Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2cit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ILE 243.A O no hydrogen 2.897 N/A ILE 3.A N ASP 28.A OD2 no hydrogen 2.839 N/A GLY 4.A N ALA 245.A O no hydrogen 2.914 N/A ALA 5.A N ILE 29.A O no hydrogen 3.229 N/A TRP 6.A N TRP 247.A O no hydrogen 2.962 N/A TRP 6.A NE1 GLU 250.A OE1 no hydrogen 2.740 N/A GLN 10.A NE2 PHE 33.A O no hydrogen 2.889 N/A SER 12.A N GLN 10.A O no hydrogen 2.851 N/A ALA 15.A N SER 12.A OG no hydrogen 3.092 N/A ILE 16.A N SER 12.A O no hydrogen 2.970 N/A LYS 17.A N GLU 13.A O no hydrogen 2.976 N/A LYS 17.A NZ GLU 13.A OE2 no hydrogen 2.484 N/A SER 18.A N SER 14.A O no hydrogen 2.861 N/A SER 18.A OG.A SER 14.A O no hydrogen 3.167 N/A SER 18.A OG.A ALA 15.A O no hydrogen 3.137 N/A SER 18.A OG.B SER 14.A O no hydrogen 2.709 N/A PHE 19.A N ALA 15.A O no hydrogen 3.128 N/A GLN 20.A N ILE 16.A O no hydrogen 2.930 N/A GLN 20.A NE2 ASN 53.A OD1 no hydrogen 3.070 N/A GLU 21.A N LYS 17.A O no hydrogen 2.896 N/A LEU 22.A N SER 18.A O no hydrogen 2.871 N/A GLN 23.A N PHE 19.A O no hydrogen 2.862 N/A GLN 23.A NE2 ARG 25.A O no hydrogen 2.899 N/A GLY 24.A N GLN 20.A O no hydrogen 2.949 N/A GLY 24.A N GLU 21.A O no hydrogen 3.074 N/A ARG 25.A N GLN 20.A O no hydrogen 3.249 N/A ARG 25.A NE GLY 273.A O no hydrogen 3.154 N/A ARG 25.A NH1 ASP 28.A OD2 no hydrogen 3.483 N/A ARG 25.A NH2 LYS 26.A O no hydrogen 2.823 N/A ARG 25.A NH2 ASP 28.A OD1 no hydrogen 3.395 N/A ARG 25.A NH2 ASP 28.A OD2 no hydrogen 2.941 N/A LYS 26.A NZ GLY 54.A O no hydrogen 2.879 N/A LEU 27.A N GLN 20.A OE1 no hydrogen 2.884 N/A ASP 28.A N ILE 3.A O no hydrogen 2.776 N/A ILE 29.A N ILE 3.A O no hydrogen 3.186 N/A VAL 30.A N ILE 56.A O no hydrogen 2.875 N/A HIS 31.A N ALA 5.A O no hydrogen 2.919 N/A HIS 31.A NE2 THR 60.A OG1 no hydrogen 2.598 N/A GLN 32.A N MET 58.A O no hydrogen 2.861 N/A GLN 32.A NE2 GLN 10.A OE1 no hydrogen 2.884 N/A ILE 34.A N THR 60.A O no hydrogen 2.947 N/A TRP 36.A N GLU 65.A OE1 no hydrogen 2.866 N/A SER 37.A N ASN 35.A OD1 no hydrogen 2.921 N/A SER 37.A OG ASN 35.A OD1 no hydrogen 3.178 N/A SER 37.A OG GLU 65.A OE2 no hydrogen 2.693 N/A THR 38.A OG1 ASN 35.A OD1 no hydrogen 2.726 N/A TRP 42.A N ASP 39.A O no hydrogen 2.980 N/A VAL 43.A N ASP 39.A O no hydrogen 3.472 N/A ARG 44.A N PHE 40.A O no hydrogen 2.790 N/A ARG 44.A NE ASP 48.A OD2 no hydrogen 3.232 N/A ALA 47.A N VAL 43.A O no hydrogen 2.949 N/A ASP 48.A N ARG 44.A O no hydrogen 2.768 N/A ALA 49.A N PRO 45.A O no hydrogen 3.151 N/A VAL 50.A N TYR 46.A O no hydrogen 2.948 N/A TYR 51.A N ALA 47.A O no hydrogen 2.883 N/A TYR 51.A OH GLU 93.A O no hydrogen 2.445 N/A ASN 52.A N ASP 48.A O no hydrogen 2.842 N/A ASN 53.A N ALA 49.A O no hydrogen 3.090 N/A ASN 53.A ND2 GLN 20.A OE1 no hydrogen 2.872 N/A ASN 53.A ND2 SER 55.A OG no hydrogen 2.797 N/A GLY 54.A N TYR 51.A O no hydrogen 2.989 N/A SER 55.A N VAL 50.A O no hydrogen 3.039 N/A SER 55.A OG LEU 27.A O no hydrogen 2.640 N/A ILE 56.A N ASP 28.A O no hydrogen 2.919 N/A LEU 57.A N TYR 51.A OH no hydrogen 3.091 N/A MET 58.A N VAL 30.A O no hydrogen 2.926 N/A ILE 59.A N TRP 95.A O no hydrogen 2.839 N/A THR 60.A N GLN 32.A O no hydrogen 2.824 N/A THR 60.A OG1 HIS 31.A NE2 no hydrogen 2.598 N/A TRP 61.A N ARG 97.A O no hydrogen 2.990 N/A TRP 61.A NE1 TYR 79.A OH no hydrogen 2.961 N/A GLU 62.A N ILE 34.A O no hydrogen 2.765 N/A TRP 64.A N GLU 62.A O no hydrogen 2.891 N/A TRP 64.A NE1 GLU 62.A OE1 no hydrogen 2.902 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.754 N/A TYR 66.A N PRO 63.A O no hydrogen 3.197 N/A ASN 67.A N ASP 70.A OD2 no hydrogen 2.917 N/A THR 68.A N ASN 118.A OD1 no hydrogen 3.164 N/A THR 68.A OG1 ASN 118.A OD1 no hydrogen 2.661 N/A THR 68.A OG1 THR 122.A OG1 no hydrogen 2.664 N/A ASP 70.A N ASN 67.A OD1 no hydrogen 2.886 N/A ILE 71.A N ASN 67.A O no hydrogen 2.947 N/A LYS 72.A N THR 68.A O no hydrogen 2.827 N/A LYS 72.A NZ ASN 73.A OD1 no hydrogen 2.870 N/A ASN 73.A N VAL 69.A O no hydrogen 2.982 N/A GLY 74.A N ILE 71.A O no hydrogen 3.018 N/A LYS 75.A N ASP 70.A O no hydrogen 2.952 N/A ASP 77.A N GLY 74.A O no hydrogen 3.053 N/A TYR 79.A OH THR 38.A O no hydrogen 2.665 N/A ILE 80.A N ALA 76.A O no hydrogen 2.938 N/A THR 81.A N ASP 77.A O no hydrogen 2.836 N/A THR 81.A OG1 ASP 77.A O no hydrogen 2.683 N/A ARG 82.A N ALA 78.A O no hydrogen 3.072 N/A ARG 82.A NH1 ASP 39.A OD1 no hydrogen 2.772 N/A ARG 82.A NH1 ASP 39.A OD2 no hydrogen 3.384 N/A MET 83.A N TYR 79.A O no hydrogen 3.065 N/A ALA 84.A N ILE 80.A O no hydrogen 2.905 N/A GLN 85.A N THR 81.A O no hydrogen 2.863 N/A GLN 85.A NE2 ASN 137.A OD1 no hydrogen 3.565 N/A ASP 86.A N ARG 82.A O no hydrogen 2.860 N/A MET 87.A N MET 83.A O no hydrogen 2.812 N/A LYS 88.A N ALA 84.A O no hydrogen 2.887 N/A ALA 89.A N GLN 85.A O no hydrogen 2.957 N/A TYR 90.A N ASP 86.A O no hydrogen 2.892 N/A TYR 90.A OH ASP 48.A OD1 no hydrogen 2.606 N/A GLY 91.A N MET 87.A O no hydrogen 2.977 N/A LYS 92.A NZ TYR 90.A OH no hydrogen 3.234 N/A ILE 94.A N ASN 141.A O no hydrogen 3.105 N/A TRP 95.A N LEU 57.A O no hydrogen 2.907 N/A TRP 95.A NE1 GLU 93.A OE2 no hydrogen 2.870 N/A LEU 96.A N LYS 143.A O no hydrogen 2.803 N/A ARG 97.A N ILE 59.A O no hydrogen 2.793 N/A ARG 97.A NE THR 60.A OG1 no hydrogen 2.823 N/A ARG 97.A NH1 ASP 175.A OD2 no hydrogen 2.549 N/A ARG 97.A NH2 THR 60.A OG1 no hydrogen 2.924 N/A ARG 97.A NH2 GLU 214.A OE2 no hydrogen 2.935 N/A LEU 99.A N TRP 61.A O no hydrogen 3.285 N/A ALA 101.A N ASN 147.A OD1 no hydrogen 2.811 N/A ASN 103.A ND2 ASN 149.A O no hydrogen 3.018 N/A ASN 103.A ND2 ASN 152.A OD1 no hydrogen 2.786 N/A GLY 104.A N ALA 101.A O no hydrogen 2.955 N/A TYR 107.A OH HIS 100.A NE2 no hydrogen 3.175 N/A TRP 109.A NE1 HIS 100.A O no hydrogen 2.785 N/A ALA 110.A N TYR 107.A O no hydrogen 2.944 N/A ILE 111.A N ALA 102.A O no hydrogen 2.796 N/A GLY 112.A N GLY 104.A O no hydrogen 3.063 N/A TYR 113.A N ALA 110.A O no hydrogen 3.079 N/A ARG 116.A N TYR 113.A O no hydrogen 2.996 N/A VAL 117.A N SER 115.A OG no hydrogen 3.280 N/A ASN 118.A ND2 PRO 108.A O no hydrogen 2.854 N/A ASN 118.A ND2 ALA 110.A O no hydrogen 2.957 N/A THR 119.A N THR 122.A OG1 no hydrogen 2.908 N/A THR 119.A OG1 GLU 121.A OE1 no hydrogen 3.534 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.884 N/A THR 122.A N THR 119.A OG1 no hydrogen 3.077 N/A THR 122.A OG1 THR 68.A OG1 no hydrogen 2.664 N/A THR 122.A OG1 THR 119.A O no hydrogen 3.259 N/A TYR 123.A N THR 119.A O no hydrogen 2.921 N/A TYR 123.A OH LEU 99.A O no hydrogen 2.650 N/A ILE 124.A N ASN 120.A O no hydrogen 2.925 N/A ALA 125.A N GLU 121.A O no hydrogen 2.994 N/A ALA 126.A N THR 122.A O no hydrogen 2.896 N/A PHE 127.A N TYR 123.A O no hydrogen 2.875 N/A ARG 128.A N ILE 124.A O no hydrogen 2.913 N/A ARG 128.A NE PRO 164.A O no hydrogen 2.878 N/A ARG 128.A NH2 PRO 164.A O no hydrogen 2.951 N/A HIS 129.A N ALA 125.A O no hydrogen 2.956 N/A HIS 129.A NE2 ASP 77.A OD2 no hydrogen 2.588 N/A ILE 130.A N ALA 126.A O no hydrogen 3.043 N/A VAL 131.A N PHE 127.A O no hydrogen 3.074 N/A ASP 132.A N ARG 128.A O no hydrogen 2.827 N/A ILE 133.A N HIS 129.A O no hydrogen 3.037 N/A PHE 134.A N ILE 130.A O no hydrogen 3.043 N/A ARG 135.A N VAL 131.A O no hydrogen 2.869 N/A ARG 135.A NH1 ASN 167.A O no hydrogen 2.957 N/A ARG 135.A NH2 ASN 167.A O no hydrogen 2.808 N/A ALA 136.A N ASP 132.A O no hydrogen 2.873 N/A ASN 137.A N ILE 133.A O no hydrogen 3.110 N/A ASN 137.A N PHE 134.A O no hydrogen 3.132 N/A ASN 137.A ND2 ILE 133.A O no hydrogen 2.810 N/A GLY 138.A N ARG 135.A O no hydrogen 3.054 N/A ALA 139.A N PHE 134.A O no hydrogen 3.001 N/A THR 140.A N GLY 138.A O no hydrogen 2.770 N/A ASN 141.A ND2 MET 87.A O no hydrogen 2.932 N/A ASN 141.A ND2 LYS 92.A O no hydrogen 2.900 N/A VAL 142.A N ALA 139.A O no hydrogen 3.143 N/A LYS 143.A N ILE 94.A O no hydrogen 2.821 N/A LYS 143.A NZ THR 140.A O no hydrogen 2.940 N/A TRP 144.A N ASP 170.A OD2 no hydrogen 2.841 N/A VAL 145.A N LEU 96.A O no hydrogen 2.848 N/A PHE 146.A N TYR 171.A O no hydrogen 2.844 N/A ASN 147.A ND2 SER 173.A OG no hydrogen 2.879 N/A VAL 148.A N SER 173.A O no hydrogen 2.958 N/A ASN 149.A N ASN 103.A OD1 no hydrogen 2.744 N/A CYS 150.A N ASP 175.A O no hydrogen 2.792 N/A ASP 151.A N ASN 149.A OD1 no hydrogen 3.229 N/A VAL 153.A N ASN 103.A O no hydrogen 2.853 N/A THR 157.A OG1 GLY 154.A O no hydrogen 2.765 N/A TYR 159.A OH CYS 150.A O no hydrogen 2.664 N/A GLY 161.A N SER 158.A OG no hydrogen 2.874 N/A HIS 162.A NE2 ASN 147.A O no hydrogen 3.371 N/A TYR 163.A N LEU 160.A O no hydrogen 3.059 N/A TYR 163.A OH ASP 166.A OD1 no hydrogen 2.654 N/A TYR 168.A N GLY 165.A O no hydrogen 2.915 N/A VAL 169.A N ASP 166.A O no hydrogen 3.338 N/A ASP 170.A N TRP 144.A O no hydrogen 2.815 N/A TYR 171.A N TRP 144.A O no hydrogen 3.052 N/A THR 172.A N PRO 209.A O no hydrogen 2.957 N/A SER 173.A OG PHE 146.A O no hydrogen 2.744 N/A ILE 174.A N ILE 211.A O no hydrogen 2.989 N/A ASP 175.A N VAL 148.A O no hydrogen 3.026 N/A GLY 176.A N GLU 214.A O no hydrogen 3.023 N/A TYR 177.A OH GLU 214.A OE1 no hydrogen 2.928 N/A ASN 178.A N ALA 216.A O no hydrogen 3.064 N/A ASN 178.A ND2 SER 217.A OG no hydrogen 2.920 N/A GLY 180.A N ASN 178.A OD1 no hydrogen 2.986 N/A THR 181.A N ILE 220.A O no hydrogen 2.934 N/A THR 181.A OG1 ILE 220.A O no hydrogen 3.535 N/A THR 182.A N TRP 179.A O no hydrogen 3.237 N/A THR 182.A OG1 TRP 179.A O no hydrogen 2.718 N/A GLN 183.A N SER 187.A OG no hydrogen 2.897 N/A GLN 183.A NE2 THR 182.A OG1 no hydrogen 2.919 N/A GLY 186.A N GLN 183.A O no hydrogen 3.003 N/A SER 187.A N GLN 183.A O no hydrogen 3.340 N/A SER 187.A OG GLY 180.A O no hydrogen 2.757 N/A GLN 190.A N ASN 178.A OD1 no hydrogen 2.885 N/A SER 191.A N GLN 194.A OE1 no hydrogen 2.757 N/A GLN 194.A N SER 191.A OG no hydrogen 3.137 N/A VAL 195.A N SER 191.A O no hydrogen 2.957 N/A PHE 196.A N PHE 192.A O no hydrogen 2.909 N/A SER 197.A N ASP 193.A O no hydrogen 2.962 N/A SER 197.A OG.A ASP 193.A O no hydrogen 3.085 N/A SER 197.A OG.B ASP 193.A O no hydrogen 2.753 N/A SER 197.A OG.B TYR 239.A OH no hydrogen 2.604 N/A ARG 198.A NH1 ASP 151.A OD1 no hydrogen 2.795 N/A ARG 198.A NH2 ASP 151.A OD1 no hydrogen 2.749 N/A ARG 198.A NH2 GLN 194.A O no hydrogen 3.471 N/A TYR 200.A N PHE 196.A O no hydrogen 3.014 N/A GLN 201.A N SER 197.A O no hydrogen 2.895 N/A ALA 202.A N ARG 198.A O no hydrogen 3.241 N/A LEU 203.A N ALA 199.A O no hydrogen 2.994 N/A ALA 204.A N TYR 200.A O no hydrogen 2.747 N/A SER 205.A N ALA 202.A O no hydrogen 3.303 N/A SER 205.A OG.A ALA 202.A O no hydrogen 2.646 N/A ILE 206.A N LEU 203.A O no hydrogen 3.029 N/A LYS 208.A N ILE 206.A O no hydrogen 2.799 N/A LYS 208.A NZ ASP 166.A O no hydrogen 3.220 N/A LYS 208.A NZ VAL 169.A O no hydrogen 2.750 N/A ILE 210.A N LYS 241.A O no hydrogen 2.996 N/A ILE 211.A N THR 172.A O no hydrogen 2.873 N/A ILE 212.A N ALA 244.A O no hydrogen 2.939 N/A ALA 213.A N ILE 174.A O no hydrogen 3.154 N/A SER 217.A OG ALA 218.A O no hydrogen 2.849 N/A ALA 218.A N ASN 178.A O no hydrogen 2.832 N/A LYS 224.A NZ SER 217.A O no hydrogen 2.822 N/A LYS 224.A NZ ARG 257.A O no hydrogen 2.837 N/A LYS 224.A NZ SER 260.A OG no hydrogen 2.721 N/A ARG 226.A N ASN 223.A OD1 no hydrogen 2.999 N/A TRP 227.A N ASN 223.A O no hydrogen 2.987 N/A TRP 227.A NE1 GLN 190.A O no hydrogen 2.762 N/A ILE 228.A N LYS 224.A O no hydrogen 2.901 N/A THR 229.A N ALA 225.A O no hydrogen 3.046 N/A THR 229.A OG1 ALA 225.A O no hydrogen 3.215 N/A GLU 230.A N ARG 226.A O no hydrogen 2.830 N/A ALA 231.A N TRP 227.A O no hydrogen 2.757 N/A TYR 232.A N ILE 228.A O no hydrogen 3.108 N/A ASN 233.A N THR 229.A O no hydrogen 3.106 N/A SER 234.A N GLU 230.A O no hydrogen 2.805 N/A SER 234.A OG GLU 230.A O no hydrogen 3.006 N/A ILE 235.A N ALA 231.A O no hydrogen 2.873 N/A ARG 236.A N TYR 232.A O no hydrogen 3.135 N/A ARG 236.A NH1.A ALA 271.A O no hydrogen 2.728 N/A ARG 236.A NH1.B ALA 271.A O no hydrogen 2.747 N/A ARG 236.A NH2.A ILE 272.A O no hydrogen 3.063 N/A ARG 236.A NH2.B ASN 233.A OD1 no hydrogen 2.820 N/A THR 237.A N ASN 233.A O no hydrogen 2.861 N/A THR 237.A N SER 234.A O no hydrogen 3.198 N/A THR 237.A OG1.A ASN 233.A O no hydrogen 2.724 N/A THR 237.A OG1.A SER 234.A O no hydrogen 3.374 N/A THR 237.A OG1.B ASN 233.A O no hydrogen 2.592 N/A SER 238.A N SER 234.A O no hydrogen 2.811 N/A SER 238.A OG.B SER 234.A O no hydrogen 3.382 N/A TYR 239.A N ILE 235.A O no hydrogen 3.242 N/A TYR 239.A OH ASP 193.A OD1.A no hydrogen 2.585 N/A TYR 239.A OH ASP 193.A OD1.B no hydrogen 2.883 N/A ASN 240.A ND2 THR 237.A O no hydrogen 3.248 N/A LYS 241.A N TYR 200.A OH no hydrogen 2.948 N/A LYS 241.A NZ ILE 206.A O no hydrogen 3.231 N/A LYS 241.A NZ LYS 208.A O no hydrogen 3.076 N/A VAL 242.A N TYR 239.A O no hydrogen 2.885 N/A ILE 243.A N ILE 210.A O no hydrogen 2.802 N/A ALA 245.A N LYS 2.A O no hydrogen 2.851 N/A VAL 246.A N ILE 212.A O no hydrogen 2.777 N/A TRP 247.A N GLY 4.A O no hydrogen 3.002 N/A TRP 247.A NE1 TRP 256.A O no hydrogen 2.838 N/A PHE 248.A N PHE 215.A O no hydrogen 2.842 N/A HIS 249.A N TRP 6.A O no hydrogen 3.022 N/A HIS 249.A NE2 ASN 259.A OD1 no hydrogen 3.131 N/A LYS 252.A N THR 254.A O no hydrogen 2.974 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.752 N/A TRP 256.A N GLU 250.A O no hydrogen 3.315 N/A TRP 256.A NE1 GLU 253.A OE1 no hydrogen 2.862 N/A ARG 257.A N ASP 255.A OD1 no hydrogen 3.281 N/A ARG 257.A NE ASP 255.A OD1 no hydrogen 2.862 N/A ARG 257.A NH2 ASP 255.A OD2 no hydrogen 2.884 N/A SER 260.A N ARG 257.A O no hydrogen 3.134 N/A SER 260.A OG GLU 219.A OE2 no hydrogen 2.600 N/A SER 260.A OG ARG 257.A O no hydrogen 3.129 N/A SER 261.A OG GLU 219.A OE1 no hydrogen 3.529 N/A SER 261.A OG GLU 219.A OE2 no hydrogen 2.697 N/A ALA 264.A N SER 261.A OG no hydrogen 3.078 N/A LEU 265.A N SER 261.A O no hydrogen 3.172 N/A ALA 266.A N PRO 262.A O no hydrogen 2.963 N/A ALA 267.A N GLU 263.A O no hydrogen 3.001 N/A TYR 268.A N ALA 264.A O no hydrogen 2.903 N/A TYR 268.A OH.A TYR 232.A OH no hydrogen 2.796 N/A TYR 268.A OH.B GLN 23.A OE1 no hydrogen 2.917 N/A ARG 269.A N LEU 265.A O no hydrogen 2.864 N/A ARG 269.A NE LEU 22.A O no hydrogen 2.795 N/A ARG 269.A NH1 LEU 22.A O no hydrogen 2.980 N/A GLU 270.A N ALA 266.A O no hydrogen 3.144 N/A ALA 271.A N ALA 267.A O no hydrogen 2.840 N/A ILE 272.A N TYR 268.A O no hydrogen 3.066 N/A GLY 273.A N GLU 270.A O no hydrogen 3.279 N/A