Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1exn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N ASP 124.A OD2 no hydrogen 2.708 N/A ASN 2.A N SER 39.A O no hydrogen 2.879 N/A ASN 2.A ND2 TYR 38.A O no hydrogen 2.625 N/A LEU 3.A N HIS 125.A O no hydrogen 2.981 N/A VAL 5.A N ILE 44.A O no hydrogen 2.754 N/A ASP 6.A N ILE 129.A O no hydrogen 3.035 N/A GLY 7.A N LEU 46.A O no hydrogen 2.570 N/A THR 8.A OG1 ASP 48.A OD1 no hydrogen 3.114 N/A ASN 9.A ND2 THR 131.A OG1 no hydrogen 3.053 N/A LEU 10.A N ASP 6.A O no hydrogen 2.961 N/A GLY 11.A N GLY 7.A O no hydrogen 2.862 N/A PHE 12.A N THR 8.A O no hydrogen 2.962 N/A ARG 13.A N ASN 9.A O no hydrogen 3.131 N/A PHE 14.A N LEU 10.A O no hydrogen 3.056 N/A LYS 15.A N GLY 11.A O no hydrogen 2.789 N/A HIS 16.A N PHE 12.A O no hydrogen 2.642 N/A ASN 17.A N ARG 13.A O no hydrogen 2.879 N/A ASN 18.A N PHE 14.A O no hydrogen 3.005 N/A LYS 20.A N ASN 18.A OD1 no hydrogen 2.628 N/A LYS 20.A NZ SER 19.A OG no hydrogen 2.845 N/A LYS 21.A N ASN 18.A OD1 no hydrogen 3.146 N/A LYS 21.A NZ PRO 22.A O no hydrogen 2.714 N/A SER 26.A OG PHE 23.A O no hydrogen 3.069 N/A TYR 27.A N PHE 23.A O no hydrogen 2.884 N/A TYR 27.A OH GLY 7.A O no hydrogen 2.927 N/A SER 29.A N SER 25.A O no hydrogen 2.870 N/A SER 29.A OG SER 25.A O no hydrogen 2.900 N/A THR 30.A N SER 26.A O no hydrogen 2.635 N/A THR 30.A OG1 SER 26.A O no hydrogen 2.734 N/A ILE 31.A N TYR 27.A O no hydrogen 3.225 N/A GLN 32.A N VAL 28.A O no hydrogen 2.985 N/A SER 33.A N SER 29.A O no hydrogen 2.893 N/A LEU 34.A N THR 30.A O no hydrogen 3.061 N/A ALA 35.A N ILE 31.A O no hydrogen 2.924 N/A LYS 36.A N GLN 32.A O no hydrogen 3.120 N/A SER 37.A N SER 33.A O no hydrogen 3.075 N/A TYR 38.A N LEU 34.A O no hydrogen 3.021 N/A TYR 38.A OH GLU 153.A OE2 no hydrogen 2.748 N/A SER 39.A N LYS 36.A O no hydrogen 2.878 N/A ALA 40.A N ALA 35.A O no hydrogen 2.839 N/A ARG 41.A N ASN 2.A O no hydrogen 2.826 N/A ARG 41.A NH2 LEU 122.A O no hydrogen 3.316 N/A THR 42.A N ASN 2.A O no hydrogen 3.405 N/A THR 42.A OG1 TYR 123.A OH no hydrogen 2.702 N/A VAL 45.A N PRO 100.A O no hydrogen 3.030 N/A LEU 46.A N VAL 5.A O no hydrogen 2.966 N/A GLY 47.A N PHE 102.A O no hydrogen 3.118 N/A ASP 48.A N THR 8.A OG1 no hydrogen 2.821 N/A LYS 51.A NZ ASP 67.A OD1 no hydrogen 2.880 N/A LYS 51.A NZ ASP 67.A OD2 no hydrogen 3.214 N/A VAL 53.A N GLY 106.A O no hydrogen 2.793 N/A ARG 55.A N SER 52.A OG no hydrogen 3.331 N/A ARG 55.A NH1 ASP 111.A OD1 no hydrogen 3.088 N/A ARG 55.A NH2 ASP 110.A OD2 no hydrogen 3.539 N/A ARG 55.A NH2 ASP 111.A OD1 no hydrogen 2.970 N/A ARG 55.A NH2 ASP 111.A OD2 no hydrogen 2.725 N/A LEU 56.A N SER 52.A O no hydrogen 3.172 N/A GLU 57.A N VAL 53.A O no hydrogen 3.006 N/A GLU 57.A N PHE 54.A O no hydrogen 3.246 N/A HIS 58.A N PHE 54.A O no hydrogen 3.319 N/A HIS 58.A ND1 PHE 54.A O no hydrogen 3.214 N/A TYR 62.A N LEU 59.A O no hydrogen 2.947 N/A TYR 62.A OH GLU 108.A OE1 no hydrogen 3.232 N/A TYR 62.A OH GLU 108.A OE2 no hydrogen 3.089 N/A TYR 62.A OH ASP 181.A OD2 no hydrogen 2.990 N/A LYS 63.A N ASP 181.A O no hydrogen 2.943 N/A LYS 63.A NZ GLU 108.A OE1 no hydrogen 2.773 N/A GLY 64.A N GLU 61.A O no hydrogen 3.049 N/A ASN 65.A ND2 GLY 180.A O no hydrogen 3.340 N/A ARG 66.A N LYS 63.A O no hydrogen 2.880 N/A ARG 66.A NE GLY 180.A O no hydrogen 3.114 N/A ARG 66.A NH2 GLY 180.A O no hydrogen 3.365 N/A ASP 67.A N GLY 64.A O no hydrogen 3.085 N/A GLU 68.A N GLY 64.A O no hydrogen 3.258 N/A LYS 69.A N ASN 65.A O no hydrogen 2.855 N/A TYR 70.A N ASP 67.A O no hydrogen 2.892 N/A TYR 70.A OH GLU 82.A OE2 no hydrogen 2.625 N/A ALA 71.A N ASP 67.A O no hydrogen 2.869 N/A GLN 72.A N GLU 68.A O no hydrogen 3.196 N/A ARG 73.A N TYR 70.A O no hydrogen 3.011 N/A ARG 73.A NH1 ASP 81.A OD1 no hydrogen 3.351 N/A THR 74.A N GLU 77.A OE1 no hydrogen 2.795 N/A GLU 77.A N THR 74.A OG1 no hydrogen 3.195 N/A LYS 78.A N THR 74.A O no hydrogen 2.807 N/A LYS 78.A NZ ALA 71.A O no hydrogen 3.234 N/A LYS 78.A NZ ARG 73.A O no hydrogen 2.491 N/A ALA 79.A N GLU 75.A O no hydrogen 3.198 N/A LEU 80.A N GLU 76.A O no hydrogen 3.063 N/A ASP 81.A N GLU 77.A O no hydrogen 2.892 N/A GLU 82.A N LYS 78.A O no hydrogen 2.959 N/A GLN 83.A N ALA 79.A O no hydrogen 2.945 N/A PHE 84.A N LEU 80.A O no hydrogen 3.048 N/A PHE 85.A N ASP 81.A O no hydrogen 3.046 N/A GLU 86.A N GLU 82.A O no hydrogen 2.988 N/A GLU 86.A N GLN 83.A O no hydrogen 2.714 N/A TYR 87.A N GLN 83.A O no hydrogen 3.032 N/A TYR 87.A OH LYS 20.A O no hydrogen 3.206 N/A LEU 88.A N PHE 84.A O no hydrogen 2.933 N/A LYS 89.A N PHE 85.A O no hydrogen 3.135 N/A ASP 90.A N GLU 86.A O no hydrogen 2.983 N/A ALA 91.A N TYR 87.A O no hydrogen 2.902 N/A PHE 92.A N LEU 88.A O no hydrogen 2.738 N/A GLU 93.A N LYS 89.A O no hydrogen 2.907 N/A LEU 94.A N ASP 90.A O no hydrogen 2.932 N/A CYS 95.A N ALA 91.A O no hydrogen 3.044 N/A LYS 96.A N PHE 92.A O no hydrogen 3.382 N/A THR 97.A N LEU 94.A O no hydrogen 3.078 N/A THR 97.A OG1 LEU 94.A O no hydrogen 2.669 N/A THR 97.A OG1 THR 98.A OG1 no hydrogen 3.077 N/A THR 98.A N CYS 95.A O no hydrogen 2.694 N/A THR 98.A OG1 THR 97.A OG1 no hydrogen 3.077 N/A PHE 99.A N CYS 95.A O no hydrogen 2.709 N/A THR 101.A OG1 PHE 99.A O no hydrogen 2.759 N/A PHE 102.A N VAL 45.A O no hydrogen 3.005 N/A GLY 106.A N LYS 49.A O no hydrogen 2.904 N/A VAL 107.A N ILE 104.A O no hydrogen 3.085 N/A ALA 109.A N ASP 48.A OD2 no hydrogen 3.116 N/A ASP 111.A N GLU 108.A O no hydrogen 3.099 N/A ALA 113.A N ASP 110.A O no hydrogen 3.009 N/A TYR 114.A N ASP 111.A O no hydrogen 3.286 N/A TYR 114.A OH THR 259.A OG1 no hydrogen 3.224 N/A VAL 116.A N ALA 112.A O no hydrogen 3.037 N/A LYS 117.A N ALA 113.A O no hydrogen 3.037 N/A LEU 118.A N TYR 114.A O no hydrogen 2.714 N/A ILE 119.A N ILE 115.A O no hydrogen 2.695 N/A GLY 120.A N VAL 116.A O no hydrogen 2.594 N/A LEU 122.A N ILE 119.A O no hydrogen 2.812 N/A TYR 123.A OH THR 42.A OG1 no hydrogen 2.702 N/A ASP 124.A N ARG 1.A O no hydrogen 3.254 N/A HIS 125.A NE2 SER 144.A OG no hydrogen 2.562 N/A VAL 126.A N LYS 142.A O no hydrogen 2.859 N/A TRP 127.A N LEU 3.A O no hydrogen 2.599 N/A LEU 128.A N SER 144.A O no hydrogen 2.868 N/A ILE 129.A N ILE 4.A O no hydrogen 2.834 N/A SER 130.A OG ASP 6.A OD2 no hydrogen 2.522 N/A THR 131.A N ASN 9.A OD1 no hydrogen 2.984 N/A THR 131.A OG1 ASN 9.A OD1 no hydrogen 3.237 N/A ASP 132.A N SER 130.A OG no hydrogen 2.922 N/A TRP 135.A N ASP 132.A O no hydrogen 3.210 N/A ASP 136.A N GLY 133.A O no hydrogen 2.860 N/A THR 137.A N ASP 134.A O no hydrogen 3.427 N/A THR 137.A OG1 ASP 134.A O no hydrogen 2.677 N/A LEU 138.A N TRP 135.A O no hydrogen 3.005 N/A LEU 139.A N ASP 136.A O no hydrogen 3.355 N/A THR 140.A N VAL 143.A O no hydrogen 3.067 N/A LYS 142.A N THR 140.A OG1 no hydrogen 2.978 N/A SER 144.A N VAL 126.A O no hydrogen 3.110 N/A SER 144.A OG HIS 125.A NE2 no hydrogen 2.562 N/A SER 144.A OG HIS 155.A ND1 no hydrogen 2.613 N/A ARG 145.A N TYR 154.A O no hydrogen 2.867 N/A ARG 145.A NE SER 130.A O no hydrogen 2.731 N/A ARG 145.A NH1 ASP 136.A OD1 no hydrogen 2.968 N/A PHE 146.A N LEU 128.A O no hydrogen 2.727 N/A SER 147.A N ARG 152.A O no hydrogen 2.949 N/A THR 150.A OG1 SER 147.A O no hydrogen 3.522 N/A THR 150.A OG1 TYR 154.A OH no hydrogen 2.736 N/A ARG 152.A N SER 147.A O no hydrogen 3.095 N/A TYR 154.A N ARG 145.A O no hydrogen 2.718 N/A TYR 154.A OH THR 150.A OG1 no hydrogen 2.736 N/A HIS 155.A N ASP 158.A OD2 no hydrogen 3.459 N/A ASP 158.A N HIS 155.A O no hydrogen 3.100 N/A TYR 159.A N VAL 164.A O no hydrogen 2.855 N/A HIS 161.A N ASP 158.A O no hydrogen 3.381 N/A HIS 162.A NE2 ASP 136.A OD2 no hydrogen 2.678 N/A ASN 163.A N TYR 159.A O no hydrogen 2.715 N/A ASN 163.A ND2 ASN 163.A O no hydrogen 2.677 N/A ASP 165.A N GLN 169.A OE1 no hydrogen 2.626 N/A GLN 169.A N ASP 166.A OD1 no hydrogen 2.840 N/A GLN 169.A NE2 ASP 165.A OD2 no hydrogen 3.441 N/A PHE 170.A N ASP 166.A O no hydrogen 2.951 N/A ILE 171.A N VAL 167.A O no hydrogen 2.964 N/A SER 172.A N GLU 168.A O no hydrogen 2.982 N/A SER 172.A OG GLU 168.A O no hydrogen 3.112 N/A LEU 173.A N GLN 169.A O no hydrogen 2.766 N/A LYS 174.A N PHE 170.A O no hydrogen 2.914 N/A ALA 175.A N ILE 171.A O no hydrogen 2.938 N/A ILE 176.A N SER 172.A O no hydrogen 2.919 N/A ASP 178.A N ILE 183.A O no hydrogen 2.882 N/A ASP 181.A N ASP 178.A O no hydrogen 3.190 N/A ASP 181.A N ASP 178.A OD1 no hydrogen 3.267 N/A ASN 182.A N LEU 179.A O no hydrogen 2.867 N/A ASN 182.A ND2 GLU 61.A O no hydrogen 2.838 N/A ILE 183.A N ASP 178.A O no hydrogen 2.813 N/A VAL 186.A N ILE 176.A O no hydrogen 2.860 N/A ILE 189.A N VAL 186.A O no hydrogen 3.300 N/A ARG 193.A NH1 GLY 188.A O no hydrogen 2.732 N/A GLY 194.A N GLY 190.A O no hydrogen 2.689 N/A TYR 195.A N ALA 191.A O no hydrogen 2.890 N/A TYR 195.A OH ASP 165.A OD2 no hydrogen 2.851 N/A ASN 196.A N LYS 192.A O no hydrogen 3.050 N/A ASN 196.A ND2 LYS 192.A O no hydrogen 2.906 N/A ILE 197.A N ARG 193.A O no hydrogen 3.254 N/A ILE 197.A N GLY 194.A O no hydrogen 3.048 N/A ILE 198.A N GLY 194.A O no hydrogen 2.989 N/A ARG 199.A N TYR 195.A O no hydrogen 2.788 N/A ARG 199.A NE TYR 195.A OH no hydrogen 3.337 N/A GLU 200.A N ASN 196.A O no hydrogen 3.367 N/A PHE 201.A N ILE 197.A O no hydrogen 2.777 N/A GLY 202.A N ILE 198.A O no hydrogen 2.617 N/A ASN 203.A N ASP 206.A OD2 no hydrogen 3.309 N/A VAL 204.A N SER 172.A OG no hydrogen 3.080 N/A ILE 207.A N ASN 203.A O no hydrogen 2.875 N/A ILE 208.A N VAL 204.A O no hydrogen 2.828 N/A ASP 209.A N LEU 205.A O no hydrogen 3.156 N/A GLN 210.A N ASP 206.A O no hydrogen 3.251 N/A GLN 210.A NE2 PHE 201.A O no hydrogen 2.825 N/A GLN 210.A NE2 ASP 206.A O no hydrogen 3.120 N/A LEU 211.A N ILE 208.A O no hydrogen 3.381 N/A LEU 213.A N ASN 224.A OD1 no hydrogen 2.845 N/A ILE 220.A N GLN 217.A O no hydrogen 2.860 N/A GLN 221.A N GLN 217.A O no hydrogen 2.858 N/A ASN 222.A N LYS 218.A O no hydrogen 2.768 N/A ASN 222.A ND2 GLU 187.A O no hydrogen 2.707 N/A ASN 222.A ND2 GLU 187.A OE1 no hydrogen 2.810 N/A LEU 223.A N TYR 219.A O no hydrogen 3.021 N/A ASN 224.A N ILE 220.A O no hydrogen 2.774 N/A ASN 224.A ND2 LEU 213.A O no hydrogen 3.266 N/A ALA 225.A N ASN 222.A O no hydrogen 3.094 N/A SER 226.A N LEU 223.A O no hydrogen 3.199 N/A SER 226.A OG ASN 222.A O no hydrogen 2.795 N/A LEU 230.A N SER 226.A O no hydrogen 2.918 N/A PHE 231.A N GLU 227.A O no hydrogen 3.111 N/A ARG 232.A N GLU 228.A O no hydrogen 3.098 N/A ASN 233.A N LEU 229.A O no hydrogen 2.894 N/A ASN 233.A ND2 ALA 175.A O no hydrogen 2.831 N/A ASN 233.A ND2 ARG 184.A O no hydrogen 2.809 N/A LEU 234.A N LEU 230.A O no hydrogen 3.006 N/A ILE 235.A N ARG 232.A O no hydrogen 3.258 N/A LEU 236.A N ARG 232.A O no hydrogen 3.418 N/A VAL 237.A N ASN 233.A O no hydrogen 2.796 N/A ASP 238.A N LEU 234.A O no hydrogen 2.871 N/A LEU 239.A N VAL 237.A O no hydrogen 2.764 N/A THR 241.A N ASP 238.A O no hydrogen 3.272 N/A THR 241.A N ASP 238.A OD1 no hydrogen 3.223 N/A THR 241.A OG1 ASP 238.A OD1 no hydrogen 3.174 N/A TYR 242.A N ASP 238.A O no hydrogen 3.115 N/A CYS 243.A SG PRO 240.A O no hydrogen 3.857 N/A ALA 246.A N TYR 242.A O no hydrogen 2.739 N/A ILE 247.A N CYS 243.A O no hydrogen 2.905 N/A ILE 247.A N VAL 244.A O no hydrogen 3.065 N/A ALA 248.A N VAL 244.A O no hydrogen 2.956 N/A VAL 250.A N ILE 247.A O no hydrogen 3.379 N/A GLY 251.A N ALA 248.A O no hydrogen 2.870 N/A LEU 255.A N GLY 251.A O no hydrogen 3.091 N/A ASP 256.A N GLN 252.A O no hydrogen 3.007 N/A LYS 257.A N ASP 253.A O no hydrogen 3.042 N/A PHE 258.A N VAL 254.A O no hydrogen 2.887 N/A THR 259.A N LEU 255.A O no hydrogen 3.060 N/A THR 259.A OG1 TYR 114.A OH no hydrogen 3.224 N/A THR 259.A OG1 LEU 255.A O no hydrogen 2.496 N/A LYS 260.A N ASP 256.A O no hydrogen 3.054 N/A ASP 261.A N LYS 257.A O no hydrogen 3.147 N/A ILE 262.A N PHE 258.A O no hydrogen 2.919 N/A LEU 263.A N THR 259.A O no hydrogen 3.071 N/A GLU 264.A N LYS 260.A O no hydrogen 3.017 N/A ILE 265.A N ASP 261.A O no hydrogen 3.220 N/A ILE 265.A N ILE 262.A O no hydrogen 2.887 N/A ALA 266.A N ILE 262.A O no hydrogen 2.904 N/A