Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3psw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ASP 225.A OD2 no hydrogen 2.925 N/A ARG 1.A NH1 ASP 225.A OD2 no hydrogen 3.143 N/A ARG 1.A NH2 ASN 200.A O no hydrogen 2.885 N/A LYS 2.A NZ PRO 32.A O no hydrogen 2.947 N/A LYS 2.A NZ ASP 36.A OD1 no hydrogen 3.487 N/A PHE 4.A N ASP 225.A O no hydrogen 3.081 N/A VAL 5.A N ASP 36.A O no hydrogen 2.806 N/A ALA 6.A N PHE 227.A O no hydrogen 2.828 N/A ALA 7.A N VAL 38.A O no hydrogen 2.743 N/A ASN 8.A N VAL 229.A O no hydrogen 2.833 N/A TRP 9.A N PHE 40.A O no hydrogen 3.278 N/A TRP 9.A NE1 SER 233.A O no hydrogen 2.994 N/A LYS 10.A N ASN 8.A OD1 no hydrogen 2.930 N/A LYS 10.A NZ ASN 231.A OD1 no hydrogen 2.911 N/A ASN 12.A ND2 TRP 9.A O no hydrogen 2.880 N/A THR 14.A N SER 17.A OG no hydrogen 2.961 N/A SER 17.A N THR 14.A OG1 no hydrogen 3.018 N/A SER 17.A OG THR 14.A O no hydrogen 3.272 N/A SER 17.A OG THR 14.A OG1 no hydrogen 3.399 N/A ILE 18.A N THR 14.A O no hydrogen 3.050 N/A LYS 19.A N LEU 15.A O no hydrogen 3.103 N/A SER 20.A N GLU 16.A O no hydrogen 3.105 N/A SER 20.A OG GLU 236.A OE2 no hydrogen 3.565 N/A LEU 21.A N SER 17.A O no hydrogen 2.950 N/A THR 22.A N ILE 18.A O no hydrogen 2.844 N/A THR 22.A OG1 ILE 18.A O no hydrogen 2.760 N/A THR 22.A OG1 LYS 19.A O no hydrogen 3.226 N/A ASN 23.A N LYS 19.A O no hydrogen 3.292 N/A SER 24.A N SER 20.A O no hydrogen 3.322 N/A SER 24.A OG SER 20.A O no hydrogen 3.440 N/A PHE 25.A N LEU 21.A O no hydrogen 2.838 N/A ASN 26.A N THR 22.A O no hydrogen 2.843 N/A ASN 26.A ND2 LEU 52.A O no hydrogen 2.875 N/A ASN 27.A N SER 24.A O no hydrogen 3.225 N/A LEU 28.A N PHE 25.A O no hydrogen 3.164 N/A SER 33.A N ASP 31.A OD1 no hydrogen 2.944 N/A SER 33.A OG ASP 31.A OD1 no hydrogen 2.782 N/A SER 33.A OG ASP 31.A OD2 no hydrogen 3.402 N/A LYS 34.A N ASP 31.A O no hydrogen 3.107 N/A LEU 35.A N ASP 31.A O no hydrogen 3.100 N/A ASP 36.A N TYR 3.A O no hydrogen 3.027 N/A VAL 38.A N VAL 5.A O no hydrogen 2.961 N/A VAL 39.A N SER 58.A O no hydrogen 2.852 N/A PHE 40.A N ALA 7.A O no hydrogen 2.754 N/A HIS 45.A N VAL 42.A O no hydrogen 2.829 N/A TYR 46.A N SER 43.A O no hydrogen 3.032 N/A TYR 46.A OH THR 59.A OG1 no hydrogen 2.831 N/A THR 49.A N HIS 45.A O no hydrogen 2.904 N/A THR 49.A OG1 HIS 45.A O no hydrogen 2.805 N/A ARG 50.A N TYR 46.A O no hydrogen 2.814 N/A ARG 50.A NE ARG 50.A O no hydrogen 2.853 N/A ARG 50.A NH1 PHE 57.A O no hydrogen 2.830 N/A ARG 50.A NH1 THR 59.A OG1 no hydrogen 2.992 N/A ARG 50.A NH2 LEU 53.A O no hydrogen 3.000 N/A ARG 50.A NH2 GLN 54.A O no hydrogen 3.088 N/A ARG 50.A NH2 PHE 57.A O no hydrogen 3.012 N/A LYS 51.A N ASP 47.A O no hydrogen 3.056 N/A LYS 51.A NZ ASP 47.A OD1 no hydrogen 2.686 N/A LYS 51.A NZ ASP 47.A OD2 no hydrogen 3.183 N/A LEU 52.A N HIS 48.A O no hydrogen 3.240 N/A LEU 52.A N THR 49.A O no hydrogen 3.310 N/A LEU 53.A N THR 49.A O no hydrogen 2.956 N/A GLN 54.A N ASN 26.A OD1 no hydrogen 2.878 N/A LYS 56.A NZ ASN 26.A O no hydrogen 3.034 N/A LYS 56.A NZ LEU 28.A O no hydrogen 2.640 N/A LYS 56.A NZ GLN 54.A OE1 no hydrogen 3.048 N/A PHE 57.A N GLN 54.A O no hydrogen 2.973 N/A SER 58.A N VAL 37.A O no hydrogen 2.783 N/A SER 58.A OG GLU 87.A OE1 no hydrogen 3.367 N/A THR 59.A OG1 TYR 46.A OH no hydrogen 2.831 N/A GLY 60.A N VAL 39.A O no hydrogen 3.009 N/A ILE 61.A N TYR 88.A O no hydrogen 2.959 N/A GLN 62.A NE2 LYS 10.A O no hydrogen 2.860 N/A GLN 62.A NE2 PHE 40.A O no hydrogen 2.946 N/A SER 65.A N VAL 76.A O no hydrogen 2.808 N/A SER 65.A OG PHE 67.A O no hydrogen 3.196 N/A LYS 66.A NZ ASP 106.A OD1 no hydrogen 2.743 N/A PHE 67.A N SER 65.A OG no hydrogen 2.846 N/A TYR 72.A N GLY 70.A O no hydrogen 2.795 N/A GLU 75.A N TYR 72.A O no hydrogen 3.097 N/A SER 77.A OG ASN 69.A OD1 no hydrogen 2.605 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.840 N/A ILE 80.A N SER 77.A OG no hydrogen 3.108 N/A ALA 81.A N SER 77.A O no hydrogen 3.145 N/A LYS 82.A N ALA 78.A O no hydrogen 2.930 N/A ASP 83.A N GLU 79.A O no hydrogen 3.058 N/A LEU 84.A N ILE 80.A O no hydrogen 3.070 N/A ASN 85.A N LYS 82.A O no hydrogen 2.943 N/A ILE 86.A N ALA 81.A O no hydrogen 2.862 N/A TYR 88.A N THR 59.A O no hydrogen 3.385 N/A VAL 89.A N LYS 120.A O no hydrogen 2.913 N/A ILE 90.A N ILE 61.A O no hydrogen 2.933 N/A ILE 91.A N VAL 122.A O no hydrogen 2.902 N/A PHE 94.A N GLU 163.A OE1 no hydrogen 2.905 N/A GLN 95.A N HIS 93.A ND1 no hydrogen 3.173 N/A ARG 96.A N HIS 93.A O no hydrogen 2.904 N/A ARG 96.A NE GLU 102.A OE2 no hydrogen 2.804 N/A ARG 97.A N HIS 93.A O no hydrogen 3.204 N/A ARG 97.A NE GLY 92.A O no hydrogen 2.840 N/A ARG 97.A NH1 ASP 104.A OD1 no hydrogen 2.937 N/A ARG 97.A NH2 CYS 124.A O no hydrogen 2.928 N/A LYS 98.A N PHE 94.A O no hydrogen 2.747 N/A TYR 99.A N GLN 95.A O no hydrogen 3.010 N/A PHE 100.A N ARG 96.A O no hydrogen 3.087 N/A GLU 102.A N ARG 96.A O no hydrogen 3.273 N/A THR 103.A N ASP 106.A OD2 no hydrogen 2.982 N/A ASP 106.A N THR 103.A OG1 no hydrogen 3.126 N/A VAL 107.A N THR 103.A O no hydrogen 3.055 N/A ARG 108.A N ASP 104.A O no hydrogen 2.975 N/A ARG 108.A NH1 ASP 150.A OD2 no hydrogen 2.892 N/A ARG 108.A NH2 ALA 147.A O no hydrogen 3.003 N/A ARG 108.A NH2 ASP 150.A OD1 no hydrogen 2.742 N/A ARG 108.A NH2 ASP 150.A OD2 no hydrogen 3.547 N/A GLU 109.A N GLU 105.A O no hydrogen 3.097 N/A LYS 110.A N ASP 106.A O no hydrogen 2.879 N/A LYS 110.A NZ ASN 63.A OD1 no hydrogen 2.687 N/A LYS 110.A NZ VAL 64.A O no hydrogen 3.079 N/A LYS 110.A NZ GLU 102.A OE1 no hydrogen 3.259 N/A LYS 110.A NZ GLU 102.A OE2 no hydrogen 3.017 N/A LEU 111.A N VAL 107.A O no hydrogen 3.024 N/A GLN 112.A N ARG 108.A O no hydrogen 2.938 N/A ALA 113.A N GLU 109.A O no hydrogen 3.069 N/A SER 114.A N LYS 110.A O no hydrogen 2.982 N/A SER 114.A OG LYS 110.A O no hydrogen 2.683 N/A LEU 115.A N LEU 111.A O no hydrogen 2.926 N/A LYS 116.A N GLN 112.A O no hydrogen 3.014 N/A ASN 117.A N ALA 113.A O no hydrogen 3.173 N/A ASN 117.A ND2 GLU 79.A OE2 no hydrogen 3.142 N/A ASN 117.A ND2 ALA 113.A O no hydrogen 2.878 N/A ASN 118.A N LEU 115.A O no hydrogen 3.007 N/A LEU 119.A N SER 114.A O no hydrogen 2.839 N/A LYS 120.A N GLU 87.A O no hydrogen 2.985 N/A LYS 120.A NZ GLU 87.A OE2 no hydrogen 3.226 N/A ALA 121.A N ASN 157.A O no hydrogen 2.997 N/A VAL 122.A N VAL 89.A O no hydrogen 2.737 N/A VAL 123.A N ILE 159.A O no hydrogen 2.795 N/A CYS 124.A N ILE 91.A O no hydrogen 2.870 N/A CYS 124.A SG ILE 91.A O no hydrogen 3.969 N/A PHE 125.A N VAL 161.A O no hydrogen 3.095 N/A GLY 126.A N GLN 144.A OE1 no hydrogen 2.757 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.767 N/A SER 128.A N GLN 131.A OE1 no hydrogen 2.798 N/A GLN 131.A N SER 128.A OG no hydrogen 3.265 N/A ARG 132.A N SER 128.A O no hydrogen 2.991 N/A ARG 132.A NE GLU 127.A OE2 no hydrogen 2.791 N/A ARG 132.A NH1 GLU 127.A OE2 no hydrogen 3.210 N/A ARG 132.A NH1 TYR 162.A OH no hydrogen 3.487 N/A GLU 133.A N LEU 129.A O no hydrogen 2.842 N/A GLN 134.A N GLU 130.A O no hydrogen 2.967 N/A ASN 135.A N ARG 132.A O no hydrogen 2.986 N/A LYS 136.A N GLN 131.A O no hydrogen 2.867 N/A THR 137.A OG1 GLU 127.A OE2 no hydrogen 2.862 N/A VAL 140.A N LYS 136.A O no hydrogen 2.919 N/A ILE 141.A N THR 137.A O no hydrogen 3.018 N/A THR 142.A N ILE 138.A O no hydrogen 2.876 N/A THR 142.A OG1 ILE 138.A O no hydrogen 2.561 N/A LYS 143.A N GLU 139.A O no hydrogen 3.317 N/A GLN 144.A N VAL 140.A O no hydrogen 3.027 N/A VAL 145.A N ILE 141.A O no hydrogen 2.849 N/A LYS 146.A N THR 142.A O no hydrogen 2.992 N/A PHE 148.A N VAL 145.A O no hydrogen 3.090 N/A VAL 149.A N VAL 145.A O no hydrogen 2.886 N/A LEU 151.A N PHE 148.A O no hydrogen 2.975 N/A ILE 152.A N VAL 149.A O no hydrogen 3.297 N/A ASP 156.A N ASN 154.A OD1 no hydrogen 2.861 N/A ASN 157.A N ASN 154.A O no hydrogen 3.273 N/A ILE 159.A N ALA 121.A O no hydrogen 2.793 N/A LEU 160.A N ARG 203.A O no hydrogen 3.040 N/A VAL 161.A N VAL 123.A O no hydrogen 2.807 N/A TYR 162.A N LEU 205.A O no hydrogen 2.892 N/A TYR 162.A OH GLU 127.A OE1 no hydrogen 2.828 N/A TYR 162.A OH GLU 127.A OE2 no hydrogen 3.355 N/A GLU 163.A N PHE 125.A O no hydrogen 2.737 N/A LEU 165.A N GLU 163.A O no hydrogen 2.850 N/A TRP 166.A N GLU 127.A O no hydrogen 3.189 N/A TRP 166.A NE1 TYR 162.A OH no hydrogen 2.736 N/A ALA 167.A N PRO 164.A O no hydrogen 2.795 N/A ILE 168.A N LEU 165.A O no hydrogen 3.118 N/A THR 170.A OG1 LEU 165.A O no hydrogen 3.421 N/A THR 170.A OG1 TRP 166.A O no hydrogen 3.338 N/A THR 170.A OG1 ILE 168.A O no hydrogen 3.267 N/A GLN 178.A N THR 175.A OG1 no hydrogen 2.895 N/A ALA 179.A N THR 175.A O no hydrogen 2.930 N/A GLN 180.A N PRO 176.A O no hydrogen 2.875 N/A GLN 180.A NE2 ASP 223.A OD2 no hydrogen 2.854 N/A LEU 181.A N GLU 177.A O no hydrogen 2.986 N/A VAL 182.A N GLN 178.A O no hydrogen 3.478 N/A HIS 183.A N ALA 179.A O no hydrogen 2.994 N/A HIS 183.A ND1 ASP 223.A O no hydrogen 2.964 N/A LYS 184.A N GLN 180.A O no hydrogen 2.883 N/A GLU 185.A N LEU 181.A O no hydrogen 3.224 N/A ILE 186.A N VAL 182.A O no hydrogen 2.875 N/A ARG 187.A N HIS 183.A O no hydrogen 2.994 N/A ARG 187.A NE ASP 223.A OD1 no hydrogen 2.747 N/A ARG 187.A NH1 ALA 199.A O no hydrogen 2.845 N/A ARG 187.A NH1 ILE 202.A O no hydrogen 2.716 N/A ARG 187.A NH2 ASP 223.A O no hydrogen 3.114 N/A ARG 187.A NH2 ASP 225.A OD1 no hydrogen 2.706 N/A LYS 188.A N LYS 184.A O no hydrogen 3.101 N/A ILE 189.A N GLU 185.A O no hydrogen 2.919 N/A VAL 190.A N ILE 186.A O no hydrogen 2.981 N/A LYS 191.A N ARG 187.A O no hydrogen 2.876 N/A ASP 192.A N LYS 188.A O no hydrogen 2.958 N/A THR 193.A N ILE 189.A O no hydrogen 3.059 N/A THR 193.A OG1 ILE 189.A O no hydrogen 2.756 N/A CYS 194.A N VAL 190.A O no hydrogen 2.748 N/A CYS 194.A SG VAL 149.A O no hydrogen 3.673 N/A CYS 194.A SG THR 193.A OG1 no hydrogen 3.639 N/A GLY 195.A N LYS 191.A O no hydrogen 2.902 N/A ALA 199.A N GLY 195.A O no hydrogen 3.079 N/A ASN 200.A N GLU 196.A O no hydrogen 2.995 N/A GLN 201.A N GLN 198.A O no hydrogen 3.121 N/A GLN 201.A NE2 ASP 156.A OD1 no hydrogen 3.519 N/A GLN 201.A NE2 ASP 156.A OD2 no hydrogen 3.061 N/A ILE 202.A N GLN 198.A O no hydrogen 2.885 N/A ARG 203.A NH1 LYS 2.A O no hydrogen 2.924 N/A ARG 203.A NH1 ASP 36.A OD2 no hydrogen 3.023 N/A ARG 203.A NH2 ASP 156.A O no hydrogen 2.966 N/A ILE 204.A N ASP 225.A OD1 no hydrogen 2.925 N/A LEU 205.A N LEU 160.A O no hydrogen 2.715 N/A TYR 206.A N GLY 226.A O no hydrogen 2.979 N/A GLY 207.A N TYR 162.A O no hydrogen 2.772 N/A ASN 211.A N ASN 214.A OD1 no hydrogen 2.921 N/A GLU 213.A N ASN 211.A OD1 no hydrogen 2.867 N/A ASN 214.A N ASN 211.A OD1 no hydrogen 2.964 N/A ASN 214.A ND2 SER 209.A O no hydrogen 2.941 N/A CYS 215.A N ASN 211.A O no hydrogen 3.163 N/A CYS 215.A SG THR 212.A O no hydrogen 3.675 N/A CYS 215.A SG SER 244.A OG no hydrogen 3.508 N/A SER 217.A OG ASN 214.A O no hydrogen 2.627 N/A LEU 218.A N ASN 214.A O no hydrogen 3.131 N/A ILE 219.A N CYS 215.A O no hydrogen 2.933 N/A GLN 220.A N SER 216.A O no hydrogen 3.149 N/A GLN 221.A N LEU 218.A O no hydrogen 3.123 N/A GLN 221.A NE2 SER 217.A O no hydrogen 3.306 N/A ASP 223.A N GLN 180.A OE1 no hydrogen 2.880 N/A ILE 224.A N GLN 221.A O no hydrogen 3.221 N/A ASP 225.A N ILE 204.A O no hydrogen 2.889 N/A PHE 227.A N PHE 4.A O no hydrogen 3.141 N/A LEU 228.A N TYR 206.A O no hydrogen 3.150 N/A VAL 229.A N ALA 6.A O no hydrogen 2.825 N/A SER 233.A N GLY 230.A O no hydrogen 2.928 N/A SER 233.A OG ASN 8.A O no hydrogen 3.543 N/A SER 233.A OG VAL 229.A O no hydrogen 3.205 N/A SER 233.A OG GLY 230.A O no hydrogen 2.718 N/A LEU 234.A N ASN 231.A O no hydrogen 3.106 N/A LYS 235.A N ALA 232.A O no hydrogen 3.359 N/A PHE 238.A N LYS 235.A O no hydrogen 3.093 N/A VAL 239.A N GLU 236.A O no hydrogen 3.358 N/A ASP 240.A N SER 237.A O no hydrogen 2.866 N/A ILE 241.A N PHE 238.A O no hydrogen 3.040 N/A ILE 242.A N PHE 238.A O no hydrogen 3.057 N/A LYS 243.A N VAL 239.A O no hydrogen 2.908 N/A SER 244.A N ASP 240.A O no hydrogen 3.204 N/A SER 244.A OG ILE 241.A O no hydrogen 2.644 N/A ALA 245.A N ILE 242.A O no hydrogen 2.904 N/A MET 246.A N LYS 243.A O no hydrogen 3.035 N/A