen 2.927 N/A VAL 238.A N VAL 280.A O no hydrogen 3.214 N/A ASP 239.A N ASP 237.A OD1 no hydrogen 2.903 N/A VAL 240.A N ASP 237.A O no hydrogen 2.921 N/A LEU 241.A N VAL 238.A O no hydrogen 2.999 N/A ASP 242.A N MET 257.A O no hydrogen 2.853 N/A ALA 244.A N ASP 242.A OD2 no hydrogen 2.928 N/A PHE 245.A N ASP 242.A O no hydrogen 2.912 N/A ALA 246.A N ASP 242.A O no hydrogen 3.077 N/A GLY 248.A N THR 292.A OG1 no hydrogen 2.814 N/A THR 249.A N PRO 247.A O no hydrogen 2.980 N/A THR 249.A OG1 GLU 281.A O no hydrogen 2.872 N/A GLY 255.A N ASP 242.A OD1 no hydrogen 2.696 N/A GLY 256.A N ASP 242.A OD1 no hydrogen 2.918 N/A MET 257.A N VAL 240.A O no hydrogen 3.017 N/A THR 258.A N GLN 261.A OE1 no hydrogen 2.948 N/A GLN 261.A N THR 258.A OG1 no hydrogen 3.011 N/A ALA 262.A N THR 258.A O no hydrogen 3.008 N/A GLN 263.A N SER 259.A O no hydrogen 2.955 N/A GLN 263.A NE2 GLU 302.A OE2 no hydrogen 3.032 N/A GLN 264.A N LEU 260.A O no hydrogen 3.029 N/A LEU 265.A N GLN 261.A O no hydrogen 2.901 N/A VAL 266.A N ALA 262.A O no hydrogen 2.969 N/A ARG 267.A N GLN 263.A O no hydrogen 2.928 N/A ARG 267.A NE HIS 69.A NE2 no hydrogen 3.407 N/A ARG 267.A NE GLU 302.A OE1 no hydrogen 2.973 N/A ARG 267.A NH2 GLU 302.A OE2 no hydrogen 3.001 N/A GLY 268.A N GLN 264.A O no hydrogen 3.218 N/A LEU 269.A N VAL 266.A O no hydrogen 2.930 N/A ARG 270.A N ARG 267.A O no hydrogen 3.169 N/A ARG 270.A NE GLU 309.A OE1 no hydrogen 3.421 N/A ARG 270.A NE GLU 309.A OE2 no hydrogen 2.959 N/A ARG 270.A NH2 GLU 309.A OE1 no hydrogen 2.892 N/A LEU 272.A N LEU 269.A O no hydrogen 3.328 N/A LEU 274.A N SER 310.A OG no hydrogen 3.209 N/A VAL 275.A N THR 232.A O no hydrogen 2.904 N/A ALA 277.A N PRO 116.A O no hydrogen 3.100 N/A ASP 278.A N VAL 234.A O no hydrogen 2.867 N/A VAL 279.A N SER 118.A O no hydrogen 2.898 N/A VAL 280.A N PHE 236.A O no hydrogen 2.807 N/A GLU 281.A N GLY 121.A O no hydrogen 2.788 N/A SER 283.A N GLY 248.A O no hydrogen 2.785 N/A SER 283.A OG ALA 49.A O no hydrogen 3.543 N/A PHE 286.A N SER 283.A O no hydrogen 2.901 N/A ASP 287.A N PRO 284.A O no hydrogen 2.969 N/A VAL 288.A N ASP 287.A OD1 no hydrogen 2.781 N/A ALA 291.A N VAL 288.A O no hydrogen 3.002 N/A THR 292.A N ASP 287.A OD1 no hydrogen 2.873 N/A THR 292.A N ASP 287.A OD2 no hydrogen 3.127 N/A THR 292.A OG1 ASP 287.A OD1 no hydrogen 2.701 N/A ALA 293.A N ASP 287.A OD2 no hydrogen 3.202 N/A LEU 294.A N GLY 290.A O no hydrogen 2.999 N/A VAL 295.A N ALA 291.A O no hydrogen 2.986 N/A GLY 296.A N THR 292.A O no hydrogen 2.686 N/A ALA 297.A N ALA 293.A O no hydrogen 2.768 N/A THR 298.A N LEU 294.A O no hydrogen 2.833 N/A THR 298.A OG1 LEU 294.A O no hydrogen 2.764 N/A MET 299.A N VAL 295.A O no hydrogen 2.918 N/A MET 300.A N GLY 296.A O no hydrogen 2.868 N/A PHE 301.A N ALA 297.A O no hydrogen 2.989 N/A GLU 302.A N THR 298.A O no hydrogen 2.844 N/A LEU 303.A N MET 299.A O no hydrogen 2.872 N/A LEU 304.A N MET 300.A O no hydrogen 2.779 N/A CYS 305.A N PHE 301.A O no hydrogen 3.125 N/A CYS 305.A SG PHE 301.A O no hydrogen 3.481 N/A LEU 307.A N LEU 303.A O no hydrogen 2.919 N/A ALA 308.A N LEU 304.A O no hydrogen 2.777 N/A GLU 309.A N CYS 305.A O no hydrogen 3.361 N/A SER 310.A N LEU 306.A O no hydrogen 3.145 N/A SER 310.A OG LEU 272.A O no hydrogen 3.222 N/A SER 310.A OG LEU 274.A O no hydrogen 3.499 N/A ALA 311.A N LEU 307.A O no hydrogen 2.799 N/A ALA 312.A N ALA 308.A O no hydrogen 2.859 N/A ARG 313.A N GLU 309.A O no hydrogen 3.020 N/A ARG 313.A NH2 LEU 272.A O no hydrogen 3.192 N/A SER 314.A N SER 310.A O no hydrogen 3.050 N/A SER 314.A OG ALA 311.A O no hydrogen 3.493 N/A ALA 315.A N ALA 311.A O no hydrogen 3.199 N/A