Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gaa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ARG 323.A O no hydrogen 2.952 N/A THR 3.A OG1 GLU 42.A OE2 no hydrogen 2.612 N/A LYS 5.A N ASP 2.A OD1 no hydrogen 2.999 N/A LEU 6.A N ASP 2.A O no hydrogen 3.154 N/A ALA 7.A N THR 3.A O no hydrogen 2.940 N/A ASP 8.A N HIS 4.A O no hydrogen 2.926 N/A ASP 9.A N LYS 5.A O no hydrogen 2.898 N/A VAL 10.A N LEU 6.A O no hydrogen 2.865 N/A LEU 11.A N ALA 7.A O no hydrogen 3.014 N/A GLN 12.A N ASP 8.A O no hydrogen 3.015 N/A LEU 13.A N ASP 9.A O no hydrogen 3.091 N/A LEU 14.A N VAL 10.A O no hydrogen 2.964 N/A ASP 15.A N LEU 11.A O no hydrogen 2.866 N/A ASN 16.A N GLN 12.A O no hydrogen 2.976 N/A ARG 17.A N LEU 13.A O no hydrogen 2.849 N/A ARG 17.A N LEU 14.A O no hydrogen 3.179 N/A ARG 17.A NE ASN 21.A OD1 no hydrogen 2.701 N/A ARG 17.A NH2 ASN 21.A OD1 no hydrogen 2.782 N/A ILE 18.A N ASP 15.A O no hydrogen 3.358 N/A ASP 20.A N ARG 17.A O no hydrogen 2.815 N/A ASN 21.A N ARG 17.A O no hydrogen 2.792 N/A ASN 21.A ND2 SER 185.A OG no hydrogen 3.046 N/A ASN 21.A ND2 THR 259.A O no hydrogen 2.709 N/A TYR 22.A N SER 185.A O no hydrogen 2.928 N/A TYR 22.A OH LYS 230.A O no hydrogen 2.386 N/A ARG 23.A NE THR 232.A O no hydrogen 2.946 N/A ARG 23.A NH1 THR 184.A OG1 no hydrogen 2.898 N/A ARG 23.A NH2 THR 232.A O no hydrogen 2.794 N/A VAL 24.A N ARG 233.A O no hydrogen 2.973 N/A CYS 25.A N ALA 261.A O no hydrogen 2.919 N/A VAL 26.A N VAL 235.A O no hydrogen 2.793 N/A ILE 27.A N LEU 263.A O no hydrogen 2.860 N/A LEU 28.A N LEU 237.A O no hydrogen 2.891 N/A VAL 29.A N TYR 265.A O no hydrogen 2.894 N/A SER 34.A N SER 31.A O no hydrogen 3.038 N/A SER 34.A OG SER 31.A O no hydrogen 2.773 N/A LYS 36.A NZ GLY 30.A O no hydrogen 3.005 N/A LYS 36.A NZ SER 31.A O no hydrogen 3.395 N/A THR 38.A OG1 GLY 35.A O no hydrogen 3.055 N/A ILE 39.A N GLY 35.A O no hydrogen 3.093 N/A ALA 40.A N LYS 36.A O no hydrogen 3.006 N/A GLU 41.A N SER 37.A O no hydrogen 3.095 N/A GLU 42.A N THR 38.A O no hydrogen 2.918 N/A LEU 43.A N ILE 39.A O no hydrogen 2.866 N/A ILE 45.A N GLU 42.A O no hydrogen 2.909 N/A ILE 46.A N LEU 43.A O no hydrogen 3.118 N/A ASN 47.A ND2 ALA 135.A O no hydrogen 3.103 N/A GLU 48.A N GLN 44.A O no hydrogen 2.996 N/A LYS 49.A N ILE 45.A O no hydrogen 3.013 N/A TYR 50.A N ILE 46.A O no hydrogen 3.073 N/A TYR 50.A OH SER 199.A OG no hydrogen 2.800 N/A HIS 51.A N ASN 47.A O no hydrogen 2.926 N/A HIS 51.A NE2 ILE 132.A O no hydrogen 2.925 N/A THR 52.A N GLU 48.A O no hydrogen 2.956 N/A THR 52.A OG1 GLU 48.A O no hydrogen 2.935 N/A PHE 53.A N LYS 49.A O no hydrogen 3.025 N/A LEU 54.A N TYR 50.A O no hydrogen 2.843 N/A SER 55.A N HIS 51.A O no hydrogen 2.981 N/A GLU 56.A N PHE 53.A O no hydrogen 3.300 N/A HIS 57.A N LEU 54.A O no hydrogen 3.072 N/A HIS 57.A ND1 PHE 53.A O no hydrogen 2.775 N/A VAL 60.A N HIS 57.A O no hydrogen 3.324 N/A GLU 62.A N SER 199.A O no hydrogen 3.027 N/A ASN 64.A N PHE 202.A O no hydrogen 2.783 N/A ASN 64.A ND2 LYS 200.A O no hydrogen 2.386 N/A ASN 64.A ND2 PHE 202.A O no hydrogen 3.508 N/A LYS 68.A N ASP 65.A O no hydrogen 3.125 N/A VAL 71.A N THR 205.A O no hydrogen 3.082 N/A ASP 75.A N ASN 72.A OD1 no hydrogen 2.734 N/A SER 76.A OG ASP 75.A OD1 no hydrogen 2.836 N/A LEU 77.A N VAL 74.A O no hydrogen 2.834 N/A LEU 80.A N LYS 108.A O no hydrogen 2.657 N/A GLN 81.A NE2 THR 79.A O no hydrogen 3.181 N/A VAL 85.A N GLN 81.A O no hydrogen 3.029 N/A ALA 86.A N PRO 82.A O no hydrogen 3.164 N/A GLU 87.A N ASN 83.A O no hydrogen 3.056 N/A MET 88.A N LYS 84.A O no hydrogen 2.854 N/A ILE 89.A N VAL 85.A O no hydrogen 2.885 N/A GLU 90.A N ALA 86.A O no hydrogen 2.774 N/A ASN 91.A N GLU 87.A O no hydrogen 2.848 N/A GLY 93.A N MET 88.A O no hydrogen 2.751 N/A LEU 94.A N ASN 91.A O no hydrogen 3.137 N/A HIS 98.A N PHE 95.A O no hydrogen 3.114 N/A HIS 98.A ND1 ASP 101.A OD2 no hydrogen 3.074 N/A ASP 101.A N HIS 98.A O no hydrogen 2.891 N/A ASN 103.A N ASP 101.A OD1 no hydrogen 3.029 N/A PHE 104.A N ASP 101.A O no hydrogen 3.247 N/A GLN 105.A NE2 ASN 103.A O no hydrogen 3.134 N/A VAL 107.A N VAL 117.A O no hydrogen 2.837 N/A LYS 108.A N LYS 78.A O no hydrogen 3.074 N/A LYS 108.A NZ VAL 74.A O no hydrogen 2.820 N/A TYR 109.A N ALA 115.A O no hydrogen 3.175 N/A ALA 115.A N TYR 109.A O no hydrogen 2.978 N/A VAL 116.A N ILE 126.A O no hydrogen 2.785 N/A VAL 117.A N VAL 107.A O no hydrogen 2.978 N/A ARG 119.A NE VAL 99.A O no hydrogen 2.919 N/A ARG 119.A NH1 SER 171.A OG no hydrogen 3.055 N/A ARG 119.A NH1 ASN 172.A OD1 no hydrogen 2.832 N/A GLY 120.A N ASP 170.A OD2 no hydrogen 2.779 N/A GLY 121.A N ALA 118.A O no hydrogen 2.923 N/A THR 122.A N GLY 93.A O no hydrogen 2.995 N/A THR 122.A OG1 GLY 93.A O no hydrogen 3.433 N/A ASN 124.A N GLY 121.A O no hydrogen 3.192 N/A ASN 124.A ND2 GLY 142.A O no hydrogen 3.008 N/A ASN 124.A ND2 HIS 144.A O no hydrogen 2.803 N/A ALA 125.A N THR 122.A O no hydrogen 3.127 N/A ILE 126.A N VAL 116.A O no hydrogen 2.949 N/A ARG 127.A N PHE 210.A O no hydrogen 2.880 N/A ARG 127.A NH1 ASP 224.A OD1 no hydrogen 3.532 N/A ILE 128.A N THR 114.A O no hydrogen 2.827 N/A ALA 129.A N ASP 208.A O no hydrogen 3.162 N/A ILE 134.A N ASN 47.A OD1 no hydrogen 2.883 N/A ALA 135.A N ASN 47.A OD1 no hydrogen 2.898 N/A GLN 136.A N ILE 234.A O no hydrogen 3.035 N/A GLN 136.A NE2 CYS 227.A O no hydrogen 3.116 N/A ILE 137.A N GLN 136.A OE1 no hydrogen 2.865 N/A VAL 138.A N ILE 236.A O no hydrogen 2.689 N/A MET 140.A N GLU 238.A O no hydrogen 3.046 N/A PHE 143.A N MET 140.A O no hydrogen 2.829 N/A HIS 144.A N ASP 141.A O no hydrogen 3.135 N/A HIS 144.A ND1 ASP 141.A O no hydrogen 2.837 N/A LEU 145.A N THR 168.A O no hydrogen 2.915 N/A ARG 147.A N ASP 220.A OD1 no hydrogen 2.849 N/A ARG 147.A NE ASP 220.A OD2 no hydrogen 2.998 N/A ARG 147.A NH1 ASP 220.A OD2 no hydrogen 3.524 N/A CYS 149.A N SER 146.A OG no hydrogen 3.010 N/A LEU 150.A N SER 146.A O no hydrogen 2.922 N/A ASP 151.A N ARG 147.A O no hydrogen 3.088 N/A ASP 151.A N ARG 148.A O no hydrogen 3.190 N/A LEU 152.A N CYS 149.A O no hydrogen 3.135 N/A PHE 153.A N LEU 150.A O no hydrogen 3.106 N/A LYS 154.A N GLU 100.A OE2 no hydrogen 2.694 N/A GLN 157.A NE2 ASP 155.A OD1 no hydrogen 2.844 N/A THR 158.A OG1 ASP 155.A OD2 no hydrogen 2.540 N/A ALA 159.A N ASP 155.A O no hydrogen 3.139 N/A HIS 160.A N PRO 156.A O no hydrogen 2.836 N/A HIS 160.A ND1 PRO 156.A O no hydrogen 3.031 N/A LYS 161.A N GLN 157.A O no hydrogen 3.019 N/A ARG 162.A N THR 158.A O no hydrogen 2.783 N/A ARG 163.A N HIS 160.A O no hydrogen 2.957 N/A ARG 163.A NH1 LYS 219.A O no hydrogen 2.733 N/A ARG 163.A NH2 LEU 145.A O no hydrogen 2.971 N/A ARG 163.A NH2 LYS 219.A O no hydrogen 3.325 N/A ARG 163.A NH2 ASP 220.A OD1 no hydrogen 3.055 N/A GLY 164.A N THR 168.A OG1 no hydrogen 2.776 N/A SER 165.A N ARG 162.A O no hydrogen 3.029 N/A SER 165.A OG ARG 162.A O no hydrogen 3.338 N/A SER 165.A OG SER 167.A OG no hydrogen 3.165 N/A SER 167.A OG SER 165.A OG no hydrogen 3.165 N/A THR 168.A N SER 165.A O no hydrogen 2.927 N/A THR 168.A OG1 SER 165.A O no hydrogen 2.731 N/A ASP 170.A N PHE 143.A O no hydrogen 2.795 N/A SER 171.A OG ASN 172.A OD1 no hydrogen 3.349 N/A SER 171.A OG GLU 247.A OE1 no hydrogen 2.536 N/A SER 171.A OG ASN 248.A OD1 no hydrogen 3.043 N/A ASN 172.A ND2 ASP 101.A O no hydrogen 3.050 N/A ASN 172.A ND2 PHE 104.A O no hydrogen 2.716 N/A ASN 173.A N ASP 170.A OD1 no hydrogen 3.014 N/A PHE 174.A N ASP 170.A O no hydrogen 3.105 N/A LEU 175.A N SER 171.A O no hydrogen 2.968 N/A GLN 176.A N ASN 172.A O no hydrogen 3.068 N/A LEU 177.A N ASN 173.A O no hydrogen 2.792 N/A CYS 178.A N PHE 174.A O no hydrogen 2.946 N/A CYS 178.A SG PHE 174.A O no hydrogen 3.538 N/A LYS 179.A N LEU 175.A O no hydrogen 2.883 N/A ILE 180.A N GLN 176.A O no hydrogen 3.006 N/A LEU 181.A N LEU 177.A O no hydrogen 2.895 N/A ALA 182.A N CYS 178.A O no hydrogen 2.883 N/A LYS 183.A N LYS 179.A O no hydrogen 3.097 N/A LYS 183.A NZ ASN 72.A O no hydrogen 2.427 N/A LYS 183.A NZ ASP 75.A OD2 no hydrogen 2.740 N/A THR 184.A N ILE 180.A O no hydrogen 2.950 N/A THR 184.A OG1 ILE 180.A O no hydrogen 3.385 N/A THR 184.A OG1 LEU 181.A O no hydrogen 2.680 N/A SER 185.A N ALA 182.A O no hydrogen 3.113 N/A SER 185.A OG ARG 23.A O no hydrogen 2.988 N/A LEU 186.A N ALA 182.A O no hydrogen 2.797 N/A SER 189.A OG SER 189.A O no hydrogen 2.562 N/A SER 193.A N THR 191.A OG1 no hydrogen 3.091 N/A GLU 196.A N SER 193.A OG no hydrogen 3.186 N/A LYS 197.A N SER 193.A O no hydrogen 3.005 N/A LYS 197.A NZ ASP 15.A OD1 no hydrogen 2.983 N/A LEU 198.A N VAL 194.A O no hydrogen 2.919 N/A SER 199.A N PHE 195.A O no hydrogen 2.967 N/A SER 199.A OG TYR 50.A OH no hydrogen 2.800 N/A SER 199.A OG PHE 195.A O no hydrogen 2.617 N/A LYS 200.A N GLU 196.A O no hydrogen 3.331 N/A LYS 200.A N LYS 197.A O no hydrogen 3.346 N/A LYS 200.A NZ VAL 60.A O no hydrogen 2.945 N/A LYS 200.A NZ GLU 62.A OE2 no hydrogen 2.563 N/A THR 201.A N LEU 198.A O no hydrogen 3.123 N/A THR 201.A OG1 LYS 197.A O no hydrogen 2.973 N/A THR 201.A OG1 LEU 198.A O no hydrogen 3.263 N/A SER 203.A N TYR 22.A OH no hydrogen 2.858 N/A SER 203.A OG ASP 65.A OD2 no hydrogen 2.493 N/A SER 203.A OG THR 205.A OG1 no hydrogen 2.651 N/A GLN 204.A N ASN 64.A O no hydrogen 3.000 N/A GLN 204.A NE2 GLN 204.A O no hydrogen 3.320 N/A THR 205.A N SER 203.A OG no hydrogen 3.245 N/A THR 205.A OG1 SER 203.A OG no hydrogen 2.651 N/A ILE 206.A N SER 203.A O no hydrogen 3.270 N/A ILE 209.A N ILE 228.A O no hydrogen 2.738 N/A PHE 210.A N ARG 127.A O no hydrogen 2.694 N/A VAL 211.A N TYR 226.A O no hydrogen 2.889 N/A GLY 213.A N THR 222.A O no hydrogen 2.687 N/A ASN 215.A N ASP 220.A O no hydrogen 2.842 N/A LEU 218.A N ASN 215.A OD1 no hydrogen 2.666 N/A ASP 220.A N ASN 215.A O no hydrogen 3.310 N/A THR 222.A N GLY 213.A O no hydrogen 2.655 N/A THR 222.A OG1 GLN 225.A OE1 no hydrogen 3.130 N/A GLN 225.A N VAL 211.A O no hydrogen 2.927 N/A TYR 226.A N VAL 211.A O no hydrogen 3.177 N/A ILE 228.A N ILE 209.A O no hydrogen 2.756 N/A SER 229.A N THR 232.A OG1 no hydrogen 2.984 N/A PHE 231.A N SER 229.A OG no hydrogen 3.198 N/A THR 232.A N SER 229.A O no hydrogen 2.845 N/A THR 232.A OG1 SER 229.A O no hydrogen 3.318 N/A ARG 233.A N ILE 134.A O no hydrogen 2.768 N/A ARG 233.A NE TYR 22.A O no hydrogen 2.670 N/A ARG 233.A NH1 LEU 198.A O no hydrogen 2.857 N/A ARG 233.A NH2 THR 201.A OG1 no hydrogen 2.692 N/A ILE 234.A N ILE 134.A O no hydrogen 2.878 N/A VAL 235.A N VAL 24.A O no hydrogen 2.972 N/A ILE 236.A N GLN 136.A O no hydrogen 2.846 N/A LEU 237.A N VAL 26.A O no hydrogen 2.807 N/A GLU 238.A N VAL 138.A O no hydrogen 3.156 N/A GLY 239.A N LEU 28.A O no hydrogen 3.083 N/A TYR 241.A OH GLY 164.A O no hydrogen 2.590 N/A TYR 244.A N TYR 241.A O no hydrogen 3.280 N/A TYR 244.A OH ASP 308.A OD1 no hydrogen 3.275 N/A TYR 244.A OH ASP 308.A OD2 no hydrogen 2.456 N/A ASP 245.A N HIS 312.A O no hydrogen 2.800 N/A GLN 246.A NE2 ASP 245.A OD1 no hydrogen 2.894 N/A ASN 248.A N GLU 247.A OE1 no hydrogen 2.852 N/A LYS 250.A N GLN 246.A O no hydrogen 3.187 N/A LYS 251.A N ASN 248.A O no hydrogen 3.120 N/A ILE 252.A N TRP 249.A O no hydrogen 3.035 N/A LYS 254.A NZ ASP 258.A OD1 no hydrogen 3.418 N/A LYS 254.A NZ ASP 258.A OD2 no hydrogen 2.770 N/A THR 255.A N LYS 251.A O no hydrogen 3.004 N/A THR 255.A OG1 LYS 251.A O no hydrogen 2.495 N/A LEU 256.A N ILE 252.A O no hydrogen 3.047 N/A ALA 257.A N TYR 253.A O no hydrogen 2.549 N/A ASP 258.A N LYS 254.A O no hydrogen 2.854 N/A THR 259.A N LEU 256.A O no hydrogen 3.120 N/A THR 259.A OG1 LEU 256.A O no hydrogen 2.574 N/A GLY 260.A N ALA 257.A O no hydrogen 2.867 N/A ALA 261.A N THR 259.A OG1 no hydrogen 3.164 N/A LEU 263.A N CYS 25.A O no hydrogen 3.032 N/A TYR 265.A N ILE 27.A O no hydrogen 2.759 N/A LYS 266.A N VAL 320.A O no hydrogen 2.995 N/A LYS 266.A NZ ILE 267.A O no hydrogen 3.158 N/A LYS 266.A NZ ASP 310.A OD1 no hydrogen 2.630 N/A ILE 267.A N VAL 29.A O no hydrogen 2.810 N/A ASP 268.A N ILE 322.A O no hydrogen 2.735 N/A ALA 273.A N ASP 270.A OD1 no hydrogen 3.056 N/A THR 274.A N ASP 270.A O no hydrogen 2.899 N/A THR 274.A OG1 ASP 270.A O no hydrogen 2.857 N/A GLU 275.A N TYR 271.A O no hydrogen 2.737 N/A GLU 276.A N GLU 272.A O no hydrogen 3.019 N/A ARG 277.A N ALA 273.A O no hydrogen 3.082 N/A ARG 277.A NH1 GLY 33.A O no hydrogen 3.456 N/A VAL 278.A N THR 274.A O no hydrogen 2.870 N/A ALA 279.A N GLU 275.A O no hydrogen 2.843 N/A LYS 280.A N GLU 276.A O no hydrogen 2.853 N/A ARG 281.A N ARG 277.A O no hydrogen 3.089 N/A HIS 282.A N VAL 278.A O no hydrogen 3.110 N/A LEU 283.A N ALA 279.A O no hydrogen 3.071 N/A GLN 284.A N LYS 280.A O no hydrogen 2.884 N/A SER 285.A N ARG 281.A O no hydrogen 2.953 N/A SER 285.A OG ARG 281.A O no hydrogen 2.686 N/A GLY 286.A N LEU 283.A O no hydrogen 3.088 N/A THR 289.A N GLU 293.A OE1 no hydrogen 2.973 N/A THR 289.A OG1 GLU 293.A OE1 no hydrogen 2.996 N/A THR 289.A OG1 GLU 293.A OE2 no hydrogen 2.806 N/A GLU 293.A N THR 290.A OG1 no hydrogen 3.285 N/A GLY 294.A N THR 290.A O no hydrogen 3.214 N/A ARG 295.A N ILE 291.A O no hydrogen 2.876 N/A ARG 295.A NH1 GLU 275.A OE1 no hydrogen 2.846 N/A GLU 296.A N ALA 292.A O no hydrogen 3.085 N/A LYS 297.A N GLU 293.A O no hydrogen 2.989 N/A PHE 298.A N GLY 294.A O no hydrogen 3.124 N/A ARG 299.A N ARG 295.A O no hydrogen 2.924 N/A SER 300.A N GLU 296.A O no hydrogen 2.951 N/A SER 300.A OG GLU 296.A O no hydrogen 2.981 N/A ASN 301.A N LYS 297.A O no hydrogen 3.095 N/A LEU 303.A N ASN 301.A OD1 no hydrogen 2.869 N/A LEU 304.A N ASN 301.A O no hydrogen 2.802 N/A ASN 305.A N ASN 301.A O no hydrogen 3.059 N/A ASN 305.A ND2 PHE 298.A O no hydrogen 3.081 N/A ASN 305.A ND2 ARG 299.A O no hydrogen 3.214 N/A ASN 305.A ND2 ASP 302.A OD1 no hydrogen 3.204 N/A ARG 307.A N ASN 305.A OD1 no hydrogen 2.967 N/A ASP 308.A N ASP 302.A O no hydrogen 3.021 N/A ASP 310.A N GLY 306.A O no hydrogen 3.034 N/A ASN 311.A N ARG 307.A O no hydrogen 2.889 N/A HIS 312.A N ASP 308.A O no hydrogen 2.985 N/A HIS 312.A ND1 ASP 245.A OD1 no hydrogen 2.787 N/A ILE 314.A N LEU 243.A O no hydrogen 2.935 N/A VAL 320.A N VAL 264.A O no hydrogen 2.951 N/A ILE 322.A N LYS 266.A O no hydrogen 2.828 N/A ARG 323.A NE ASP 325.A OD2 no hydrogen 3.109 N/A ARG 323.A NH2 ASP 325.A OD1 no hydrogen 2.861 N/A ARG 323.A NH2 ASP 325.A OD2 no hydrogen 3.520 N/A ASN 324.A ND2 SER 34.A O no hydrogen 2.890 N/A