Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2p2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ALA 1.A O no hydrogen 2.941 N/A TYR 6.A OH GLU 12.A OE1 no hydrogen 3.008 N/A LYS 10.A N ASP 7.A O no hydrogen 3.095 N/A LYS 10.A N ASP 7.A OD1 no hydrogen 3.101 N/A TRP 11.A N ASP 7.A O no hydrogen 3.244 N/A GLU 12.A N ALA 8.A O no hydrogen 2.945 N/A PHE 13.A N ALA 81.A O no hydrogen 2.816 N/A ARG 15.A NE PRO 88.A O no hydrogen 2.933 N/A ARG 15.A NH1 LYS 84.A O no hydrogen 2.553 N/A ARG 15.A NH1 PRO 88.A O no hydrogen 3.210 N/A ARG 15.A NH2 LYS 84.A O no hydrogen 2.894 N/A ARG 17.A N PRO 14.A O no hydrogen 3.005 N/A LEU 18.A N ARG 15.A O no hydrogen 3.371 N/A LYS 19.A N ASP 36.A O no hydrogen 2.829 N/A GLY 21.A N GLU 34.A O no hydrogen 2.734 N/A LYS 22.A NZ GLU 34.A OE1 no hydrogen 2.664 N/A LEU 24.A N VAL 32.A O no hydrogen 2.696 N/A GLY 27.A N GLY 30.A O no hydrogen 3.211 N/A GLN 31.A N MET 50.A O no hydrogen 3.378 N/A ILE 33.A N VAL 48.A O no hydrogen 2.868 N/A GLU 34.A N LYS 22.A O no hydrogen 3.000 N/A ALA 35.A N VAL 46.A O no hydrogen 2.745 N/A ASP 36.A N LYS 19.A O no hydrogen 3.181 N/A ALA 37.A N ARG 44.A O no hydrogen 2.894 N/A PHE 38.A N ARG 17.A O no hydrogen 2.847 N/A GLY 39.A N THR 42.A O no hydrogen 2.924 N/A THR 42.A OG1 ASP 41.A OD1 no hydrogen 2.878 N/A ARG 44.A N ALA 37.A O no hydrogen 3.009 N/A THR 45.A OG1 ASP 36.A OD1 no hydrogen 3.533 N/A VAL 46.A N ALA 35.A O no hydrogen 2.696 N/A ALA 47.A N VAL 93.A O no hydrogen 3.058 N/A VAL 48.A N ILE 33.A O no hydrogen 2.704 N/A LYS 49.A N VAL 91.A O no hydrogen 2.821 N/A LYS 49.A NZ GLU 62.A OE1 no hydrogen 2.878 N/A LYS 49.A NZ GLU 62.A OE2 no hydrogen 3.037 N/A LYS 49.A NZ ASP 173.A O no hydrogen 2.909 N/A LYS 49.A NZ GLY 175.A O no hydrogen 2.891 N/A MET 50.A N GLN 31.A O no hydrogen 3.232 N/A THR 52.A OG1 GLU 55.A OE1 no hydrogen 3.556 N/A GLU 55.A N THR 52.A O no hydrogen 2.807 N/A HIS 56.A N THR 52.A O no hydrogen 2.869 N/A ARG 57.A N HIS 53.A O no hydrogen 3.323 N/A LEU 59.A N GLU 55.A O no hydrogen 2.959 N/A MET 60.A N HIS 56.A O no hydrogen 3.014 N/A SER 61.A N ARG 57.A O no hydrogen 2.899 N/A SER 61.A OG ARG 57.A O no hydrogen 2.718 N/A GLU 62.A N ALA 58.A O no hydrogen 3.049 N/A LEU 63.A N LEU 59.A O no hydrogen 3.115 N/A LYS 64.A N MET 60.A O no hydrogen 2.812 N/A ILE 65.A N SER 61.A O no hydrogen 2.782 N/A LEU 66.A N GLU 62.A O no hydrogen 3.000 N/A ILE 67.A N LEU 63.A O no hydrogen 3.219 N/A HIS 68.A N LYS 64.A O no hydrogen 3.168 N/A ILE 69.A N ILE 65.A O no hydrogen 2.809 N/A GLY 70.A N LEU 66.A O no hydrogen 3.429 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 2.825 N/A ASN 74.A ND2 GLN 138.A OE1 no hydrogen 2.666 N/A ASN 74.A ND2 VAL 169.A O no hydrogen 2.927 N/A VAL 75.A N HIS 72.A O no hydrogen 3.119 N/A VAL 76.A N ILE 171.A O no hydrogen 3.091 N/A ASN 77.A N GLU 94.A OE1 no hydrogen 3.120 N/A ASN 77.A ND2 HIS 71.A NE2 no hydrogen 3.333 N/A ASN 77.A ND2 GLU 94.A OE2 no hydrogen 2.648 N/A LEU 79.A N ILE 92.A O no hydrogen 2.810 N/A GLY 80.A N ILE 92.A O no hydrogen 3.227 N/A ALA 81.A N TRP 11.A O no hydrogen 3.171 N/A CYS 82.A N MET 90.A O no hydrogen 2.962 N/A CYS 82.A SG PHE 13.A O no hydrogen 3.294 N/A THR 83.A N GLU 12.A OE1 no hydrogen 3.111 N/A THR 83.A N GLU 12.A OE2 no hydrogen 3.086 N/A THR 83.A OG1 GLU 12.A OE1 no hydrogen 2.764 N/A LYS 84.A N GLU 12.A OE2 no hydrogen 3.224 N/A MET 90.A N CYS 82.A O no hydrogen 3.192 N/A VAL 91.A N LYS 49.A O no hydrogen 2.828 N/A ILE 92.A N GLY 80.A O no hydrogen 2.868 N/A VAL 93.A N ALA 47.A O no hydrogen 2.999 N/A GLU 94.A N ASN 77.A O no hydrogen 2.965 N/A GLY 99.A N CYS 96.A O no hydrogen 3.357 N/A ASN 100.A ND2 THR 103.A OG1 no hydrogen 2.744 N/A LEU 101.A N ILE 161.A O no hydrogen 2.773 N/A THR 103.A N ASN 100.A OD1 no hydrogen 2.918 N/A TYR 104.A N ASN 100.A O no hydrogen 3.098 N/A LEU 105.A N LEU 101.A O no hydrogen 2.961 N/A ARG 106.A N SER 102.A O no hydrogen 3.140 N/A ARG 106.A NE GLY 213.A O no hydrogen 2.824 N/A SER 107.A N TYR 104.A O no hydrogen 3.110 N/A SER 107.A OG TYR 104.A O no hydrogen 2.475 N/A LYS 108.A N LEU 105.A O no hydrogen 3.065 N/A LYS 108.A NZ GLU 111.A OE1 no hydrogen 2.609 N/A LYS 108.A NZ ASP 125.A O no hydrogen 2.979 N/A ARG 109.A NE LEU 212.A O no hydrogen 2.944 N/A ARG 109.A NH1 LEU 212.A O no hydrogen 2.950 N/A GLU 111.A N LYS 108.A O no hydrogen 3.079 N/A VAL 113.A N LEU 127.A O no hydrogen 3.004 N/A LYS 116.A NZ TYR 123.A O no hydrogen 2.742 N/A LEU 122.A N PRO 119.A O no hydrogen 2.990 N/A TYR 123.A N GLU 120.A O no hydrogen 3.178 N/A LYS 124.A N ASP 121.A O no hydrogen 3.137 N/A LEU 127.A N GLU 111.A O no hydrogen 2.828 N/A THR 128.A N HIS 131.A ND1 no hydrogen 3.205 N/A THR 128.A OG1 HIS 131.A ND1 no hydrogen 2.874 N/A LEU 129.A N PRO 114.A O no hydrogen 2.923 N/A HIS 131.A ND1 THR 128.A OG1 no hydrogen 2.874 N/A LEU 132.A N THR 128.A O no hydrogen 3.181 N/A ILE 133.A N LEU 129.A O no hydrogen 2.842 N/A CYS 134.A N GLU 130.A O no hydrogen 3.020 N/A TYR 135.A N HIS 131.A O no hydrogen 2.930 N/A SER 136.A N LEU 132.A O no hydrogen 3.301 N/A SER 136.A OG LEU 132.A O no hydrogen 2.986 N/A PHE 137.A N ILE 133.A O no hydrogen 2.980 N/A GLN 138.A N CYS 134.A O no hydrogen 2.946 N/A GLN 138.A NE2 CYS 134.A O no hydrogen 3.648 N/A GLN 138.A NE2 ASN 167.A O no hydrogen 2.895 N/A VAL 139.A N TYR 135.A O no hydrogen 2.969 N/A ALA 140.A N SER 136.A O no hydrogen 2.876 N/A LYS 141.A N PHE 137.A O no hydrogen 2.921 N/A GLY 142.A N GLN 138.A O no hydrogen 2.980 N/A MET 143.A N VAL 139.A O no hydrogen 2.968 N/A GLU 144.A N ALA 140.A O no hydrogen 2.829 N/A PHE 145.A N LYS 141.A O no hydrogen 3.015 N/A LEU 146.A N GLY 142.A O no hydrogen 2.964 N/A ALA 147.A N MET 143.A O no hydrogen 2.754 N/A SER 148.A N GLU 144.A O no hydrogen 2.897 N/A SER 148.A OG GLU 144.A O no hydrogen 2.721 N/A ARG 149.A N LEU 146.A O no hydrogen 3.137 N/A ARG 149.A NH2 PHE 145.A O no hydrogen 3.232 N/A LYS 150.A N ALA 147.A O no hydrogen 2.998 N/A CYS 151.A N LEU 146.A O no hydrogen 2.899 N/A CYS 151.A SG ARG 149.A O no hydrogen 3.508 N/A HIS 153.A N ASP 198.A OD2 no hydrogen 2.699 N/A HIS 153.A NE2 CYS 172.A O no hydrogen 2.921 N/A ARG 154.A N ASP 198.A OD1 no hydrogen 3.093 N/A ASP 155.A N HIS 153.A ND1 no hydrogen 2.831 N/A ALA 158.A N GLU 208.A OE1 no hydrogen 3.028 N/A ARG 159.A NH2 ASP 155.A OD1 no hydrogen 3.268 N/A ASN 160.A N ALA 157.A O no hydrogen 2.793 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 3.029 N/A ILE 161.A N ALA 158.A O no hydrogen 3.242 N/A LEU 162.A N LYS 170.A O no hydrogen 2.917 N/A LEU 163.A N GLY 99.A O no hydrogen 2.897 N/A SER 164.A N VAL 168.A O no hydrogen 2.708 N/A VAL 169.A N GLN 138.A OE1 no hydrogen 2.887 N/A LYS 170.A N LEU 162.A O no hydrogen 2.933 N/A LYS 170.A NZ LEU 73.A O no hydrogen 2.781 N/A LYS 170.A NZ GLU 94.A OE1 no hydrogen 3.492 N/A ILE 171.A N ASN 74.A O no hydrogen 2.951 N/A CYS 172.A N ASN 160.A O no hydrogen 2.896 N/A CYS 172.A SG ASN 160.A O no hydrogen 3.287 N/A PHE 174.A N ASN 160.A OD1 no hydrogen 3.289 N/A GLY 175.A N ASP 173.A OD2 no hydrogen 3.412 N/A LEU 180.A N LEU 178.A O no hydrogen 2.646 N/A TRP 182.A N PRO 179.A O no hydrogen 3.147 N/A TRP 182.A NE1 GLU 208.A OE1 no hydrogen 2.958 N/A MET 183.A N LEU 180.A O no hydrogen 3.260 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.558 N/A THR 187.A N ALA 184.A O no hydrogen 2.785 N/A THR 187.A OG1 VAL 192.A O no hydrogen 2.717 N/A ILE 188.A N ALA 184.A O no hydrogen 3.030 N/A ILE 188.A N PRO 185.A O no hydrogen 3.250 N/A PHE 189.A N PRO 185.A O no hydrogen 2.920 N/A ASP 190.A N GLU 186.A O no hydrogen 2.832 N/A VAL 192.A N GLU 186.A O no hydrogen 3.413 N/A THR 194.A N SER 197.A OG no hydrogen 3.095 N/A THR 194.A OG1 GLN 196.A OE1 no hydrogen 3.418 N/A THR 194.A OG1 SER 197.A OG no hydrogen 3.218 N/A SER 197.A N THR 194.A O no hydrogen 3.067 N/A SER 197.A N THR 194.A OG1 no hydrogen 3.007 N/A SER 197.A OG THR 187.A OG1 no hydrogen 3.073 N/A SER 197.A OG THR 194.A OG1 no hydrogen 3.218 N/A ASP 198.A N THR 194.A O no hydrogen 3.215 N/A VAL 199.A N ILE 195.A O no hydrogen 2.978 N/A TRP 200.A N GLN 196.A O no hydrogen 3.267 N/A SER 201.A N SER 197.A O no hydrogen 3.013 N/A SER 201.A OG TRP 182.A O no hydrogen 2.534 N/A PHE 202.A N ASP 198.A O no hydrogen 2.956 N/A GLY 203.A N VAL 199.A O no hydrogen 3.215 N/A GLY 203.A N TRP 200.A O no hydrogen 2.863 N/A VAL 204.A N TRP 200.A O no hydrogen 3.313 N/A LEU 205.A N SER 201.A O no hydrogen 2.943 N/A LEU 206.A N PHE 202.A O no hydrogen 2.862 N/A TRP 207.A N GLY 203.A O no hydrogen 3.011 N/A TRP 207.A NE1 ARG 237.A O no hydrogen 3.028 N/A GLU 208.A N VAL 204.A O no hydrogen 2.883 N/A ILE 209.A N LEU 205.A O no hydrogen 2.802 N/A PHE 210.A N LEU 206.A O no hydrogen 3.116 N/A SER 211.A N GLU 208.A O no hydrogen 3.434 N/A SER 211.A OG TRP 207.A O no hydrogen 3.334 N/A SER 211.A OG GLU 208.A O no hydrogen 3.063 N/A LEU 212.A N ILE 209.A O no hydrogen 3.177 N/A GLY 213.A N GLU 208.A O no hydrogen 2.967 N/A ALA 214.A N SER 211.A OG no hydrogen 3.004 N/A PHE 226.A N ASP 223.A OD2 no hydrogen 2.842 N/A CYS 227.A N ASP 223.A O no hydrogen 3.160 N/A CYS 227.A SG ASP 223.A O no hydrogen 3.270 N/A ARG 228.A N GLU 224.A O no hydrogen 2.855 N/A ARG 229.A N GLU 225.A O no hydrogen 2.880 N/A LEU 230.A N PHE 226.A O no hydrogen 3.123 N/A LYS 231.A N CYS 227.A O no hydrogen 3.044 N/A GLU 232.A N ARG 228.A O no hydrogen 2.972 N/A THR 234.A N ARG 229.A O no hydrogen 2.878 N/A THR 234.A OG1 ARG 229.A O no hydrogen 3.530 N/A ARG 235.A NE THR 234.A O no hydrogen 2.791 N/A ARG 235.A NH1 TRP 254.A O no hydrogen 2.726 N/A ARG 235.A NH2 LEU 230.A O no hydrogen 2.508 N/A ARG 235.A NH2 THR 234.A O no hydrogen 3.047 N/A TYR 241.A N PHE 210.A O no hydrogen 2.936 N/A THR 242.A N PRO 239.A O no hydrogen 3.410 N/A THR 242.A OG1 THR 243.A O no hydrogen 2.971 N/A GLU 245.A N GLU 245.A OE1 no hydrogen 2.395 N/A MET 246.A N THR 243.A OG1 no hydrogen 3.372 N/A TYR 247.A N THR 243.A O no hydrogen 3.155 N/A TYR 247.A OH MET 236.A O no hydrogen 2.687 N/A GLN 248.A N PRO 244.A O no hydrogen 3.171 N/A GLN 248.A NE2 ASP 252.A OD1 no hydrogen 2.910 N/A THR 249.A N GLU 245.A O no hydrogen 3.003 N/A THR 249.A N MET 246.A O no hydrogen 2.975 N/A THR 249.A OG1 GLU 245.A O no hydrogen 2.955 N/A THR 249.A OG1 HIS 270.A NE2 no hydrogen 3.088 N/A MET 250.A N MET 246.A O no hydrogen 3.021 N/A LEU 251.A N TYR 247.A O no hydrogen 2.985 N/A ASP 252.A N GLN 248.A O no hydrogen 2.987 N/A CYS 253.A N THR 249.A O no hydrogen 3.045 N/A CYS 253.A SG THR 249.A O no hydrogen 3.317 N/A TRP 254.A N MET 250.A O no hydrogen 3.039 N/A TRP 254.A N LEU 251.A O no hydrogen 3.231 N/A HIS 255.A N ASP 252.A O no hydrogen 3.216 N/A GLU 257.A N HIS 255.A ND1 no hydrogen 3.053 N/A SER 259.A OG GLU 257.A OE1 no hydrogen 3.556 N/A GLN 260.A N GLU 257.A O no hydrogen 2.857 N/A ARG 261.A N PRO 258.A O no hydrogen 3.102 N/A ARG 261.A NE HIS 255.A O no hydrogen 2.829 N/A ARG 261.A NH1 GLU 186.A OE2 no hydrogen 2.623 N/A ARG 261.A NH1 GLN 196.A O no hydrogen 2.857 N/A ARG 261.A NH2 GLU 186.A OE1 no hydrogen 3.122 N/A ARG 261.A NH2 GLU 186.A OE2 no hydrogen 3.232 N/A ARG 261.A NH2 HIS 255.A O no hydrogen 3.164 N/A THR 263.A N GLU 266.A OE1 no hydrogen 2.776 N/A SER 265.A OG GLU 144.A OE2 no hydrogen 3.318 N/A GLU 266.A N THR 263.A OG1 no hydrogen 3.178 N/A LEU 267.A N THR 263.A O no hydrogen 3.018 N/A VAL 268.A N PHE 264.A O no hydrogen 2.890 N/A GLU 269.A N SER 265.A O no hydrogen 3.180 N/A HIS 270.A N GLU 266.A O no hydrogen 2.813 N/A HIS 270.A NE2 THR 249.A OG1 no hydrogen 3.088 N/A LEU 271.A N LEU 267.A O no hydrogen 2.889 N/A GLY 272.A N VAL 268.A O no hydrogen 2.852 N/A ASN 273.A N GLU 269.A O no hydrogen 3.054 N/A LEU 274.A N HIS 270.A O no hydrogen 3.088 N/A LEU 275.A N LEU 271.A O no hydrogen 2.933 N/A GLN 276.A N GLY 272.A O no hydrogen 3.067 N/A ALA 277.A N ASN 273.A O no hydrogen 2.698 N/A ASN 278.A N LEU 274.A O no hydrogen 2.755 N/A ALA 279.A N LEU 275.A O no hydrogen 2.917 N/A GLN 280.A N GLN 276.A O no hydrogen 2.954 N/A GLN 281.A N ALA 277.A O no hydrogen 3.107 N/A ASP 282.A N ASN 278.A O no hydrogen 2.897 N/A ARG 283.A N ALA 279.A O no hydrogen 2.993 N/A HIS 284.A N GLN 280.A O no hydrogen 3.267 N/A HIS 284.A ND1 GLN 280.A O no hydrogen 3.077 N/A HIS 285.A N GLN 281.A O no hydrogen 2.745 N/A HIS 286.A N ASP 282.A O no hydrogen 2.809 N/A HIS 287.A N ARG 283.A O no hydrogen 2.870 N/A HIS 288.A N HIS 284.A O no hydrogen 2.865 N/A HIS 289.A N HIS 285.A O no hydrogen 3.078 N/A HIS 289.A ND1 HIS 285.A O no hydrogen 3.141 N/A