Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1can_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N HIS 9.A O no hydrogen 3.093 N/A SER 1.A OG HIS 2.A O no hydrogen 2.235 N/A SER 1.A OG ASP 18.A OD2 no hydrogen 2.580 N/A HIS 3.A ND1.B SER 1.A OG no hydrogen 3.061 N/A HIS 3.A ND1.B HIS 2.A O no hydrogen 2.966 N/A GLY 5.A N ASN 10.A O no hydrogen 2.904 N/A GLY 7.A N ASN 10.A OD1 no hydrogen 2.652 N/A ASN 10.A N GLY 7.A O no hydrogen 3.300 N/A ASN 10.A ND2 HIS 3.A O no hydrogen 3.172 N/A GLU 13.A N GLU 13.A OE1.A no hydrogen 2.838 N/A HIS 14.A N GLY 11.A O no hydrogen 2.758 N/A TRP 15.A N PRO 12.A O no hydrogen 3.193 N/A TRP 15.A NE1 GLY 5.A O no hydrogen 3.093 N/A TRP 15.A NE1 ASN 10.A O no hydrogen 3.142 N/A LYS 17.A N HIS 14.A O no hydrogen 3.158 N/A LYS 17.A NZ HIS 14.A ND1 no hydrogen 2.678 N/A ASP 18.A N TRP 15.A O no hydrogen 3.091 N/A PHE 19.A N TRP 15.A O no hydrogen 2.797 N/A ALA 22.A N PHE 19.A O no hydrogen 2.856 N/A LYS 23.A N PRO 20.A O no hydrogen 3.116 N/A GLY 24.A N ILE 21.A O no hydrogen 2.793 N/A ARG 26.A N GLU 203.A OE2 no hydrogen 2.935 N/A ARG 26.A NE GLY 194.A O no hydrogen 2.918 N/A ARG 26.A NH1 PRO 136.A O no hydrogen 3.482 N/A ARG 26.A NH2 PRO 136.A O no hydrogen 3.036 N/A ARG 26.A NH2 GLY 194.A O no hydrogen 3.228 N/A ARG 26.A NH2 VAL 205.A O no hydrogen 3.087 N/A GLN 27.A NE2 LEU 201.A O no hydrogen 3.132 N/A GLN 27.A NE2 GLU 203.A OE2 no hydrogen 2.979 N/A SER 28.A N SER 195.A OG no hydrogen 2.933 N/A SER 28.A OG TYR 192.A OH no hydrogen 2.689 N/A ILE 32.A N THR 107.A O no hydrogen 2.784 N/A THR 34.A N ASP 109.A OD1 no hydrogen 2.850 N/A THR 34.A OG1 ASP 109.A OD1 no hydrogen 3.266 N/A THR 34.A OG1 ASP 109.A OD2 no hydrogen 2.546 N/A HIS 35.A N ASP 33.A OD1 no hydrogen 3.229 N/A THR 36.A N ASP 33.A O no hydrogen 3.202 N/A THR 36.A OG1 ASP 33.A OD2 no hydrogen 3.337 N/A ALA 37.A N ASP 33.A O no hydrogen 3.088 N/A LYS 38.A N ILE 254.A O no hydrogen 3.069 N/A ASP 40.A N ALA 256.A O no hydrogen 2.926 N/A SER 42.A N ASP 40.A OD1 no hydrogen 2.782 N/A SER 42.A OG ASP 40.A OD1 no hydrogen 2.973 N/A LEU 43.A N ASP 40.A O no hydrogen 3.010 N/A SER 47.A N LYS 79.A O no hydrogen 2.788 N/A SER 49.A N VAL 77.A O no hydrogen 2.776 N/A TYR 50.A OH HIS 121.A NE2 no hydrogen 2.724 N/A ALA 53.A N TYR 50.A O no hydrogen 3.243 N/A SER 55.A OG PHE 174.A O no hydrogen 2.736 N/A LEU 56.A N GLU 68.A O no hydrogen 2.769 N/A ARG 57.A NE GLU 68.A OE1 no hydrogen 2.783 N/A ARG 57.A NH2 GLU 68.A OE1 no hydrogen 3.177 N/A ARG 57.A NH2 GLU 68.A OE2 no hydrogen 3.145 N/A ILE 58.A N ALA 172.A O no hydrogen 2.749 N/A LEU 59.A N ASN 66.A O no hydrogen 2.971 N/A ASN 60.A N LYS 170.A O no hydrogen 2.921 N/A ASN 60.A ND2 ILE 165.A O no hydrogen 2.987 N/A ASN 60.A ND2 ASN 228.A O no hydrogen 3.226 N/A ASN 61.A N ALA 64.A O no hydrogen 3.090 N/A ASN 61.A ND2 ASN 66.A OD1 no hydrogen 3.628 N/A GLY 62.A N ASN 60.A OD1 no hydrogen 2.765 N/A HIS 63.A N ASN 61.A OD1 no hydrogen 2.810 N/A ALA 64.A N ASN 61.A OD1 no hydrogen 3.001 N/A ASN 66.A N LEU 59.A O no hydrogen 2.899 N/A VAL 67.A N PHE 92.A O no hydrogen 2.924 N/A GLU 68.A N ARG 57.A O no hydrogen 2.904 N/A PHE 69.A N ILE 90.A O no hydrogen 2.927 N/A ASP 70.A N THR 54.A O no hydrogen 2.851 N/A SER 72.A N ASP 70.A OD1 no hydrogen 2.972 N/A SER 72.A OG ASP 70.A OD1 no hydrogen 2.754 N/A SER 72.A OG ASP 70.A OD2 no hydrogen 3.562 N/A LYS 75.A N GLN 73.A O no hydrogen 2.938 N/A LYS 75.A NZ ASP 70.A OD2 no hydrogen 3.114 N/A VAL 77.A N SER 49.A O no hydrogen 3.004 N/A LEU 78.A N TYR 87.A O no hydrogen 2.746 N/A LYS 79.A N SER 47.A O no hydrogen 2.811 N/A GLY 81.A N PRO 45.A O no hydrogen 2.923 N/A LEU 83.A N GLY 80.A O no hydrogen 2.847 N/A TYR 87.A N LEU 78.A O no hydrogen 3.050 N/A TYR 87.A OH ASP 137.A O no hydrogen 2.916 N/A ARG 88.A N TRP 122.A O no hydrogen 3.014 N/A ARG 88.A NE ASP 74.A OD1 no hydrogen 2.511 N/A ARG 88.A NH1 ASP 71.A O no hydrogen 2.824 N/A ARG 88.A NH2 ASP 74.A OD1 no hydrogen 2.813 N/A LEU 89.A N ALA 76.A O no hydrogen 2.877 N/A ILE 90.A N VAL 120.A O no hydrogen 3.017 N/A PHE 92.A N VAL 67.A O no hydrogen 3.115 N/A HIS 93.A N HIS 118.A O no hydrogen 3.035 N/A HIS 93.A ND1 GLN 91.A OE1 no hydrogen 2.739 N/A HIS 95.A N GLU 116.A O no hydrogen 2.853 N/A HIS 95.A ND1 ASN 242.A O no hydrogen 2.726 N/A TRP 96.A N ASN 242.A OD1 no hydrogen 2.814 N/A TRP 96.A NE1 MET 239.A O no hydrogen 2.882 N/A SER 98.A N ASP 241.A OD1 no hydrogen 2.855 N/A SER 98.A OG ASP 241.A OD1 no hydrogen 3.457 N/A SER 98.A OG ASP 241.A OD2 no hydrogen 2.680 N/A GLN 102.A N LEU 99.A O no hydrogen 3.208 N/A GLN 102.A NE2 ASP 241.A OD1 no hydrogen 2.765 N/A SER 104.A N TYR 113.A O no hydrogen 3.070 N/A SER 104.A OG HIS 106.A O no hydrogen 2.725 N/A GLU 105.A N GLU 116.A OE1 no hydrogen 2.754 N/A HIS 106.A N GLU 116.A OE1 no hydrogen 2.806 N/A HIS 106.A ND1 GLU 116.A OE2 no hydrogen 2.795 N/A HIS 106.A NE2 TYR 192.A OH no hydrogen 2.696 N/A THR 107.A N VAL 30.A O no hydrogen 3.502 N/A THR 107.A OG1 ASP 31.A OD1 no hydrogen 2.480 N/A VAL 108.A N LYS 111.A O no hydrogen 2.965 N/A ASP 109.A N ILE 32.A O no hydrogen 2.730 N/A LYS 110.A N ASP 31.A OD1 no hydrogen 2.804 N/A LYS 111.A N VAL 108.A O no hydrogen 2.917 N/A LYS 111.A NZ LYS 112.A O no hydrogen 3.422 N/A TYR 113.A N SER 104.A OG no hydrogen 3.062 N/A ALA 114.A N LEU 146.A O no hydrogen 3.129 N/A GLU 116.A N HIS 95.A O no hydrogen 2.845 N/A LEU 117.A N ILE 144.A O no hydrogen 2.839 N/A HIS 118.A N HIS 93.A O no hydrogen 2.826 N/A HIS 118.A NE2 GLU 116.A OE2 no hydrogen 2.585 N/A LEU 119.A N LEU 142.A O no hydrogen 3.028 N/A VAL 120.A N GLN 91.A O no hydrogen 2.818 N/A HIS 121.A N ALA 140.A O no hydrogen 2.791 N/A HIS 121.A ND1 ALA 140.A O no hydrogen 3.132 N/A HIS 121.A NE2 TYR 50.A OH no hydrogen 2.724 N/A TRP 122.A N ARG 88.A O no hydrogen 2.988 N/A TRP 122.A NE1 ASP 71.A OD2 no hydrogen 2.790 N/A ASN 123.A N GLY 138.A O no hydrogen 2.772 N/A ASN 123.A ND2 ASP 137.A O no hydrogen 3.279 N/A THR 124.A N THR 86.A O no hydrogen 2.913 N/A THR 124.A OG1 THR 86.A O no hydrogen 3.248 N/A LYS 125.A N ASN 123.A OD1 no hydrogen 3.044 N/A LYS 125.A NZ TYR 126.A OH no hydrogen 3.171 N/A LYS 125.A NZ ASP 137.A OD2 no hydrogen 3.343 N/A TYR 126.A N ASN 123.A O no hydrogen 3.057 N/A TYR 126.A OH ASP 137.A OD1 no hydrogen 2.548 N/A TYR 126.A OH ASP 137.A OD2 no hydrogen 3.379 N/A GLY 127.A N THR 124.A O no hydrogen 3.096 N/A ASP 128.A N TYR 126.A O no hydrogen 2.835 N/A LYS 131.A N ASP 128.A O no hydrogen 3.128 N/A LYS 131.A N ASP 128.A OD1 no hydrogen 3.093 N/A LYS 131.A NZ ASP 128.A OD2 no hydrogen 2.958 N/A ALA 132.A N ASP 128.A O no hydrogen 2.988 N/A VAL 133.A N PHE 129.A O no hydrogen 3.128 N/A GLN 134.A N LYS 131.A O no hydrogen 3.124 N/A GLN 134.A NE2.A GLY 130.A O no hydrogen 3.194 N/A GLN 135.A N ALA 132.A O no hydrogen 3.093 N/A GLY 138.A N GLN 135.A O no hydrogen 3.035 N/A LEU 139.A N CYS 204.A O no hydrogen 2.853 N/A ALA 140.A N HIS 121.A O no hydrogen 2.921 N/A VAL 141.A N THR 206.A O no hydrogen 3.208 N/A LEU 142.A N LEU 119.A O no hydrogen 2.933 N/A GLY 143.A N ILE 208.A O no hydrogen 2.747 N/A ILE 144.A N LEU 117.A O no hydrogen 3.014 N/A LEU 146.A N ALA 115.A O no hydrogen 2.934 N/A LYS 147.A N ILE 214.A O no hydrogen 2.799 N/A LYS 147.A NZ SER 215.A OG no hydrogen 2.597 N/A GLY 149.A N VAL 216.A O no hydrogen 2.810 N/A LYS 152.A N GLN 220.A OE1 no hydrogen 2.829 N/A LEU 155.A N LYS 152.A O no hydrogen 2.983 N/A GLN 156.A N PRO 153.A O no hydrogen 3.031 N/A GLN 156.A NE2 ASP 160.A OD1 no hydrogen 3.157 N/A LYS 157.A NZ ASN 176.A O no hydrogen 3.376 N/A VAL 158.A N LEU 155.A O no hydrogen 2.917 N/A VAL 159.A N LEU 155.A O no hydrogen 3.150 N/A ASP 160.A N GLN 156.A O no hydrogen 2.884 N/A VAL 161.A N VAL 158.A O no hydrogen 3.159 N/A LEU 162.A N VAL 159.A O no hydrogen 3.288 N/A SER 164.A N VAL 161.A O no hydrogen 3.001 N/A SER 164.A OG VAL 161.A O no hydrogen 2.969 N/A ILE 165.A N LEU 162.A O no hydrogen 2.930 N/A LYS 166.A NZ LYS 226.A O no hydrogen 3.443 N/A LYS 168.A N ASN 230.A O no hydrogen 2.922 N/A LYS 168.A NZ ASN 61.A O no hydrogen 2.836 N/A GLY 169.A N ASN 60.A O no hydrogen 2.842 N/A LYS 170.A N THR 167.A O no hydrogen 3.030 N/A LYS 170.A NZ GLU 232.A OE1 no hydrogen 2.886 N/A ALA 172.A N ILE 58.A O no hydrogen 2.937 N/A PHE 174.A N LEU 56.A O no hydrogen 2.902 N/A THR 175.A OG1 ASN 176.A OD1 no hydrogen 3.196 N/A PHE 177.A N SER 55.A OG no hydrogen 3.042 N/A ARG 180.A N ASP 178.A OD1 no hydrogen 2.955 N/A ARG 180.A NE ASP 178.A OD1 no hydrogen 3.176 N/A ARG 180.A NE ASP 178.A OD2 no hydrogen 3.231 N/A ARG 180.A NH2 ASP 178.A OD2 no hydrogen 2.853 N/A GLY 181.A N ASP 178.A O no hydrogen 3.210 N/A LEU 182.A N PRO 179.A O no hydrogen 3.043 N/A LEU 183.A N ARG 180.A O no hydrogen 3.294 N/A GLU 185.A N GLU 212.A OE2 no hydrogen 3.208 N/A SER 186.A N GLU 212.A OE1 no hydrogen 3.046 N/A ASP 188.A N SER 186.A OG no hydrogen 3.084 N/A TYR 189.A N SER 257.A OG no hydrogen 3.008 N/A TYR 189.A OH LYS 44.A O no hydrogen 2.606 N/A TRP 190.A N VAL 209.A O no hydrogen 2.820 N/A THR 191.A N LYS 255.A O no hydrogen 2.898 N/A THR 191.A OG1 TRP 207.A O no hydrogen 2.856 N/A TYR 192.A N TRP 207.A O no hydrogen 3.327 N/A TYR 192.A OH SER 28.A OG no hydrogen 2.689 N/A TYR 192.A OH HIS 106.A NE2 no hydrogen 2.696 N/A GLY 194.A N VAL 205.A O no hydrogen 2.712 N/A SER 195.A N SER 28.A OG no hydrogen 3.022 N/A SER 195.A OG LEU 196.A O no hydrogen 2.766 N/A LEU 196.A N LEU 202.A O no hydrogen 3.054 N/A THR 197.A OG1 GLU 105.A OE1 no hydrogen 2.476 N/A THR 197.A OG1 GLU 105.A OE2 no hydrogen 3.343 N/A LEU 201.A N THR 198.A O no hydrogen 2.747 N/A CYS 204.A N LEU 202.A O no hydrogen 2.923 N/A CYS 204.A SG LEU 202.A O no hydrogen 3.619 N/A VAL 205.A N GLY 194.A O no hydrogen 3.176 N/A THR 206.A N LEU 139.A O no hydrogen 2.957 N/A TRP 207.A N TYR 192.A O no hydrogen 2.920 N/A TRP 207.A NE1 SER 195.A O no hydrogen 3.012 N/A ILE 208.A N VAL 141.A O no hydrogen 2.929 N/A VAL 209.A N TRP 190.A O no hydrogen 2.840 N/A LEU 210.A N GLY 143.A O no hydrogen 2.963 N/A LYS 211.A N ASP 188.A O no hydrogen 3.012 N/A LYS 211.A NZ ASP 188.A OD2 no hydrogen 2.844 N/A ILE 214.A N PHE 145.A O no hydrogen 2.800 N/A VAL 216.A N LYS 147.A O no hydrogen 2.968 N/A SER 217.A N GLN 220.A OE1 no hydrogen 3.132 N/A SER 217.A OG GLU 219.A OE1 no hydrogen 3.380 N/A GLN 220.A N SER 217.A OG no hydrogen 3.147 N/A GLN 220.A NE2 LYS 152.A O no hydrogen 2.957 N/A GLN 220.A NE2 GLN 156.A OE1 no hydrogen 2.938 N/A VAL 221.A N SER 217.A O no hydrogen 2.922 N/A LEU 222.A N SER 218.A O no hydrogen 2.757 N/A LYS 223.A N GLU 219.A O no hydrogen 3.321 N/A PHE 224.A N VAL 221.A O no hydrogen 2.975 N/A ARG 225.A N VAL 221.A O no hydrogen 3.368 N/A ARG 225.A N LEU 222.A O no hydrogen 3.153 N/A ARG 225.A NE GLY 97.A O no hydrogen 2.852 N/A ARG 225.A NH1 ASP 100.A OD1 no hydrogen 3.421 N/A ARG 225.A NH2 ASP 100.A OD1 no hydrogen 2.765 N/A LYS 226.A N LYS 223.A O no hydrogen 3.245 N/A LEU 227.A N PHE 224.A O no hydrogen 3.214 N/A ASN 228.A N LYS 166.A O no hydrogen 2.895 N/A ASN 228.A ND2 GLU 236.A OE2 no hydrogen 2.984 N/A PHE 229.A N GLU 237.A O no hydrogen 2.962 N/A ASN 230.A ND2 ASN 228.A OD1 no hydrogen 3.601 N/A ASN 230.A ND2 GLY 231.A O no hydrogen 3.086 N/A GLY 231.A N GLU 234.A OE1 no hydrogen 2.990 N/A GLU 234.A N GLY 231.A O no hydrogen 3.064 N/A GLU 237.A N ASN 230.A OD1 no hydrogen 2.781 N/A MET 239.A N LEU 227.A O no hydrogen 2.677 N/A ASN 242.A N TRP 96.A O no hydrogen 3.334 N/A ASN 242.A ND2 HIS 63.A O no hydrogen 2.868 N/A TRP 243.A NE1 ASP 241.A OD1 no hydrogen 3.051 N/A ARG 244.A N GLU 105.A OE2 no hydrogen 2.769 N/A ARG 244.A NH1 GLN 27.A OE1 no hydrogen 2.690 N/A ARG 244.A NH1 SER 28.A O no hydrogen 2.862 N/A ARG 244.A NH2 ALA 22.A O no hydrogen 3.290 N/A ARG 244.A NH2 GLN 27.A OE1 no hydrogen 3.374 N/A GLN 247.A N PRO 29.A O no hydrogen 2.762 N/A GLN 247.A NE2 PRO 245.A O no hydrogen 2.773 N/A LYS 250.A NZ GLY 24.A O no hydrogen 3.341 N/A ARG 252.A N LYS 250.A O no hydrogen 2.848 N/A ARG 252.A NE LEU 249.A O no hydrogen 2.884 N/A ARG 252.A NH1 GLN 27.A O no hydrogen 3.001 N/A ARG 252.A NH1 PRO 193.A O no hydrogen 2.780 N/A ARG 252.A NH2 GLN 27.A O no hydrogen 2.694 N/A ARG 252.A NH2 PRO 248.A O no hydrogen 3.012 N/A ARG 252.A NH2 LEU 249.A O no hydrogen 3.526 N/A LYS 255.A N THR 191.A O no hydrogen 2.981 N/A LYS 255.A NZ GLN 253.A OE1 no hydrogen 3.139 N/A ALA 256.A N LYS 38.A O no hydrogen 2.825 N/A SER 257.A N TYR 189.A O no hydrogen 2.842 N/A SER 257.A OG TYR 189.A O no hydrogen 3.474 N/A