Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qiw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLY 1.A O no hydrogen 3.042 N/A SER 6.A N SER 2.A O no hydrogen 2.957 N/A LEU 7.A N ASP 3.A O no hydrogen 2.893 N/A ALA 8.A N LEU 4.A O no hydrogen 2.875 N/A THR 9.A N LYS 5.A O no hydrogen 2.898 N/A THR 9.A OG1 LYS 5.A O no hydrogen 2.963 N/A THR 9.A OG1 ASP 143.A OD2 no hydrogen 2.831 N/A LYS 10.A N SER 6.A O no hydrogen 3.031 N/A LYS 10.A NZ ASP 14.A OD1 no hydrogen 3.430 N/A LYS 10.A NZ ASP 14.A OD2 no hydrogen 2.692 N/A PHE 11.A N LEU 7.A O no hydrogen 2.987 N/A ALA 12.A N ALA 8.A O no hydrogen 2.798 N/A SER 13.A N THR 9.A O no hydrogen 2.843 N/A SER 13.A OG.B THR 9.A O no hydrogen 3.017 N/A SER 13.A OG.B LYS 10.A O no hydrogen 3.011 N/A ASP 14.A N LYS 10.A O no hydrogen 2.879 N/A HIS 15.A N PHE 11.A O no hydrogen 3.065 N/A HIS 15.A ND1 PHE 11.A O no hydrogen 2.855 N/A GLU 16.A N ALA 12.A O no hydrogen 3.023 N/A SER 17.A N ASP 14.A O no hydrogen 3.392 N/A SER 17.A OG ASP 14.A O no hydrogen 2.712 N/A LYS 19.A N SER 17.A OG no hydrogen 2.993 N/A LYS 19.A NZ ASP 14.A OD1 no hydrogen 2.784 N/A LEU 21.A N ARG 226.A O no hydrogen 2.926 N/A LEU 23.A N VAL 228.A O no hydrogen 2.863 N/A THR 25.A OG1 THR 44.A OG1 no hydrogen 2.711 N/A VAL 26.A N THR 44.A O no hydrogen 2.788 N/A TRP 27.A N SER 31.A OG no hydrogen 3.052 N/A ASP 28.A N SER 31.A OG no hydrogen 3.112 N/A SER 31.A N ASP 28.A OD1 no hydrogen 2.810 N/A SER 31.A OG ASP 28.A O no hydrogen 3.200 N/A SER 31.A OG ASP 28.A OD1 no hydrogen 2.729 N/A ALA 32.A N ASP 28.A O no hydrogen 3.081 N/A GLY 33.A N THR 29.A O no hydrogen 2.971 N/A LEU 34.A N TRP 30.A O no hydrogen 3.131 N/A VAL 35.A N SER 31.A O no hydrogen 3.127 N/A GLU 36.A N ALA 32.A O no hydrogen 3.189 N/A GLU 37.A N GLY 33.A O no hydrogen 2.909 N/A ALA 38.A N LEU 34.A O no hydrogen 2.975 N/A GLY 39.A N GLU 36.A O no hydrogen 3.072 N/A PHE 40.A N VAL 35.A O no hydrogen 3.437 N/A LEU 43.A N PRO 79.A O no hydrogen 2.983 N/A THR 44.A N PRO 24.A O no hydrogen 3.005 N/A THR 44.A OG1 LEU 23.A O no hydrogen 2.871 N/A THR 44.A OG1 THR 25.A OG1 no hydrogen 2.711 N/A ILE 45.A N SER 81.A O no hydrogen 2.809 N/A GLY 46.A N VAL 26.A O no hydrogen 3.092 N/A SER 47.A OG ASP 58.A OD1 no hydrogen 2.808 N/A SER 47.A OG ASP 83.A OD2 no hydrogen 3.378 N/A VAL 50.A N GLY 46.A O no hydrogen 3.092 N/A ALA 51.A N SER 47.A O no hydrogen 2.950 N/A ASP 52.A N HIS 48.A O no hydrogen 2.924 N/A ALA 53.A N PRO 49.A O no hydrogen 3.066 N/A THR 54.A N ALA 51.A O no hydrogen 3.187 N/A THR 54.A OG1 VAL 50.A O no hydrogen 2.795 N/A THR 54.A OG1 ALA 51.A O no hydrogen 3.525 N/A SER 56.A N ALA 51.A O no hydrogen 2.868 N/A SER 57.A N SER 56.A OG no hydrogen 2.782 N/A GLY 59.A N GLU 85.A OE1 no hydrogen 2.807 N/A GLU 60.A N GLU 85.A OE1 no hydrogen 2.907 N/A GLU 60.A N GLU 85.A OE2 no hydrogen 3.136 N/A ASN 61.A ND2 SER 57.A O no hydrogen 3.687 N/A ASN 61.A ND2 ASP 58.A O no hydrogen 2.634 N/A ASP 65.A N ASN 62.A OD1 no hydrogen 2.956 N/A TYR 66.A N ASN 62.A O no hydrogen 2.942 N/A TYR 66.A OH ASP 83.A O no hydrogen 2.704 N/A VAL 68.A N ASP 65.A O no hydrogen 3.263 N/A VAL 69.A N TYR 66.A O no hydrogen 2.984 N/A LYS 71.A N ALA 67.A O no hydrogen 3.231 N/A ILE 72.A N VAL 68.A O no hydrogen 3.119 N/A THR 73.A N VAL 69.A O no hydrogen 2.863 N/A THR 73.A OG1 VAL 69.A O no hydrogen 3.432 N/A THR 73.A OG1 LYS 70.A O no hydrogen 3.254 N/A THR 73.A OG1 ALA 102.A O no hydrogen 2.668 N/A SER 74.A N LYS 70.A O no hydrogen 3.039 N/A SER 74.A OG LYS 70.A O no hydrogen 2.879 N/A ALA 75.A N LYS 71.A O no hydrogen 2.995 N/A ALA 75.A N ILE 72.A O no hydrogen 2.957 N/A SER 77.A N GLU 36.A OE2 no hydrogen 2.655 N/A SER 77.A OG.B GLU 36.A OE2 no hydrogen 2.503 N/A SER 81.A N LEU 43.A O no hydrogen 2.971 N/A VAL 82.A N GLY 106.A O no hydrogen 2.976 N/A ASP 83.A N ILE 45.A O no hydrogen 3.089 N/A VAL 84.A N ASN 108.A O no hydrogen 3.097 N/A GLU 85.A N ASP 83.A OD1 no hydrogen 2.813 N/A SER 86.A N GLU 60.A OE2 no hydrogen 2.864 N/A SER 86.A OG GLU 60.A OE2 no hydrogen 2.739 N/A GLY 87.A N VAL 84.A O no hydrogen 2.886 N/A TYR 88.A N GLU 60.A OE2 no hydrogen 3.039 N/A TYR 88.A OH GLU 85.A OE2 no hydrogen 2.512 N/A LEU 90.A N GLY 87.A O no hydrogen 2.919 N/A ASP 94.A N SER 91.A OG no hydrogen 3.076 N/A LEU 95.A N SER 91.A O no hydrogen 2.912 N/A ILE 96.A N PRO 92.A O no hydrogen 2.991 N/A ALA 97.A N ALA 93.A O no hydrogen 2.946 N/A GLN 98.A N ASP 94.A O no hydrogen 2.942 N/A GLN 98.A NE2 ASP 94.A OD1.B no hydrogen 3.085 N/A ILE 99.A N LEU 95.A O no hydrogen 3.015 N/A LEU 100.A N ILE 96.A O no hydrogen 2.979 N/A GLU 101.A N ALA 97.A O no hydrogen 3.051 N/A ALA 102.A N GLN 98.A O no hydrogen 3.084 N/A GLY 103.A N LEU 100.A O no hydrogen 2.908 N/A ALA 104.A N ILE 99.A O no hydrogen 3.068 N/A VAL 105.A N VAL 80.A O no hydrogen 2.852 N/A ILE 107.A N VAL 145.A O no hydrogen 3.082 N/A ASN 108.A N VAL 82.A O no hydrogen 3.122 N/A VAL 109.A N ASN 147.A O no hydrogen 3.332 N/A GLU 110.A N GLU 85.A O no hydrogen 2.808 N/A VAL 113.A N ARG 119.A O no hydrogen 2.810 N/A HIS 114.A N SER 86.A OG no hydrogen 3.396 N/A HIS 114.A NE2 GLU 110.A OE2 no hydrogen 2.785 N/A GLU 116.A N VAL 113.A O no hydrogen 3.044 N/A LYS 118.A N VAL 113.A O no hydrogen 2.965 N/A ARG 119.A N GLU 116.A O no hydrogen 3.070 N/A ARG 119.A NE GLU 116.A OE1 no hydrogen 2.789 N/A ARG 119.A NH1 GLU 125.A OE1 no hydrogen 3.050 N/A ARG 119.A NH1 GLU 125.A OE2 no hydrogen 3.434 N/A ARG 119.A NH2 GLU 116.A OE1 no hydrogen 2.807 N/A ARG 119.A NH2 GLU 125.A OE2 no hydrogen 2.861 N/A ARG 121.A N ASP 111.A O no hydrogen 2.771 N/A ARG 121.A NH1 HIS 126.A ND1 no hydrogen 3.095 N/A ARG 121.A NH2 SER 86.A O no hydrogen 2.877 N/A GLU 122.A N GLU 125.A OE1 no hydrogen 3.022 N/A GLN 124.A NE2 ASP 128.A OD1 no hydrogen 2.897 N/A HIS 126.A N GLU 122.A O no hydrogen 2.907 N/A HIS 126.A NE2 ARG 149.A O no hydrogen 2.976 N/A ALA 127.A N ALA 123.A O no hydrogen 3.148 N/A ASP 128.A N GLN 124.A O no hydrogen 2.776 N/A TYR 129.A N GLU 125.A O no hydrogen 3.123 N/A TYR 129.A OH LEU 90.A O no hydrogen 2.811 N/A ILE 130.A N HIS 126.A O no hydrogen 3.052 N/A ALA 131.A N ALA 127.A O no hydrogen 2.792 N/A ALA 132.A N ASP 128.A O no hydrogen 2.938 N/A ALA 133.A N TYR 129.A O no hydrogen 2.998 N/A ARG 134.A N ILE 130.A O no hydrogen 2.911 N/A ARG 134.A NE ASP 138.A OD1 no hydrogen 2.987 N/A ARG 134.A NH1 GLY 176.A O no hydrogen 2.920 N/A GLN 135.A N ALA 131.A O no hydrogen 2.870 N/A ALA 136.A N ALA 132.A O no hydrogen 3.017 N/A ALA 137.A N ALA 133.A O no hydrogen 2.959 N/A ASP 138.A N ARG 134.A O no hydrogen 2.796 N/A VAL 139.A N GLN 135.A O no hydrogen 2.818 N/A ALA 140.A N ALA 136.A O no hydrogen 2.990 N/A GLY 141.A N ASP 138.A O no hydrogen 3.064 N/A VAL 142.A N ALA 137.A O no hydrogen 3.121 N/A VAL 145.A N VAL 105.A O no hydrogen 2.888 N/A ASN 147.A N ILE 107.A O no hydrogen 2.788 N/A ASN 147.A ND2 ASN 108.A OD1 no hydrogen 2.997 N/A ASN 147.A ND2 ASN 203.A OD1 no hydrogen 2.995 N/A GLY 148.A N SER 179.A O no hydrogen 2.890 N/A ARG 149.A N VAL 109.A O no hydrogen 2.948 N/A ARG 149.A NE ASP 151.A OD1 no hydrogen 2.772 N/A ARG 149.A NH2 ASP 151.A OD1 no hydrogen 3.183 N/A THR 150.A N TYR 181.A O no hydrogen 3.097 N/A THR 150.A OG1 ASP 111.A OD2 no hydrogen 2.746 N/A ASP 151.A N ASP 111.A OD1 no hydrogen 2.831 N/A ALA 152.A N THR 150.A OG1 no hydrogen 3.203 N/A LEU 155.A N ASP 151.A O no hydrogen 2.778 N/A GLY 156.A N ALA 152.A O no hydrogen 2.917 N/A VAL 159.A N GLY 156.A O no hydrogen 2.966 N/A PHE 160.A N GLY 156.A O no hydrogen 2.983 N/A GLU 165.A N ASP 162.A O no hydrogen 3.235 N/A ALA 166.A N PRO 163.A O no hydrogen 2.940 N/A LYS 168.A N VAL 164.A O no hydrogen 3.018 N/A LYS 168.A NZ GLU 165.A OE1 no hydrogen 3.034 N/A ARG 169.A N GLU 165.A O no hydrogen 2.888 N/A ARG 169.A NE GLU 165.A OE2 no hydrogen 2.758 N/A ARG 169.A NH1 ASP 111.A OD2 no hydrogen 2.908 N/A ARG 169.A NH1 ARG 121.A O no hydrogen 2.868 N/A ARG 169.A NH2 ARG 121.A O no hydrogen 2.942 N/A ARG 169.A NH2 GLU 165.A OE2 no hydrogen 3.112 N/A ILE 170.A N ALA 166.A O no hydrogen 2.865 N/A LYS 171.A N ILE 167.A O no hydrogen 3.050 N/A LYS 171.A NZ ALA 197.A O no hydrogen 2.771 N/A LEU 172.A N LYS 168.A O no hydrogen 2.965 N/A GLN 174.A N LYS 171.A O no hydrogen 2.991 N/A ALA 175.A N LEU 172.A O no hydrogen 2.887 N/A GLY 176.A N GLU 173.A O no hydrogen 3.020 N/A ARG 178.A N ILE 146.A O no hydrogen 2.901 N/A ARG 178.A NH1 GLU 16.A OE2 no hydrogen 3.210 N/A SER 179.A N ILE 146.A O no hydrogen 3.323 N/A SER 179.A OG ASN 147.A OD1 no hydrogen 2.777 N/A SER 179.A OG PRO 201.A O no hydrogen 3.538 N/A VAL 180.A N PRO 201.A O no hydrogen 2.999 N/A TYR 181.A N GLY 148.A O no hydrogen 2.913 N/A TYR 181.A OH THR 205.A OG1 no hydrogen 2.672 N/A VAL 183.A N THR 150.A O no hydrogen 3.170 N/A SER 186.A N GLN 190.A OE1 no hydrogen 2.701 N/A THR 187.A N GLN 190.A OE1 no hydrogen 3.021 N/A GLU 189.A N GLU 189.A OE1.A no hydrogen 2.868 N/A GLN 190.A N THR 187.A OG1 no hydrogen 3.099 N/A VAL 191.A N THR 187.A O no hydrogen 3.153 N/A GLU 192.A N ALA 188.A O no hydrogen 2.934 N/A ARG 193.A N GLU 189.A O no hydrogen 3.258 N/A LEU 194.A N GLN 190.A O no hydrogen 3.118 N/A VAL 195.A N VAL 191.A O no hydrogen 2.880 N/A ASP 196.A N GLU 192.A O no hydrogen 2.920 N/A ALA 197.A N LEU 194.A O no hydrogen 3.061 N/A SER 199.A N GLU 173.A OE2 no hydrogen 2.760 N/A SER 199.A OG.A GLU 173.A OE2 no hydrogen 2.602 N/A ASN 203.A N VAL 180.A O no hydrogen 2.825 N/A ASN 203.A ND2 ILE 204.A O no hydrogen 2.919 N/A ASN 203.A ND2 ARG 227.A O no hydrogen 3.633 N/A ASN 203.A ND2 THR 229.A OG1 no hydrogen 3.029 N/A ILE 204.A N ARG 227.A O no hydrogen 3.004 N/A THR 205.A OG1 TYR 181.A OH no hydrogen 2.672 N/A ALA 206.A N THR 229.A O no hydrogen 2.848 N/A HIS 207.A N GLY 211.A O no hydrogen 2.955 N/A VAL 209.A N HIS 207.A ND1 no hydrogen 2.951 N/A ASP 210.A N HIS 207.A ND1 no hydrogen 2.979 N/A GLY 211.A N HIS 207.A O no hydrogen 2.903 N/A HIS 212.A N GLY 215.A O no hydrogen 3.028 N/A ALA 214.A N HIS 212.A ND1 no hydrogen 2.959 N/A GLY 215.A N HIS 212.A O no hydrogen 2.978 N/A THR 219.A N ASP 216.A OD1 no hydrogen 3.072 N/A THR 219.A OG1 ASP 216.A OD1 no hydrogen 2.960 N/A LEU 220.A N ASP 216.A O no hydrogen 2.937 N/A ALA 221.A N LEU 217.A O no hydrogen 2.866 N/A GLY 222.A N ALA 218.A O no hydrogen 3.029 N/A LEU 223.A N THR 219.A O no hydrogen 3.070 N/A LEU 223.A N LEU 220.A O no hydrogen 2.997 N/A GLY 224.A N ALA 221.A O no hydrogen 2.930 N/A VAL 225.A N LEU 220.A O no hydrogen 3.138 N/A ARG 226.A NH1 SER 199.A O no hydrogen 2.789 N/A ARG 226.A NH2 HIS 15.A O no hydrogen 2.863 N/A ARG 227.A N VAL 202.A O no hydrogen 3.238 N/A ARG 227.A NE ASN 203.A OD1 no hydrogen 2.971 N/A ARG 227.A NH1 HIS 15.A NE2 no hydrogen 2.946 N/A VAL 228.A N LEU 21.A O no hydrogen 2.785 N/A THR 229.A N ILE 204.A O no hydrogen 3.089 N/A THR 229.A OG1 TYR 181.A OH no hydrogen 3.399 N/A PHE 230.A N THR 25.A OG1 no hydrogen 2.978 N/A GLY 231.A N THR 25.A OG1 no hydrogen 3.074 N/A LEU 233.A N PHE 230.A O no hydrogen 2.793 N/A GLN 235.A NE2 PRO 49.A O no hydrogen 3.040 N/A LYS 236.A N PRO 232.A O no hydrogen 2.945 N/A TRP 237.A N LEU 233.A O no hydrogen 2.965 N/A LEU 238.A N TRP 234.A O no hydrogen 2.988 N/A ALA 239.A N GLN 235.A O no hydrogen 2.895 N/A ALA 240.A N LYS 236.A O no hydrogen 2.966 N/A THR 241.A N TRP 237.A O no hydrogen 2.902 N/A THR 241.A OG1 TRP 237.A O no hydrogen 2.834 N/A SER 242.A N LEU 238.A O no hydrogen 2.840 N/A SER 242.A OG LEU 238.A O no hydrogen 2.802 N/A ALA 243.A N ALA 239.A O no hydrogen 2.773 N/A GLN 244.A N ALA 240.A O no hydrogen 3.036 N/A GLN 245.A N THR 241.A O no hydrogen 3.134 N/A LEU 246.A N SER 242.A O no hydrogen 2.817 N/A LYS 247.A N GLN 244.A O no hydrogen 3.221 N/A GLY 248.A N GLN 245.A O no hydrogen 2.950 N/A TRP 249.A N LEU 246.A O no hydrogen 2.997 N/A ALA 250.A N LYS 247.A O no hydrogen 3.321 N/A