Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2o1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 17.A N LYS 14.A O no hydrogen 3.061 N/A CYS 19.A SG GLY 37.A O no hydrogen 2.783 N/A ARG 20.A NE ASP 22.A OD1 no hydrogen 2.831 N/A ARG 20.A NH1 ASP 22.A OD1 no hydrogen 3.556 N/A ARG 20.A NH1 ASP 22.A OD2 no hydrogen 2.900 N/A ARG 20.A NH1 VAL 254.A O no hydrogen 2.949 N/A ARG 20.A NH2 GLU 36.A O no hydrogen 2.996 N/A ASP 22.A N ASP 22.A OD1 no hydrogen 2.581 N/A THR 27.A N ALA 31.A O no hydrogen 2.826 N/A TRP 29.A N THR 27.A OG1 no hydrogen 3.214 N/A TRP 29.A NE1 PRO 234.A O no hydrogen 2.827 N/A LEU 30.A N THR 27.A O no hydrogen 2.927 N/A ALA 31.A N THR 27.A OG1 no hydrogen 3.042 N/A ILE 33.A N VAL 25.A O no hydrogen 2.856 N/A VAL 34.A N VAL 237.A O no hydrogen 2.879 N/A TRP 35.A NE1 LEU 24.A O no hydrogen 2.948 N/A GLU 36.A N GLU 241.A OE1 no hydrogen 2.818 N/A GLU 36.A N GLU 241.A OE2 no hydrogen 3.223 N/A THR 38.A N TRP 35.A O no hydrogen 3.117 N/A THR 38.A OG1 TRP 35.A O no hydrogen 2.706 N/A ILE 43.A N ASN 40.A OD1 no hydrogen 3.147 N/A LEU 44.A N ASN 40.A O no hydrogen 3.272 N/A ASN 45.A N ILE 41.A O no hydrogen 2.736 N/A GLU 46.A N ASP 42.A O no hydrogen 3.173 N/A GLN 47.A N ILE 43.A O no hydrogen 3.044 N/A PHE 48.A N LEU 44.A O no hydrogen 2.929 N/A ARG 49.A N ASN 45.A O no hydrogen 2.780 N/A LEU 50.A N GLU 46.A O no hydrogen 3.033 N/A GLN 51.A N PHE 48.A O no hydrogen 3.202 N/A ASN 52.A N ARG 49.A O no hydrogen 2.799 N/A THR 53.A N PHE 48.A O no hydrogen 3.235 N/A THR 53.A OG1 PHE 48.A O no hydrogen 2.820 N/A THR 54.A N ASP 124.A OD2 no hydrogen 2.862 N/A ILE 55.A N ARG 85.A O no hydrogen 2.863 N/A GLY 56.A N TYR 125.A O no hydrogen 2.703 N/A LEU 57.A N HIS 87.A O no hydrogen 2.875 N/A THR 58.A N VAL 127.A O no hydrogen 2.801 N/A THR 58.A OG1 VAL 127.A O no hydrogen 3.436 N/A VAL 59.A N TYR 89.A O no hydrogen 3.070 N/A ALA 61.A N PHE 91.A O no hydrogen 2.625 N/A LYS 63.A N ASP 93.A OD1 no hydrogen 3.098 N/A LYS 63.A N ASP 93.A OD2 no hydrogen 3.214 N/A TYR 65.A N ILE 62.A O no hydrogen 3.026 N/A VAL 66.A N LYS 63.A O no hydrogen 3.339 N/A ALA 67.A N LYS 64.A O no hydrogen 3.259 N/A PHE 68.A N TYR 65.A O no hydrogen 2.989 N/A LEU 69.A N VAL 66.A O no hydrogen 3.202 N/A LYS 70.A NZ GLU 74.A OE2 no hydrogen 2.726 N/A PHE 72.A N PHE 68.A O no hydrogen 3.129 N/A LEU 73.A N LEU 69.A O no hydrogen 2.854 N/A GLU 74.A N LYS 70.A O no hydrogen 2.946 N/A THR 75.A N LEU 71.A O no hydrogen 2.988 N/A THR 75.A OG1 LEU 71.A O no hydrogen 2.831 N/A THR 75.A OG1 PHE 72.A O no hydrogen 3.170 N/A ALA 76.A N PHE 72.A O no hydrogen 2.930 N/A GLU 77.A N LEU 73.A O no hydrogen 3.010 N/A LYS 78.A N THR 75.A O no hydrogen 3.088 N/A HIS 79.A N ALA 76.A O no hydrogen 3.228 N/A PHE 80.A N ALA 76.A O no hydrogen 2.780 N/A MET 81.A N VAL 139.A O no hydrogen 2.857 N/A HIS 84.A N MET 81.A O no hydrogen 2.998 N/A HIS 84.A NE2 ASN 45.A OD1 no hydrogen 2.894 N/A VAL 86.A N GLY 106.A O no hydrogen 3.312 N/A HIS 87.A N ILE 55.A O no hydrogen 2.970 N/A HIS 87.A NE2 SER 110.A OG no hydrogen 2.646 N/A TYR 88.A N GLN 108.A O no hydrogen 2.746 N/A TYR 88.A OH GLU 77.A OE2 no hydrogen 2.541 N/A TYR 89.A N LEU 57.A O no hydrogen 2.825 N/A TYR 89.A OH GLU 122.A OE1 no hydrogen 2.522 N/A VAL 90.A N SER 110.A O no hydrogen 2.906 N/A PHE 91.A N VAL 59.A O no hydrogen 2.832 N/A THR 92.A N LEU 112.A O no hydrogen 3.051 N/A THR 92.A OG1 ALA 61.A O no hydrogen 2.643 N/A GLN 94.A N THR 92.A OG1 no hydrogen 3.086 N/A ALA 97.A N GLN 94.A O no hydrogen 2.915 N/A GLY 104.A N GLU 77.A OE1 no hydrogen 2.667 N/A ARG 107.A N GLY 104.A O no hydrogen 3.292 N/A ARG 107.A NE GLU 77.A OE2 no hydrogen 2.796 N/A ARG 107.A NH1 GLU 77.A OE2 no hydrogen 3.553 N/A ARG 107.A NH1 PHE 80.A O no hydrogen 2.757 N/A ARG 107.A NH1 TYR 88.A OH no hydrogen 2.857 N/A ARG 107.A NH2 PHE 80.A O no hydrogen 2.919 N/A ARG 107.A NH2 MET 81.A O no hydrogen 3.338 N/A GLN 108.A N VAL 86.A O no hydrogen 2.854 N/A SER 110.A N TYR 88.A O no hydrogen 2.786 N/A SER 110.A OG HIS 87.A NE2 no hydrogen 2.646 N/A LEU 112.A N VAL 90.A O no hydrogen 2.870 N/A VAL 114.A N THR 92.A O no hydrogen 2.982 N/A ARG 118.A N CYS 115.A O no hydrogen 2.921 N/A PHE 119.A N GLU 116.A O no hydrogen 3.053 N/A SER 121.A N ARG 117.A O no hydrogen 3.285 N/A SER 121.A N ARG 118.A O no hydrogen 3.251 N/A SER 121.A OG ARG 117.A O no hydrogen 3.350 N/A SER 121.A OG ARG 118.A O no hydrogen 2.937 N/A GLU 122.A N PHE 119.A O no hydrogen 3.233 N/A VAL 123.A N PHE 119.A O no hydrogen 3.000 N/A ASP 124.A N THR 54.A O no hydrogen 2.841 N/A TYR 125.A N THR 54.A O no hydrogen 3.266 N/A LEU 126.A N GLY 191.A O no hydrogen 2.810 N/A VAL 127.A N GLY 56.A O no hydrogen 2.826 N/A CYS 128.A N PHE 189.A O no hydrogen 2.787 N/A VAL 129.A N THR 58.A O no hydrogen 3.101 N/A ASP 130.A N ALA 187.A O no hydrogen 3.092 N/A ARG 133.A N VAL 131.A O no hydrogen 2.845 N/A GLU 134.A N THR 261.A O no hydrogen 2.995 N/A PHE 135.A N THR 75.A OG1 no hydrogen 2.881 N/A ARG 136.A N ARG 259.A O no hydrogen 2.733 N/A ARG 136.A NH1 GLN 246.A OE1 no hydrogen 2.619 N/A ARG 136.A NH2 GLN 246.A OE1 no hydrogen 3.456 N/A ASP 137.A N ARG 259.A O no hydrogen 3.249 N/A HIS 138.A N ASP 137.A OD1 no hydrogen 2.766 N/A HIS 138.A NE2 GLU 142.A OE2 no hydrogen 2.741 N/A VAL 139.A N HIS 79.A O no hydrogen 2.899 N/A GLY 140.A N GLU 142.A OE1 no hydrogen 2.906 N/A GLU 142.A N GLU 142.A OE2 no hydrogen 2.904 N/A ILE 143.A N GLY 140.A O no hydrogen 3.188 N/A LEU 144.A N VAL 141.A O no hydrogen 2.990 N/A THR 145.A OG1 THR 235.A OG1 no hydrogen 2.652 N/A LEU 147.A N THR 235.A OG1 no hydrogen 2.937 N/A PHE 148.A N GLY 190.A O no hydrogen 2.813 N/A THR 150.A OG1 PHE 188.A O no hydrogen 2.858 N/A LEU 151.A N LEU 238.A O no hydrogen 2.943 N/A HIS 152.A N TYR 183.A O no hydrogen 2.947 N/A PHE 155.A N HIS 152.A O no hydrogen 3.172 N/A SER 158.A N PHE 155.A O no hydrogen 2.935 N/A SER 158.A OG PHE 155.A O no hydrogen 3.406 N/A ARG 160.A NE GLY 180.A O no hydrogen 2.994 N/A ARG 160.A NH1 GLY 180.A O no hydrogen 2.947 N/A ALA 162.A N SER 159.A O no hydrogen 2.983 N/A PHE 163.A N ARG 160.A O no hydrogen 3.072 N/A TYR 165.A OH PHE 182.A O no hydrogen 2.636 N/A ARG 167.A NH1 ILE 175.A O no hydrogen 2.856 N/A ARG 167.A NH2 ARG 160.A O no hydrogen 2.941 N/A ARG 167.A NH2 PHE 163.A O no hydrogen 3.041 N/A ARG 168.A N GLU 166.A OE1 no hydrogen 2.946 N/A ARG 168.A NE GLU 166.A OE1 no hydrogen 2.717 N/A ARG 168.A NH2 GLU 166.A OE2 no hydrogen 2.957 N/A ARG 168.A NH2 GLU 216.A O no hydrogen 2.884 N/A SER 171.A N ARG 168.A O no hydrogen 2.991 N/A SER 171.A OG ASP 210.A OD2 no hydrogen 2.629 N/A GLN 172.A N ASP 210.A OD1 no hydrogen 2.811 N/A ALA 173.A N SER 171.A OG no hydrogen 3.148 N/A TYR 174.A N SER 171.A O no hydrogen 2.993 N/A ILE 175.A N GLU 166.A O no hydrogen 2.820 N/A GLU 179.A N PRO 176.A O no hydrogen 3.102 N/A TYR 183.A OH GLU 222.A OE2 no hydrogen 2.665 N/A TYR 184.A N ASN 226.A OD1 no hydrogen 2.777 N/A MET 185.A N THR 150.A O no hydrogen 3.131 N/A GLY 186.A N GLU 222.A OE1 no hydrogen 2.831 N/A PHE 189.A N CYS 128.A O no hydrogen 3.153 N/A GLY 190.A N PHE 148.A O no hydrogen 3.211 N/A GLY 191.A N LEU 126.A O no hydrogen 2.943 N/A SER 192.A N PRO 146.A O no hydrogen 2.894 N/A VAL 193.A N ASP 124.A O no hydrogen 3.418 N/A GLU 195.A N SER 192.A OG no hydrogen 3.184 N/A VAL 196.A N SER 192.A O no hydrogen 2.974 N/A GLN 197.A N VAL 193.A O no hydrogen 2.937 N/A GLN 197.A NE2 GLU 116.A O no hydrogen 2.882 N/A ARG 198.A N GLN 194.A O no hydrogen 3.040 N/A ARG 198.A NH2 GLU 195.A OE2 no hydrogen 2.927 N/A LEU 199.A N GLU 195.A O no hydrogen 2.969 N/A THR 200.A N VAL 196.A O no hydrogen 2.941 N/A THR 200.A OG1 VAL 196.A O no hydrogen 3.381 N/A THR 200.A OG1 GLN 197.A O no hydrogen 3.279 N/A ARG 201.A N GLN 197.A O no hydrogen 2.818 N/A ALA 202.A N ARG 198.A O no hydrogen 2.929 N/A CYS 203.A N.A LEU 199.A O no hydrogen 2.936 N/A CYS 203.A N.B LEU 199.A O no hydrogen 2.905 N/A CYS 203.A SG.A LEU 199.A O no hydrogen 3.419 N/A HIS 204.A N THR 200.A O no hydrogen 2.975 N/A GLN 205.A N ARG 201.A O no hydrogen 3.011 N/A ALA 206.A N ALA 202.A O no hydrogen 2.978 N/A MET 207.A N CYS 203.A O.A no hydrogen 3.088 N/A MET 207.A N CYS 203.A O.B no hydrogen 2.867 N/A MET 208.A N HIS 204.A O no hydrogen 3.149 N/A VAL 209.A N GLN 205.A O no hydrogen 3.063 N/A ASP 210.A N ALA 206.A O no hydrogen 2.999 N/A GLN 211.A N MET 207.A O no hydrogen 2.906 N/A ALA 212.A N MET 208.A O no hydrogen 2.864 N/A ASN 213.A N VAL 209.A O no hydrogen 3.017 N/A GLY 214.A N GLN 211.A O no hydrogen 2.868 N/A ILE 215.A N ASP 210.A O no hydrogen 2.872 N/A VAL 218.A N GLU 166.A OE2 no hydrogen 2.706 N/A TRP 219.A N SER 223.A OG no hydrogen 2.937 N/A HIS 220.A N ALA 217.A O no hydrogen 3.020 N/A SER 223.A N TRP 219.A O no hydrogen 3.458 N/A HIS 224.A N HIS 220.A O no hydrogen 3.461 N/A HIS 224.A ND1 HIS 220.A O no hydrogen 3.025 N/A LEU 225.A N ASP 221.A O no hydrogen 2.780 N/A ASN 226.A N GLU 222.A O no hydrogen 3.048 N/A ASN 226.A ND2 TYR 184.A O no hydrogen 2.730 N/A ASN 226.A ND2 GLU 222.A O no hydrogen 2.991 N/A LYS 227.A N SER 223.A O no hydrogen 3.099 N/A LYS 227.A NZ GLN 172.A O no hydrogen 2.651 N/A LYS 227.A NZ TYR 174.A O no hydrogen 3.006 N/A TYR 228.A N HIS 224.A O no hydrogen 2.872 N/A LEU 229.A N LEU 225.A O no hydrogen 2.943 N/A LEU 230.A N ASN 226.A O no hydrogen 3.029 N/A ARG 231.A N LYS 227.A O no hydrogen 3.262 N/A HIS 232.A N TYR 228.A O no hydrogen 2.833 N/A HIS 232.A ND1 TYR 228.A O no hydrogen 3.015 N/A LYS 233.A NZ ASP 181.A OD2 no hydrogen 2.673 N/A LYS 233.A NZ LEU 230.A O no hydrogen 2.772 N/A THR 235.A N LEU 147.A O no hydrogen 2.687 N/A THR 235.A OG1 THR 145.A OG1 no hydrogen 2.652 N/A THR 235.A OG1 LEU 147.A O no hydrogen 3.153 N/A LYS 236.A N LEU 147.A O no hydrogen 3.297 N/A LYS 236.A NZ GLU 142.A O no hydrogen 2.841 N/A LYS 236.A NZ LEU 144.A O no hydrogen 2.728 N/A VAL 237.A N PRO 32.A O no hydrogen 2.902 N/A LEU 238.A N GLY 149.A O no hydrogen 2.852 N/A SER 239.A N VAL 34.A O no hydrogen 3.146 N/A SER 239.A OG VAL 34.A O no hydrogen 2.757 N/A GLU 241.A N SER 239.A OG no hydrogen 3.414 N/A TYR 242.A N SER 239.A O no hydrogen 3.050 N/A TYR 242.A OH GLU 142.A OE1 no hydrogen 2.618 N/A LEU 243.A N PRO 240.A O no hydrogen 3.180 N/A TRP 244.A N PHE 260.A O no hydrogen 3.022 N/A TRP 244.A NE1 GLY 250.A O no hydrogen 2.649 N/A GLN 247.A N ASP 245.A OD1 no hydrogen 3.105 N/A LEU 248.A N ASP 245.A OD1 no hydrogen 3.144 N/A LEU 249.A N ASP 245.A O no hydrogen 2.794 N/A GLY 250.A N GLN 246.A O no hydrogen 2.867 N/A TRP 251.A NE1 LEU 255.A O no hydrogen 2.646 N/A LEU 255.A N PRO 252.A O no hydrogen 2.918 N/A LYS 257.A NZ ASP 137.A OD1 no hydrogen 3.176 N/A ARG 259.A N GLU 241.A O no hydrogen 2.872 N/A ARG 259.A NE GLU 241.A OE2 no hydrogen 2.742 N/A ARG 259.A NH1 HIS 138.A O no hydrogen 2.868 N/A ARG 259.A NH2 GLU 36.A OE2 no hydrogen 2.857 N/A ARG 259.A NH2 GLU 241.A OE2 no hydrogen 2.777 N/A THR 261.A N GLU 134.A O no hydrogen 3.015 N/A ALA 262.A N TRP 244.A O no hydrogen 2.903 N/A