Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N THR 32.A O no hydrogen 2.613 N/A SER 6.A OG ASN 4.A OD1 no hydrogen 2.490 N/A TRP 7.A N ASN 4.A O no hydrogen 3.129 N/A ASN 8.A N THR 5.A O no hydrogen 3.074 N/A LYS 9.A N SER 6.A O no hydrogen 3.167 N/A GLU 10.A N TRP 7.A O no hydrogen 3.180 N/A PHE 11.A N ASN 8.A O no hydrogen 2.793 N/A SER 12.A N ASN 8.A O no hydrogen 3.018 N/A SER 12.A OG LYS 9.A O no hydrogen 3.145 N/A ALA 15.A N SER 12.A O no hydrogen 3.078 N/A VAL 16.A N PHE 11.A O no hydrogen 3.089 N/A VAL 19.A N ASN 216.A O no hydrogen 2.875 N/A PHE 20.A N ASN 33.A OD1 no hydrogen 2.745 N/A VAL 21.A N ALA 214.A O no hydrogen 2.839 N/A LEU 22.A N ALA 31.A O no hydrogen 2.906 N/A CYS 23.A N PHE 212.A O no hydrogen 2.789 N/A LYS 24.A N SER 29.A O no hydrogen 3.216 N/A SER 25.A N VAL 210.A O no hydrogen 2.786 N/A SER 25.A OG GLU 209.A OE1 no hydrogen 2.764 N/A SER 25.A OG GLU 209.A OE2 no hydrogen 3.410 N/A SER 26.A N LYS 24.A O no hydrogen 2.814 N/A SER 27.A N GLU 149.A OE2 no hydrogen 3.085 N/A SER 27.A OG GLU 149.A OE1 no hydrogen 2.654 N/A LYS 28.A N SER 26.A OG no hydrogen 3.195 N/A LYS 28.A NZ SER 26.A OG no hydrogen 2.945 N/A SER 29.A N SER 26.A O no hydrogen 3.309 N/A CYS 30.A SG SER 27.A O no hydrogen 3.427 N/A ALA 31.A N LEU 22.A O no hydrogen 2.956 N/A THR 32.A N THR 2.A O no hydrogen 3.366 N/A THR 32.A OG1 PHE 20.A O no hydrogen 2.810 N/A THR 32.A OG1 ASP 34.A O no hydrogen 3.535 N/A ASN 33.A ND2 ASN 8.A OD1 no hydrogen 3.068 N/A ASN 33.A ND2 GLY 18.A O no hydrogen 3.302 N/A ASP 34.A N THR 32.A OG1 no hydrogen 3.229 N/A LEU 35.A N GLU 3.A OE1 no hydrogen 2.874 N/A ARG 37.A N ASP 34.A OD2 no hydrogen 3.232 N/A ARG 37.A NE ASN 216.A OD1 no hydrogen 2.914 N/A ARG 37.A NH1 ASN 216.A OD1 no hydrogen 2.965 N/A ARG 37.A NH1 ASP 218.A OD1 no hydrogen 2.935 N/A ARG 37.A NH2 ASP 218.A OD1 no hydrogen 3.114 N/A ARG 37.A NH2 ASP 218.A OD2 no hydrogen 3.265 N/A ALA 38.A N ASP 34.A O no hydrogen 2.982 N/A LYS 40.A N ARG 37.A O no hydrogen 2.959 N/A TYR 42.A N ILE 139.A O no hydrogen 2.911 N/A ALA 45.A N TRP 132.A O no hydrogen 3.011 N/A THR 47.A N PRO 44.A O no hydrogen 3.135 N/A THR 47.A OG1 PRO 44.A O no hydrogen 2.640 N/A THR 47.A OG1 GLN 144.A OE1 no hydrogen 3.014 N/A PHE 48.A N ALA 45.A O no hydrogen 2.990 N/A ASN 51.A N PHE 48.A O no hydrogen 2.949 N/A ILE 53.A N ILE 49.A O no hydrogen 3.190 N/A ILE 54.A N PRO 50.A O no hydrogen 2.893 N/A GLY 55.A N ASN 51.A O no hydrogen 2.831 N/A LEU 56.A N ALA 52.A O no hydrogen 3.022 N/A GLU 57.A N ILE 53.A O no hydrogen 2.847 N/A THR 58.A N ILE 54.A O no hydrogen 2.940 N/A THR 58.A OG1 ILE 54.A O no hydrogen 2.862 N/A THR 58.A OG1 GLY 55.A O no hydrogen 3.283 N/A GLY 59.A N LEU 56.A O no hydrogen 3.216 N/A ILE 61.A N GLY 55.A O no hydrogen 2.862 N/A LYS 62.A N GLN 66.A OE1 no hydrogen 2.557 N/A GLU 64.A N GLU 64.A OE2 no hydrogen 2.751 N/A HIS 65.A N ASN 63.A OD1 no hydrogen 2.918 N/A GLN 66.A N ASN 63.A O no hydrogen 3.240 N/A PHE 68.A N LEU 84.A O no hydrogen 2.759 N/A TRP 70.A N ASP 83.A OD2 no hydrogen 2.895 N/A TRP 70.A NE1 LYS 73.A O no hydrogen 2.759 N/A LYS 73.A N ASP 71.A OD1 no hydrogen 2.979 N/A ARG 75.A N GLU 81.A OE1 no hydrogen 2.944 N/A ARG 75.A NH1 TRP 80.A O no hydrogen 2.778 N/A TRP 80.A N MET 77.A O no hydrogen 2.964 N/A TRP 80.A NE1 VAL 92.A O no hydrogen 3.000 N/A GLU 81.A N LYS 78.A O no hydrogen 2.996 N/A ARG 82.A N TRP 80.A O no hydrogen 2.962 N/A LEU 84.A N PHE 68.A O no hydrogen 3.006 N/A ARG 87.A NH1.A VAL 171.A O no hydrogen 3.078 N/A ARG 87.A NH1.B VAL 171.A O no hydrogen 2.675 N/A ARG 87.A NH2.A GLU 168.A O no hydrogen 3.175 N/A ARG 87.A NH2.A VAL 171.A O no hydrogen 2.821 N/A GLY 88.A N THR 85.A OG1 no hydrogen 3.022 N/A ALA 89.A N THR 85.A O no hydrogen 2.884 N/A ILE 90.A N LEU 86.A O no hydrogen 3.071 N/A GLN 91.A N ARG 87.A O no hydrogen 2.866 N/A GLN 91.A NE2 ALA 169.A O no hydrogen 2.810 N/A GLN 91.A NE2 VAL 171.A O no hydrogen 3.092 N/A VAL 92.A N GLY 88.A O no hydrogen 2.882 N/A SER 93.A N ILE 90.A O no hydrogen 3.018 N/A ALA 94.A N ALA 89.A O no hydrogen 2.905 N/A VAL 97.A N ALA 94.A O no hydrogen 3.108 N/A PHE 98.A N ALA 94.A O no hydrogen 3.451 N/A GLN 99.A N VAL 95.A O no hydrogen 2.902 N/A GLN 99.A NE2 ASP 129.A O no hydrogen 2.937 N/A GLN 100.A N PRO 96.A O no hydrogen 3.170 N/A GLN 100.A NE2 GLU 104.A OE2 no hydrogen 2.900 N/A ILE 101.A N VAL 97.A O no hydrogen 3.116 N/A ALA 102.A N PHE 98.A O no hydrogen 2.925 N/A ARG 103.A N GLN 99.A O no hydrogen 3.033 N/A ARG 103.A NE ASP 129.A OD2 no hydrogen 3.219 N/A ARG 103.A NH1 GLN 100.A OE1 no hydrogen 2.997 N/A ARG 103.A NH2 ASP 129.A OD2 no hydrogen 3.024 N/A GLU 104.A N GLN 100.A O no hydrogen 3.091 N/A VAL 105.A N ILE 101.A O no hydrogen 2.892 N/A GLY 106.A N ALA 102.A O no hydrogen 2.906 N/A ARG 109.A NE VAL 105.A O no hydrogen 2.908 N/A ARG 109.A NH2 GLU 104.A O no hydrogen 2.956 N/A ARG 109.A NH2 VAL 105.A O no hydrogen 3.454 N/A MET 110.A N GLY 106.A O no hydrogen 2.913 N/A GLN 111.A N GLU 107.A O no hydrogen 2.943 N/A GLN 111.A NE2 GLN 122.A O no hydrogen 2.746 N/A LYS 112.A N VAL 108.A O no hydrogen 3.179 N/A TYR 113.A N ARG 109.A O no hydrogen 3.028 N/A LEU 114.A N MET 110.A O no hydrogen 2.987 N/A LYS 115.A N GLN 111.A O no hydrogen 3.075 N/A LYS 116.A N LYS 112.A O no hydrogen 3.012 N/A PHE 117.A N TYR 113.A O no hydrogen 2.847 N/A SER 118.A N LYS 115.A O no hydrogen 3.117 N/A TYR 119.A N LEU 114.A O no hydrogen 3.031 N/A ASN 121.A N ARG 138.A O no hydrogen 2.899 N/A ASN 121.A ND2 GLN 136.A O no hydrogen 2.839 N/A GLN 122.A N TYR 119.A O no hydrogen 3.129 N/A ASN 123.A N ASN 121.A OD1 no hydrogen 3.052 N/A SER 125.A N ASN 123.A OD1 no hydrogen 2.958 N/A SER 125.A OG.A ASN 123.A OD1 no hydrogen 2.553 N/A SER 125.A OG.B ASN 123.A OD1 no hydrogen 2.766 N/A LYS 130.A N GLY 127.A O no hydrogen 3.055 N/A LYS 130.A NZ GLY 126.A O no hydrogen 3.106 N/A LEU 133.A N LYS 130.A O no hydrogen 3.052 N/A GLU 134.A N LYS 130.A O no hydrogen 2.873 N/A GLY 135.A N LYS 130.A O no hydrogen 3.111 N/A GLN 136.A N SER 125.A O no hydrogen 3.295 N/A ARG 138.A N ASN 121.A OD1 no hydrogen 3.086 N/A ARG 138.A NH1 GLY 135.A O no hydrogen 3.549 N/A ARG 138.A NH2 GLY 135.A O no hydrogen 2.747 N/A ARG 138.A NH2 LEU 137.A O no hydrogen 3.000 N/A ILE 139.A N TYR 42.A O no hydrogen 2.820 N/A VAL 142.A N ALA 38.A O no hydrogen 3.092 N/A ASN 143.A N SER 140.A OG no hydrogen 3.059 N/A ASN 143.A ND2 SER 118.A O no hydrogen 3.425 N/A GLN 144.A N SER 140.A O no hydrogen 2.978 N/A VAL 145.A N ALA 141.A O no hydrogen 3.099 N/A GLU 146.A N VAL 142.A O no hydrogen 3.059 N/A PHE 147.A N ASN 143.A O no hydrogen 2.890 N/A LEU 148.A N GLN 144.A O no hydrogen 2.850 N/A GLU 149.A N VAL 145.A O no hydrogen 2.898 N/A SER 150.A N GLU 146.A O no hydrogen 3.105 N/A SER 150.A OG GLU 146.A O no hydrogen 3.154 N/A LEU 151.A N PHE 147.A O no hydrogen 3.037 N/A TYR 152.A N LEU 148.A O no hydrogen 2.846 N/A LEU 153.A N GLU 149.A O no hydrogen 2.950 N/A ASN 154.A N LEU 151.A O no hydrogen 2.966 N/A LYS 155.A N SER 150.A O no hydrogen 2.795 N/A LEU 156.A N GLN 163.A OE1 no hydrogen 3.104 N/A ALA 158.A N LEU 156.A O no hydrogen 2.764 N/A SER 159.A N GLU 57.A OE2 no hydrogen 2.856 N/A SER 159.A OG GLU 57.A OE2 no hydrogen 3.393 N/A ASN 162.A N SER 159.A OG no hydrogen 2.947 N/A ASN 162.A ND2 GLU 57.A OE2 no hydrogen 2.745 N/A GLN 163.A N SER 159.A O no hydrogen 3.116 N/A GLN 163.A NE2 ASN 154.A O no hydrogen 3.287 N/A GLN 163.A NE2 LEU 156.A O no hydrogen 3.317 N/A GLN 163.A NE2 ALA 158.A O no hydrogen 2.924 N/A GLN 163.A NE2 SER 159.A O no hydrogen 3.425 N/A LEU 164.A N LYS 160.A O no hydrogen 2.903 N/A ILE 165.A N GLU 161.A O no hydrogen 2.981 N/A VAL 166.A N ASN 162.A O no hydrogen 3.185 N/A LYS 167.A N GLN 163.A O no hydrogen 2.913 N/A LYS 167.A NZ LEU 151.A O no hydrogen 3.241 N/A LYS 167.A NZ TYR 152.A O no hydrogen 2.876 N/A LYS 167.A NZ ASN 154.A OD1 no hydrogen 2.768 N/A GLU 168.A N LEU 164.A O no hydrogen 3.071 N/A ALA 169.A N ILE 165.A O no hydrogen 3.170 N/A LEU 170.A N VAL 166.A O no hydrogen 3.130 N/A LEU 170.A N LYS 167.A O no hydrogen 3.042 N/A VAL 171.A N GLU 168.A O no hydrogen 3.223 N/A THR 172.A N VAL 180.A O no hydrogen 2.864 N/A THR 172.A OG1 VAL 180.A O no hydrogen 3.547 N/A THR 172.A OG1 SER 182.A OG no hydrogen 2.952 N/A GLU 173.A N VAL 180.A O no hydrogen 3.497 N/A ALA 175.A N TYR 178.A O no hydrogen 2.762 N/A TYR 178.A N ALA 175.A O no hydrogen 3.283 N/A LEU 179.A N GLU 205.A O no hydrogen 2.857 N/A VAL 180.A N GLU 173.A O no hydrogen 2.919 N/A HIS 181.A N TRP 203.A O no hydrogen 2.991 N/A HIS 181.A ND1 LYS 167.A O no hydrogen 2.895 N/A SER 182.A N LEU 170.A O no hydrogen 2.931 N/A SER 182.A OG THR 172.A OG1 no hydrogen 2.952 N/A LYS 183.A N VAL 201.A O no hydrogen 2.903 N/A LYS 183.A NZ SER 93.A OG no hydrogen 2.773 N/A LYS 183.A NZ THR 184.A O no hydrogen 2.865 N/A GLY 185.A N TRP 199.A O no hydrogen 2.992 N/A SER 187.A N VAL 197.A O no hydrogen 2.862 N/A SER 187.A OG VAL 197.A O no hydrogen 3.444 N/A THR 191.A N ASN 194.A O no hydrogen 2.780 N/A THR 191.A OG1 SER 193.A OG.A no hydrogen 2.762 N/A SER 193.A OG.A THR 191.A OG1 no hydrogen 2.762 N/A SER 193.A OG.A ASN 194.A OD1 no hydrogen 3.499 N/A ASN 194.A N THR 191.A OG1 no hydrogen 2.657 N/A GLY 196.A N ILE 219.A O no hydrogen 2.978 N/A VAL 197.A N SER 187.A OG no hydrogen 2.789 N/A ALA 198.A N MET 217.A O no hydrogen 2.985 N/A TRP 199.A N GLY 185.A O no hydrogen 2.790 N/A TRP 199.A NE1 LEU 43.A O no hydrogen 2.736 N/A TRP 200.A N PHE 215.A O no hydrogen 2.929 N/A TRP 200.A NE1 SER 182.A OG no hydrogen 3.215 N/A VAL 201.A N LYS 183.A O no hydrogen 2.972 N/A GLY 202.A N PHE 213.A O no hydrogen 2.997 N/A TRP 203.A N HIS 181.A O no hydrogen 2.834 N/A VAL 204.A N TYR 211.A O no hydrogen 2.715 N/A GLU 205.A N LEU 179.A O no hydrogen 2.770 N/A LYS 206.A N GLU 209.A O no hydrogen 2.988 N/A LYS 206.A NZ ILE 242.A O no hydrogen 2.838 N/A GLU 207.A N GLU 177.A O no hydrogen 2.930 N/A GLU 209.A N LYS 206.A O no hydrogen 2.923 N/A VAL 210.A N GLU 209.A OE1 no hydrogen 2.999 N/A TYR 211.A N VAL 204.A O no hydrogen 2.784 N/A PHE 212.A N CYS 23.A O no hydrogen 2.830 N/A PHE 213.A N GLY 202.A O no hydrogen 2.905 N/A ALA 214.A N VAL 21.A O no hydrogen 2.995 N/A PHE 215.A N TRP 200.A O no hydrogen 2.779 N/A ASN 216.A N VAL 19.A O no hydrogen 3.150 N/A MET 217.A N ALA 198.A O no hydrogen 3.011 N/A ASP 218.A N ASN 17.A O no hydrogen 2.905 N/A ILE 219.A N GLY 196.A O no hydrogen 3.022 N/A SER 223.A N ASN 221.A OD1 no hydrogen 2.849 N/A LYS 224.A N ASN 221.A O no hydrogen 3.015 N/A LYS 224.A NZ GLU 14.A O no hydrogen 3.291 N/A LYS 224.A NZ GLU 14.A OE1 no hydrogen 3.244 N/A LEU 225.A N GLU 222.A O no hydrogen 3.166 N/A LEU 227.A N LYS 224.A O no hydrogen 3.035 N/A ARG 228.A N LEU 225.A O no hydrogen 2.983 N/A ARG 228.A NH2 GLY 185.A O no hydrogen 3.038 N/A LYS 229.A N PRO 226.A O no hydrogen 3.044 N/A SER 230.A N PRO 226.A O no hydrogen 3.029 N/A SER 230.A OG PRO 226.A O no hydrogen 3.434 N/A ILE 231.A N LEU 227.A O no hydrogen 3.040 N/A THR 233.A N LYS 229.A O no hydrogen 2.984 N/A THR 233.A OG1 LYS 229.A O no hydrogen 2.620 N/A LYS 234.A N SER 230.A O no hydrogen 2.955 N/A ILE 235.A N ILE 231.A O no hydrogen 3.095 N/A MET 236.A N PRO 232.A O no hydrogen 2.844 N/A GLU 237.A N THR 233.A O no hydrogen 2.710 N/A SER 238.A N LYS 234.A O no hydrogen 2.888 N/A SER 238.A OG ILE 235.A O no hydrogen 2.567 N/A GLU 239.A N ILE 235.A O no hydrogen 3.070 N/A GLU 239.A N MET 236.A O no hydrogen 2.960 N/A GLY 240.A N GLU 237.A O no hydrogen 2.955 N/A ILE 241.A N MET 236.A O no hydrogen 2.875 N/A