Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 LEU 32.A O no hydrogen 3.302 N/A GLN 5.A N ALA 1.A O no hydrogen 3.044 N/A LYS 6.A N ASP 2.A O no hydrogen 2.962 N/A LYS 6.A NZ ASP 2.A OD1 no hydrogen 3.047 N/A LYS 6.A NZ ASP 2.A OD2 no hydrogen 2.807 N/A LEU 7.A N VAL 3.A O no hydrogen 2.824 N/A ALA 8.A N GLN 4.A O no hydrogen 2.819 N/A GLU 9.A N GLN 5.A O no hydrogen 2.861 N/A LEU 10.A N LYS 6.A O no hydrogen 2.945 N/A GLU 11.A N LEU 7.A O no hydrogen 2.856 N/A ARG 12.A N ALA 8.A O no hydrogen 2.817 N/A ARG 12.A NE GLU 9.A OE1 no hydrogen 3.266 N/A ARG 12.A NE GLU 9.A OE2 no hydrogen 2.833 N/A ARG 12.A NH2 GLU 9.A OE2 no hydrogen 3.083 N/A GLN 13.A N GLU 9.A O no hydrogen 2.828 N/A SER 14.A N LEU 10.A O no hydrogen 3.012 N/A SER 14.A OG LEU 10.A O no hydrogen 3.525 N/A SER 14.A OG GLU 11.A O no hydrogen 2.634 N/A GLY 15.A N GLU 11.A O no hydrogen 3.212 N/A GLY 15.A N ARG 12.A O no hydrogen 3.221 N/A GLY 16.A N SER 14.A OG no hydrogen 3.016 N/A ARG 17.A N THR 237.A O no hydrogen 2.692 N/A ARG 17.A NH1 GLU 37.A OE1 no hydrogen 2.905 N/A ARG 17.A NH1 ARG 38.A O no hydrogen 3.050 N/A ARG 17.A NH2 ARG 38.A O no hydrogen 2.890 N/A LEU 18.A N GLU 11.A OE2 no hydrogen 2.838 N/A GLY 19.A N TYR 235.A O no hydrogen 2.730 N/A VAL 20.A N TYR 33.A O no hydrogen 2.747 N/A ALA 21.A N VAL 233.A O no hydrogen 2.976 N/A LEU 22.A N ILE 31.A O no hydrogen 2.830 N/A ILE 23.A N ILE 231.A O no hydrogen 2.756 N/A ASN 24.A N SER 29.A O no hydrogen 2.767 N/A THR 25.A N PRO 229.A O no hydrogen 2.997 N/A THR 25.A OG1 PRO 229.A O no hydrogen 2.654 N/A ALA 26.A N ASN 24.A OD1 no hydrogen 2.941 N/A ASP 27.A N ASN 24.A O no hydrogen 3.401 N/A SER 29.A N ASP 27.A OD1 no hydrogen 3.178 N/A SER 29.A OG ASP 27.A OD1 no hydrogen 2.490 N/A SER 29.A OG ASP 27.A OD2 no hydrogen 3.257 N/A ILE 31.A N LEU 22.A O no hydrogen 2.995 N/A TYR 33.A N VAL 20.A O no hydrogen 2.859 N/A TYR 33.A OH GLU 11.A OE1 no hydrogen 2.580 N/A ARG 34.A NE GLU 11.A OE1 no hydrogen 3.372 N/A ARG 34.A NE GLU 11.A OE2 no hydrogen 2.589 N/A ARG 34.A NH1 GLU 37.A OE2 no hydrogen 2.817 N/A ARG 34.A NH2 GLU 11.A OE1 no hydrogen 3.057 N/A GLU 37.A N ARG 34.A O no hydrogen 3.027 N/A ARG 38.A NH1 THR 132.A O no hydrogen 2.860 N/A ARG 38.A NH1 THR 153.A OG1 no hydrogen 2.853 N/A ARG 38.A NH2 THR 132.A O no hydrogen 2.936 N/A PHE 39.A N THR 154.A O no hydrogen 2.849 N/A MET 41.A N ASP 152.A O no hydrogen 2.941 N/A CYS 42.A SG ALA 40.A O no hydrogen 4.017 N/A SER 43.A OG SER 103.A OG no hydrogen 3.006 N/A THR 44.A N MET 41.A O no hydrogen 3.003 N/A THR 44.A OG1 MET 41.A O no hydrogen 2.621 N/A THR 44.A OG1 TYR 235.A OH no hydrogen 2.978 N/A SER 45.A N CYS 42.A O no hydrogen 3.093 N/A SER 45.A OG CYS 42.A O no hydrogen 2.713 N/A LYS 46.A N SER 43.A O no hydrogen 2.966 N/A LYS 46.A NZ SER 43.A OG no hydrogen 3.293 N/A LYS 46.A NZ SER 103.A OG no hydrogen 2.788 N/A LYS 46.A NZ ASN 105.A OD1 no hydrogen 2.899 N/A VAL 47.A N THR 44.A O no hydrogen 3.396 N/A ALA 49.A N SER 45.A O no hydrogen 3.241 N/A ALA 50.A N LYS 46.A O no hydrogen 2.893 N/A ALA 51.A N VAL 47.A O no hydrogen 2.819 N/A ALA 52.A N MET 48.A O no hydrogen 2.902 N/A VAL 53.A N ALA 49.A O no hydrogen 3.197 N/A LEU 54.A N ALA 50.A O no hydrogen 2.900 N/A LYS 55.A N ALA 51.A O no hydrogen 2.795 N/A LYS 55.A NZ GLU 58.A OE1 no hydrogen 2.720 N/A LYS 55.A NZ GLU 58.A OE2 no hydrogen 3.250 N/A LYS 55.A NZ ALA 171.A O no hydrogen 2.918 N/A LYS 56.A N ALA 52.A O no hydrogen 2.886 N/A LYS 56.A NZ GLU 60.A OE1 no hydrogen 3.307 N/A LYS 56.A NZ GLU 60.A OE2 no hydrogen 2.588 N/A SER 57.A N VAL 53.A O no hydrogen 2.894 N/A SER 57.A OG LEU 54.A O no hydrogen 2.515 N/A GLU 58.A N LYS 55.A O no hydrogen 3.083 N/A SER 59.A N LYS 56.A O no hydrogen 3.249 N/A SER 59.A OG LYS 56.A O no hydrogen 3.335 N/A LEU 63.A N GLU 60.A O no hydrogen 3.189 N/A ASN 65.A N ASN 62.A O no hydrogen 2.991 N/A ASN 65.A ND2 ASN 62.A OD1 no hydrogen 3.027 N/A GLN 66.A N LEU 63.A O no hydrogen 2.882 N/A ARG 67.A NE THR 89.A OG1 no hydrogen 2.792 N/A ARG 67.A NH1 THR 89.A O no hydrogen 2.733 N/A ARG 67.A NH1 THR 89.A OG1 no hydrogen 3.173 N/A VAL 68.A N MET 90.A O no hydrogen 2.744 N/A ILE 70.A N GLY 88.A O no hydrogen 2.934 N/A LYS 71.A N ASP 74.A OD2 no hydrogen 2.782 N/A ASP 74.A N LYS 71.A O no hydrogen 2.844 N/A LEU 75.A N LYS 72.A O no hydrogen 2.980 N/A VAL 76.A N ASN 79.A OD1 no hydrogen 2.822 N/A ASN 79.A ND2 ASN 79.A O no hydrogen 2.894 N/A ASN 79.A ND2 GLU 83.A OE1 no hydrogen 3.204 N/A ILE 81.A N ASP 104.A OD2 no hydrogen 2.804 N/A ALA 82.A N ASP 104.A OD2 no hydrogen 2.722 N/A GLU 83.A N ASN 79.A O no hydrogen 3.188 N/A LYS 84.A N ILE 81.A O no hydrogen 2.965 N/A HIS 85.A N ALA 82.A O no hydrogen 2.919 N/A ASN 87.A N ILE 70.A O no hydrogen 2.733 N/A GLY 88.A N HIS 85.A O no hydrogen 2.837 N/A MET 90.A N VAL 68.A O no hydrogen 2.830 N/A SER 91.A N GLU 94.A OE2 no hydrogen 2.793 N/A LEU 92.A N GLN 66.A O no hydrogen 2.889 N/A ALA 93.A N LEU 64.A O no hydrogen 2.839 N/A GLU 94.A N SER 91.A OG no hydrogen 2.992 N/A LEU 95.A N SER 91.A O no hydrogen 2.822 N/A SER 96.A N LEU 92.A O no hydrogen 2.878 N/A SER 96.A OG LEU 92.A O no hydrogen 2.790 N/A ALA 97.A N ALA 93.A O no hydrogen 2.870 N/A ALA 98.A N GLU 94.A O no hydrogen 2.849 N/A ALA 99.A N LEU 95.A O no hydrogen 2.834 N/A LEU 100.A N SER 96.A O no hydrogen 2.886 N/A GLN 101.A N ALA 97.A O no hydrogen 2.818 N/A GLN 101.A NE2 TRP 183.A O no hydrogen 2.900 N/A TYR 102.A N ALA 98.A O no hydrogen 3.012 N/A SER 103.A OG SER 43.A OG no hydrogen 3.006 N/A ASP 104.A N ALA 98.A O no hydrogen 3.084 N/A ASN 105.A N TYR 78.A O no hydrogen 2.840 N/A ASN 105.A ND2 ASN 77.A OD1 no hydrogen 2.807 N/A ALA 107.A N ASP 104.A OD1 no hydrogen 2.834 N/A MET 108.A N ASP 104.A O no hydrogen 3.138 N/A ASN 109.A N ASN 105.A O no hydrogen 2.887 N/A ASN 109.A ND2 GLU 139.A O no hydrogen 2.944 N/A LYS 110.A N VAL 106.A O no hydrogen 2.847 N/A LYS 110.A NZ GLU 69.A O no hydrogen 3.267 N/A LYS 110.A NZ ASP 74.A OD2 no hydrogen 2.718 N/A LEU 111.A N ALA 107.A O no hydrogen 2.911 N/A ILE 112.A N MET 108.A O no hydrogen 2.803 N/A ALA 113.A N ASN 109.A O no hydrogen 2.843 N/A HIS 114.A N LYS 110.A O no hydrogen 2.778 N/A VAL 115.A N LEU 111.A O no hydrogen 3.218 N/A GLY 116.A N ILE 112.A O no hydrogen 3.255 N/A GLY 116.A N ALA 113.A O no hydrogen 3.050 N/A GLY 117.A N ILE 112.A O no hydrogen 2.886 N/A SER 120.A N GLY 117.A O no hydrogen 2.884 N/A VAL 121.A N GLY 117.A O no hydrogen 3.177 N/A THR 122.A N PRO 118.A O no hydrogen 3.034 N/A THR 122.A OG1 PRO 118.A O no hydrogen 3.195 N/A THR 122.A OG1 LEU 135.A O no hydrogen 2.982 N/A ALA 123.A N ALA 119.A O no hydrogen 2.839 N/A PHE 124.A N SER 120.A O no hydrogen 3.047 N/A ALA 125.A N VAL 121.A O no hydrogen 3.008 N/A ARG 126.A N THR 122.A O no hydrogen 2.913 N/A ARG 126.A NH1 ASP 130.A O no hydrogen 2.893 N/A ARG 126.A NH1 PHE 133.A O no hydrogen 2.631 N/A ARG 126.A NH2 PHE 133.A O no hydrogen 2.994 N/A GLN 127.A N ALA 123.A O no hydrogen 2.905 N/A LEU 128.A N PHE 124.A O no hydrogen 3.248 N/A LEU 128.A N ALA 125.A O no hydrogen 3.020 N/A GLY 129.A N ARG 126.A O no hydrogen 2.860 N/A ASP 130.A N ALA 125.A O no hydrogen 2.948 N/A THR 132.A N ASP 130.A OD1 no hydrogen 2.888 N/A PHE 133.A N ASP 130.A OD1 no hydrogen 2.856 N/A ARG 134.A N THR 153.A O no hydrogen 3.063 N/A ARG 134.A NE ASP 136.A OD2 no hydrogen 2.912 N/A ARG 134.A NH2 ASP 136.A OD1 no hydrogen 2.843 N/A ARG 134.A NH2 ASP 136.A OD2 no hydrogen 3.506 N/A LEU 135.A N THR 122.A OG1 no hydrogen 2.770 N/A ASP 136.A N ASP 152.A OD1 no hydrogen 2.709 N/A ARG 137.A N ASP 152.A OD1 no hydrogen 2.937 N/A ARG 137.A NE ASP 152.A OD2 no hydrogen 2.715 N/A ARG 137.A NH1 THR 144.A OG1 no hydrogen 2.852 N/A ARG 137.A NH2 THR 144.A OG1 no hydrogen 3.086 N/A ARG 137.A NH2 ASP 152.A OD2 no hydrogen 2.825 N/A GLU 139.A N ASN 109.A OD1 no hydrogen 2.727 N/A THR 141.A OG1 THR 138.A O no hydrogen 3.510 N/A LEU 142.A N THR 138.A O no hydrogen 2.915 N/A ASN 143.A N PRO 140.A O no hydrogen 3.172 N/A ASN 143.A ND2 GLU 139.A OE2 no hydrogen 2.812 N/A ASN 143.A ND2 PRO 140.A O no hydrogen 2.895 N/A THR 144.A N THR 141.A O no hydrogen 3.190 N/A THR 144.A OG1 THR 141.A O no hydrogen 3.359 N/A ASP 149.A N ILE 146.A O no hydrogen 2.943 N/A ARG 151.A N ASP 149.A OD1 no hydrogen 2.985 N/A ARG 151.A NE ASP 149.A OD1 no hydrogen 3.083 N/A ARG 151.A NE ASP 149.A OD2 no hydrogen 3.010 N/A ARG 151.A NH2 ASP 149.A OD2 no hydrogen 2.735 N/A ASP 152.A N ASP 136.A OD2 no hydrogen 2.883 N/A THR 153.A OG1 PRO 150.A O no hydrogen 2.578 N/A THR 154.A N PHE 39.A O no hydrogen 3.052 N/A SER 155.A OG ALA 35.A O no hydrogen 3.430 N/A ARG 157.A N ALA 35.A O no hydrogen 2.838 N/A ARG 157.A NE ASP 36.A OD1 no hydrogen 2.740 N/A ARG 157.A NH2 ASP 36.A OD2 no hydrogen 2.858 N/A ALA 158.A N SER 155.A OG no hydrogen 3.020 N/A MET 159.A N SER 155.A O no hydrogen 2.935 N/A ALA 160.A N PRO 156.A O no hydrogen 2.819 N/A GLN 161.A N ARG 157.A O no hydrogen 3.017 N/A THR 162.A N ALA 158.A O no hydrogen 2.915 N/A THR 162.A OG1 ASP 130.A OD2 no hydrogen 2.612 N/A THR 162.A OG1 ALA 158.A O no hydrogen 3.117 N/A LEU 163.A N MET 159.A O no hydrogen 2.799 N/A ARG 164.A N ALA 160.A O no hydrogen 2.850 N/A ARG 164.A NH1 ASN 28.A OD1 no hydrogen 2.508 N/A ARG 164.A NH2 ASN 28.A OD1 no hydrogen 3.506 N/A ASN 165.A N GLN 161.A O no hydrogen 2.882 N/A ASN 165.A ND2 GLN 161.A OE1 no hydrogen 2.724 N/A LEU 166.A N THR 162.A O no hydrogen 2.803 N/A THR 167.A N LEU 163.A O no hydrogen 2.930 N/A THR 167.A OG1 LEU 163.A O no hydrogen 2.642 N/A LEU 168.A N ARG 164.A O no hydrogen 2.809 N/A GLY 169.A N ARG 164.A O no hydrogen 2.808 N/A LYS 170.A NZ LEU 168.A O no hydrogen 3.147 N/A ALA 171.A N ASN 165.A O no hydrogen 3.164 N/A GLY 173.A N GLU 58.A OE2 no hydrogen 2.842 N/A ARG 177.A N GLY 173.A O no hydrogen 2.822 N/A ARG 177.A NH2 ASP 174.A OD1 no hydrogen 2.628 N/A ALA 178.A N ASP 174.A O no hydrogen 3.011 N/A GLN 179.A N SER 175.A O no hydrogen 2.835 N/A LEU 180.A N GLN 176.A O no hydrogen 2.896 N/A VAL 181.A N ARG 177.A O no hydrogen 2.922 N/A THR 182.A N ALA 178.A O no hydrogen 2.819 N/A THR 182.A OG1 ALA 178.A O no hydrogen 3.010 N/A TRP 183.A N GLN 179.A O no hydrogen 2.745 N/A MET 184.A N LEU 180.A O no hydrogen 2.829 N/A LYS 185.A N VAL 181.A O no hydrogen 2.807 N/A GLY 186.A N THR 182.A O no hydrogen 3.105 N/A ASN 187.A N MET 184.A O no hydrogen 3.027 N/A ASN 187.A ND2 THR 189.A OG1 no hydrogen 2.982 N/A ASN 187.A ND2 ASP 206.A OD1 no hydrogen 2.898 N/A THR 188.A N GLN 101.A O no hydrogen 2.957 N/A THR 188.A OG1 GLN 101.A O no hydrogen 2.684 N/A THR 189.A N ASN 187.A OD1 no hydrogen 3.146 N/A THR 189.A OG1 ASN 187.A OD1 no hydrogen 3.005 N/A THR 189.A OG1 THR 208.A OG1 no hydrogen 2.641 N/A SER 193.A N GLY 190.A O no hydrogen 3.102 N/A ILE 194.A N ASP 218.A OD2 no hydrogen 2.905 N/A ALA 196.A N SER 193.A O no hydrogen 2.939 N/A GLY 197.A N ILE 194.A O no hydrogen 2.856 N/A LEU 198.A N GLN 195.A O no hydrogen 3.055 N/A TRP 202.A N PRO 199.A O no hydrogen 3.116 N/A VAL 203.A N TRP 223.A O no hydrogen 3.318 N/A GLY 205.A N VAL 221.A O no hydrogen 2.847 N/A ASP 206.A N MET 184.A O no hydrogen 3.273 N/A LYS 207.A N ILE 219.A O no hydrogen 2.775 N/A LYS 207.A NZ SER 103.A OG no hydrogen 2.762 N/A LYS 207.A NZ THR 208.A O no hydrogen 2.754 N/A THR 208.A OG1 THR 189.A OG1 no hydrogen 2.641 N/A GLY 209.A N ASN 217.A O no hydrogen 2.970 N/A GLY 211.A N THR 215.A O no hydrogen 2.933 N/A GLY 212.A N ASN 143.A O no hydrogen 2.841 N/A TYR 213.A N PRO 241.A O no hydrogen 2.873 N/A THR 215.A N GLY 211.A O no hydrogen 3.286 N/A THR 215.A N GLY 212.A O no hydrogen 3.057 N/A THR 215.A OG1 GLY 212.A O no hydrogen 2.650 N/A THR 215.A OG1 THR 237.A OG1 no hydrogen 2.695 N/A THR 216.A N PHE 236.A O no hydrogen 2.800 N/A THR 216.A OG1 GLY 214.A O no hydrogen 2.786 N/A ASN 217.A N GLY 209.A O no hydrogen 2.846 N/A ASN 217.A ND2 ALA 40.A O no hydrogen 2.807 N/A ASN 217.A ND2 MET 41.A O no hydrogen 3.022 N/A ASP 218.A N THR 234.A O no hydrogen 2.936 N/A ILE 219.A N LYS 207.A O no hydrogen 2.898 N/A ALA 220.A N LEU 232.A O no hydrogen 2.785 N/A VAL 221.A N GLY 205.A O no hydrogen 2.824 N/A ILE 222.A N LEU 230.A O no hydrogen 2.781 N/A TRP 223.A N VAL 203.A O no hydrogen 2.690 N/A LYS 225.A NZ ASP 226.A OD1 no hydrogen 2.955 N/A ARG 227.A N PRO 224.A O no hydrogen 3.135 N/A LEU 230.A N ILE 222.A O no hydrogen 2.850 N/A ILE 231.A N ILE 23.A O no hydrogen 2.910 N/A LEU 232.A N ALA 220.A O no hydrogen 2.782 N/A VAL 233.A N ALA 21.A O no hydrogen 2.861 N/A THR 234.A N ASP 218.A O no hydrogen 2.925 N/A THR 234.A OG1 ASP 218.A O no hydrogen 3.274 N/A TYR 235.A N GLY 19.A O no hydrogen 2.805 N/A TYR 235.A OH THR 44.A OG1 no hydrogen 2.978 N/A PHE 236.A N ASN 217.A OD1 no hydrogen 3.330 N/A THR 237.A N ARG 17.A O no hydrogen 2.895 N/A THR 237.A OG1 TYR 213.A O no hydrogen 3.319 N/A THR 237.A OG1 THR 215.A OG1 no hydrogen 2.695 N/A GLN 238.A N TYR 213.A O no hydrogen 2.771 N/A GLN 238.A NE2 GLY 214.A O no hydrogen 2.913 N/A GLN 238.A NE2 GLU 244.A O no hydrogen 2.811 N/A ALA 243.A N GLN 240.A O no hydrogen 3.056 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.850 N/A ARG 246.A N THR 216.A OG1 no hydrogen 2.850 N/A ARG 246.A NE ASP 248.A OD1 no hydrogen 2.718 N/A ARG 246.A NE ASP 248.A OD2 no hydrogen 3.228 N/A ARG 246.A NH2 ASP 248.A OD2 no hydrogen 2.807 N/A VAL 249.A N ARG 246.A O no hydrogen 3.028 N/A ALA 251.A N ARG 247.A O no hydrogen 3.004 N/A SER 252.A N ASP 248.A O no hydrogen 2.800 N/A SER 252.A OG ASP 248.A O no hydrogen 2.961 N/A ALA 253.A N VAL 249.A O no hydrogen 2.819 N/A ALA 254.A N LEU 250.A O no hydrogen 2.820 N/A LYS 255.A N ALA 251.A O no hydrogen 2.892 N/A LYS 255.A NZ ASP 259.A OD2 no hydrogen 2.807 N/A ILE 256.A N SER 252.A O no hydrogen 2.890 N/A VAL 257.A N ALA 253.A O no hydrogen 2.942 N/A THR 258.A N ALA 254.A O no hydrogen 3.020 N/A THR 258.A N LYS 255.A O no hydrogen 3.159 N/A THR 258.A OG1 ALA 254.A O no hydrogen 2.712 N/A ASP 259.A N LYS 255.A O no hydrogen 3.129 N/A