Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ceq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N VAL 63.A O no hydrogen 2.691 N/A PHE 6.A N GLN 66.A OE1 no hydrogen 2.926 N/A GLU 8.A N PRO 5.A O no hydrogen 3.012 N/A ILE 9.A N PHE 6.A O no hydrogen 2.902 N/A LEU 10.A N ARG 27.A O no hydrogen 2.874 N/A GLN 13.A N LEU 25.A O no hydrogen 2.887 N/A VAL 15.A N VAL 23.A O no hydrogen 2.872 N/A GLY 16.A N VAL 23.A O no hydrogen 3.394 N/A GLY 18.A N GLY 21.A O no hydrogen 3.042 N/A GLY 21.A N GLY 18.A O no hydrogen 3.088 N/A VAL 23.A N GLY 16.A O no hydrogen 2.806 N/A PHE 24.A N VAL 35.A O no hydrogen 2.890 N/A LEU 25.A N GLN 13.A O no hydrogen 2.738 N/A GLY 26.A N VAL 33.A O no hydrogen 2.852 N/A ARG 27.A N LEU 10.A O no hydrogen 2.801 N/A ARG 27.A NH1 ASP 11.A OD2 no hydrogen 2.698 N/A ARG 27.A NH2 ASP 11.A OD2 no hydrogen 2.885 N/A PHE 28.A N GLU 31.A O no hydrogen 2.893 N/A GLU 31.A N PHE 28.A O no hydrogen 3.126 N/A VAL 33.A N GLY 26.A O no hydrogen 2.874 N/A ALA 34.A N MET 74.A O no hydrogen 2.831 N/A VAL 35.A N PHE 24.A O no hydrogen 2.768 N/A LYS 36.A N ILE 72.A O no hydrogen 2.847 N/A LYS 37.A N ALA 22.A O no hydrogen 2.889 N/A LYS 37.A NZ VAL 38.A O no hydrogen 3.278 N/A LYS 37.A NZ PRO 68.A O no hydrogen 2.857 N/A LYS 37.A NZ TYR 70.A O no hydrogen 2.940 N/A VAL 38.A N TYR 70.A O no hydrogen 3.143 N/A ARG 39.A N GLU 43.A OE2 no hydrogen 2.966 N/A ARG 39.A NE ASP 40.A OD2 no hydrogen 2.855 N/A ARG 39.A NH1 ASP 40.A OD2 no hydrogen 3.204 N/A LYS 42.A NZ ASP 40.A OD1 no hydrogen 2.877 N/A LYS 42.A NZ ASP 40.A OD2 no hydrogen 3.482 N/A GLU 43.A N ASP 40.A O no hydrogen 3.311 N/A THR 44.A N LEU 41.A O no hydrogen 2.883 N/A THR 44.A OG1 LEU 41.A O no hydrogen 2.667 N/A ASP 45.A N LYS 42.A O no hydrogen 3.140 N/A LEU 49.A N ILE 46.A O no hydrogen 3.072 N/A ARG 50.A N LYS 47.A O no hydrogen 3.226 N/A LEU 52.A N LEU 49.A O no hydrogen 3.140 N/A LYS 53.A N TYR 110.A OH no hydrogen 3.064 N/A ASN 56.A N HIS 54.A ND1 no hydrogen 2.900 N/A ASN 56.A ND2 VAL 134.A O no hydrogen 2.980 N/A ILE 57.A N HIS 54.A O no hydrogen 3.085 N/A ILE 58.A N ILE 136.A O no hydrogen 3.011 N/A THR 59.A N GLU 75.A OE2 no hydrogen 2.953 N/A THR 59.A OG1 GLU 75.A OE2 no hydrogen 3.284 N/A LYS 61.A N LEU 73.A O no hydrogen 2.663 N/A LYS 61.A NZ GLU 31.A OE1 no hydrogen 3.078 N/A VAL 63.A N TRP 2.A O no hydrogen 2.949 N/A CYS 64.A N CYS 71.A O no hydrogen 2.935 N/A CYS 64.A SG VAL 4.A O no hydrogen 3.448 N/A CYS 64.A SG CYS 69.A O no hydrogen 3.754 N/A THR 65.A OG1 GLU 3.A OE1 no hydrogen 2.824 N/A CYS 69.A N GLN 66.A O no hydrogen 2.824 N/A CYS 71.A N CYS 64.A O no hydrogen 3.346 N/A CYS 71.A SG CYS 69.A O no hydrogen 3.452 N/A ILE 72.A N LYS 36.A O no hydrogen 2.898 N/A LEU 73.A N GLY 62.A O no hydrogen 2.867 N/A MET 74.A N ALA 34.A O no hydrogen 2.818 N/A GLU 75.A N THR 59.A O no hydrogen 3.075 N/A GLN 79.A N ILE 128.A O no hydrogen 2.979 N/A GLN 79.A NE2 THR 129.A O no hydrogen 2.749 N/A GLN 79.A NE2 TYR 130.A O no hydrogen 3.622 N/A GLN 79.A NE2 ASP 132.A OD1 no hydrogen 2.692 N/A GLY 80.A N CYS 77.A O no hydrogen 3.087 N/A LEU 82.A N MET 126.A O no hydrogen 2.771 N/A TYR 83.A N SER 123.A O no hydrogen 3.315 N/A VAL 85.A N GLN 81.A O no hydrogen 3.136 N/A LEU 86.A N LEU 82.A O no hydrogen 2.948 N/A ARG 87.A N TYR 83.A O no hydrogen 2.987 N/A ALA 88.A N GLU 84.A O no hydrogen 2.877 N/A GLY 89.A N LEU 86.A O no hydrogen 2.975 N/A ARG 90.A N VAL 85.A O no hydrogen 3.295 N/A ARG 90.A NH1 ASP 132.A OD1 no hydrogen 3.328 N/A ARG 90.A NH1 ASP 132.A OD2 no hydrogen 2.764 N/A ARG 90.A NH2 ASP 132.A OD1 no hydrogen 2.972 N/A LEU 96.A N THR 93.A OG1 no hydrogen 3.161 N/A LEU 97.A N THR 93.A O no hydrogen 2.878 N/A VAL 98.A N PRO 94.A O no hydrogen 3.072 N/A ASP 99.A N SER 95.A O no hydrogen 2.929 N/A TRP 100.A N LEU 96.A O no hydrogen 2.783 N/A TRP 100.A NE1 ASP 132.A O no hydrogen 2.754 N/A SER 101.A N LEU 97.A O no hydrogen 2.937 N/A SER 101.A OG LEU 97.A O no hydrogen 2.695 N/A SER 101.A OG VAL 98.A O no hydrogen 3.353 N/A MET 102.A N VAL 98.A O no hydrogen 2.868 N/A GLY 103.A N ASP 99.A O no hydrogen 2.913 N/A ILE 104.A N TRP 100.A O no hydrogen 3.045 N/A ALA 105.A N SER 101.A O no hydrogen 2.960 N/A GLY 106.A N MET 102.A O no hydrogen 2.856 N/A GLY 107.A N GLY 103.A O no hydrogen 3.032 N/A MET 108.A N ILE 104.A O no hydrogen 2.867 N/A ASN 109.A N ALA 105.A O no hydrogen 2.880 N/A TYR 110.A N GLY 106.A O no hydrogen 3.047 N/A LEU 111.A N GLY 107.A O no hydrogen 3.077 N/A HIS 112.A N MET 108.A O no hydrogen 2.873 N/A HIS 112.A NE2 ASP 163.A OD2 no hydrogen 2.716 N/A LEU 113.A N ASN 109.A O no hydrogen 2.978 N/A HIS 114.A N TYR 110.A O no hydrogen 3.304 N/A HIS 114.A N LEU 111.A O no hydrogen 3.051 N/A HIS 114.A ND1 TYR 110.A O no hydrogen 2.738 N/A LYS 115.A N HIS 112.A O no hydrogen 2.942 N/A ILE 116.A N LEU 111.A O no hydrogen 2.978 N/A HIS 118.A N ASP 163.A OD2 no hydrogen 2.759 N/A HIS 118.A NE2 SER 137.A O no hydrogen 2.849 N/A ARG 119.A N ASP 163.A OD1 no hydrogen 2.918 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 3.102 N/A LYS 122.A N ASN 125.A OD1.B no hydrogen 3.167 N/A LYS 122.A NZ ASP 120.A OD1 no hydrogen 3.455 N/A LYS 122.A NZ ASP 120.A OD2 no hydrogen 3.215 N/A SER 123.A OG GLU 173.A OE1 no hydrogen 2.681 N/A SER 123.A OG GLU 173.A OE2 no hydrogen 3.335 N/A ASN 125.A N.A LYS 122.A O no hydrogen 2.973 N/A ASN 125.A N.B LYS 122.A O no hydrogen 3.015 N/A ASN 125.A ND2.A ASP 120.A O no hydrogen 2.994 N/A ASN 125.A ND2.A ASP 120.A OD2 no hydrogen 3.232 N/A ASN 125.A ND2.B ASP 120.A O no hydrogen 2.656 N/A ASN 125.A ND2.B ASP 138.A OD2 no hydrogen 3.533 N/A MET 126.A N SER 123.A O no hydrogen 3.207 N/A LEU 127.A N LYS 135.A O no hydrogen 2.819 N/A ILE 128.A N GLY 80.A O no hydrogen 2.869 N/A THR 129.A N VAL 133.A O no hydrogen 2.967 N/A THR 129.A OG1 ASP 131.A OD1 no hydrogen 2.673 N/A THR 129.A OG1 VAL 133.A O no hydrogen 3.432 N/A ASP 132.A N THR 129.A O no hydrogen 3.108 N/A VAL 133.A N THR 129.A OG1 no hydrogen 2.794 N/A LYS 135.A N LEU 127.A O no hydrogen 2.713 N/A LYS 135.A NZ PRO 55.A O no hydrogen 2.725 N/A ILE 136.A N ASN 56.A O no hydrogen 2.849 N/A SER 137.A N ASN 125.A O.A no hydrogen 3.064 N/A SER 137.A N ASN 125.A O.B no hydrogen 3.118 N/A SER 137.A OG GLN 20.A OE1 no hydrogen 2.688 N/A SER 137.A OG ASN 125.A O.A no hydrogen 2.701 N/A SER 137.A OG ASN 125.A O.B no hydrogen 2.580 N/A VAL 145.A N ALA 142.A O no hydrogen 3.380 N/A TRP 147.A N THR 144.A O no hydrogen 3.469 N/A TRP 147.A NE1 GLU 173.A OE2 no hydrogen 2.692 N/A MET 148.A N VAL 145.A O no hydrogen 2.972 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.811 N/A VAL 152.A N ALA 149.A O no hydrogen 2.907 N/A ILE 153.A N ALA 149.A O no hydrogen 3.099 N/A ARG 154.A N PRO 150.A O no hydrogen 2.979 N/A ARG 154.A NE GLU 156.A OE1 no hydrogen 2.880 N/A ARG 154.A NE GLU 156.A OE2 no hydrogen 3.392 N/A ARG 154.A NH1 GLY 194.A O no hydrogen 2.905 N/A ARG 154.A NH1 ASN 196.A OD1 no hydrogen 2.969 N/A ARG 154.A NH2 GLU 156.A OE2 no hydrogen 2.795 N/A ASN 155.A N VAL 152.A O no hydrogen 3.041 N/A GLU 156.A N GLU 151.A O no hydrogen 2.877 N/A LYS 161.A N SER 159.A OG no hydrogen 3.091 N/A LYS 161.A NZ ARG 225.A O no hydrogen 2.637 N/A VAL 162.A N SER 159.A O no hydrogen 3.281 N/A ASP 163.A N GLU 160.A O no hydrogen 3.079 N/A ILE 164.A N LYS 161.A O no hydrogen 3.276 N/A TRP 165.A N LYS 161.A O no hydrogen 3.403 N/A SER 166.A N VAL 162.A O no hydrogen 3.148 N/A SER 166.A OG TRP 147.A O no hydrogen 2.766 N/A SER 166.A OG VAL 162.A O no hydrogen 3.092 N/A PHE 167.A N ASP 163.A O no hydrogen 2.883 N/A GLY 168.A N ILE 164.A O no hydrogen 2.997 N/A VAL 169.A N TRP 165.A O no hydrogen 3.200 N/A VAL 170.A N SER 166.A O no hydrogen 3.063 N/A LEU 171.A N PHE 167.A O no hydrogen 2.773 N/A TRP 172.A N GLY 168.A O no hydrogen 3.062 N/A TRP 172.A NE1 PRO 201.A O no hydrogen 2.865 N/A GLU 173.A N VAL 169.A O no hydrogen 2.945 N/A LEU 174.A N VAL 170.A O no hydrogen 2.993 N/A LEU 175.A N LEU 171.A O no hydrogen 2.926 N/A THR 176.A N TRP 172.A O no hydrogen 2.943 N/A THR 176.A OG1 TRP 172.A O no hydrogen 2.735 N/A GLY 177.A N GLU 173.A O no hydrogen 2.748 N/A GLU 178.A N THR 176.A OG1 no hydrogen 3.079 N/A ILE 179.A N GLU 178.A OE2 no hydrogen 3.133 N/A LYS 182.A N ILE 179.A O no hydrogen 3.324 N/A VAL 184.A N TYR 181.A O no hydrogen 2.974 N/A ILE 189.A N ASP 185.A O no hydrogen 3.128 N/A ILE 190.A N SER 186.A O no hydrogen 2.915 N/A TRP 191.A N SER 187.A O no hydrogen 2.897 N/A GLY 192.A N ALA 188.A O no hydrogen 3.101 N/A VAL 193.A N ILE 189.A O no hydrogen 2.802 N/A GLY 194.A N ILE 190.A O no hydrogen 2.879 N/A SER 195.A N TRP 191.A O no hydrogen 2.964 N/A SER 195.A N GLY 192.A O no hydrogen 3.294 N/A SER 195.A OG TRP 191.A O no hydrogen 2.636 N/A SER 195.A OG GLY 192.A O no hydrogen 3.012 N/A SER 195.A OG SER 197.A OG.A no hydrogen 3.169 N/A ASN 196.A N VAL 193.A O no hydrogen 3.047 N/A SER 197.A N.A GLY 192.A O no hydrogen 3.167 N/A SER 197.A N.B GLY 192.A O no hydrogen 3.170 N/A SER 197.A OG.A GLY 192.A O no hydrogen 3.490 N/A SER 197.A OG.A SER 195.A OG no hydrogen 3.169 N/A SER 197.A OG.B SER 195.A O no hydrogen 2.840 N/A HIS 199.A ND1 LEU 200.A O no hydrogen 2.758 N/A SER 204.A N GLU 260.A OE2 no hydrogen 2.799 N/A SER 204.A OG GLU 260.A OE1 no hydrogen 3.124 N/A CYS 206.A N.A PRO 203.A O no hydrogen 3.387 N/A CYS 206.A N.B PRO 203.A O no hydrogen 3.386 N/A CYS 206.A SG.A PRO 207.A O no hydrogen 3.879 N/A PHE 210.A N PRO 207.A O no hydrogen 2.932 N/A LYS 211.A N PRO 207.A O no hydrogen 2.989 N/A LYS 211.A NZ SER 204.A O no hydrogen 2.756 N/A ILE 212.A N ASP 208.A O no hydrogen 2.871 N/A LEU 213.A N GLY 209.A O no hydrogen 3.112 N/A LEU 214.A N PHE 210.A O no hydrogen 3.005 N/A ARG 215.A N LYS 211.A O no hydrogen 3.143 N/A GLN 216.A N ILE 212.A O no hydrogen 2.959 N/A CYS 217.A N LEU 213.A O no hydrogen 2.959 N/A CYS 217.A SG LEU 213.A O no hydrogen 3.269 N/A TRP 218.A N LEU 214.A O no hydrogen 3.021 N/A TRP 218.A N ARG 215.A O no hydrogen 3.171 N/A ASN 219.A N GLN 216.A O no hydrogen 3.235 N/A LYS 221.A N ASN 219.A OD1 no hydrogen 3.167 N/A ASN 224.A N LYS 221.A O no hydrogen 2.899 N/A ARG 225.A N PRO 222.A O no hydrogen 3.058 N/A ARG 225.A NE ASN 219.A O no hydrogen 2.762 N/A ARG 225.A NH1 GLU 151.A OE1 no hydrogen 2.882 N/A ARG 225.A NH1 GLU 151.A OE2 no hydrogen 3.480 N/A ARG 225.A NH1 ASN 219.A O no hydrogen 3.247 N/A ARG 225.A NH1 SER 220.A O no hydrogen 3.427 N/A ARG 225.A NH2 GLU 151.A OE2 no hydrogen 2.819 N/A ARG 225.A NH2 LYS 161.A O no hydrogen 2.886 N/A SER 227.A N GLN 230.A OE1 no hydrogen 2.999 N/A SER 227.A OG GLN 230.A OE1 no hydrogen 3.560 N/A ARG 229.A NH2 ASN 109.A OD1 no hydrogen 2.814 N/A GLN 230.A N SER 227.A OG no hydrogen 3.157 N/A ILE 231.A N SER 227.A O no hydrogen 2.997 N/A LEU 232.A N PHE 228.A O no hydrogen 2.862 N/A LEU 233.A N ARG 229.A O no hydrogen 3.242 N/A HIS 234.A N GLN 230.A O no hydrogen 2.991 N/A HIS 234.A ND1 GLN 230.A O no hydrogen 3.024 N/A LEU 235.A N ILE 231.A O no hydrogen 2.677 N/A ASP 236.A N LEU 232.A O no hydrogen 2.942 N/A ILE 237.A N LEU 233.A O no hydrogen 3.263 N/A ALA 238.A N HIS 234.A O no hydrogen 2.982 N/A SER 239.A N LEU 235.A O no hydrogen 2.731 N/A SER 239.A OG LEU 235.A O no hydrogen 2.613 N/A ALA 240.A N ASP 236.A O no hydrogen 3.429 N/A VAL 242.A N ALA 238.A O no hydrogen 3.344 N/A LEU 243.A N SER 239.A O no hydrogen 3.060 N/A SER 244.A N ASP 241.A O no hydrogen 3.361 N/A SER 244.A OG ASP 241.A O no hydrogen 2.765 N/A THR 245.A N VAL 242.A O no hydrogen 3.102 N/A THR 245.A OG1 ASP 241.A O no hydrogen 3.543 N/A TYR 250.A N PRO 246.A O no hydrogen 2.832 N/A PHE 251.A N GLN 247.A O no hydrogen 2.855 N/A LYS 252.A N GLU 248.A O no hydrogen 3.330 N/A SER 253.A N THR 249.A O no hydrogen 3.125 N/A GLN 254.A N TYR 250.A O no hydrogen 2.863 N/A GLN 254.A NE2 LEU 175.A O no hydrogen 2.791 N/A ALA 255.A N PHE 251.A O no hydrogen 2.893 N/A GLU 256.A N LYS 252.A O no hydrogen 3.435 N/A TRP 257.A N SER 253.A O no hydrogen 3.108 N/A TRP 257.A NE1 SER 205.A OG no hydrogen 2.851 N/A ARG 258.A N GLN 254.A O no hydrogen 3.069 N/A ARG 258.A NH1 THR 176.A O no hydrogen 3.464 N/A ARG 258.A NH1 GLN 254.A OE1 no hydrogen 3.284 N/A GLU 259.A N ALA 255.A O no hydrogen 3.386 N/A GLU 260.A N GLU 256.A O no hydrogen 2.846 N/A VAL 261.A N TRP 257.A O no hydrogen 2.927 N/A LYS 262.A N ARG 258.A O no hydrogen 3.080 N/A LYS 262.A NZ GLU 178.A OE1 no hydrogen 2.819 N/A LEU 263.A N GLU 259.A O no hydrogen 3.072 N/A HIS 264.A N GLU 260.A O no hydrogen 3.041 N/A PHE 265.A N VAL 261.A O no hydrogen 2.812 N/A GLU 266.A N LYS 262.A O no hydrogen 2.928 N/A LYS 267.A N LEU 263.A O no hydrogen 3.334 N/A LYS 267.A N HIS 264.A O no hydrogen 3.297 N/A ILE 268.A N PHE 265.A O no hydrogen 3.081 N/A LYS 269.A N PHE 265.A O no hydrogen 2.876 N/A