Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2i3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ASP 237.A OD2 no hydrogen 2.590 N/A CYS 4.A N ASP 237.A OD1 no hydrogen 2.829 N/A ILE 6.A N VAL 236.A O no hydrogen 2.823 N/A ILE 8.A N ASP 234.A O no hydrogen 2.964 N/A GLN 10.A N LYS 7.A O no hydrogen 2.875 N/A PHE 11.A N ILE 8.A O no hydrogen 3.050 N/A HIS 14.A N GLN 10.A O no hydrogen 3.072 N/A PHE 15.A N PHE 11.A O no hydrogen 2.817 N/A MET 16.A N GLU 12.A O no hydrogen 3.096 N/A LYS 17.A N GLY 13.A O no hydrogen 2.744 N/A LEU 18.A N HIS 14.A O no hydrogen 2.787 N/A GLN 19.A N PHE 15.A O no hydrogen 2.977 N/A GLN 19.A N MET 16.A O no hydrogen 2.957 N/A ALA 20.A N MET 16.A O no hydrogen 2.973 N/A ASN 23.A N GLN 19.A O no hydrogen 2.702 N/A TYR 24.A N ALA 20.A O no hydrogen 3.160 N/A LEU 26.A N LEU 18.A O no hydrogen 3.057 N/A SER 27.A N ASN 23.A O no hydrogen 2.999 N/A SER 27.A OG ASN 23.A O no hydrogen 3.205 N/A SER 27.A OG GLU 256.A OE1 no hydrogen 2.827 N/A SER 27.A OG GLU 256.A OE2 no hydrogen 3.018 N/A LYS 28.A N TYR 24.A O no hydrogen 3.297 N/A GLU 29.A N LEU 25.A O no hydrogen 2.999 N/A TYR 30.A N LEU 26.A O no hydrogen 2.837 N/A GLU 31.A N SER 27.A O no hydrogen 2.905 N/A GLU 32.A N LYS 28.A O no hydrogen 3.261 N/A GLU 32.A N GLU 29.A O no hydrogen 3.007 N/A LEU 33.A N TYR 30.A O no hydrogen 3.111 N/A LYS 34.A N GLU 31.A O no hydrogen 3.072 N/A VAL 36.A N LEU 33.A O no hydrogen 3.097 N/A ARG 38.A N ASP 35.A O no hydrogen 3.011 N/A GLN 40.A N GLY 37.A O no hydrogen 3.179 N/A SER 41.A OG.B ASP 63.A OD2 no hydrogen 2.792 N/A CYS 42.A SG LEU 60.A O no hydrogen 3.735 N/A CYS 42.A SG PRO 61.A O no hydrogen 3.293 N/A ASP 43.A N ASP 63.A OD2 no hydrogen 2.851 N/A ILE 44.A N ASP 63.A OD1 no hydrogen 2.892 N/A LEU 46.A N CYS 42.A O no hydrogen 3.236 N/A LEU 46.A N ASP 43.A O no hydrogen 3.226 N/A LEU 47.A N ILE 44.A O no hydrogen 3.060 N/A ASN 50.A N LEU 47.A O no hydrogen 2.805 N/A ASN 50.A ND2 ILE 44.A O no hydrogen 2.803 N/A ARG 51.A N PRO 48.A O no hydrogen 3.097 N/A LYS 53.A N ASN 50.A O no hydrogen 2.906 N/A LYS 53.A NZ ASN 50.A OD1 no hydrogen 2.873 N/A ASN 54.A N ARG 51.A O no hydrogen 3.478 N/A ASN 54.A ND2 ALA 45.A O no hydrogen 3.172 N/A ARG 55.A N GLN 93.A OE1 no hydrogen 2.851 N/A ARG 55.A NE GLY 94.A O no hydrogen 2.902 N/A ARG 55.A NH2 GLY 94.A O no hydrogen 3.253 N/A ARG 55.A NH2 PRO 95.A O no hydrogen 2.767 N/A TYR 56.A OH SER 211.A OG no hydrogen 2.732 N/A ILE 59.A N TYR 56.A O no hydrogen 3.067 N/A ASP 63.A N SER 41.A O no hydrogen 2.886 N/A THR 65.A N TYR 62.A O no hydrogen 3.240 N/A THR 65.A OG1 HIS 248.A O no hydrogen 2.730 N/A ARG 66.A NH1 ASP 73.A OD1 no hydrogen 3.008 N/A ARG 66.A NH2 ASP 73.A OD1 no hydrogen 3.269 N/A ARG 66.A NH2 ASP 73.A OD2 no hydrogen 2.899 N/A VAL 67.A N ALA 77.A O no hydrogen 2.957 N/A LEU 69.A N ASP 73.A O no hydrogen 2.786 N/A SER 70.A N GLU 109.A OE1 no hydrogen 2.990 N/A SER 70.A OG.A GLU 109.A OE2 no hydrogen 2.577 N/A SER 70.A OG.B GLU 109.A OE2 no hydrogen 2.436 N/A SER 72.A OG.A ASN 50.A OD1 no hydrogen 3.299 N/A SER 72.A OG.B GLU 49.A OE2 no hydrogen 2.960 N/A TYR 74.A N SER 72.A OG.A no hydrogen 3.327 N/A TYR 74.A OH ASN 54.A OD1 no hydrogen 2.554 N/A ASN 76.A ND2 ASN 54.A OD1 no hydrogen 2.952 N/A ASN 76.A ND2 ILE 59.A O no hydrogen 2.925 N/A SER 78.A N VAL 91.A O no hydrogen 2.796 N/A TYR 79.A N THR 65.A O no hydrogen 2.896 N/A TYR 79.A OH GLN 110.A OE1 no hydrogen 2.689 N/A ILE 80.A N TYR 89.A O no hydrogen 2.834 N/A GLY 82.A N PHE 85.A O no hydrogen 3.042 N/A ASN 84.A N GLU 88.A OE2 no hydrogen 2.763 N/A ASN 84.A ND2 GLU 88.A OE1 no hydrogen 2.792 N/A ASN 84.A ND2 GLN 228.A OE1 no hydrogen 2.875 N/A PHE 85.A N GLU 88.A OE2 no hydrogen 2.896 N/A GLU 88.A N ILE 80.A O no hydrogen 2.912 N/A TYR 89.A N ILE 80.A O no hydrogen 3.045 N/A TYR 89.A OH ASP 224.A OD2 no hydrogen 2.495 N/A ILE 90.A N THR 206.A O no hydrogen 2.885 N/A VAL 91.A N SER 78.A O no hydrogen 2.817 N/A THR 92.A N VAL 208.A O no hydrogen 3.103 N/A THR 92.A OG1 ASN 76.A O no hydrogen 2.563 N/A GLN 93.A NE2 LYS 53.A O no hydrogen 2.940 N/A GLY 94.A N SER 211.A O no hydrogen 2.715 N/A LEU 96.A N THR 99.A OG1 no hydrogen 2.994 N/A THR 99.A N LEU 96.A O no hydrogen 2.903 N/A LYS 100.A NZ HIS 120.A O no hydrogen 3.023 N/A PHE 103.A N THR 99.A O no hydrogen 2.892 N/A TRP 104.A N LYS 100.A O no hydrogen 3.040 N/A TRP 104.A NE1 TYR 121.A O no hydrogen 2.792 N/A LYS 105.A N ASP 101.A O no hydrogen 2.890 N/A LYS 105.A NZ SER 70.A O no hydrogen 2.930 N/A LYS 105.A NZ SER 70.A OG.A no hydrogen 3.353 N/A MET 106.A N ASP 102.A O no hydrogen 2.925 N/A VAL 107.A N PHE 103.A O no hydrogen 2.995 N/A TRP 108.A N TRP 104.A O no hydrogen 2.868 N/A TRP 108.A NE1 GLU 157.A O no hydrogen 2.796 N/A GLU 109.A N LYS 105.A O no hydrogen 2.833 N/A GLN 110.A N MET 106.A O no hydrogen 2.832 N/A ASN 111.A N TRP 108.A O no hydrogen 3.202 N/A VAL 112.A N VAL 107.A O no hydrogen 3.137 N/A HIS 113.A N ALA 203.A O no hydrogen 3.010 N/A HIS 113.A ND1 ASN 111.A O no hydrogen 2.945 N/A HIS 113.A ND1 ALA 203.A O no hydrogen 3.150 N/A ILE 115.A N ARG 167.A O no hydrogen 2.875 N/A VAL 116.A N VAL 207.A O no hydrogen 2.738 N/A MET 117.A N PHE 169.A O no hydrogen 2.867 N/A VAL 118.A N HIS 209.A O no hydrogen 2.996 N/A TYR 121.A OH HIS 209.A NE2 no hydrogen 2.688 N/A ASP 127.A N ASP 125.A OD1 no hydrogen 2.917 N/A LEU 129.A N LEU 136.A O no hydrogen 2.971 N/A TYR 131.A N LEU 134.A O no hydrogen 2.790 N/A LEU 134.A N TYR 131.A O no hydrogen 3.214 N/A ILE 135.A N CYS 155.A O no hydrogen 2.946 N/A LEU 136.A N LEU 129.A O no hydrogen 2.955 N/A GLN 137.A N LYS 153.A O no hydrogen 2.900 N/A LEU 139.A N GLU 151.A O no hydrogen 2.727 N/A SER 140.A N GLU 151.A O no hydrogen 3.401 N/A SER 142.A N ILE 149.A O no hydrogen 2.828 N/A LEU 144.A N TRP 147.A O no hydrogen 2.871 N/A THR 148.A N HIS 170.A O no hydrogen 2.818 N/A ILE 149.A N SER 142.A O no hydrogen 2.887 N/A ARG 150.A N HIS 168.A O no hydrogen 2.822 N/A ARG 150.A NE GLU 141.A OE2 no hydrogen 2.968 N/A ARG 150.A NH2 GLU 141.A OE2 no hydrogen 3.486 N/A GLU 151.A N SER 140.A O no hydrogen 3.053 N/A PHE 152.A N ILE 166.A O no hydrogen 2.835 N/A LYS 153.A N GLN 137.A O no hydrogen 2.818 N/A ILE 154.A N ARG 164.A O no hydrogen 2.883 N/A CYS 155.A N ILE 135.A O no hydrogen 2.974 N/A CYS 155.A SG ALA 162.A O no hydrogen 3.809 N/A GLN 159.A N ASP 161.A O no hydrogen 3.294 N/A ARG 164.A N ILE 154.A O no hydrogen 3.015 N/A ARG 164.A NE ASP 161.A OD2 no hydrogen 2.894 N/A ARG 164.A NH1 VAL 107.A O no hydrogen 2.960 N/A ARG 164.A NH1 VAL 112.A O no hydrogen 3.010 N/A ARG 164.A NH2 TRP 108.A O no hydrogen 2.913 N/A ARG 164.A NH2 ASP 161.A OD1 no hydrogen 3.098 N/A ARG 164.A NH2 ASP 161.A OD2 no hydrogen 3.420 N/A ILE 166.A N PHE 152.A O no hydrogen 2.813 N/A ARG 167.A N HIS 113.A O no hydrogen 2.969 N/A HIS 168.A N ARG 150.A O no hydrogen 2.835 N/A HIS 168.A NE2 TYR 121.A OH no hydrogen 2.735 N/A PHE 169.A N ILE 115.A O no hydrogen 2.807 N/A HIS 170.A N THR 148.A O no hydrogen 2.870 N/A HIS 170.A NE2 THR 119.A O no hydrogen 2.590 N/A TYR 171.A N MET 117.A O no hydrogen 2.917 N/A TYR 171.A OH SER 185.A OG no hydrogen 2.584 N/A THR 172.A N GLU 146.A O no hydrogen 3.008 N/A TRP 174.A NE1 GLY 178.A O no hydrogen 3.009 N/A THR 183.A OG1 ASP 268.A OD2 no hydrogen 2.589 N/A GLN 184.A NE2 GLN 184.A O no hydrogen 3.677 N/A SER 185.A N THR 182.A OG1 no hydrogen 3.100 N/A SER 185.A OG GLU 146.A OE1 no hydrogen 3.166 N/A SER 185.A OG GLU 146.A OE2 no hydrogen 3.441 N/A SER 185.A OG TYR 171.A OH no hydrogen 2.584 N/A ILE 187.A N THR 183.A O no hydrogen 3.011 N/A GLN 188.A N GLN 184.A O no hydrogen 2.868 N/A PHE 189.A N SER 185.A O no hydrogen 3.040 N/A VAL 190.A N LEU 186.A O no hydrogen 2.868 N/A ARG 191.A N ILE 187.A O no hydrogen 2.940 N/A THR 192.A N GLN 188.A O no hydrogen 2.950 N/A THR 192.A OG1 GLN 188.A O no hydrogen 2.893 N/A VAL 193.A N PHE 189.A O no hydrogen 2.952 N/A ARG 194.A N VAL 190.A O no hydrogen 2.843 N/A ARG 194.A NE ASP 224.A OD1 no hydrogen 3.031 N/A ARG 194.A NH1 ASN 198.A OD1 no hydrogen 3.196 N/A ARG 194.A NH2 GLU 88.A OE1 no hydrogen 3.419 N/A ARG 194.A NH2 ASP 224.A OD2 no hydrogen 2.657 N/A ASP 195.A N ARG 191.A O no hydrogen 2.952 N/A TYR 196.A N THR 192.A O no hydrogen 3.068 N/A ILE 197.A N VAL 193.A O no hydrogen 2.762 N/A ASN 198.A N ARG 194.A O no hydrogen 2.807 N/A ARG 199.A N ASP 195.A O no hydrogen 3.224 N/A SER 200.A OG.B TYR 196.A O no hydrogen 3.113 N/A SER 200.A OG.B ILE 197.A O no hydrogen 2.587 N/A GLY 202.A N SER 200.A OG.A no hydrogen 3.041 N/A THR 206.A N GLU 88.A O no hydrogen 3.003 N/A VAL 207.A N ASN 114.A O no hydrogen 3.128 N/A VAL 208.A N ILE 90.A O no hydrogen 2.817 N/A HIS 209.A N VAL 116.A O no hydrogen 2.924 N/A HIS 209.A ND1 CYS 210.A O no hydrogen 3.070 N/A HIS 209.A NE2 TYR 121.A OH no hydrogen 2.688 N/A SER 211.A OG TYR 56.A OH no hydrogen 2.732 N/A GLY 215.A N GLN 254.A OE1 no hydrogen 3.191 N/A ARG 216.A NH2 ASP 176.A O no hydrogen 3.109 N/A GLY 218.A N VAL 214.A O no hydrogen 2.773 N/A THR 219.A N GLY 215.A O no hydrogen 2.914 N/A THR 219.A OG1 GLY 215.A O no hydrogen 2.906 N/A PHE 220.A N ARG 216.A O no hydrogen 2.933 N/A ILE 221.A N THR 217.A O no hydrogen 3.048 N/A ALA 222.A N GLY 218.A O no hydrogen 2.852 N/A LEU 223.A N THR 219.A O no hydrogen 2.984 N/A ASP 224.A N PHE 220.A O no hydrogen 2.923 N/A ARG 225.A N ILE 221.A O no hydrogen 2.897 N/A ARG 225.A NH1 PRO 81.A O no hydrogen 3.119 N/A ARG 225.A NH1 ASP 244.A OD2.A no hydrogen 3.093 N/A ARG 225.A NH2 ASP 244.A OD2.A no hydrogen 3.563 N/A ILE 226.A N ALA 222.A O no hydrogen 2.760 N/A LEU 227.A N LEU 223.A O no hydrogen 2.858 N/A GLN 228.A N ASP 224.A O no hydrogen 3.159 N/A GLN 228.A NE2 ASP 224.A O no hydrogen 3.069 N/A GLN 229.A N ARG 225.A O no hydrogen 2.974 N/A LEU 230.A N ILE 226.A O no hydrogen 2.957 N/A ASP 231.A N LEU 227.A O no hydrogen 3.154 N/A ASP 231.A N GLN 228.A O no hydrogen 3.195 N/A SER 232.A N GLN 229.A O no hydrogen 3.068 N/A SER 232.A OG.A GLN 228.A O no hydrogen 3.541 N/A SER 232.A OG.B GLN 228.A O no hydrogen 2.970 N/A SER 232.A OG.B GLN 229.A O no hydrogen 3.212 N/A LYS 233.A N GLN 229.A O no hydrogen 2.911 N/A VAL 236.A N ILE 6.A O no hydrogen 2.850 N/A ASP 237.A N GLN 229.A OE1 no hydrogen 2.813 N/A TYR 239.A OH LYS 1.A O no hydrogen 3.293 N/A GLY 240.A N ASP 237.A OD1 no hydrogen 2.857 N/A ALA 241.A N ASP 237.A O no hydrogen 3.126 N/A VAL 242.A N ILE 238.A O no hydrogen 3.005 N/A HIS 243.A N TYR 239.A O no hydrogen 2.922 N/A HIS 243.A ND1 ASP 244.A OD1.B no hydrogen 3.329 N/A ASP 244.A N GLY 240.A O no hydrogen 2.959 N/A LEU 245.A N ALA 241.A O no hydrogen 3.029 N/A ARG 246.A N VAL 242.A O no hydrogen 2.939 N/A ARG 246.A NE MET 252.A O no hydrogen 2.984 N/A ARG 246.A NE VAL 253.A O no hydrogen 2.964 N/A ARG 246.A NH2 VAL 253.A O no hydrogen 2.747 N/A LEU 247.A N HIS 243.A O no hydrogen 3.067 N/A HIS 248.A N LEU 245.A O no hydrogen 2.878 N/A HIS 248.A ND1 ASP 244.A O no hydrogen 2.763 N/A ARG 249.A N LEU 245.A O no hydrogen 3.212 N/A ARG 249.A NE GLY 213.A O no hydrogen 2.858 N/A ARG 249.A NH1 ASN 76.A OD1 no hydrogen 3.150 N/A ARG 249.A NH1 SER 78.A OG no hydrogen 2.868 N/A ARG 249.A NH2 ASN 76.A OD1 no hydrogen 2.865 N/A ARG 249.A NH2 ALA 212.A O no hydrogen 2.856 N/A GLN 254.A N GLN 258.A OE1 no hydrogen 2.782 N/A THR 255.A N GLN 258.A OE1 no hydrogen 3.235 N/A GLN 258.A N THR 255.A OG1 no hydrogen 2.991 N/A TYR 259.A N THR 255.A O no hydrogen 3.187 N/A TYR 259.A OH GLU 29.A OE2 no hydrogen 2.641 N/A VAL 260.A N GLU 256.A O no hydrogen 2.884 N/A TYR 261.A N CYS 257.A O no hydrogen 2.945 N/A TYR 261.A OH THR 182.A O no hydrogen 2.698 N/A LEU 262.A N GLN 258.A O no hydrogen 3.023 N/A HIS 263.A N TYR 259.A O no hydrogen 3.224 N/A HIS 263.A ND1 TYR 259.A O no hydrogen 2.879 N/A GLN 264.A N VAL 260.A O no hydrogen 2.844 N/A CYS 265.A N TYR 261.A O no hydrogen 2.866 N/A CYS 265.A SG TYR 261.A O no hydrogen 3.442 N/A VAL 266.A N LEU 262.A O no hydrogen 3.203 N/A ARG 267.A N HIS 263.A O no hydrogen 2.928 N/A ARG 267.A NE ASP 268.A OD1 no hydrogen 2.896 N/A ARG 267.A NH2 ASP 268.A OD1 no hydrogen 3.237 N/A ASP 268.A N GLN 264.A O no hydrogen 2.944 N/A VAL 269.A N CYS 265.A O no hydrogen 3.050 N/A LEU 270.A N VAL 266.A O no hydrogen 3.026 N/A ARG 271.A N ARG 267.A O no hydrogen 2.990 N/A ARG 271.A NE GLU 12.A OE1 no hydrogen 2.975 N/A ARG 271.A NE GLU 12.A OE2 no hydrogen 3.440 N/A ARG 271.A NH2 GLU 12.A OE2 no hydrogen 2.957 N/A ALA 272.A N ASP 268.A O no hydrogen 3.218 N/A ARG 273.A N VAL 269.A O no hydrogen 3.079 N/A ARG 273.A NH1 LEU 230.A O no hydrogen 2.788 N/A ARG 273.A NH2 ASP 231.A OD1 no hydrogen 2.302 N/A LYS 274.A N LEU 270.A O no hydrogen 3.074 N/A LEU 275.A N ALA 272.A O no hydrogen 3.323 N/A ARG 276.A N ARG 273.A O no hydrogen 3.153 N/A