Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2iwb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N LYS 45.A O no hydrogen 2.797 N/A VAL 7.A N THR 5.A OG1 no hydrogen 3.134 N/A LYS 10.A N TYR 36.A O no hydrogen 2.875 N/A LYS 10.A NZ TYR 36.A O no hydrogen 2.631 N/A LYS 11.A NZ TYR 9.A O no hydrogen 3.551 N/A LEU 12.A N ILE 38.A O no hydrogen 2.777 N/A GLN 14.A N GLN 14.A OE1 no hydrogen 2.762 N/A LEU 15.A N LEU 12.A O no hydrogen 3.043 N/A ALA 16.A N ASN 13.A O no hydrogen 3.080 N/A TYR 18.A N LEU 15.A O no hydrogen 2.944 N/A TYR 18.A OH GLU 242.A OE1 no hydrogen 2.924 N/A PHE 19.A N ALA 16.A O no hydrogen 2.714 N/A LYS 20.A N PRO 17.A O no hydrogen 3.284 N/A PHE 22.A N PHE 19.A O no hydrogen 2.761 N/A ASP 23.A N LYS 222.A O no hydrogen 2.792 N/A SER 25.A N HIS 220.A O no hydrogen 2.895 N/A SER 25.A OG TYR 39.A O no hydrogen 2.907 N/A SER 25.A OG ASN 40.A O no hydrogen 3.386 N/A PHE 26.A N TYR 39.A O no hydrogen 3.125 N/A VAL 27.A N ALA 218.A O no hydrogen 2.776 N/A LEU 28.A N SER 37.A O no hydrogen 2.786 N/A TYR 29.A N TYR 216.A O no hydrogen 2.748 N/A ASN 30.A N ALA 35.A O no hydrogen 2.799 N/A GLU 31.A N THR 214.A O no hydrogen 2.873 N/A ARG 32.A N ASN 213.A OD1 no hydrogen 2.766 N/A GLU 33.A N ASN 30.A OD1 no hydrogen 3.001 N/A GLN 34.A N GLU 31.A O no hydrogen 3.242 N/A ALA 35.A N ASN 30.A O no hydrogen 3.161 N/A TYR 36.A OH ASN 152.A OD1 no hydrogen 2.457 N/A SER 37.A N LEU 28.A O no hydrogen 2.789 N/A ILE 38.A N LYS 10.A O no hydrogen 2.823 N/A TYR 39.A N PHE 26.A O no hydrogen 2.813 N/A ASN 40.A ND2 GLY 24.A O no hydrogen 2.784 N/A GLU 43.A N ASN 40.A OD1 no hydrogen 3.156 N/A SER 44.A N ASN 40.A O no hydrogen 2.886 N/A SER 44.A OG GLU 41.A O no hydrogen 2.617 N/A LYS 45.A N PRO 42.A O no hydrogen 3.231 N/A LYS 45.A NZ THR 5.A O no hydrogen 3.503 N/A LYS 45.A NZ GLU 41.A OE2 no hydrogen 2.602 N/A GLN 46.A N GLU 43.A O no hydrogen 2.966 N/A ARG 47.A N ASP 1.A O no hydrogen 2.661 N/A ARG 47.A NE GLU 149.A OE1 no hydrogen 2.877 N/A ARG 47.A NE GLU 149.A OE2 no hydrogen 3.442 N/A ARG 47.A NH1 GLU 149.A OE2 no hydrogen 2.858 N/A TYR 48.A N ILE 145.A O no hydrogen 2.829 N/A TYR 48.A OH GLU 43.A OE1 no hydrogen 2.425 N/A TYR 48.A OH GLU 43.A OE2 no hydrogen 3.426 N/A ASN 51.A N SER 49.A OG no hydrogen 3.334 N/A ASN 51.A ND2 GLU 140.A OE2 no hydrogen 2.843 N/A SER 52.A OG SER 100.A OG no hydrogen 2.651 N/A THR 53.A N PRO 50.A O no hydrogen 2.986 N/A THR 53.A OG1 PRO 50.A O no hydrogen 2.703 N/A TYR 54.A N ASN 51.A O no hydrogen 2.941 N/A TYR 54.A OH TYR 137.A OH no hydrogen 2.687 N/A LYS 55.A N SER 52.A O no hydrogen 2.890 N/A LYS 55.A NZ SER 52.A OG no hydrogen 2.521 N/A LYS 55.A NZ ASN 102.A OD1 no hydrogen 2.802 N/A ILE 56.A N THR 53.A O no hydrogen 3.413 N/A TYR 57.A N TYR 54.A O no hydrogen 2.944 N/A LEU 58.A N TYR 54.A O no hydrogen 2.913 N/A ALA 59.A N LYS 55.A O no hydrogen 2.861 N/A LEU 60.A N ILE 56.A O no hydrogen 3.228 N/A MET 61.A N TYR 57.A O no hydrogen 2.798 N/A ALA 62.A N LEU 58.A O no hydrogen 2.835 N/A PHE 63.A N ALA 59.A O no hydrogen 2.854 N/A ASP 64.A N LEU 60.A O no hydrogen 2.799 N/A GLN 65.A N MET 61.A O no hydrogen 2.824 N/A GLN 65.A NE2 TYR 120.A OH no hydrogen 2.731 N/A ASN 66.A N PHE 63.A O no hydrogen 2.839 N/A ASN 66.A ND2 PHE 63.A O no hydrogen 3.439 N/A LEU 67.A N ALA 62.A O no hydrogen 2.783 N/A LEU 68.A N ALA 62.A O no hydrogen 3.165 N/A SER 69.A N HIS 72.A O no hydrogen 2.962 N/A HIS 72.A N SER 69.A O no hydrogen 2.867 N/A GLN 75.A N GLN 91.A O no hydrogen 2.792 N/A GLN 75.A NE2 TYR 104.A O no hydrogen 2.938 N/A TRP 77.A N ASP 90.A OD1 no hydrogen 2.778 N/A TRP 77.A NE1 HIS 80.A O no hydrogen 2.696 N/A HIS 80.A N ASP 78.A OD1 no hydrogen 2.858 N/A TYR 82.A N ASN 88.A OD1 no hydrogen 2.784 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.913 N/A TRP 87.A N PHE 84.A O no hydrogen 2.851 N/A TRP 87.A NE1 TYR 99.A O no hydrogen 2.915 N/A ASN 88.A N LYS 85.A O no hydrogen 2.839 N/A ASN 88.A ND2 TYR 82.A O no hydrogen 2.881 N/A GLN 89.A NE2 GLU 86.A O no hydrogen 3.082 N/A GLN 91.A N GLN 75.A O no hydrogen 2.817 N/A GLN 91.A NE2 GLU 86.A O no hydrogen 2.853 N/A GLN 91.A NE2 GLN 89.A O no hydrogen 2.933 N/A ASN 92.A N SER 95.A OG no hydrogen 2.889 N/A LEU 93.A N THR 73.A OG1 no hydrogen 3.131 N/A SER 95.A N ASN 92.A OD1 no hydrogen 2.875 N/A SER 95.A OG GLN 91.A OE1 no hydrogen 2.711 N/A SER 95.A OG ASN 92.A O no hydrogen 3.179 N/A SER 95.A OG ASN 92.A OD1 no hydrogen 3.335 N/A SER 96.A N ASN 92.A O no hydrogen 2.916 N/A SER 96.A OG ASN 92.A O no hydrogen 2.972 N/A SER 96.A OG LEU 93.A O no hydrogen 2.866 N/A SER 96.A OG TYR 105.A OH no hydrogen 2.756 N/A MET 97.A N LEU 93.A O no hydrogen 2.929 N/A LYS 98.A N ASN 94.A O no hydrogen 2.892 N/A LYS 98.A NZ TYR 99.A OH no hydrogen 3.289 N/A TYR 99.A N SER 95.A O no hydrogen 2.896 N/A SER 100.A N MET 97.A O no hydrogen 3.086 N/A SER 100.A OG SER 52.A OG no hydrogen 2.651 N/A VAL 101.A N SER 96.A O no hydrogen 2.768 N/A TRP 103.A NE1 TRP 87.A O no hydrogen 2.861 N/A TYR 104.A N VAL 101.A O no hydrogen 3.123 N/A TYR 104.A OH THR 73.A O no hydrogen 2.502 N/A TYR 105.A OH SER 96.A OG no hydrogen 2.756 N/A GLU 106.A N ASN 102.A O no hydrogen 2.705 N/A ASN 107.A N TRP 103.A O no hydrogen 2.850 N/A ASN 107.A ND2 GLN 75.A OE1 no hydrogen 2.771 N/A LEU 108.A N TYR 104.A O no hydrogen 3.201 N/A ASN 109.A N TYR 105.A O no hydrogen 2.859 N/A LYS 110.A N GLU 106.A O no hydrogen 2.891 N/A HIS 111.A N LEU 108.A O no hydrogen 2.967 N/A LEU 112.A N ASN 109.A O no hydrogen 2.908 N/A ARG 113.A N GLU 116.A OE1 no hydrogen 2.820 N/A VAL 117.A N ARG 113.A O no hydrogen 3.007 N/A LYS 118.A N GLN 114.A O no hydrogen 2.783 N/A SER 119.A N ASP 115.A O no hydrogen 2.892 N/A TYR 120.A N GLU 116.A O no hydrogen 2.949 N/A TYR 120.A OH ASP 64.A OD2 no hydrogen 2.505 N/A LEU 121.A N VAL 117.A O no hydrogen 2.772 N/A ASP 122.A N LYS 118.A O no hydrogen 2.923 N/A LEU 123.A N SER 119.A O no hydrogen 2.962 N/A ILE 124.A N TYR 120.A O no hydrogen 2.842 N/A GLU 125.A N ASP 122.A O no hydrogen 3.209 N/A TYR 126.A N LEU 121.A O no hydrogen 2.847 N/A GLY 127.A N GLU 125.A O no hydrogen 2.931 N/A ASN 128.A N LYS 144.A O no hydrogen 2.871 N/A ASN 128.A ND2 SER 142.A O no hydrogen 2.956 N/A GLU 129.A N TYR 126.A O no hydrogen 2.855 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 2.989 N/A SER 132.A OG GLU 130.A OE1 no hydrogen 3.519 N/A GLY 133.A N SER 142.A OG no hydrogen 2.927 N/A ASN 134.A N SER 141.A OG no hydrogen 2.924 N/A TYR 137.A OH TYR 54.A OH no hydrogen 2.687 N/A TYR 137.A OH ASN 109.A OD1 no hydrogen 3.104 N/A ASN 139.A N ASN 136.A O no hydrogen 3.050 N/A ASN 139.A ND2 ASN 51.A OD1 no hydrogen 2.701 N/A GLU 140.A N SER 49.A OG no hydrogen 2.825 N/A GLU 140.A N ASN 51.A OD1 no hydrogen 3.098 N/A SER 142.A N SER 141.A OG no hydrogen 2.673 N/A SER 142.A OG GLU 130.A O no hydrogen 2.816 N/A LEU 143.A N TYR 137.A O no hydrogen 3.153 N/A LYS 144.A N ASN 128.A OD1 no hydrogen 2.928 N/A LYS 144.A NZ ASP 1.A OD2 no hydrogen 2.911 N/A ILE 145.A N TYR 48.A O no hydrogen 2.762 N/A SER 146.A N GLU 149.A OE1 no hydrogen 2.906 N/A SER 146.A OG GLU 149.A OE1 no hydrogen 2.665 N/A ILE 148.A N SER 44.A O no hydrogen 3.034 N/A GLU 149.A N SER 146.A OG no hydrogen 3.235 N/A GLN 150.A N SER 146.A O no hydrogen 2.799 N/A GLN 150.A NE2 THR 53.A OG1 no hydrogen 2.814 N/A VAL 151.A N ALA 147.A O no hydrogen 3.042 N/A ASN 152.A N ILE 148.A O no hydrogen 2.850 N/A LEU 153.A N GLU 149.A O no hydrogen 2.842 N/A LEU 154.A N GLN 150.A O no hydrogen 2.984 N/A LYS 155.A N VAL 151.A O no hydrogen 2.897 N/A ASN 156.A N ASN 152.A O no hydrogen 2.818 N/A MET 157.A N LEU 153.A O no hydrogen 2.765 N/A LYS 158.A N LEU 154.A O no hydrogen 2.787 N/A LYS 158.A NZ GLU 173.A OE2 no hydrogen 2.761 N/A LYS 158.A NZ GLU 209.A OE1 no hydrogen 2.644 N/A GLN 159.A N LYS 155.A O no hydrogen 2.786 N/A GLN 159.A NE2 GLU 31.A OE2 no hydrogen 2.741 N/A HIS 160.A N MET 157.A O no hydrogen 2.823 N/A HIS 160.A ND1 MET 157.A O no hydrogen 3.354 N/A ASN 161.A N ASN 156.A O no hydrogen 2.713 N/A ASN 161.A ND2 ASN 156.A OD1 no hydrogen 3.008 N/A ASN 161.A ND2 GLN 159.A OE1 no hydrogen 2.978 N/A MET 162.A N ASN 156.A O no hydrogen 3.316 N/A ALA 168.A N ASP 165.A OD2.A no hydrogen 3.128 N/A ILE 169.A N ASP 165.A O no hydrogen 2.954 N/A GLU 170.A N ASN 166.A O no hydrogen 2.876 N/A LYS 171.A N LYS 167.A O no hydrogen 2.926 N/A VAL 172.A N ALA 168.A O no hydrogen 2.886 N/A GLU 173.A N ILE 169.A O no hydrogen 2.773 N/A ASN 174.A N GLU 170.A O no hydrogen 2.833 N/A SER 175.A N LYS 171.A O no hydrogen 2.943 N/A SER 175.A OG VAL 172.A O no hydrogen 2.666 N/A MET 176.A N VAL 172.A O no hydrogen 3.112 N/A MET 176.A N GLU 173.A O no hydrogen 2.982 N/A THR 177.A N ASN 174.A O no hydrogen 2.988 N/A THR 177.A OG1 GLU 173.A O no hydrogen 2.693 N/A THR 177.A OG1 ASN 174.A O no hydrogen 3.531 N/A LEU 178.A N TYR 186.A O no hydrogen 2.704 N/A LYS 179.A N TYR 186.A O no hydrogen 3.055 N/A LYS 179.A NZ GLN 180.A O no hydrogen 3.391 N/A GLN 180.A NE2 LYS 181.A O no hydrogen 3.020 N/A LYS 181.A N TYR 184.A O no hydrogen 2.769 N/A TYR 184.A OH ILE 246.A O no hydrogen 3.338 N/A LYS 185.A N GLU 209.A O no hydrogen 2.768 N/A LYS 185.A NZ GLN 180.A OE1 no hydrogen 2.783 N/A TYR 186.A N LYS 179.A O no hydrogen 2.723 N/A TYR 186.A OH GLU 237.A OE2 no hydrogen 2.578 N/A VAL 187.A N TYR 207.A O no hydrogen 2.825 N/A GLY 188.A N MET 176.A O no hydrogen 2.912 N/A LYS 189.A N VAL 205.A O no hydrogen 2.732 N/A LYS 189.A NZ SER 100.A OG no hydrogen 2.857 N/A LYS 189.A NZ THR 190.A O no hydrogen 2.754 N/A LYS 189.A NZ THR 190.A OG1 no hydrogen 3.339 N/A GLY 191.A N TRP 203.A O no hydrogen 2.916 N/A GLY 193.A N ASN 201.A O no hydrogen 2.742 N/A VAL 195.A N LYS 198.A O no hydrogen 2.810 N/A LYS 198.A N VAL 195.A O no hydrogen 2.910 N/A LYS 198.A NZ GLU 224.A OE2 no hydrogen 2.773 N/A GLU 199.A N ASP 225.A OD1 no hydrogen 2.819 N/A ALA 200.A N GLY 193.A O no hydrogen 2.907 N/A ASN 201.A ND2 SER 49.A O no hydrogen 2.844 N/A ASN 201.A ND2 GLU 140.A OE2 no hydrogen 2.736 N/A GLY 202.A N LEU 221.A O no hydrogen 2.841 N/A TRP 203.A N GLY 191.A O no hydrogen 2.819 N/A TRP 203.A NE1 SER 49.A O no hydrogen 2.773 N/A PHE 204.A N THR 219.A O no hydrogen 2.929 N/A VAL 205.A N LYS 189.A O no hydrogen 2.998 N/A GLY 206.A N PHE 217.A O no hydrogen 2.970 N/A TYR 207.A N VAL 187.A O no hydrogen 2.911 N/A TYR 207.A OH GLU 173.A OE2 no hydrogen 2.419 N/A VAL 208.A N TYR 215.A O no hydrogen 2.852 N/A GLU 209.A N LYS 185.A O no hydrogen 2.751 N/A THR 210.A N ASN 213.A O no hydrogen 2.806 N/A THR 210.A OG1 ASP 212.A OD1 no hydrogen 3.121 N/A THR 210.A OG1 ASN 213.A O no hydrogen 3.199 N/A LYS 211.A NZ ASP 182.A OD2 no hydrogen 2.790 N/A ASP 212.A N THR 210.A OG1 no hydrogen 3.316 N/A ASN 213.A ND2 ASN 30.A OD1 no hydrogen 2.791 N/A ASN 213.A ND2 TYR 215.A OH no hydrogen 3.176 N/A THR 214.A N ASN 213.A OD1 no hydrogen 2.767 N/A TYR 215.A N VAL 208.A O no hydrogen 2.812 N/A TYR 216.A N TYR 29.A O no hydrogen 2.862 N/A TYR 216.A OH GLU 31.A OE2 no hydrogen 2.599 N/A PHE 217.A N GLY 206.A O no hydrogen 2.767 N/A ALA 218.A N VAL 27.A O no hydrogen 2.867 N/A THR 219.A N PHE 204.A O no hydrogen 2.792 N/A THR 219.A OG1 SER 236.A OG no hydrogen 2.653 N/A HIS 220.A N SER 25.A O no hydrogen 2.937 N/A HIS 220.A NE2 ASN 201.A OD1 no hydrogen 2.643 N/A LEU 221.A N GLY 202.A O no hydrogen 2.807 N/A LYS 222.A N ASP 23.A O no hydrogen 2.833 N/A GLY 223.A N ALA 200.A O no hydrogen 3.481 N/A ASN 226.A N ASP 225.A OD1 no hydrogen 2.730 N/A ALA 227.A N GLU 199.A O no hydrogen 2.836 N/A ASN 228.A ND2 GLU 199.A OE1 no hydrogen 2.770 N/A GLY 229.A N THR 192.A OG1 no hydrogen 2.767 N/A LYS 231.A N ASN 228.A OD1 no hydrogen 2.697 N/A LYS 231.A NZ GLN 234.A OE1 no hydrogen 2.633 N/A ALA 232.A N ASN 228.A O no hydrogen 2.868 N/A GLN 233.A N GLY 229.A O no hydrogen 2.688 N/A GLN 233.A NE2 GLU 237.A OE2 no hydrogen 2.853 N/A GLN 234.A N GLU 230.A O no hydrogen 2.861 N/A ILE 235.A N LYS 231.A O no hydrogen 2.868 N/A SER 236.A N ALA 232.A O no hydrogen 2.870 N/A SER 236.A OG THR 219.A OG1 no hydrogen 2.653 N/A SER 236.A OG ALA 232.A O no hydrogen 2.688 N/A GLU 237.A N GLN 233.A O no hydrogen 2.795 N/A ARG 238.A N GLN 234.A O no hydrogen 2.964 N/A ILE 239.A N ILE 235.A O no hydrogen 2.954 N/A LEU 240.A N SER 236.A O no hydrogen 2.760 N/A LYS 241.A N GLU 237.A O no hydrogen 2.796 N/A GLU 242.A N ARG 238.A O no hydrogen 2.930 N/A MET 243.A N ILE 239.A O no hydrogen 2.861 N/A GLU 244.A N LYS 241.A O no hydrogen 2.860 N/A LEU 245.A N LEU 240.A O no hydrogen 2.810 N/A