Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bcj_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N ASN 1.A O no hydrogen 3.394 N/A TYR 6.A N LYS 3.A O no hydrogen 3.350 N/A PHE 7.A N LEU 182.A O no hydrogen 2.898 N/A THR 8.A N GLN 11.A OE1 no hydrogen 2.934 N/A GLN 11.A N THR 8.A OG1 no hydrogen 2.997 N/A LEU 12.A N THR 8.A O no hydrogen 3.039 N/A GLU 13.A N ARG 9.A O no hydrogen 3.002 N/A ASN 14.A N GLU 10.A O no hydrogen 3.187 N/A SER 15.A OG GLU 27.A OE1 no hydrogen 2.561 N/A SER 15.A OG GLU 27.A OE2 no hydrogen 3.159 N/A SER 17.A N SER 15.A OG no hydrogen 3.265 N/A ARG 18.A N SER 15.A OG no hydrogen 3.132 N/A ARG 18.A NE GLU 13.A O no hydrogen 2.793 N/A ARG 18.A NH1 VAL 22.A O no hydrogen 2.981 N/A ARG 18.A NH1 GLU 27.A OE1 no hydrogen 2.758 N/A ARG 18.A NH2 GLU 27.A OE1 no hydrogen 3.131 N/A ARG 19.A N SER 15.A O no hydrogen 3.225 N/A PHE 20.A N SER 17.A O no hydrogen 2.747 N/A GLY 21.A N ARG 18.A O no hydrogen 3.099 N/A VAL 22.A N SER 17.A O no hydrogen 3.292 N/A GLU 27.A N ASP 23.A O no hydrogen 2.856 N/A LEU 28.A N PRO 24.A O no hydrogen 3.293 N/A TYR 30.A N LYS 26.A O no hydrogen 3.070 N/A ARG 31.A N GLU 27.A O no hydrogen 2.975 N/A ARG 31.A NH1 HIS 60.A ND1 no hydrogen 2.932 N/A ARG 31.A NH1 HIS 60.A O no hydrogen 3.266 N/A ARG 31.A NH2 GLU 27.A OE2 no hydrogen 3.125 N/A GLN 32.A N LEU 28.A O no hydrogen 2.882 N/A GLN 33.A N SER 29.A O no hydrogen 2.771 N/A ALA 34.A N TYR 30.A O no hydrogen 3.028 N/A ALA 35.A N ARG 31.A O no hydrogen 2.985 N/A ASN 36.A N GLN 32.A O no hydrogen 2.921 N/A LEU 37.A N GLN 33.A O no hydrogen 2.908 N/A LEU 38.A N ALA 34.A O no hydrogen 2.700 N/A GLN 39.A N ALA 35.A O no hydrogen 2.755 N/A GLN 39.A NE2 GLN 43.A OE1 no hydrogen 2.861 N/A GLN 39.A NE2 GLN 49.A OE1 no hydrogen 3.175 N/A ASP 40.A N ASN 36.A O no hydrogen 2.749 N/A MET 41.A N LEU 37.A O no hydrogen 2.988 N/A GLY 42.A N LEU 38.A O no hydrogen 2.776 N/A GLN 43.A N GLN 39.A O no hydrogen 3.006 N/A ARG 44.A N ASP 40.A O no hydrogen 3.134 N/A ARG 44.A NE ASP 40.A OD1 no hydrogen 2.890 N/A ARG 44.A NE ASP 40.A OD2 no hydrogen 3.352 N/A ARG 44.A NH2 ASP 40.A OD1 no hydrogen 3.182 N/A ARG 44.A NH2 ASP 40.A OD2 no hydrogen 2.908 N/A LEU 45.A N MET 41.A O no hydrogen 2.844 N/A ASN 46.A N GLN 43.A O no hydrogen 3.040 N/A VAL 47.A N GLY 42.A O no hydrogen 3.073 N/A SER 48.A N GLN 90.A OE1 no hydrogen 2.979 N/A SER 48.A OG THR 51.A OG1 no hydrogen 2.936 N/A SER 48.A OG GLN 90.A OE1 no hydrogen 3.038 N/A GLN 49.A NE2 GLN 39.A OE1 no hydrogen 2.838 N/A GLN 49.A NE2 ASN 53.A OD1 no hydrogen 3.039 N/A THR 51.A N SER 48.A OG no hydrogen 3.084 N/A THR 51.A OG1 SER 48.A OG no hydrogen 2.936 N/A THR 51.A OG1 GLN 90.A OE1 no hydrogen 2.702 N/A ILE 52.A N SER 48.A O no hydrogen 3.175 N/A ASN 53.A N GLN 49.A O no hydrogen 3.045 N/A THR 54.A N LEU 50.A O no hydrogen 2.870 N/A THR 54.A OG1 LEU 50.A O no hydrogen 3.264 N/A THR 54.A OG1 GLU 88.A OE2 no hydrogen 2.894 N/A THR 54.A OG1 HIS 145.A NE2 no hydrogen 3.003 N/A ALA 55.A N THR 51.A O no hydrogen 2.754 N/A ILE 56.A N ILE 52.A O no hydrogen 2.931 N/A VAL 57.A N ASN 53.A O no hydrogen 2.932 N/A TYR 58.A N THR 54.A O no hydrogen 3.086 N/A TYR 58.A OH LEU 141.A O no hydrogen 2.830 N/A MET 59.A N ALA 55.A O no hydrogen 2.929 N/A HIS 60.A N ILE 56.A O no hydrogen 2.986 N/A HIS 60.A NE2 LEU 175.A O no hydrogen 3.075 N/A ARG 61.A N VAL 57.A O no hydrogen 2.864 N/A PHE 62.A N TYR 58.A O no hydrogen 2.756 N/A TYR 63.A N MET 59.A O no hydrogen 3.153 N/A TYR 63.A OH PHE 71.A O no hydrogen 2.719 N/A MET 64.A N ARG 61.A O no hydrogen 2.918 N/A ILE 65.A N PHE 62.A O no hydrogen 3.022 N/A GLN 66.A N PHE 62.A O no hydrogen 2.783 N/A GLN 66.A NE2 THR 136.A OG1 no hydrogen 3.278 N/A SER 67.A OG THR 69.A OG1 no hydrogen 2.796 N/A PHE 68.A N SER 17.A OG no hydrogen 3.189 N/A THR 69.A N SER 67.A OG no hydrogen 2.902 N/A THR 69.A OG1 SER 67.A OG no hydrogen 2.796 N/A ARG 70.A N SER 67.A O no hydrogen 3.016 N/A PHE 71.A N SER 67.A O no hydrogen 2.989 N/A SER 75.A N PRO 72.A O no hydrogen 2.872 N/A VAL 76.A N PRO 72.A O no hydrogen 3.182 N/A ALA 77.A N GLY 73.A O no hydrogen 2.917 N/A ALA 80.A N VAL 76.A O no hydrogen 2.729 N/A LEU 81.A N ALA 77.A O no hydrogen 2.790 N/A PHE 82.A N PRO 78.A O no hydrogen 2.870 N/A LEU 83.A N ALA 79.A O no hydrogen 3.089 N/A ALA 84.A N ALA 80.A O no hydrogen 2.859 N/A ALA 85.A N LEU 81.A O no hydrogen 2.966 N/A LYS 86.A N LEU 83.A O no hydrogen 2.703 N/A LYS 86.A NZ GLU 130.A OE2 no hydrogen 2.760 N/A VAL 87.A N LEU 83.A O no hydrogen 2.945 N/A GLU 88.A N ALA 84.A O no hydrogen 2.725 N/A GLY 89.A N LYS 86.A O no hydrogen 2.960 N/A GLN 90.A N ALA 85.A O no hydrogen 2.834 N/A VAL 97.A N LYS 93.A O no hydrogen 2.895 N/A ILE 98.A N LEU 94.A O no hydrogen 3.059 N/A LYS 99.A N GLU 95.A O no hydrogen 3.058 N/A VAL 100.A N HIS 96.A O no hydrogen 3.205 N/A ALA 101.A N VAL 97.A O no hydrogen 2.982 N/A HIS 102.A N ILE 98.A O no hydrogen 3.006 N/A THR 103.A N LYS 99.A O no hydrogen 3.260 N/A CYS 104.A N VAL 100.A O no hydrogen 3.016 N/A CYS 104.A SG ASP 40.A OD2 no hydrogen 3.059 N/A CYS 104.A SG VAL 100.A O no hydrogen 3.449 N/A LEU 105.A N ALA 101.A O no hydrogen 3.048 N/A SER 116.A N ASP 113.A O no hydrogen 2.522 N/A SER 116.A OG ASP 113.A O no hydrogen 2.373 N/A TYR 119.A N SER 116.A O no hydrogen 3.290 N/A LEU 120.A N SER 116.A O no hydrogen 2.927 N/A GLN 121.A N GLU 117.A O no hydrogen 2.926 N/A GLN 122.A NE2 ALA 118.A O no hydrogen 3.623 N/A VAL 123.A N TYR 119.A O no hydrogen 2.982 N/A GLN 124.A N LEU 120.A O no hydrogen 3.180 N/A ASP 125.A N GLN 121.A O no hydrogen 2.875 N/A LEU 126.A N GLN 122.A O no hydrogen 3.265 N/A VAL 127.A N VAL 123.A O no hydrogen 3.341 N/A ILE 128.A N GLN 124.A O no hydrogen 2.970 N/A LEU 129.A N ASP 125.A O no hydrogen 3.148 N/A GLU 130.A N LEU 126.A O no hydrogen 2.908 N/A SER 131.A N VAL 127.A O no hydrogen 3.141 N/A ILE 132.A N ILE 128.A O no hydrogen 3.013 N/A ILE 133.A N LEU 129.A O no hydrogen 2.793 N/A LEU 134.A N GLU 130.A O no hydrogen 2.989 N/A GLN 135.A N SER 131.A O no hydrogen 3.050 N/A THR 136.A N ILE 132.A O no hydrogen 3.094 N/A THR 136.A OG1 ILE 132.A O no hydrogen 2.519 N/A LEU 137.A N ILE 133.A O no hydrogen 2.857 N/A PHE 139.A N LEU 134.A O no hydrogen 2.960 N/A GLU 140.A N LEU 137.A O no hydrogen 3.123 N/A HIS 145.A NE2 THR 54.A OG1 no hydrogen 3.003 N/A HIS 147.A NE2 THR 172.A OG1 no hydrogen 3.050 N/A THR 148.A OG1 HIS 145.A O no hydrogen 3.273 N/A VAL 150.A N HIS 147.A O no hydrogen 2.808 N/A CYS 153.A N HIS 149.A O no hydrogen 3.154 N/A THR 154.A N VAL 150.A O no hydrogen 2.769 N/A THR 154.A OG1 VAL 150.A O no hydrogen 3.158 N/A THR 154.A OG1 VAL 151.A O no hydrogen 3.143 N/A GLN 155.A N VAL 151.A O no hydrogen 2.907 N/A VAL 157.A N CYS 153.A O no hydrogen 2.814 N/A VAL 157.A N THR 154.A O no hydrogen 3.118 N/A ARG 158.A N GLN 155.A O no hydrogen 2.806 N/A LEU 163.A N SER 160.A OG no hydrogen 3.076 N/A ALA 164.A N SER 160.A O no hydrogen 3.137 N/A GLN 165.A N LYS 161.A O no hydrogen 3.128 N/A THR 166.A N ASP 162.A O no hydrogen 3.091 N/A THR 166.A OG1 ASP 162.A O no hydrogen 3.240 N/A SER 167.A N LEU 163.A O no hydrogen 3.045 N/A SER 167.A OG LEU 163.A O no hydrogen 2.925 N/A TYR 168.A N ALA 164.A O no hydrogen 3.208 N/A PHE 169.A N GLN 165.A O no hydrogen 2.898 N/A MET 170.A N THR 166.A O no hydrogen 2.932 N/A ALA 171.A N SER 167.A O no hydrogen 2.936 N/A THR 172.A N TYR 168.A O no hydrogen 2.771 N/A THR 172.A OG1 HIS 147.A NE2 no hydrogen 3.050 N/A THR 172.A OG1 TYR 168.A O no hydrogen 3.301 N/A ASN 173.A N PHE 169.A O no hydrogen 2.963 N/A ASN 173.A ND2 PHE 169.A O no hydrogen 2.579 N/A SER 174.A N MET 170.A O no hydrogen 2.807 N/A SER 174.A OG ALA 171.A O no hydrogen 2.753 N/A LEU 175.A N ALA 171.A O no hydrogen 3.352 N/A HIS 176.A N THR 172.A O no hydrogen 3.414 N/A HIS 176.A ND1 THR 172.A O no hydrogen 3.029 N/A LEU 177.A N ASN 173.A O no hydrogen 2.741 N/A THR 178.A N SER 174.A O no hydrogen 2.931 N/A THR 178.A OG1 SER 174.A O no hydrogen 2.587 N/A PHE 180.A N THR 178.A OG1 no hydrogen 3.078 N/A LEU 182.A N THR 179.A O no hydrogen 3.002 N/A GLN 183.A N PHE 180.A O no hydrogen 2.913 N/A GLN 183.A NE2 THR 179.A O no hydrogen 3.291 N/A TYR 184.A N PHE 180.A O no hydrogen 2.764 N/A VAL 189.A N THR 185.A O no hydrogen 3.102 N/A ALA 190.A N PRO 186.A O no hydrogen 2.905 N/A CYS 191.A N PRO 187.A O no hydrogen 3.336 N/A CYS 191.A SG PRO 187.A O no hydrogen 3.488 N/A VAL 192.A N VAL 188.A O no hydrogen 3.219 N/A CYS 193.A N VAL 189.A O no hydrogen 3.033 N/A CYS 193.A SG VAL 189.A O no hydrogen 3.502 N/A ILE 194.A N ALA 190.A O no hydrogen 2.965 N/A HIS 195.A N CYS 191.A O no hydrogen 2.787 N/A HIS 195.A NE2 ASP 228.A OD1 no hydrogen 3.042 N/A LEU 196.A N VAL 192.A O no hydrogen 3.113 N/A ALA 197.A N CYS 193.A O no hydrogen 2.967 N/A CYS 198.A N ILE 194.A O no hydrogen 2.989 N/A CYS 198.A N HIS 195.A O no hydrogen 3.104 N/A CYS 198.A SG ILE 194.A O no hydrogen 3.553 N/A LYS 199.A N HIS 195.A O no hydrogen 3.036 N/A LYS 199.A NZ ASP 228.A OD1 no hydrogen 2.770 N/A TRP 200.A N LEU 196.A O no hydrogen 2.774 N/A TRP 200.A NE1 ILE 248.A O no hydrogen 3.006 N/A SER 201.A N CYS 198.A O no hydrogen 2.949 N/A SER 201.A OG ALA 197.A O no hydrogen 2.546 N/A TRP 203.A N CYS 198.A O no hydrogen 3.115 N/A SER 208.A N LYS 212.A O no hydrogen 3.332 N/A SER 208.A OG LYS 212.A O no hydrogen 3.319 N/A SER 208.A OG TYR 217.A OH no hydrogen 3.128 N/A GLY 211.A N SER 208.A O no hydrogen 3.198 N/A HIS 213.A N GLU 216.A OE2 no hydrogen 3.231 N/A GLU 216.A N HIS 213.A O no hydrogen 3.093 N/A TYR 217.A N TRP 214.A O no hydrogen 2.901 N/A TYR 217.A OH SER 208.A OG no hydrogen 3.128 N/A VAL 218.A N TRP 215.A O no hydrogen 2.735 N/A THR 221.A N ASP 219.A OD1 no hydrogen 2.849 N/A THR 221.A OG1 ASP 219.A OD1 no hydrogen 2.770 N/A VAL 222.A N ASP 219.A O no hydrogen 3.452 N/A THR 223.A OG1 GLU 225.A OE1 no hydrogen 3.333 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.808 N/A LEU 226.A N THR 223.A OG1 no hydrogen 3.347 N/A LEU 227.A N THR 223.A O no hydrogen 2.933 N/A ASP 228.A N LEU 224.A O no hydrogen 2.800 N/A GLU 229.A N GLU 225.A O no hydrogen 3.081 N/A LEU 230.A N LEU 226.A O no hydrogen 2.805 N/A THR 231.A N LEU 227.A O no hydrogen 2.871 N/A THR 231.A OG1 LEU 227.A O no hydrogen 3.004 N/A THR 231.A OG1 ASP 228.A O no hydrogen 3.119 N/A HIS 232.A N ASP 228.A O no hydrogen 3.079 N/A GLU 233.A N GLU 229.A O no hydrogen 3.203 N/A LEU 234.A N LEU 230.A O no hydrogen 2.855 N/A LEU 235.A N THR 231.A O no hydrogen 2.625 N/A GLN 236.A N HIS 232.A O no hydrogen 2.857 N/A ILE 237.A N LEU 234.A O no hydrogen 3.232 N/A LEU 238.A N LEU 234.A O no hydrogen 3.073 N/A GLU 239.A N LEU 235.A O no hydrogen 3.017 N/A LYS 240.A N GLN 236.A O no hydrogen 3.262 N/A THR 241.A N ILE 237.A O no hydrogen 3.094 N/A THR 241.A N LEU 238.A O no hydrogen 2.965 N/A THR 241.A OG1 ILE 237.A O no hydrogen 2.930 N/A ARG 244.A N THR 241.A O no hydrogen 3.164 N/A ARG 244.A NH1 ASN 173.A OD1 no hydrogen 3.306 N/A ARG 247.A N ARG 244.A O no hydrogen 3.034 N/A ILE 248.A N LEU 245.A O no hydrogen 3.060 N/A TRP 249.A N LYS 246.A O no hydrogen 3.169 N/A ARG 252.A NH1 ASN 250.A OD1 no hydrogen 2.664 N/A