Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w0j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N GLN 8.A OE1 no hydrogen 3.065 N/A GLN 8.A N SER 5.A OG no hydrogen 3.399 N/A GLN 9.A N SER 5.A O no hydrogen 3.151 N/A GLN 9.A NE2 LEU 4.A O no hydrogen 3.283 N/A GLN 9.A NE2 SER 5.A O no hydrogen 3.189 N/A HIS 10.A N GLU 6.A O no hydrogen 3.001 N/A ILE 11.A N GLU 7.A O no hydrogen 2.940 N/A ILE 12.A N GLN 8.A O no hydrogen 3.155 N/A ALA 13.A N GLN 9.A O no hydrogen 3.006 N/A ILE 14.A N HIS 10.A O no hydrogen 2.879 N/A LEU 15.A N ILE 11.A O no hydrogen 2.926 N/A LEU 16.A N ILE 12.A O no hydrogen 2.901 N/A ASP 17.A N ALA 13.A O no hydrogen 3.152 N/A ALA 18.A N ILE 14.A O no hydrogen 2.877 N/A HIS 19.A N LEU 15.A O no hydrogen 2.858 N/A HIS 20.A N LEU 16.A O no hydrogen 2.846 N/A HIS 20.A NE2 GLU 145.A OE1 no hydrogen 3.038 N/A HIS 20.A NE2 GLU 145.A OE2 no hydrogen 3.158 N/A LYS 21.A N ASP 17.A O no hydrogen 2.856 N/A LYS 21.A NZ ASP 17.A OD1 no hydrogen 3.230 N/A LYS 21.A NZ ASP 17.A OD2 no hydrogen 2.785 N/A THR 22.A N HIS 19.A O no hydrogen 3.003 N/A THR 22.A OG1 ALA 18.A O no hydrogen 2.780 N/A THR 22.A OG1 HIS 19.A O no hydrogen 3.365 N/A TYR 23.A OH TYR 27.A OH no hydrogen 2.540 N/A THR 26.A N ASP 24.A OD1 no hydrogen 2.972 N/A THR 26.A OG1 ASP 24.A OD1 no hydrogen 2.659 N/A THR 26.A OG1 ASP 24.A OD2 no hydrogen 3.172 N/A TYR 27.A N ASP 24.A O no hydrogen 3.032 N/A TYR 27.A OH TYR 23.A OH no hydrogen 2.540 N/A ALA 28.A N ASP 24.A OD2 no hydrogen 3.261 N/A PHE 30.A N TYR 27.A O no hydrogen 3.226 N/A ASP 32.A N ASP 29.A O no hydrogen 2.772 N/A PHE 33.A N PHE 30.A O no hydrogen 3.156 N/A ARG 34.A N ASP 50.A OD1 no hydrogen 2.694 N/A ARG 34.A NE ASP 50.A OD1 no hydrogen 3.012 N/A ARG 34.A NE ASP 50.A OD2 no hydrogen 3.322 N/A ARG 34.A NH1 LYS 231.A O no hydrogen 2.890 N/A ARG 34.A NH2 ASP 50.A OD2 no hydrogen 2.930 N/A ARG 34.A NH2 LYS 231.A O no hydrogen 2.728 N/A ARG 38.A NE ASP 117.A OD1 no hydrogen 2.990 N/A ARG 38.A NH1 ASP 110.A O no hydrogen 2.815 N/A ARG 38.A NH2 ASP 110.A O no hydrogen 2.717 N/A ARG 38.A NH2 LYS 112.A O no hydrogen 3.151 N/A SER 43.A OG VAL 37.A O no hydrogen 2.828 N/A MET 44.A N LYS 120.A O no hydrogen 2.883 N/A LEU 45.A N LEU 42.A O no hydrogen 3.262 N/A HIS 47.A ND1 ARG 34.A O no hydrogen 2.868 N/A HIS 47.A NE2 TYR 113.A OH no hydrogen 2.729 N/A LEU 48.A N MET 44.A O no hydrogen 2.892 N/A ALA 49.A N LEU 45.A O no hydrogen 2.760 N/A ASP 50.A N PRO 46.A O no hydrogen 3.122 N/A LEU 51.A N HIS 47.A O no hydrogen 2.924 N/A VAL 52.A N LEU 48.A O no hydrogen 2.849 N/A SER 53.A N ALA 49.A O no hydrogen 2.881 N/A SER 53.A OG THR 233.A OG1 no hydrogen 2.540 N/A TYR 54.A N ASP 50.A O no hydrogen 2.989 N/A TYR 54.A OH ASP 29.A OD2 no hydrogen 2.981 N/A SER 55.A N LEU 51.A O no hydrogen 2.941 N/A SER 55.A OG LEU 51.A O no hydrogen 2.949 N/A ILE 56.A N VAL 52.A O no hydrogen 2.768 N/A GLN 57.A N SER 53.A O no hydrogen 3.163 N/A LYS 58.A N TYR 54.A O no hydrogen 3.118 N/A VAL 59.A N SER 55.A O no hydrogen 2.902 N/A ILE 60.A N ILE 56.A O no hydrogen 2.925 N/A GLY 61.A N GLN 57.A O no hydrogen 3.044 N/A PHE 62.A N LYS 58.A O no hydrogen 2.908 N/A ALA 63.A N VAL 59.A O no hydrogen 2.869 N/A LYS 64.A N ILE 60.A O no hydrogen 3.159 N/A MET 65.A N PHE 62.A O no hydrogen 3.060 N/A ILE 66.A N ALA 63.A O no hydrogen 3.064 N/A PHE 69.A N ILE 66.A O no hydrogen 2.845 N/A ASP 71.A N GLY 68.A O no hydrogen 3.015 N/A LEU 72.A N PHE 69.A O no hydrogen 3.155 N/A SER 74.A OG ASP 75.A OD1 no hydrogen 3.446 N/A ASP 76.A N THR 73.A OG1 no hydrogen 3.174 N/A GLN 77.A N THR 73.A O no hydrogen 2.902 N/A ILE 78.A N SER 74.A O no hydrogen 2.932 N/A VAL 79.A N ASP 75.A O no hydrogen 3.075 N/A LEU 80.A N ASP 76.A O no hydrogen 2.851 N/A LEU 81.A N GLN 77.A O no hydrogen 3.058 N/A LYS 82.A N ILE 78.A O no hydrogen 3.012 N/A LYS 82.A NZ VAL 239.A O no hydrogen 2.619 N/A SER 83.A N VAL 79.A O no hydrogen 3.243 N/A SER 83.A OG VAL 79.A O no hydrogen 2.787 N/A SER 83.A OG LEU 80.A O no hydrogen 3.296 N/A SER 84.A N LEU 80.A O no hydrogen 3.110 N/A SER 84.A OG LEU 80.A O no hydrogen 2.700 N/A ALA 85.A N LEU 81.A O no hydrogen 2.960 N/A VAL 88.A N SER 84.A O no hydrogen 2.855 N/A ILE 89.A N ALA 85.A O no hydrogen 2.821 N/A MET 90.A N ILE 86.A O no hydrogen 2.901 N/A LEU 91.A N GLU 87.A O no hydrogen 2.935 N/A ARG 92.A N VAL 88.A O no hydrogen 2.735 N/A ARG 92.A NH2 THR 22.A O no hydrogen 2.886 N/A SER 93.A N ILE 89.A O no hydrogen 2.906 N/A SER 93.A OG MET 90.A O no hydrogen 2.780 N/A ASN 94.A N LEU 91.A O no hydrogen 2.990 N/A ASN 94.A ND2 GLN 135.A O no hydrogen 3.074 N/A ASN 94.A ND2 GLN 135.A OE1 no hydrogen 2.890 N/A GLN 95.A N ARG 92.A O no hydrogen 3.344 N/A GLN 95.A NE2 HIS 19.A NE2 no hydrogen 2.996 N/A SER 96.A N SER 93.A O no hydrogen 3.069 N/A SER 96.A OG SER 93.A O no hydrogen 3.263 N/A PHE 97.A N SER 93.A O no hydrogen 3.202 N/A PHE 97.A N ASN 94.A O no hydrogen 3.256 N/A THR 98.A N SER 103.A O no hydrogen 2.769 N/A THR 98.A OG1 ASP 100.A OD2 no hydrogen 3.368 N/A SER 103.A N THR 98.A O no hydrogen 3.291 N/A SER 103.A OG ASP 101.A OD2 no hydrogen 2.562 N/A TRP 104.A N TYR 113.A O no hydrogen 2.671 N/A TRP 104.A NE1 SER 93.A OG no hydrogen 2.989 N/A ASP 105.A N SER 96.A O no hydrogen 2.834 N/A CYS 106.A N TYR 111.A O no hydrogen 2.953 N/A CYS 106.A SG SER 96.A OG no hydrogen 3.673 N/A TYR 111.A N SER 108.A O no hydrogen 2.920 N/A LYS 112.A N GLN 109.A O no hydrogen 3.337 N/A LYS 112.A NZ ASP 101.A OD1 no hydrogen 2.683 N/A LYS 112.A NZ SER 103.A OG no hydrogen 2.959 N/A TYR 113.A N TRP 104.A O no hydrogen 2.733 N/A TYR 113.A OH HIS 47.A NE2 no hydrogen 2.729 N/A ASP 114.A N ASP 117.A OD2 no hydrogen 2.922 N/A THR 116.A N ASP 114.A OD2 no hydrogen 2.913 N/A THR 116.A OG1 ASP 114.A OD2 no hydrogen 3.268 N/A ASP 117.A N ASP 114.A OD2 no hydrogen 3.210 N/A VAL 118.A N ASP 114.A O no hydrogen 3.302 N/A SER 119.A N VAL 115.A O no hydrogen 2.983 N/A SER 119.A OG HIS 123.A O no hydrogen 3.185 N/A LYS 120.A N THR 116.A O no hydrogen 2.892 N/A ALA 121.A N VAL 118.A O no hydrogen 3.122 N/A GLY 122.A N SER 119.A O no hydrogen 2.792 N/A THR 124.A OG1 GLN 218.A OE1 no hydrogen 2.969 N/A GLU 126.A N THR 124.A OG1 no hydrogen 3.339 N/A LEU 127.A N THR 124.A O no hydrogen 2.986 N/A ILE 128.A N THR 124.A O no hydrogen 3.049 N/A GLU 129.A N LEU 125.A O no hydrogen 3.022 N/A LEU 131.A N LEU 127.A O no hydrogen 2.938 N/A ILE 132.A N ILE 128.A O no hydrogen 2.841 N/A LYS 133.A N GLU 129.A O no hydrogen 3.029 N/A PHE 134.A N PRO 130.A O no hydrogen 2.991 N/A GLN 135.A N LEU 131.A O no hydrogen 3.002 N/A GLN 135.A NE2 MET 90.A O no hydrogen 2.958 N/A VAL 136.A N ILE 132.A O no hydrogen 2.985 N/A GLY 137.A N LYS 133.A O no hydrogen 2.980 N/A LEU 138.A N PHE 134.A O no hydrogen 2.759 N/A LYS 139.A N GLN 135.A O no hydrogen 2.726 N/A LYS 139.A NZ ASN 94.A O no hydrogen 2.830 N/A LYS 139.A NZ PHE 97.A O no hydrogen 2.911 N/A LYS 140.A N VAL 136.A O no hydrogen 2.957 N/A LEU 141.A N LEU 138.A O no hydrogen 3.032 N/A ASN 142.A N LYS 139.A O no hydrogen 2.950 N/A HIS 144.A N GLU 147.A OE2 no hydrogen 2.894 N/A HIS 144.A ND1 TYR 184.A OH no hydrogen 2.658 N/A GLU 146.A N GLU 146.A OE2 no hydrogen 2.713 N/A GLU 147.A N HIS 144.A O no hydrogen 2.773 N/A HIS 148.A N HIS 144.A O no hydrogen 3.051 N/A VAL 149.A N GLU 145.A O no hydrogen 2.990 N/A LEU 150.A N GLU 146.A O no hydrogen 3.207 N/A LEU 151.A N GLU 147.A O no hydrogen 2.873 N/A MET 152.A N HIS 148.A O no hydrogen 3.066 N/A ALA 153.A N VAL 149.A O no hydrogen 3.068 N/A ILE 154.A N LEU 150.A O no hydrogen 2.791 N/A CYS 155.A N LEU 151.A O no hydrogen 2.933 N/A CYS 155.A SG GLU 87.A OE1 no hydrogen 3.222 N/A ILE 156.A N MET 152.A O no hydrogen 3.099 N/A VAL 157.A N ALA 153.A O no hydrogen 3.109 N/A SER 158.A OG ILE 154.A O no hydrogen 3.366 N/A SER 158.A OG CYS 155.A O no hydrogen 2.650 N/A ASP 160.A N ASP 160.A OD2 no hydrogen 2.649 N/A ARG 161.A NH1 GLU 87.A OE2 no hydrogen 2.738 N/A ARG 161.A NH2 GLU 87.A OE1 no hydrogen 2.796 N/A ARG 161.A NH2 CYS 155.A O no hydrogen 3.221 N/A VAL 164.A N ARG 161.A O no hydrogen 3.383 N/A GLN 165.A N ASP 76.A OD2 no hydrogen 2.782 N/A ASP 166.A N ASP 76.A OD1 no hydrogen 2.913 N/A ALA 167.A N GLN 165.A O no hydrogen 2.925 N/A LEU 169.A N ASP 166.A OD2 no hydrogen 3.066 N/A VAL 170.A N ASP 166.A O no hydrogen 3.006 N/A GLU 171.A N ALA 167.A O no hydrogen 2.705 N/A ALA 172.A N LYS 168.A O no hydrogen 3.080 N/A ILE 173.A N LEU 169.A O no hydrogen 3.143 N/A GLN 174.A N VAL 170.A O no hydrogen 3.033 N/A GLN 174.A NE2 ILE 154.A O no hydrogen 2.984 N/A ASP 175.A N GLU 171.A O no hydrogen 2.935 N/A ARG 176.A N ALA 172.A O no hydrogen 3.235 N/A LEU 177.A N ILE 173.A O no hydrogen 3.285 N/A SER 178.A N GLN 174.A O no hydrogen 2.705 N/A SER 178.A OG GLN 174.A O no hydrogen 3.359 N/A ASN 179.A N ASP 175.A O no hydrogen 2.766 N/A THR 180.A N ARG 176.A O no hydrogen 3.206 N/A THR 180.A OG1 ARG 176.A O no hydrogen 2.572 N/A LEU 181.A N LEU 177.A O no hydrogen 2.976 N/A GLN 182.A N SER 178.A O no hydrogen 2.829 N/A THR 183.A N ASN 179.A O no hydrogen 2.970 N/A THR 183.A OG1 ASN 179.A O no hydrogen 2.712 N/A TYR 184.A N THR 180.A O no hydrogen 2.829 N/A TYR 184.A OH HIS 144.A ND1 no hydrogen 2.658 N/A ILE 185.A N LEU 181.A O no hydrogen 3.003 N/A ARG 186.A N GLN 182.A O no hydrogen 3.190 N/A CYS 187.A N THR 183.A O no hydrogen 3.104 N/A CYS 187.A N TYR 184.A O no hydrogen 3.208 N/A CYS 187.A SG PRO 2.A O no hydrogen 3.151 N/A CYS 187.A SG THR 183.A O no hydrogen 3.234 N/A ARG 188.A N TYR 184.A O no hydrogen 2.786 N/A ARG 188.A NH1 CYS 187.A O no hydrogen 3.558 N/A HIS 189.A N ILE 185.A O no hydrogen 2.844 N/A HIS 189.A ND1 GLU 147.A OE1 no hydrogen 2.551 N/A HIS 195.A N PRO 192.A O no hydrogen 2.846 N/A LEU 197.A N SER 194.A O no hydrogen 3.061 N/A LYS 200.A N GLN 196.A O no hydrogen 3.039 N/A LYS 200.A NZ HIS 195.A O no hydrogen 3.427 N/A MET 201.A N LEU 197.A O no hydrogen 2.957 N/A ILE 202.A N TYR 198.A O no hydrogen 2.942 N/A GLN 203.A N ALA 199.A O no hydrogen 2.940 N/A LYS 204.A N LYS 200.A O no hydrogen 3.126 N/A LYS 204.A NZ LYS 200.A O no hydrogen 3.129 N/A LEU 205.A N MET 201.A O no hydrogen 3.295 N/A LEU 205.A N ILE 202.A O no hydrogen 2.929 N/A ALA 206.A N ILE 202.A O no hydrogen 3.114 N/A ASP 207.A N GLN 203.A O no hydrogen 2.857 N/A LEU 208.A N LYS 204.A O no hydrogen 2.988 N/A ARG 209.A N LEU 205.A O no hydrogen 3.112 N/A ARG 209.A NH1 ASP 160.A OD1 no hydrogen 2.703 N/A ARG 209.A NH2 ASP 160.A OD1 no hydrogen 3.143 N/A ARG 209.A NH2 ASP 160.A OD2 no hydrogen 2.762 N/A SER 210.A N ALA 206.A O no hydrogen 3.442 N/A LEU 211.A N ASP 207.A O no hydrogen 3.028 N/A ASN 212.A N LEU 208.A O no hydrogen 2.755 N/A ASN 212.A ND2 SER 83.A O no hydrogen 2.698 N/A ASN 212.A ND2 GLU 87.A OE2 no hydrogen 2.808 N/A GLU 213.A N ARG 209.A O no hydrogen 3.063 N/A GLU 214.A N SER 210.A O no hydrogen 3.107 N/A HIS 215.A N LEU 211.A O no hydrogen 2.844 N/A SER 216.A N ASN 212.A O no hydrogen 2.909 N/A SER 216.A OG ASN 212.A O no hydrogen 3.432 N/A LYS 217.A N GLU 213.A O no hydrogen 3.074 N/A GLN 218.A N GLU 214.A O no hydrogen 2.997 N/A TYR 219.A N HIS 215.A O no hydrogen 2.723 N/A TYR 219.A OH GLY 241.A O no hydrogen 2.824 N/A ARG 220.A N SER 216.A O no hydrogen 2.863 N/A SER 221.A N LYS 217.A O no hydrogen 3.171 N/A LEU 222.A N GLN 218.A O no hydrogen 2.836 N/A SER 223.A N TYR 219.A O no hydrogen 2.804 N/A SER 223.A OG TYR 219.A O no hydrogen 2.827 N/A ASN 228.A N GLN 225.A O no hydrogen 2.861 N/A ASN 228.A ND2 LEU 222.A O no hydrogen 3.094 N/A SER 229.A N GLN 225.A O no hydrogen 3.270 N/A MET 230.A N PRO 226.A O no hydrogen 2.904 N/A LYS 231.A N ASN 228.A O no hydrogen 2.843 N/A LEU 232.A N SER 229.A O no hydrogen 3.200 N/A THR 233.A OG1 SER 53.A OG no hydrogen 2.540 N/A VAL 236.A N THR 233.A OG1 no hydrogen 3.175 N/A LEU 237.A N THR 233.A O no hydrogen 3.072 N/A GLU 238.A N PRO 234.A O no hydrogen 2.948 N/A VAL 239.A N LEU 235.A O no hydrogen 2.808 N/A PHE 240.A N VAL 236.A O no hydrogen 2.821 N/A GLY 241.A N LEU 237.A O no hydrogen 2.997 N/A