Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a3v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N VAL 23.A O no hydrogen 2.717 N/A HIS 4.A N GLU 104.A OE1 no hydrogen 2.937 N/A ALA 5.A N VAL 21.A O no hydrogen 2.933 N/A LEU 6.A N LEU 102.A O no hydrogen 3.015 N/A GLN 7.A N GLU 19.A O no hydrogen 2.957 N/A TYR 8.A N CYS 64.A O no hydrogen 2.988 N/A ASN 9.A ND2 GLU 19.A OE1 no hydrogen 3.109 N/A TYR 11.A OH LEU 58.A O no hydrogen 2.622 N/A GLY 12.A N GLN 50.A O no hydrogen 2.812 N/A GLY 17.A N GLY 13.A O no hydrogen 3.151 N/A GLY 17.A N GLY 14.A O no hydrogen 3.156 N/A LEU 18.A N ALA 15.A O no hydrogen 2.913 N/A GLU 19.A N GLN 7.A O no hydrogen 2.783 N/A HIS 20.A NE2 GLU 307.A OE1 no hydrogen 2.920 N/A VAL 21.A N ALA 5.A O no hydrogen 2.782 N/A VAL 23.A N MET 3.A O no hydrogen 2.896 N/A VAL 25.A N LYS 1.A O no hydrogen 3.389 N/A LYS 29.A N GLU 32.A OE1 no hydrogen 2.714 N/A GLU 32.A N LYS 29.A O no hydrogen 2.986 N/A VAL 33.A N ALA 108.A O no hydrogen 2.797 N/A CYS 34.A N GLU 76.A O no hydrogen 2.772 N/A CYS 34.A SG PRO 26.A O no hydrogen 3.796 N/A LEU 35.A N ALA 106.A O no hydrogen 2.671 N/A LYS 36.A N GLU 73.A O no hydrogen 2.810 N/A LEU 37.A N GLU 104.A O no hydrogen 2.875 N/A GLU 38.A N ALA 71.A O no hydrogen 2.789 N/A ALA 39.A N ALA 71.A O no hydrogen 3.065 N/A THR 40.A N VAL 324.A O no hydrogen 2.926 N/A THR 40.A OG1 GLY 101.A O no hydrogen 2.731 N/A THR 40.A OG1 PRO 326.A O no hydrogen 2.934 N/A SER 41.A N ASP 69.A O no hydrogen 2.808 N/A SER 41.A OG ALA 126.A O no hydrogen 2.957 N/A LEU 42.A N ILE 322.A O no hydrogen 3.133 N/A ASN 43.A N ASP 46.A OD2 no hydrogen 2.941 N/A ASN 43.A ND2 ASP 69.A OD2 no hydrogen 3.231 N/A ASP 46.A N ASN 43.A O no hydrogen 2.820 N/A LYS 48.A N PRO 44.A O no hydrogen 3.023 N/A ILE 49.A N VAL 45.A O no hydrogen 2.913 N/A GLN 50.A NE2 GLY 14.A O no hydrogen 2.828 N/A LYS 51.A N TRP 47.A O no hydrogen 2.896 N/A GLY 52.A N LYS 48.A O no hydrogen 3.050 N/A GLY 52.A N ILE 49.A O no hydrogen 2.987 N/A MET 53.A N LYS 48.A O no hydrogen 3.002 N/A ARG 55.A N.A GLY 52.A O no hydrogen 3.081 N/A ARG 55.A N.B GLY 52.A O no hydrogen 3.073 N/A ARG 55.A NE.B GLY 52.A O no hydrogen 3.174 N/A LEU 58.A N ILE 54.A O no hydrogen 3.021 N/A CYS 64.A N TYR 8.A O no hydrogen 2.977 N/A CYS 64.A SG TYR 8.A OH no hydrogen 3.583 N/A THR 68.A OG1 ASP 69.A OD1 no hydrogen 3.146 N/A VAL 70.A N ALA 92.A O no hydrogen 3.161 N/A ALA 71.A N ALA 39.A O no hydrogen 2.758 N/A GLY 72.A N VAL 90.A O no hydrogen 2.954 N/A GLU 73.A N LYS 36.A O no hydrogen 2.927 N/A VAL 74.A N ASP 88.A O no hydrogen 2.789 N/A VAL 75.A N CYS 34.A O no hydrogen 2.966 N/A GLY 78.A N GLU 32.A O no hydrogen 2.780 N/A GLY 80.A N SER 30.A O no hydrogen 2.777 N/A VAL 81.A N GLY 78.A O no hydrogen 3.104 N/A LYS 82.A N GLU 110.A OE2 no hydrogen 3.262 N/A ASN 83.A N GLU 110.A OE2 no hydrogen 3.013 N/A LYS 85.A N ASP 88.A OD2 no hydrogen 2.835 N/A LYS 85.A NZ ASP 88.A OD1 no hydrogen 3.133 N/A GLY 87.A N VAL 74.A O no hydrogen 2.731 N/A ASP 88.A N LYS 85.A O no hydrogen 3.107 N/A LYS 89.A NZ GLU 38.A OE2 no hydrogen 2.516 N/A LYS 89.A NZ GLU 73.A OE1 no hydrogen 2.938 N/A VAL 90.A N GLY 72.A O no hydrogen 2.758 N/A VAL 91.A N VAL 114.A O no hydrogen 2.880 N/A ALA 92.A N VAL 70.A O no hydrogen 2.871 N/A VAL 93.A N LEU 112.A O no hydrogen 3.023 N/A LEU 94.A N THR 68.A O no hydrogen 2.778 N/A GLY 98.A N SER 95.A O no hydrogen 2.961 N/A GLY 100.A N ILE 65.A O no hydrogen 2.640 N/A GLY 101.A N ALA 67.A O no hydrogen 2.934 N/A LEU 102.A N PRO 66.A O no hydrogen 3.040 N/A GLU 104.A N HIS 4.A O no hydrogen 3.236 N/A ALA 106.A N LEU 35.A O no hydrogen 3.103 N/A ALA 108.A N VAL 33.A O no hydrogen 2.898 N/A GLU 110.A N ASN 31.A O no hydrogen 2.936 N/A LEU 112.A N THR 109.A O no hydrogen 3.008 N/A THR 113.A N GLU 110.A O no hydrogen 3.344 N/A THR 113.A OG1 THR 109.A O no hydrogen 2.846 N/A VAL 114.A N VAL 91.A O no hydrogen 2.867 N/A ARG 116.A N LYS 89.A O no hydrogen 2.868 N/A ARG 116.A NE VAL 120.A O no hydrogen 3.243 N/A ARG 116.A NH1 GLU 38.A OE1 no hydrogen 2.941 N/A ARG 116.A NH1 GLY 72.A O no hydrogen 3.453 N/A ARG 116.A NH1 VAL 90.A O no hydrogen 3.259 N/A ARG 116.A NH2 GLU 38.A OE1 no hydrogen 2.759 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.536 N/A VAL 120.A N PRO 117.A O no hydrogen 2.933 N/A GLY 121.A N GLU 124.A OE2.B no hydrogen 2.747 N/A ALA 125.A N GLY 121.A O no hydrogen 3.154 N/A ALA 125.A N ALA 122.A O no hydrogen 3.256 N/A ALA 126.A N ALA 122.A O no hydrogen 2.849 N/A ALA 127.A N ALA 123.A O no hydrogen 3.231 N/A LEU 128.A N ALA 125.A O no hydrogen 2.870 N/A VAL 130.A N ASP 69.A OD2 no hydrogen 2.745 N/A GLY 132.A N LEU 128.A O no hydrogen 2.695 N/A LEU 133.A N PRO 129.A O no hydrogen 2.825 N/A THR 134.A N VAL 130.A O no hydrogen 2.940 N/A THR 134.A OG1 VAL 130.A O no hydrogen 2.528 N/A ALA 135.A N ALA 131.A O no hydrogen 3.066 N/A LEU 136.A N GLY 132.A O no hydrogen 2.818 N/A GLN 137.A N LEU 133.A O no hydrogen 2.811 N/A GLN 137.A NE2 LEU 273.A O no hydrogen 2.872 N/A ALA 138.A N THR 134.A O no hydrogen 2.852 N/A LEU 139.A N ALA 135.A O no hydrogen 3.134 N/A THR 140.A N LEU 136.A O no hydrogen 3.060 N/A THR 140.A OG1 LEU 136.A O no hydrogen 2.662 N/A ASN 141.A N GLN 137.A O no hydrogen 3.031 N/A ALA 143.A N ALA 138.A O no hydrogen 3.157 N/A GLY 144.A N ASN 141.A O no hydrogen 3.027 N/A LEU 145.A N LEU 139.A O no hydrogen 2.879 N/A THR 150.A N ASP 148.A OD1 no hydrogen 2.874 N/A THR 150.A OG1 ASP 148.A OD1 no hydrogen 3.036 N/A LYS 152.A NZ ALA 143.A O no hydrogen 3.431 N/A ASN 155.A N ASP 220.A OD2 no hydrogen 2.691 N/A ASN 155.A ND2 LYS 218.A O no hydrogen 3.017 N/A ILE 156.A N HIS 179.A O no hydrogen 2.785 N/A LEU 157.A N ALA 221.A O no hydrogen 3.036 N/A VAL 158.A N THR 181.A O no hydrogen 2.782 N/A THR 159.A N VAL 223.A O no hydrogen 3.137 N/A THR 159.A OG1 HIS 224.A ND1 no hydrogen 2.869 N/A ALA 160.A N THR 183.A OG1 no hydrogen 3.367 N/A ALA 161.A N THR 183.A O no hydrogen 3.004 N/A GLY 163.A N ALA 160.A O no hydrogen 3.375 N/A HIS 167.A N GLY 163.A O no hydrogen 2.880 N/A HIS 167.A ND1 GLY 164.A O no hydrogen 2.773 N/A TYR 168.A OH THR 295.A OG1 no hydrogen 2.805 N/A ALA 169.A N VAL 165.A O no hydrogen 2.819 N/A VAL 170.A N GLY 166.A O no hydrogen 3.030 N/A GLN 171.A NE2 HIS 167.A O no hydrogen 3.110 N/A GLN 171.A NE2 LYS 294.A O no hydrogen 2.756 N/A LEU 172.A N TYR 168.A O no hydrogen 2.753 N/A ALA 173.A N ALA 169.A O no hydrogen 2.858 N/A LYS 174.A N VAL 170.A O no hydrogen 3.168 N/A LYS 174.A NZ ALA 178.A O no hydrogen 3.042 N/A LYS 174.A NZ ASP 198.A OD1 no hydrogen 3.080 N/A LYS 174.A NZ ASP 198.A OD2 no hydrogen 2.685 N/A LEU 175.A N GLN 171.A O no hydrogen 3.235 N/A ALA 176.A N LEU 172.A O no hydrogen 3.149 N/A ALA 176.A N ALA 173.A O no hydrogen 3.150 N/A ASN 177.A N LYS 174.A O no hydrogen 3.073 N/A ALA 178.A N ALA 173.A O no hydrogen 3.104 N/A HIS 179.A N ALA 154.A O no hydrogen 2.878 N/A VAL 180.A N ASP 198.A OD2 no hydrogen 2.671 N/A THR 181.A N ILE 156.A O no hydrogen 2.810 N/A THR 181.A OG1 GLU 199.A OE1 no hydrogen 2.881 N/A ALA 182.A N GLU 199.A O no hydrogen 2.842 N/A THR 183.A N VAL 158.A O no hydrogen 2.989 N/A CYS 184.A N LEU 201.A O no hydrogen 3.046 N/A CYS 184.A SG GLY 185.A O no hydrogen 3.460 N/A ASN 188.A N GLY 185.A O no hydrogen 2.868 N/A ILE 189.A N ALA 186.A O no hydrogen 3.465 N/A VAL 192.A N ASN 188.A O no hydrogen 2.932 N/A LYS 193.A N ILE 189.A O no hydrogen 2.921 N/A LYS 193.A NZ.A ALA 197.A O no hydrogen 3.239 N/A LYS 193.A NZ.A ASP 198.A O no hydrogen 2.791 N/A SER 194.A N GLU 190.A O no hydrogen 2.982 N/A SER 194.A OG PHE 191.A O no hydrogen 2.463 N/A LEU 195.A N PHE 191.A O no hydrogen 3.152 N/A LEU 195.A N VAL 192.A O no hydrogen 2.933 N/A GLY 196.A N LYS 193.A O no hydrogen 2.936 N/A ASP 198.A N VAL 180.A O no hydrogen 2.838 N/A GLU 199.A N VAL 180.A O no hydrogen 3.105 N/A LEU 201.A N ALA 182.A O no hydrogen 2.659 N/A TYR 203.A N CYS 184.A O no hydrogen 3.041 N/A LYS 204.A N ASP 202.A OD1 no hydrogen 2.876 N/A THR 205.A N ASP 202.A O no hydrogen 2.983 N/A THR 205.A OG1 ASP 202.A O no hydrogen 2.879 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 3.088 N/A GLY 208.A N THR 205.A OG1 no hydrogen 3.229 N/A ALA 209.A N THR 205.A O no hydrogen 2.794 N/A ALA 210.A N PRO 206.A O no hydrogen 2.915 N/A LEU 211.A N GLY 208.A O no hydrogen 3.005 N/A LYS 212.A N GLU 207.A O no hydrogen 3.057 N/A SER 213.A OG GLU 199.A OE1 no hydrogen 2.832 N/A SER 213.A OG GLU 199.A OE2 no hydrogen 3.420 N/A SER 215.A N GLU 199.A OE2 no hydrogen 3.105 N/A SER 215.A OG GLU 199.A OE2 no hydrogen 2.473 N/A GLY 216.A N SER 213.A O no hydrogen 3.049 N/A LYS 217.A N SER 213.A OG no hydrogen 3.012 N/A LYS 217.A NZ SER 215.A OG no hydrogen 3.239 N/A TYR 219.A N ASN 237.A O no hydrogen 2.822 N/A TYR 219.A OH LEU 211.A O no hydrogen 2.837 N/A ASP 220.A N ASN 155.A O no hydrogen 2.819 N/A VAL 222.A N LYS 243.A O no hydrogen 2.871 N/A VAL 223.A N LEU 157.A O no hydrogen 2.728 N/A HIS 224.A N ILE 245.A O no hydrogen 2.907 N/A HIS 224.A ND1 THR 159.A OG1 no hydrogen 2.869 N/A CYS 225.A SG VAL 223.A O no hydrogen 3.911 N/A ALA 226.A N THR 159.A OG1 no hydrogen 3.247 N/A VAL 233.A N PRO 230.A O no hydrogen 3.025 N/A GLU 235.A N PHE 231.A O no hydrogen 2.936 N/A ASN 237.A N PHE 234.A O no hydrogen 2.770 N/A ASN 237.A ND2 ALA 210.A O no hydrogen 2.969 N/A ASN 237.A ND2 VAL 233.A O no hydrogen 3.146 N/A LEU 238.A N GLU 235.A O no hydrogen 3.149 N/A SER 239.A N TYR 219.A O no hydrogen 2.917 N/A SER 239.A OG TYR 219.A O no hydrogen 3.329 N/A SER 239.A OG ASP 220.A OD1 no hydrogen 2.914 N/A GLY 242.A N SER 239.A O no hydrogen 2.874 N/A LYS 243.A N ASP 220.A O no hydrogen 3.057 N/A LYS 243.A NZ PRO 142.A O no hydrogen 2.667 N/A VAL 244.A N GLN 268.A O no hydrogen 2.829 N/A ILE 245.A N VAL 222.A O no hydrogen 2.752 N/A ASP 246.A N VAL 270.A O no hydrogen 2.680 N/A ILE 247.A N HIS 224.A O no hydrogen 3.104 N/A MET 254.A N GLY 250.A O no hydrogen 3.135 N/A TRP 255.A N PRO 251.A O no hydrogen 3.166 N/A THR 256.A N ASN 252.A O no hydrogen 2.898 N/A THR 256.A OG1 ASN 252.A O no hydrogen 3.166 N/A TYR 257.A N ALA 253.A O no hydrogen 2.892 N/A ALA 258.A N MET 254.A O no hydrogen 3.260 N/A VAL 259.A N TRP 255.A O no hydrogen 3.050 N/A LYS 260.A N THR 256.A O no hydrogen 3.062 N/A LYS 261.A N TYR 257.A O no hydrogen 3.036 N/A ILE 262.A N ALA 258.A O no hydrogen 2.868 N/A THR 263.A N VAL 259.A O no hydrogen 2.753 N/A THR 263.A OG1 VAL 259.A O no hydrogen 3.161 N/A THR 263.A OG1 LYS 260.A O no hydrogen 3.249 N/A MET 264.A N LYS 261.A O no hydrogen 3.137 N/A SER 265.A N LYS 260.A O no hydrogen 3.226 N/A SER 265.A OG LYS 267.A O no hydrogen 2.713 N/A LYS 266.A NZ GLU 240.A OE2 no hydrogen 2.879 N/A LYS 267.A NZ GLU 235.A O no hydrogen 2.863 N/A GLN 268.A N GLY 242.A O no hydrogen 3.029 N/A VAL 270.A N VAL 244.A O no hydrogen 2.723 N/A LEU 272.A N ASP 246.A O no hydrogen 3.023 N/A ILE 275.A N GLN 137.A OE1 no hydrogen 3.027 N/A ASN 280.A N LYS 277.A O no hydrogen 3.091 N/A LEU 281.A N LYS 277.A O no hydrogen 3.143 N/A GLU 282.A N ALA 278.A O no hydrogen 2.859 N/A PHE 283.A N GLU 279.A O no hydrogen 3.022 N/A MET 284.A N ASN 280.A O no hydrogen 2.964 N/A VAL 285.A N LEU 281.A O no hydrogen 2.706 N/A ASN 286.A N GLU 282.A O no hydrogen 2.843 N/A ASN 286.A ND2 GLU 290.A OE2 no hydrogen 2.926 N/A LEU 287.A N PHE 283.A O no hydrogen 3.028 N/A VAL 288.A N MET 284.A O no hydrogen 2.983 N/A LYS 289.A N VAL 285.A O no hydrogen 2.889 N/A GLU 290.A N ASN 286.A O no hydrogen 2.880 N/A GLY 291.A N VAL 288.A O no hydrogen 3.027 N/A LYS 292.A N LEU 287.A O no hydrogen 2.926 N/A LYS 292.A NZ.B GLU 290.A OE1 no hydrogen 3.032 N/A VAL 293.A N LEU 287.A O no hydrogen 3.274 N/A LYS 294.A N GLN 171.A OE1 no hydrogen 2.645 N/A LYS 294.A NZ.A GLY 291.A O no hydrogen 2.915 N/A THR 295.A OG1 GLU 124.A O no hydrogen 3.055 N/A THR 295.A OG1 TYR 168.A OH no hydrogen 2.805 N/A VAL 296.A N HIS 167.A NE2 no hydrogen 3.101 N/A ASP 298.A N LYS 321.A O no hydrogen 2.730 N/A SER 299.A OG ASP 298.A OD2 no hydrogen 2.833 N/A SER 299.A OG HIS 301.A NE2 no hydrogen 2.850 N/A HIS 301.A N ILE 323.A O no hydrogen 2.806 N/A HIS 301.A NE2 SER 299.A OG no hydrogen 2.850 N/A LEU 303.A N GLU 325.A O no hydrogen 2.869 N/A LYS 305.A N PRO 302.A O no hydrogen 2.902 N/A ALA 306.A N LEU 303.A O no hydrogen 3.023 N/A GLU 307.A N GLU 307.A OE1 no hydrogen 2.665 N/A ASP 308.A N LYS 305.A O no hydrogen 2.875 N/A TRP 310.A N ALA 306.A O no hydrogen 2.987 N/A TRP 310.A NE1 GLN 50.A OE1 no hydrogen 2.768 N/A ALA 311.A N GLU 307.A O no hydrogen 2.858 N/A LYS 312.A N ASP 308.A O no hydrogen 2.931 N/A LYS 312.A NZ ASP 298.A OD2 no hydrogen 2.928 N/A SER 313.A N ALA 309.A O no hydrogen 2.784 N/A ILE 314.A N TRP 310.A O no hydrogen 2.886 N/A ASP 315.A N ALA 311.A O no hydrogen 2.992 N/A GLY 316.A N SER 313.A O no hydrogen 2.990 N/A HIS 317.A ND1 ASP 315.A OD2 no hydrogen 3.053 N/A THR 319.A N ASP 298.A OD1 no hydrogen 2.810 N/A THR 319.A OG1 ASP 298.A OD1 no hydrogen 3.377 N/A GLY 320.A N SER 162.A O no hydrogen 2.830 N/A LYS 321.A N VAL 296.A O no hydrogen 2.862 N/A LYS 321.A NZ LEU 42.A O no hydrogen 2.948 N/A ILE 323.A N SER 299.A O no hydrogen 2.950 N/A VAL 324.A N THR 40.A O no hydrogen 2.809 N/A GLU 325.A N HIS 301.A O no hydrogen 2.727 N/A