Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7nec_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 HIS 7.A ND1.A no hydrogen 3.268 N/A ILE 5.A N SER 1.A O no hydrogen 3.430 N/A GLU 6.A N LEU 2.A O no hydrogen 3.058 N/A HIS 7.A N.A THR 3.A O no hydrogen 2.623 N/A HIS 7.A N.B THR 3.A O no hydrogen 2.604 N/A HIS 7.A ND1.A THR 3.A O no hydrogen 3.143 N/A LEU 8.A N GLU 4.A O no hydrogen 2.851 N/A VAL 9.A N ILE 5.A O no hydrogen 2.941 N/A GLN 10.A N GLU 6.A O no hydrogen 3.074 N/A SER 11.A N HIS 7.A O.A no hydrogen 2.849 N/A SER 11.A N HIS 7.A O.B no hydrogen 2.795 N/A SER 11.A OG SER 74.A OG no hydrogen 3.266 N/A VAL 12.A N LEU 8.A O no hydrogen 2.861 N/A CYS 13.A N VAL 9.A O no hydrogen 3.019 N/A CYS 13.A SG VAL 9.A O no hydrogen 3.173 N/A CYS 13.A SG ASP 150.A OD1 no hydrogen 3.212 N/A LYS 14.A N GLN 10.A O no hydrogen 3.012 N/A LYS 14.A NZ GLU 18.A OE2 no hydrogen 2.494 N/A SER 15.A N.A SER 11.A O no hydrogen 3.091 N/A SER 15.A N.B SER 11.A O no hydrogen 3.095 N/A SER 15.A OG.A PHE 69.A O no hydrogen 2.908 N/A SER 15.A OG.B SER 11.A O no hydrogen 2.650 N/A SER 15.A OG.B ARG 72.A O no hydrogen 3.095 N/A TYR 16.A N VAL 12.A O no hydrogen 2.942 N/A TYR 16.A OH GLU 149.A OE1 no hydrogen 3.060 N/A TYR 16.A OH GLU 149.A OE2 no hydrogen 3.349 N/A ARG 17.A N CYS 13.A O no hydrogen 2.789 N/A GLU 18.A N LYS 14.A O no hydrogen 2.956 N/A THR 19.A N TYR 16.A O no hydrogen 3.037 N/A THR 19.A OG1 SER 15.A O.A no hydrogen 2.862 N/A THR 19.A OG1 SER 15.A O.B no hydrogen 2.862 N/A THR 19.A OG1 TYR 16.A O no hydrogen 3.414 N/A CYS 20.A SG ARG 17.A O no hydrogen 3.715 N/A CYS 20.A SG LEU 22.A O no hydrogen 3.506 N/A LEU 22.A N CYS 20.A O no hydrogen 2.800 N/A LEU 27.A N ARG 23.A O no hydrogen 3.063 N/A LEU 28.A N LEU 24.A O no hydrogen 2.866 N/A ARG 29.A N GLU 25.A O no hydrogen 2.853 N/A ARG 29.A NH2 ASP 26.A OD1 no hydrogen 2.721 N/A GLN 30.A N ASP 26.A O no hydrogen 2.973 N/A ARG 31.A N LEU 28.A O no hydrogen 3.165 N/A ASN 33.A N GLN 30.A O no hydrogen 2.725 N/A ASN 33.A ND2 GLN 30.A OE1 no hydrogen 2.921 N/A PHE 35.A N TYR 117.A O no hydrogen 2.918 N/A SER 36.A N GLU 39.A OE1 no hydrogen 2.732 N/A SER 36.A OG GLU 39.A OE1 no hydrogen 3.222 N/A GLU 39.A N SER 36.A OG no hydrogen 2.919 N/A VAL 40.A N SER 36.A O no hydrogen 2.872 N/A THR 41.A N ARG 37.A O no hydrogen 2.970 N/A THR 41.A OG1 ARG 37.A O no hydrogen 3.168 N/A THR 41.A OG1 GLU 38.A O no hydrogen 2.572 N/A GLY 42.A N GLU 38.A O no hydrogen 3.079 N/A TYR 43.A N GLU 39.A O no hydrogen 3.127 N/A TYR 43.A OH GLU 114.A OE1 no hydrogen 2.583 N/A GLN 44.A N VAL 40.A O no hydrogen 2.908 N/A GLN 44.A NE2 GLU 121.A O no hydrogen 2.948 N/A ARG 45.A N THR 41.A O no hydrogen 2.952 N/A LYS 46.A N TYR 43.A O no hydrogen 3.245 N/A TRP 49.A N SER 47.A OG no hydrogen 3.135 N/A MET 51.A N SER 47.A O no hydrogen 3.026 N/A TRP 52.A N MET 48.A O no hydrogen 2.853 N/A TRP 52.A NE1 HIS 225.A O no hydrogen 2.780 N/A GLU 53.A N TRP 49.A O no hydrogen 2.919 N/A ARG 54.A N GLU 50.A O no hydrogen 2.933 N/A ARG 54.A NE GLU 50.A OE2 no hydrogen 2.706 N/A ARG 54.A NH1 GLU 114.A OE1 no hydrogen 2.792 N/A ARG 54.A NH2 GLU 50.A OE2 no hydrogen 2.958 N/A CYS 55.A N MET 51.A O no hydrogen 2.771 N/A CYS 55.A SG MET 51.A O no hydrogen 3.455 N/A ALA 56.A N TRP 52.A O no hydrogen 2.689 N/A HIS 57.A N GLU 53.A O no hydrogen 3.134 N/A HIS 57.A N ARG 54.A O no hydrogen 3.187 N/A HIS 57.A ND1 GLU 53.A O no hydrogen 3.019 N/A HIS 57.A NE2 VAL 228.A O no hydrogen 3.114 N/A HIS 58.A N ARG 54.A O no hydrogen 3.065 N/A HIS 58.A NE2 GLU 114.A OE2 no hydrogen 2.718 N/A LEU 59.A N CYS 55.A O no hydrogen 2.890 N/A THR 60.A N ALA 56.A O no hydrogen 2.935 N/A THR 60.A OG1 ALA 56.A O no hydrogen 2.894 N/A GLU 61.A N HIS 57.A O no hydrogen 3.040 N/A ALA 62.A N HIS 58.A O no hydrogen 2.872 N/A ILE 63.A N LEU 59.A O no hydrogen 2.858 N/A GLN 64.A N THR 60.A O no hydrogen 2.922 N/A GLN 64.A NE2 GLN 230.A O no hydrogen 2.662 N/A TYR 65.A N GLU 61.A O no hydrogen 3.035 N/A VAL 66.A N ALA 62.A O no hydrogen 3.068 N/A VAL 67.A N ILE 63.A O no hydrogen 2.862 N/A GLU 68.A N GLN 64.A O no hydrogen 3.043 N/A PHE 69.A N TYR 65.A O no hydrogen 2.871 N/A ALA 70.A N VAL 66.A O no hydrogen 2.984 N/A LYS 71.A N VAL 67.A O no hydrogen 2.878 N/A ARG 72.A N GLU 68.A O no hydrogen 3.167 N/A ARG 72.A N PHE 69.A O no hydrogen 3.191 N/A ARG 72.A NH1 GLU 68.A OE1 no hydrogen 3.213 N/A ARG 72.A NH2 GLU 18.A OE1 no hydrogen 2.730 N/A LEU 73.A N ALA 70.A O no hydrogen 2.917 N/A SER 74.A OG SER 11.A OG no hydrogen 3.266 N/A PHE 76.A N LEU 73.A O no hydrogen 2.864 N/A GLU 78.A N GLY 75.A O no hydrogen 3.231 N/A LEU 79.A N PHE 76.A O no hydrogen 3.151 N/A CYS 80.A SG GLN 169.A OE1 no hydrogen 3.750 N/A ASN 82.A ND2 ASP 83.A OD1 no hydrogen 3.138 N/A ASN 82.A ND2 GLY 167.A O no hydrogen 3.393 N/A ASP 83.A N CYS 80.A O no hydrogen 2.956 N/A GLN 84.A N CYS 80.A O no hydrogen 3.039 N/A GLN 84.A NE2 LEU 79.A O no hydrogen 2.998 N/A ILE 85.A N GLN 81.A O no hydrogen 3.068 N/A VAL 86.A N ASN 82.A O no hydrogen 2.976 N/A LEU 87.A N ASP 83.A O no hydrogen 2.920 N/A LEU 88.A N GLN 84.A O no hydrogen 2.946 N/A LYS 89.A N ILE 85.A O no hydrogen 2.854 N/A LYS 89.A NZ GLU 239.A OE1 no hydrogen 3.481 N/A ALA 90.A N VAL 86.A O no hydrogen 3.136 N/A GLY 91.A N LEU 87.A O no hydrogen 2.861 N/A ALA 92.A N LEU 88.A O no hydrogen 2.864 N/A VAL 95.A N GLY 91.A O no hydrogen 2.979 N/A VAL 96.A N ALA 92.A O no hydrogen 3.063 N/A LEU 97.A N MET 93.A O no hydrogen 3.029 N/A VAL 98.A N GLU 94.A O no hydrogen 3.019 N/A ARG 99.A N VAL 95.A O no hydrogen 2.778 N/A ARG 99.A NH1 THR 19.A O no hydrogen 2.865 N/A ARG 99.A NH2 THR 19.A OG1 no hydrogen 3.158 N/A MET 100.A N VAL 96.A O no hydrogen 3.119 N/A MET 100.A N LEU 97.A O no hydrogen 3.253 N/A CYS 101.A N VAL 98.A O no hydrogen 3.133 N/A CYS 101.A SG VAL 98.A O no hydrogen 3.324 N/A ARG 102.A N ARG 99.A O no hydrogen 3.222 N/A ARG 102.A NE GLU 149.A OE1 no hydrogen 3.384 N/A ARG 102.A NE GLU 149.A OE2 no hydrogen 2.838 N/A ARG 102.A NH1 LEU 22.A O no hydrogen 3.151 N/A ARG 102.A NH2 LEU 22.A O no hydrogen 2.878 N/A ARG 102.A NH2 GLU 149.A OE1 no hydrogen 2.845 N/A ALA 103.A N MET 100.A O no hydrogen 2.867 N/A TYR 104.A N CYS 101.A O no hydrogen 3.125 N/A TYR 104.A OH HIS 140.A ND1 no hydrogen 2.716 N/A ASN 105.A N THR 110.A O no hydrogen 2.707 N/A ASP 107.A N ASN 105.A OD1 no hydrogen 2.972 N/A THR 110.A N ASN 105.A O no hydrogen 3.174 N/A THR 110.A OG1 ASN 108.A OD1 no hydrogen 2.746 N/A VAL 111.A N GLY 118.A O no hydrogen 2.859 N/A PHE 112.A N ALA 103.A O no hydrogen 2.862 N/A PHE 113.A N LYS 116.A O no hydrogen 2.779 N/A LYS 116.A N PHE 113.A O no hydrogen 3.437 N/A LYS 116.A NZ GLU 39.A OE1 no hydrogen 3.464 N/A LYS 116.A NZ GLU 39.A OE2 no hydrogen 3.080 N/A TYR 117.A N ASN 33.A O no hydrogen 2.921 N/A TYR 117.A OH LEU 27.A O no hydrogen 2.638 N/A GLY 118.A N VAL 111.A O no hydrogen 2.959 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 3.079 N/A LEU 122.A N GLY 119.A O no hydrogen 3.073 N/A PHE 123.A N MET 120.A O no hydrogen 3.021 N/A ARG 124.A N GLU 121.A O no hydrogen 3.331 N/A LEU 126.A N PHE 123.A O no hydrogen 3.003 N/A GLY 127.A N ARG 124.A O no hydrogen 3.044 N/A CYS 128.A SG LEU 126.A O no hydrogen 3.462 N/A ILE 132.A N CYS 128.A O no hydrogen 2.965 N/A SER 133.A N SER 129.A O no hydrogen 2.898 N/A SER 134.A N GLU 130.A O no hydrogen 3.031 N/A SER 134.A OG GLU 130.A O no hydrogen 2.949 N/A ILE 135.A N LEU 131.A O no hydrogen 2.937 N/A PHE 136.A N ILE 132.A O no hydrogen 2.966 N/A ASP 137.A N SER 133.A O no hydrogen 2.842 N/A PHE 138.A N SER 134.A O no hydrogen 2.905 N/A SER 139.A N ILE 135.A O no hydrogen 2.901 N/A SER 139.A OG ILE 135.A O no hydrogen 3.382 N/A HIS 140.A N PHE 136.A O no hydrogen 2.709 N/A HIS 140.A ND1 TYR 104.A OH no hydrogen 2.716 N/A SER 141.A N.A ASP 137.A O no hydrogen 2.913 N/A SER 141.A N.B ASP 137.A O no hydrogen 2.929 N/A SER 141.A OG.A ASP 137.A O no hydrogen 3.413 N/A SER 141.A OG.B PHE 138.A O no hydrogen 2.905 N/A LEU 142.A N PHE 138.A O no hydrogen 3.096 N/A SER 143.A N SER 139.A O no hydrogen 2.980 N/A SER 143.A OG SER 139.A O no hydrogen 3.458 N/A SER 143.A OG HIS 140.A O no hydrogen 2.751 N/A ALA 144.A N SER 141.A O.A no hydrogen 3.200 N/A LEU 145.A N LEU 142.A O no hydrogen 2.880 N/A HIS 146.A N SER 143.A O no hydrogen 2.977 N/A SER 148.A N GLU 151.A OE1 no hydrogen 2.977 N/A GLU 151.A N SER 148.A OG no hydrogen 3.210 N/A ILE 152.A N SER 148.A O no hydrogen 3.013 N/A ALA 153.A N GLU 149.A O no hydrogen 3.024 N/A LEU 154.A N ASP 150.A O no hydrogen 2.849 N/A TYR 155.A N GLU 151.A O no hydrogen 2.722 N/A THR 156.A N ILE 152.A O no hydrogen 2.746 N/A THR 156.A OG1 ILE 152.A O no hydrogen 2.689 N/A THR 156.A OG1 ALA 153.A O no hydrogen 3.332 N/A ALA 157.A N ALA 153.A O no hydrogen 2.993 N/A LEU 158.A N LEU 154.A O no hydrogen 3.254 N/A VAL 159.A N TYR 155.A O no hydrogen 2.922 N/A LEU 160.A N THR 156.A O no hydrogen 3.166 N/A ILE 161.A N ALA 157.A O no hydrogen 2.867 N/A ALA 163.A N GLN 178.A OE1 no hydrogen 2.874 N/A HIS 164.A N ASN 162.A OD1 no hydrogen 2.893 N/A ARG 165.A N ASN 162.A O no hydrogen 3.365 N/A ARG 165.A NH2 GLU 94.A OE1 no hydrogen 2.959 N/A ARG 165.A NH2 VAL 159.A O no hydrogen 3.177 N/A GLN 169.A N ASP 83.A OD1 no hydrogen 2.691 N/A GLU 170.A N ASP 83.A OD2 no hydrogen 2.904 N/A LYS 173.A N GLU 170.A O no hydrogen 2.937 N/A VAL 174.A N GLU 170.A O no hydrogen 3.221 N/A GLU 175.A N LYS 171.A O no hydrogen 2.848 N/A GLN 176.A N ARG 172.A O no hydrogen 3.098 N/A LEU 177.A N.A LYS 173.A O no hydrogen 3.458 N/A LEU 177.A N.B LYS 173.A O no hydrogen 3.469 N/A GLN 178.A N VAL 174.A O no hydrogen 2.875 N/A GLN 178.A NE2 GLU 182.A OE2 no hydrogen 2.898 N/A TYR 179.A N GLU 175.A O no hydrogen 2.816 N/A ASN 180.A N GLN 176.A O no hydrogen 3.183 N/A LEU 181.A N LEU 177.A O.A no hydrogen 3.012 N/A LEU 181.A N LEU 177.A O.B no hydrogen 3.038 N/A GLU 182.A N GLN 178.A O no hydrogen 2.874 N/A LEU 183.A N TYR 179.A O no hydrogen 3.004 N/A ALA 184.A N ASN 180.A O no hydrogen 2.861 N/A PHE 185.A N LEU 181.A O no hydrogen 2.825 N/A HIS 186.A N GLU 182.A O no hydrogen 2.861 N/A HIS 187.A N LEU 183.A O no hydrogen 2.777 N/A HIS 188.A N ALA 184.A O no hydrogen 3.000 N/A LEU 189.A N PHE 185.A O no hydrogen 2.917 N/A HIS 190.A N HIS 186.A O no hydrogen 2.990 N/A LYS 191.A N HIS 187.A O no hydrogen 2.948 N/A LYS 191.A NZ GLU 6.A OE2 no hydrogen 2.610 N/A THR 192.A N HIS 188.A O no hydrogen 3.093 N/A THR 192.A OG1 HIS 188.A O no hydrogen 2.863 N/A THR 192.A OG1 LEU 189.A O no hydrogen 3.291 N/A HIS 193.A N HIS 190.A O no hydrogen 3.225 N/A ARG 194.A N LEU 189.A O no hydrogen 2.861 N/A ARG 194.A NE GLU 151.A OE2 no hydrogen 2.783 N/A ARG 194.A NH2 LEU 145.A O no hydrogen 2.880 N/A ARG 194.A NH2 GLU 151.A OE1 no hydrogen 2.877 N/A ILE 197.A N ARG 194.A O no hydrogen 3.140 N/A LEU 198.A N GLN 195.A O no hydrogen 3.031 N/A LYS 200.A N ILE 197.A O no hydrogen 2.800 N/A LYS 206.A N PRO 203.A O no hydrogen 2.934 N/A ARG 208.A N LYS 204.A O no hydrogen 3.107 N/A SER 209.A N GLY 205.A O no hydrogen 2.905 N/A SER 209.A OG GLY 205.A O no hydrogen 2.506 N/A SER 209.A OG LYS 206.A O no hydrogen 3.038 N/A LEU 210.A N LYS 206.A O no hydrogen 3.007 N/A CYS 211.A N LEU 207.A O no hydrogen 2.998 N/A SER 212.A N ARG 208.A O no hydrogen 3.034 N/A SER 212.A OG SER 209.A O no hydrogen 3.306 N/A GLN 213.A N SER 209.A O no hydrogen 2.974 N/A HIS 214.A N LEU 210.A O no hydrogen 2.859 N/A VAL 215.A N CYS 211.A O no hydrogen 2.785 N/A GLU 216.A N SER 212.A O no hydrogen 3.055 N/A ARG 217.A N GLN 213.A O no hydrogen 3.176 N/A LEU 218.A N HIS 214.A O no hydrogen 3.061 N/A GLN 219.A N VAL 215.A O no hydrogen 2.876 N/A GLN 219.A NE2 LEU 240.A O no hydrogen 2.993 N/A ILE 220.A N GLU 216.A O no hydrogen 3.052 N/A PHE 221.A N ARG 217.A O no hydrogen 2.991 N/A GLN 222.A N LEU 218.A O no hydrogen 2.785 N/A GLN 222.A NE2 ILE 227.A O no hydrogen 3.186 N/A HIS 223.A N GLN 219.A O no hydrogen 2.924 N/A LEU 224.A N ILE 220.A O no hydrogen 3.011 N/A HIS 225.A N PHE 221.A O no hydrogen 2.746 N/A HIS 225.A NE2 GLU 53.A OE2 no hydrogen 2.450 N/A ILE 227.A N GLN 222.A OE1 no hydrogen 3.082 N/A LEU 236.A N PHE 233.A O no hydrogen 2.787 N/A TYR 237.A N PHE 233.A O no hydrogen 2.854 N/A LYS 238.A N PRO 234.A O no hydrogen 2.949 N/A GLU 239.A N LEU 236.A O no hydrogen 2.932 N/A LEU 240.A N TYR 237.A O no hydrogen 2.974 N/A PHE 241.A N TYR 237.A O no hydrogen 2.986 N/A