Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a3p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 ASP 235.A O no hydrogen 3.016 N/A GLN 4.A N ASP 87.A O no hydrogen 3.129 N/A GLN 4.A NE2 ASN 85.A OD1 no hydrogen 3.033 N/A THR 5.A N GLY 89.A O no hydrogen 2.925 N/A TRP 8.A NE1 VAL 226.A O no hydrogen 3.225 N/A GLU 11.A N PRO 7.A O no hydrogen 3.430 N/A ARG 12.A N TRP 8.A O no hydrogen 2.879 N/A ARG 12.A NE ASP 209.A OD1 no hydrogen 2.905 N/A ARG 12.A NH1 ARG 12.A O no hydrogen 2.890 N/A ARG 12.A NH2 ASP 209.A OD2 no hydrogen 3.100 N/A ARG 12.A NH2 ASP 291.A OD2 no hydrogen 2.874 N/A VAL 13.A N GLY 9.A O no hydrogen 3.094 N/A LYS 14.A N GLU 11.A O no hydrogen 2.997 N/A ALA 15.A N ILE 10.A O no hydrogen 3.413 N/A VAL 18.A N ALA 15.A O no hydrogen 2.851 N/A TRP 19.A N PRO 16.A O no hydrogen 3.189 N/A TRP 19.A NE1 VAL 93.A O no hydrogen 2.891 N/A ILE 21.A N VAL 18.A O no hydrogen 2.700 N/A THR 22.A N VAL 18.A O no hydrogen 3.049 N/A GLY 24.A N THR 22.A OG1 no hydrogen 2.910 N/A SER 25.A N ASP 23.A OD1 no hydrogen 2.959 N/A SER 25.A OG ASP 23.A OD1 no hydrogen 2.614 N/A ILE 29.A N VAL 26.A O no hydrogen 2.894 N/A GLN 30.A N GLU 149.A OE2 no hydrogen 2.949 N/A GLN 30.A NE2 GLN 98.A OE1 no hydrogen 3.564 N/A VAL 31.A N GLN 98.A O no hydrogen 2.926 N/A ALA 32.A N VAL 150.A O no hydrogen 2.746 N/A VAL 33.A N TYR 100.A O no hydrogen 2.839 N/A LEU 34.A N SER 152.A O no hydrogen 3.027 N/A ASP 35.A N VAL 102.A O no hydrogen 2.973 N/A THR 36.A N ASP 35.A OD1 no hydrogen 2.744 N/A THR 36.A OG1 ASP 69.A OD2 no hydrogen 2.573 N/A VAL 38.A N CYS 67.A O no hydrogen 3.346 N/A ASP 39.A N THR 75.A OG1 no hydrogen 2.982 N/A HIS 42.A N ASP 39.A O no hydrogen 2.975 N/A HIS 42.A NE2 TYR 237.A OH no hydrogen 3.364 N/A LEU 45.A N HIS 42.A O no hydrogen 2.915 N/A ALA 46.A N HIS 42.A O no hydrogen 2.818 N/A ASN 48.A N LEU 45.A O no hydrogen 2.907 N/A ASN 48.A ND2 ALA 82.A O no hydrogen 2.631 N/A ASN 48.A ND2 PRO 95.A O no hydrogen 2.888 N/A ILE 49.A N ALA 46.A O no hydrogen 3.092 N/A ALA 50.A N ILE 99.A O no hydrogen 2.828 N/A TRP 51.A N ILE 99.A O no hydrogen 3.373 N/A VAL 53.A N SER 101.A O no hydrogen 2.843 N/A SER 54.A N SER 61.A O no hydrogen 2.694 N/A SER 54.A OG ARG 103.A O no hydrogen 3.544 N/A THR 55.A N ARG 103.A O no hydrogen 2.939 N/A THR 55.A OG1 ARG 103.A O no hydrogen 3.545 N/A THR 55.A OG1 ASP 115.A O no hydrogen 2.651 N/A LEU 56.A N SER 54.A OG no hydrogen 3.389 N/A ARG 57.A N ASP 115.A OD2 no hydrogen 2.854 N/A GLY 58.A N THR 55.A O no hydrogen 3.153 N/A GLY 58.A N ASP 115.A OD1 no hydrogen 2.871 N/A LYS 59.A N LEU 56.A O no hydrogen 3.505 N/A LYS 59.A NZ ASP 66.A OD2 no hydrogen 3.565 N/A SER 61.A N SER 54.A O no hydrogen 2.908 N/A SER 61.A OG ASP 66.A OD2 no hydrogen 2.667 N/A LYS 63.A N SER 61.A OG no hydrogen 3.265 N/A ASP 66.A N LYS 63.A O no hydrogen 2.953 N/A CYS 67.A N LYS 63.A O no hydrogen 3.016 N/A CYS 67.A SG LYS 63.A O no hydrogen 3.882 N/A CYS 67.A SG LEU 64.A O no hydrogen 3.516 N/A ALA 68.A N LEU 64.A O no hydrogen 2.972 N/A ASP 69.A N VAL 38.A O no hydrogen 3.081 N/A ASN 71.A N ASP 69.A OD2 no hydrogen 2.879 N/A ASN 71.A ND2 ALA 107.A O no hydrogen 2.970 N/A GLY 72.A N ASP 69.A OD2 no hydrogen 2.858 N/A HIS 73.A N ASN 71.A OD1 no hydrogen 3.104 N/A HIS 73.A ND1 ASP 35.A OD1 no hydrogen 2.721 N/A GLY 74.A N THR 36.A OG1 no hydrogen 2.762 N/A THR 75.A N ASP 69.A OD1 no hydrogen 3.071 N/A THR 75.A OG1 ASP 69.A OD1 no hydrogen 2.662 N/A HIS 76.A N GLY 72.A O no hydrogen 3.024 N/A HIS 76.A NE2 GLU 238.A O no hydrogen 2.946 N/A VAL 77.A N HIS 73.A O no hydrogen 2.935 N/A ILE 78.A N GLY 74.A O no hydrogen 2.839 N/A GLY 79.A N THR 75.A O no hydrogen 3.063 N/A THR 80.A N HIS 76.A O no hydrogen 3.234 N/A THR 80.A N VAL 77.A O no hydrogen 3.228 N/A THR 80.A OG1 HIS 76.A O no hydrogen 3.443 N/A ILE 81.A N VAL 77.A O no hydrogen 3.364 N/A ALA 82.A N ILE 78.A O no hydrogen 2.880 N/A ALA 83.A N GLY 79.A O no hydrogen 3.089 N/A LEU 84.A N ASP 44.A O no hydrogen 2.940 N/A ASN 86.A N GLN 4.A OE1 no hydrogen 2.979 N/A ASN 86.A ND2 ASP 44.A OD1 no hydrogen 2.837 N/A ILE 88.A N ASN 86.A OD1 no hydrogen 3.067 N/A GLY 89.A N PRO 2.A O no hydrogen 2.907 N/A VAL 90.A N ASP 44.A OD2 no hydrogen 2.946 N/A GLY 92.A N ALA 83.A O no hydrogen 2.809 N/A VAL 93.A N THR 80.A O no hydrogen 2.859 N/A ALA 94.A N ILE 81.A O no hydrogen 2.839 N/A GLY 96.A N ASP 23.A O no hydrogen 2.796 N/A VAL 97.A N ALA 94.A O no hydrogen 3.063 N/A GLN 98.A NE2 SER 27.A O no hydrogen 2.892 N/A ILE 99.A N ASN 48.A O no hydrogen 2.693 N/A TYR 100.A N VAL 31.A O no hydrogen 2.915 N/A TYR 100.A OH ASP 146.A O no hydrogen 2.623 N/A SER 101.A N TRP 51.A O no hydrogen 2.787 N/A VAL 102.A N VAL 33.A O no hydrogen 2.876 N/A ARG 103.A N VAL 53.A O no hydrogen 2.779 N/A ARG 103.A NE ASP 66.A O no hydrogen 3.019 N/A ARG 103.A NH2 ASP 66.A O no hydrogen 2.885 N/A VAL 104.A N ASP 35.A O no hydrogen 2.892 N/A LEU 105.A N ASP 35.A O no hydrogen 3.026 N/A ASP 106.A N SER 110.A O no hydrogen 2.846 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.918 N/A GLY 109.A N ASP 106.A O no hydrogen 2.839 N/A SER 110.A N ASP 106.A OD1 no hydrogen 3.183 N/A SER 112.A OG SER 114.A OG no hydrogen 3.026 N/A TYR 113.A OH ALA 159.A O no hydrogen 2.581 N/A SER 114.A OG SER 112.A OG no hydrogen 3.026 N/A ASP 115.A N SER 112.A OG no hydrogen 3.220 N/A ILE 116.A N SER 112.A O no hydrogen 3.095 N/A ALA 117.A N TYR 113.A O no hydrogen 2.884 N/A ILE 118.A N SER 114.A O no hydrogen 3.102 N/A GLY 119.A N ASP 115.A O no hydrogen 2.898 N/A ILE 120.A N ILE 116.A O no hydrogen 2.851 N/A ALA 121.A N ALA 117.A O no hydrogen 3.122 N/A GLN 122.A N ILE 118.A O no hydrogen 3.061 N/A ALA 123.A N GLY 119.A O no hydrogen 3.273 N/A ILE 124.A N ILE 120.A O no hydrogen 3.266 N/A LEU 125.A N ALA 121.A O no hydrogen 2.787 N/A GLY 126.A N GLN 122.A O no hydrogen 2.674 N/A ASP 128.A N ASP 146.A OD1 no hydrogen 2.854 N/A GLY 129.A N GLY 126.A O no hydrogen 3.028 N/A VAL 130.A N ASP 128.A OD1 no hydrogen 3.143 N/A LYS 133.A N ASP 145.A OD1 no hydrogen 2.669 N/A GLY 135.A N ASP 132.A O no hydrogen 3.150 N/A ASP 136.A N ASP 132.A OD1 no hydrogen 3.323 N/A GLY 137.A N ASP 132.A OD2 no hydrogen 2.683 N/A ILE 138.A N ASP 136.A OD1 no hydrogen 3.021 N/A ALA 140.A N ALA 174.A O no hydrogen 2.884 N/A GLY 141.A N GLU 149.A OE1 no hydrogen 2.805 N/A ASP 142.A N ILE 139.A O no hydrogen 3.193 N/A ASP 144.A N ASP 142.A OD2 no hydrogen 2.786 N/A ASP 145.A N ASP 142.A O no hydrogen 2.993 N/A ALA 148.A N ALA 123.A O no hydrogen 3.011 N/A GLU 149.A N GLN 30.A O no hydrogen 2.960 N/A ILE 151.A N VAL 177.A O no hydrogen 2.797 N/A SER 152.A N ALA 32.A O no hydrogen 2.714 N/A SER 152.A OG SER 251.A OG no hydrogen 2.563 N/A MET 153.A N VAL 179.A O no hydrogen 2.791 N/A SER 154.A OG ALA 244.A O no hydrogen 2.621 N/A GLY 157.A N TYR 192.A O no hydrogen 2.842 N/A TYR 165.A N ASP 161.A O no hydrogen 2.960 N/A TYR 165.A OH GLU 198.A OE1 no hydrogen 2.556 N/A TYR 165.A OH GLU 198.A OE2 no hydrogen 3.250 N/A ASP 166.A N SER 162.A O no hydrogen 2.893 N/A MET 167.A N TYR 163.A O no hydrogen 3.128 N/A ILE 168.A N LEU 164.A O no hydrogen 2.949 N/A ILE 169.A N TYR 165.A O no hydrogen 2.887 N/A GLN 170.A N ASP 166.A O no hydrogen 3.003 N/A ALA 171.A N MET 167.A O no hydrogen 3.076 N/A TYR 172.A N ILE 168.A O no hydrogen 2.829 N/A TYR 172.A OH GLY 272.A O no hydrogen 2.769 N/A ASN 173.A N ILE 169.A O no hydrogen 2.949 N/A ASN 173.A ND2 ILE 169.A O no hydrogen 3.021 N/A ALA 174.A N GLN 170.A O no hydrogen 2.990 N/A ALA 174.A N ALA 171.A O no hydrogen 2.995 N/A GLY 175.A N TYR 172.A O no hydrogen 2.986 N/A ILE 176.A N ALA 171.A O no hydrogen 3.151 N/A VAL 177.A N GLU 149.A O no hydrogen 3.033 N/A VAL 179.A N ILE 151.A O no hydrogen 2.835 N/A ALA 180.A N ILE 200.A O no hydrogen 2.851 N/A ALA 181.A N MET 153.A O no hydrogen 3.022 N/A SER 182.A N VAL 202.A O no hydrogen 2.960 N/A SER 182.A OG ASN 216.A O no hydrogen 2.945 N/A GLY 183.A N THR 243.A OG1 no hydrogen 3.124 N/A ASN 184.A N GLU 185.A OE2 no hydrogen 2.996 N/A GLY 186.A N PHE 214.A O no hydrogen 2.881 N/A SER 191.A N SER 182.A O no hydrogen 2.821 N/A SER 191.A OG ASN 216.A OD1 no hydrogen 3.522 N/A TYR 192.A N GLY 157.A O no hydrogen 2.983 N/A ALA 195.A N SER 191.A O no hydrogen 2.824 N/A TYR 196.A N PRO 193.A O no hydrogen 3.064 N/A TYR 196.A OH ASP 160.A OD2 no hydrogen 2.513 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.810 N/A VAL 199.A N TYR 196.A O no hydrogen 3.097 N/A ILE 200.A N ILE 178.A O no hydrogen 2.835 N/A VAL 202.A N ALA 180.A O no hydrogen 2.958 N/A GLY 203.A N VAL 221.A O no hydrogen 2.948 N/A ALA 204.A N SER 215.A OG no hydrogen 2.932 N/A ILE 205.A N ALA 223.A O no hydrogen 2.904 N/A ASP 206.A N ASN 210.A O no hydrogen 2.801 N/A ASN 208.A N ASP 206.A OD2 no hydrogen 2.842 N/A ASP 209.A N ASP 206.A O no hydrogen 2.977 N/A ASN 210.A N ASP 206.A OD2 no hydrogen 3.011 N/A ALA 212.A N ALA 204.A O no hydrogen 2.815 N/A SER 215.A N ALA 212.A O no hydrogen 3.066 N/A ASN 216.A N GLY 183.A O no hydrogen 2.944 N/A ARG 217.A N ALA 187.A O no hydrogen 2.897 N/A ARG 217.A NH1 ALA 212.A O no hydrogen 3.198 N/A ARG 217.A NH1 SER 215.A O no hydrogen 2.643 N/A GLN 218.A N ALA 300.A O no hydrogen 2.627 N/A GLN 218.A NE2 PRO 188.A O no hydrogen 2.945 N/A GLU 220.A N ALA 201.A O no hydrogen 2.717 N/A VAL 221.A N ALA 201.A O no hydrogen 3.308 N/A SER 222.A N GLY 305.A O no hydrogen 2.883 N/A SER 222.A OG TYR 302.A O no hydrogen 2.802 N/A ALA 223.A N GLY 203.A O no hydrogen 2.895 N/A GLY 225.A N ILE 205.A O no hydrogen 2.971 N/A ILE 228.A N LEU 240.A O no hydrogen 2.875 N/A SER 230.A N GLU 238.A O no hydrogen 3.036 N/A SER 230.A OG HIS 76.A O no hydrogen 2.602 N/A THR 231.A OG1 THR 75.A O no hydrogen 2.789 N/A TYR 232.A N SER 236.A O no hydrogen 2.872 N/A ASP 235.A N ASP 39.A OD1 no hydrogen 2.669 N/A SER 236.A N TYR 232.A O no hydrogen 2.711 N/A TYR 237.A OH GLN 1.A OE1 no hydrogen 2.528 N/A GLU 238.A N SER 230.A O no hydrogen 2.989 N/A THR 239.A N GLU 238.A OE2 no hydrogen 2.801 N/A LEU 240.A N ILE 228.A O no hydrogen 2.980 N/A GLY 242.A N GLY 225.A O no hydrogen 2.725 N/A THR 243.A N ASN 184.A OD1 no hydrogen 2.885 N/A THR 243.A OG1 ASN 184.A OD1 no hydrogen 2.747 N/A MET 245.A N GLY 242.A O no hydrogen 3.134 N/A THR 247.A N THR 243.A O no hydrogen 3.106 N/A THR 247.A OG1 THR 243.A O no hydrogen 2.733 N/A HIS 249.A ND1 MET 245.A O no hydrogen 2.789 N/A VAL 250.A N ALA 246.A O no hydrogen 3.457 N/A SER 251.A N THR 247.A O no hydrogen 2.958 N/A SER 251.A OG SER 152.A OG no hydrogen 2.563 N/A SER 251.A OG THR 247.A O no hydrogen 3.433 N/A GLY 252.A N PRO 248.A O no hydrogen 2.882 N/A VAL 253.A N HIS 249.A O no hydrogen 3.075 N/A VAL 254.A N VAL 250.A O no hydrogen 2.976 N/A ALA 255.A N SER 251.A O no hydrogen 2.980 N/A LEU 256.A N GLY 252.A O no hydrogen 3.036 N/A ILE 257.A N VAL 253.A O no hydrogen 2.914 N/A GLN 258.A N VAL 254.A O no hydrogen 2.908 N/A ALA 259.A N ALA 255.A O no hydrogen 2.837 N/A ALA 260.A N LEU 256.A O no hydrogen 2.931 N/A TYR 261.A N ILE 257.A O no hydrogen 2.941 N/A TYR 262.A N GLN 258.A O no hydrogen 2.920 N/A GLN 263.A N ALA 259.A O no hydrogen 2.794 N/A GLN 263.A NE2 ILE 21.A O no hydrogen 3.047 N/A LYS 264.A N ALA 260.A O no hydrogen 3.010 N/A LYS 264.A NZ TYR 265.A OH no hydrogen 2.977 N/A LYS 264.A NZ LEU 317.A O no hydrogen 2.865 N/A TYR 265.A N TYR 261.A O no hydrogen 2.740 N/A TYR 265.A OH LEU 317.A O no hydrogen 3.352 N/A GLY 266.A N TYR 262.A O no hydrogen 2.746 N/A ASP 276.A N THR 273.A O no hydrogen 3.236 N/A SER 278.A N ASP 276.A OD2 no hydrogen 2.803 N/A SER 278.A OG ASP 276.A OD1 no hydrogen 3.477 N/A SER 278.A OG ASP 276.A OD2 no hydrogen 2.682 N/A ASN 280.A N SER 278.A OG no hydrogen 3.043 N/A VAL 282.A N PRO 270.A O no hydrogen 2.846 N/A ARG 283.A N VAL 271.A O no hydrogen 2.949 N/A ARG 283.A NE GLU 220.A OE2 no hydrogen 2.983 N/A ARG 283.A NH1 PRO 197.A O no hydrogen 2.909 N/A ARG 283.A NH1 GLY 272.A O no hydrogen 3.063 N/A ARG 283.A NH2 PRO 197.A O no hydrogen 2.800 N/A ARG 283.A NH2 GLU 220.A OE1 no hydrogen 2.831 N/A ILE 285.A N THR 281.A O no hydrogen 2.942 N/A LEU 286.A N VAL 282.A O no hydrogen 2.985 N/A HIS 287.A N ARG 283.A O no hydrogen 2.884 N/A ILE 288.A N GLY 284.A O no hydrogen 3.014 N/A THR 289.A N ILE 285.A O no hydrogen 3.030 N/A THR 289.A OG1 ILE 285.A O no hydrogen 2.708 N/A ASP 291.A N VAL 306.A O no hydrogen 2.787 N/A GLY 297.A N ASP 292.A OD2 no hydrogen 2.819 N/A TRP 298.A NE1 PRO 219.A O no hydrogen 2.975 N/A ASP 299.A N GLY 303.A O no hydrogen 3.026 N/A ASP 301.A N ASP 299.A OD2 no hydrogen 3.015 N/A TYR 302.A N ASP 299.A OD2 no hydrogen 2.910 N/A TYR 302.A OH ASP 209.A O no hydrogen 2.726 N/A GLY 303.A N ASP 299.A O no hydrogen 2.950 N/A TYR 304.A N GLU 220.A O no hydrogen 2.827 N/A TYR 304.A OH PHE 274.A O no hydrogen 2.649 N/A VAL 306.A N ASP 291.A O no hydrogen 2.980 N/A VAL 307.A N SER 222.A O no hydrogen 3.328 N/A ARG 308.A NH1 THR 289.A O no hydrogen 3.122 N/A ALA 309.A N VAL 13.A O no hydrogen 2.751 N/A ALA 310.A N LYS 14.A O no hydrogen 2.933 N/A ALA 312.A N ARG 308.A O no hydrogen 2.990 N/A VAL 313.A N ALA 309.A O no hydrogen 2.845 N/A GLN 314.A N ALA 310.A O no hydrogen 3.168 N/A ALA 315.A N LEU 311.A O no hydrogen 2.825 N/A ALA 316.A N ALA 312.A O no hydrogen 2.871 N/A LEU 317.A N VAL 313.A O no hydrogen 2.939 N/A GLY 318.A N GLN 314.A O no hydrogen 2.894 N/A