Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6nml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N GLU 72.A O no hydrogen 2.991 N/A MET 7.A N PRO 47.A O no hydrogen 2.837 N/A THR 8.A N GLU 11.A OE2 no hydrogen 2.977 N/A ARG 9.A NH1 ASP 45.A OD2 no hydrogen 3.079 N/A GLU 11.A N THR 8.A OG1 no hydrogen 3.127 N/A ARG 12.A N THR 8.A O no hydrogen 3.093 N/A ARG 12.A NE ASP 45.A OD1 no hydrogen 2.776 N/A ARG 12.A NH1 PRO 47.A O no hydrogen 3.435 N/A ARG 12.A NH2 ASP 45.A OD1 no hydrogen 2.908 N/A MET 13.A N ARG 9.A O no hydrogen 3.015 N/A LYS 14.A N GLU 10.A O.A no hydrogen 3.101 N/A LYS 14.A N GLU 10.A O.B no hydrogen 3.111 N/A ILE 15.A N GLU 11.A O no hydrogen 3.205 N/A VAL 16.A N ARG 12.A O no hydrogen 2.997 N/A HIS 17.A N MET 13.A O no hydrogen 3.094 N/A GLU 18.A N LYS 14.A O no hydrogen 3.159 N/A ILE 19.A N ILE 15.A O no hydrogen 2.927 N/A LYS 20.A N VAL 16.A O no hydrogen 2.829 N/A GLU 21.A N HIS 17.A O no hydrogen 3.008 N/A ARG 22.A N GLU 18.A O no hydrogen 3.092 N/A ILE 23.A N ILE 19.A O no hydrogen 2.851 N/A LEU 24.A N LYS 20.A O no hydrogen 2.973 N/A ASP 25.A N GLU 21.A O no hydrogen 2.951 N/A LYS 26.A N ARG 22.A O no hydrogen 2.975 N/A TYR 27.A N ILE 23.A O no hydrogen 2.978 N/A GLY 28.A N LEU 24.A O no hydrogen 2.893 N/A ASP 30.A N TYR 27.A O no hydrogen 3.041 N/A VAL 31.A N GLY 28.A O no hydrogen 3.098 N/A LYS 32.A N VAL 56.A O no hydrogen 2.743 N/A LYS 32.A NZ GLU 82.A OE2 no hydrogen 2.550 N/A ALA 33.A N VAL 56.A O no hydrogen 3.407 N/A ILE 34.A N TYR 110.A O no hydrogen 2.684 N/A GLY 35.A N MET 54.A O no hydrogen 2.945 N/A VAL 36.A N LEU 107.A O no hydrogen 2.929 N/A TYR 37.A N GLU 52.A O.A no hydrogen 3.182 N/A TYR 37.A N GLU 52.A O.B no hydrogen 3.163 N/A TYR 37.A OH ASN 78.A OD1 no hydrogen 2.813 N/A GLY 41.A N TYR 37.A O no hydrogen 3.427 N/A ARG 42.A N GLY 38.A O no hydrogen 3.371 N/A ARG 42.A NH1 SER 105.A OG no hydrogen 3.281 N/A GLN 43.A N LEU 40.A O no hydrogen 3.044 N/A GLN 43.A NE2 LEU 40.A O no hydrogen 2.775 N/A THR 44.A N SER 39.A O no hydrogen 2.879 N/A THR 44.A OG1 SER 39.A O no hydrogen 3.546 N/A GLY 46.A N SER 49.A OG no hydrogen 2.614 N/A SER 49.A N GLY 46.A O no hydrogen 3.327 N/A SER 49.A OG GLY 46.A O no hydrogen 3.329 N/A ILE 51.A N LYS 74.A O no hydrogen 3.302 N/A MET 53.A N GLU 76.A O no hydrogen 2.847 N/A MET 54.A N GLY 35.A O no hydrogen 2.836 N/A CYS 55.A N.A ASN 78.A O no hydrogen 2.726 N/A CYS 55.A N.B ASN 78.A O no hydrogen 2.710 N/A CYS 55.A SG.A ALA 33.A O no hydrogen 3.587 N/A CYS 55.A SG.A VAL 56.A O no hydrogen 4.005 N/A VAL 56.A N ALA 33.A O no hydrogen 2.920 N/A MET 57.A N ASP 80.A O no hydrogen 2.757 N/A SER 58.A N ASP 30.A O no hydrogen 2.907 N/A SER 58.A OG ASP 30.A O no hydrogen 3.465 N/A SER 58.A OG ASP 30.A OD1 no hydrogen 3.130 N/A THR 59.A OG1 ASP 30.A OD1 no hydrogen 2.824 N/A PHE 64.A N PHE 79.A O no hydrogen 2.999 N/A HIS 66.A N VAL 77.A O no hydrogen 2.833 N/A TRP 68.A N VAL 75.A O no hydrogen 2.974 N/A THR 69.A OG1 TRP 73.A O no hydrogen 2.855 N/A THR 70.A N TRP 73.A O no hydrogen 3.014 N/A GLY 71.A N THR 69.A OG1 no hydrogen 2.872 N/A LYS 74.A NZ GLU 67.A OE1 no hydrogen 2.615 N/A VAL 75.A N TRP 68.A O no hydrogen 2.907 N/A GLU 76.A N ILE 51.A O no hydrogen 2.921 N/A VAL 77.A N HIS 66.A O no hydrogen 2.778 N/A ASN 78.A N MET 53.A O no hydrogen 2.961 N/A ASN 78.A ND2 GLU 76.A OE1 no hydrogen 3.071 N/A PHE 79.A N PHE 64.A O no hydrogen 2.727 N/A ASP 80.A N CYS 55.A O.A no hydrogen 2.977 N/A ASP 80.A N CYS 55.A O.B no hydrogen 3.022 N/A SER 81.A N ALA 62.A O no hydrogen 3.014 N/A SER 81.A OG GLU 60.A OE1 no hydrogen 3.298 N/A SER 81.A OG GLU 60.A OE2 no hydrogen 3.313 N/A ILE 84.A N.A SER 81.A OG no hydrogen 3.249 N/A ILE 84.A N.B SER 81.A OG no hydrogen 3.249 N/A LEU 85.A N SER 81.A O no hydrogen 2.965 N/A LEU 86.A N GLU 82.A O no hydrogen 2.958 N/A ASP 87.A N GLU 83.A O no hydrogen 3.022 N/A TYR 88.A N ILE 84.A O.A no hydrogen 2.967 N/A TYR 88.A N ILE 84.A O.B no hydrogen 2.996 N/A ALA 89.A N LEU 85.A O no hydrogen 2.868 N/A SER 90.A N ASP 87.A O no hydrogen 3.226 N/A SER 90.A OG LEU 86.A O no hydrogen 3.095 N/A SER 90.A OG ASP 87.A O no hydrogen 3.095 N/A GLN 91.A N TYR 88.A O no hydrogen 3.339 N/A GLN 91.A NE2 ASP 87.A O no hydrogen 3.253 N/A GLN 91.A NE2 SER 90.A OG no hydrogen 3.383 N/A SER 94.A OG.B GLU 142.A OE1 no hydrogen 3.456 N/A TRP 96.A N GLU 93.A O no hydrogen 3.185 N/A LEU 98.A N ASP 95.A O no hydrogen 2.937 N/A THR 99.A N ASP 95.A O no hydrogen 2.978 N/A THR 99.A N TRP 96.A O no hydrogen 3.270 N/A THR 99.A OG1 ASP 95.A O no hydrogen 3.239 N/A THR 99.A OG1 HIS 100.A ND1 no hydrogen 2.790 N/A HIS 100.A N TRP 96.A O no hydrogen 3.024 N/A HIS 100.A ND1 THR 99.A OG1 no hydrogen 2.790 N/A HIS 100.A NE2 TYR 88.A O no hydrogen 2.810 N/A PHE 103.A N HIS 100.A O no hydrogen 3.231 N/A PHE 104.A N GLY 101.A O no hydrogen 2.918 N/A SER 105.A N GLN 102.A O no hydrogen 3.121 N/A SER 105.A OG GLY 101.A O no hydrogen 3.049 N/A LEU 107.A N VAL 36.A O no hydrogen 2.712 N/A ILE 109.A N ILE 34.A O no hydrogen 3.036 N/A TYR 110.A N ILE 34.A O no hydrogen 3.124 N/A SER 112.A N LYS 32.A O no hydrogen 2.998 N/A SER 112.A OG LYS 32.A O no hydrogen 2.966 N/A GLY 113.A N ASP 111.A OD2 no hydrogen 3.166 N/A TYR 115.A N ASP 111.A OD2 no hydrogen 2.868 N/A LEU 116.A N ASP 111.A OD1 no hydrogen 2.902 N/A LYS 118.A N GLY 114.A O no hydrogen 3.104 N/A LYS 118.A NZ GLU 82.A OE1 no hydrogen 2.460 N/A VAL 119.A N TYR 115.A O no hydrogen 2.976 N/A TYR 120.A N LEU 116.A O no hydrogen 2.975 N/A GLN 121.A N GLU 117.A O no hydrogen 2.911 N/A GLN 121.A NE2 GLU 117.A OE1 no hydrogen 2.732 N/A THR 122.A N LYS 118.A O no hydrogen 3.034 N/A THR 122.A OG1 LYS 118.A O no hydrogen 3.039 N/A ALA 123.A N VAL 119.A O no hydrogen 3.039 N/A LYS 124.A N TYR 120.A O no hydrogen 3.127 N/A SER 125.A N THR 122.A O no hydrogen 3.278 N/A SER 125.A OG GLN 121.A O no hydrogen 2.762 N/A GLN 129.A NE2 ASP 133.A OD1 no hydrogen 2.670 N/A LYS 130.A N GLU 127.A O no hydrogen 3.162 N/A LYS 130.A NZ GLN 91.A OE1 no hydrogen 3.287 N/A HIS 132.A N ALA 128.A O no hydrogen 3.155 N/A HIS 132.A NE2 GLY 242.A O no hydrogen 3.034 N/A ASP 133.A N GLN 129.A O no hydrogen 2.878 N/A ALA 134.A N LYS 130.A O no hydrogen 3.058 N/A ILE 135.A N PHE 131.A O no hydrogen 2.956 N/A CYS 136.A N HIS 132.A O no hydrogen 3.132 N/A CYS 136.A SG HIS 132.A O no hydrogen 3.436 N/A ALA 137.A N ASP 133.A O no hydrogen 2.969 N/A LEU 138.A N ALA 134.A O no hydrogen 2.911 N/A ILE 139.A N ILE 135.A O no hydrogen 3.126 N/A VAL 140.A N CYS 136.A O no hydrogen 3.357 N/A GLU 141.A N ALA 137.A O no hydrogen 2.776 N/A GLU 142.A N LEU 138.A O no hydrogen 2.983 N/A LEU 143.A N LEU 138.A O no hydrogen 3.253 N/A PHE 144.A N ILE 139.A O no hydrogen 2.893 N/A TYR 146.A N GLU 142.A O no hydrogen 2.914 N/A TYR 146.A OH GLU 142.A OE2 no hydrogen 3.160 N/A ALA 147.A N LEU 143.A O no hydrogen 3.014 N/A GLY 148.A N PHE 144.A O no hydrogen 3.255 N/A LYS 149.A N GLU 145.A O no hydrogen 3.082 N/A TRP 150.A N TYR 146.A O no hydrogen 3.024 N/A TRP 150.A NE1 GLU 228.A OE1 no hydrogen 2.949 N/A ARG 151.A N ALA 147.A O no hydrogen 2.965 N/A ARG 151.A NE GLU 228.A OE1 no hydrogen 2.858 N/A ARG 151.A NH2 GLU 228.A OE2 no hydrogen 2.948 N/A ASN 152.A N GLY 148.A O no hydrogen 2.886 N/A ILE 153.A N LYS 149.A O no hydrogen 2.983 N/A ARG 154.A N TRP 150.A O no hydrogen 3.018 N/A VAL 155.A N ARG 151.A O no hydrogen 3.394 N/A VAL 155.A N ASN 152.A O no hydrogen 3.169 N/A GLN 156.A N ASN 152.A O no hydrogen 2.816 N/A GLY 157.A N ILE 153.A O no hydrogen 2.806 N/A PHE 161.A N PRO 158.A O no hydrogen 3.273 N/A LEU 162.A N THR 159.A O no hydrogen 3.069 N/A LEU 165.A N PHE 161.A O no hydrogen 2.908 N/A THR 166.A N LEU 162.A O no hydrogen 2.822 N/A THR 166.A OG1 LEU 162.A O no hydrogen 2.779 N/A VAL 167.A N PRO 163.A O no hydrogen 3.126 N/A GLN 168.A N SER 164.A O no hydrogen 3.093 N/A VAL 169.A N LEU 165.A O no hydrogen 2.939 N/A ALA 170.A N THR 166.A O no hydrogen 3.013 N/A MET 171.A N VAL 167.A O no hydrogen 2.988 N/A ALA 172.A N GLN 168.A O no hydrogen 2.925 N/A GLY 173.A N VAL 169.A O no hydrogen 2.866 N/A ALA 174.A N ALA 170.A O no hydrogen 3.056 N/A MET 175.A N MET 171.A O no hydrogen 3.000 N/A LEU 176.A N ALA 172.A O no hydrogen 2.956 N/A ILE 177.A N GLY 173.A O no hydrogen 2.959 N/A GLY 178.A N ALA 174.A O no hydrogen 2.879 N/A LEU 179.A N MET 175.A O no hydrogen 2.874 N/A HIS 180.A N LEU 176.A O no hydrogen 3.116 N/A HIS 180.A ND1 TYR 243.A OH no hydrogen 2.617 N/A HIS 181.A N ILE 177.A O no hydrogen 2.948 N/A HIS 181.A NE2 SER 199.A O no hydrogen 2.692 N/A ARG 182.A NE LEU 179.A O no hydrogen 3.517 N/A ILE 183.A N GLY 178.A O no hydrogen 3.053 N/A CYS 184.A SG TRP 96.A O no hydrogen 3.880 N/A TYR 185.A N PRO 97.A O no hydrogen 2.736 N/A TYR 185.A OH ALA 174.A O no hydrogen 2.539 N/A THR 186.A N GLU 194.A OE1 no hydrogen 3.480 N/A THR 186.A OG1 GLU 194.A OE1 no hydrogen 3.022 N/A THR 187.A N SER 190.A OG no hydrogen 3.174 N/A SER 190.A N THR 187.A O no hydrogen 3.167 N/A SER 190.A OG THR 187.A O no hydrogen 3.063 N/A SER 190.A OG GLU 194.A OE1 no hydrogen 2.804 N/A VAL 191.A N SER 188.A O no hydrogen 3.436 N/A THR 193.A OG1 SER 190.A O no hydrogen 2.948 N/A GLU 194.A N SER 190.A O no hydrogen 2.747 N/A ALA 195.A N VAL 191.A O no hydrogen 2.867 N/A VAL 196.A N LEU 192.A O no hydrogen 3.147 N/A LYS 197.A N GLU 194.A O no hydrogen 3.297 N/A GLN 198.A N ALA 195.A O no hydrogen 3.401 N/A GLN 198.A NE2 GLU 194.A O no hydrogen 3.029 N/A TYR 205.A N PRO 202.A O no hydrogen 3.226 N/A TYR 205.A OH ALA 170.A O no hydrogen 2.798 N/A LEU 208.A N GLY 204.A O no hydrogen 3.080 N/A CYS 209.A N TYR 205.A O no hydrogen 2.883 N/A CYS 209.A SG TYR 205.A O no hydrogen 3.546 N/A GLN 210.A N ASP 206.A O no hydrogen 3.047 N/A GLN 210.A N HIS 207.A O no hydrogen 3.216 N/A VAL 212.A N LEU 208.A O no hydrogen 3.386 N/A MET 213.A N CYS 209.A O no hydrogen 2.688 N/A SER 214.A N GLN 210.A O no hydrogen 3.067 N/A SER 214.A OG GLN 210.A O no hydrogen 2.691 N/A SER 214.A OG PHE 211.A O no hydrogen 3.332 N/A GLY 215.A N PHE 211.A O no hydrogen 3.068 N/A GLN 216.A N SER 214.A OG no hydrogen 3.377 N/A LEU 217.A N GLY 215.A O no hydrogen 3.049 N/A LYS 222.A N ASP 219.A OD2 no hydrogen 3.227 N/A LEU 223.A N ASP 219.A O no hydrogen 3.104 N/A LEU 224.A N SER 220.A O no hydrogen 3.022 N/A GLU 225.A N GLU 221.A O no hydrogen 3.073 N/A SER 226.A N LYS 222.A O no hydrogen 2.869 N/A LEU 227.A N LEU 223.A O no hydrogen 2.737 N/A GLU 228.A N LEU 224.A O no hydrogen 3.011 N/A ASN 229.A N GLU 225.A O no hydrogen 3.070 N/A PHE 230.A N SER 226.A O no hydrogen 2.973 N/A TRP 231.A N LEU 227.A O no hydrogen 2.813 N/A ASN 232.A N GLU 228.A O no hydrogen 2.787 N/A GLY 233.A N ASN 229.A O no hydrogen 2.863 N/A ILE 234.A N.A PHE 230.A O no hydrogen 2.861 N/A ILE 234.A N.B PHE 230.A O no hydrogen 2.857 N/A GLN 235.A N TRP 231.A O no hydrogen 3.333 N/A GLU 236.A N ASN 232.A O no hydrogen 3.231 N/A TRP 237.A N GLY 233.A O no hydrogen 2.835 N/A TRP 237.A NE1 ASP 200.A O no hydrogen 2.920 N/A THR 238.A N ILE 234.A O.A no hydrogen 2.753 N/A THR 238.A N ILE 234.A O.B no hydrogen 2.747 N/A THR 238.A OG1 ILE 234.A O.A no hydrogen 2.982 N/A THR 238.A OG1 ILE 234.A O.B no hydrogen 2.995 N/A THR 238.A OG1 GLN 235.A O no hydrogen 3.176 N/A GLU 239.A N GLN 235.A O no hydrogen 3.404 N/A ARG 240.A N GLU 236.A O no hydrogen 3.088 N/A ARG 240.A NE GLU 236.A OE1 no hydrogen 2.482 N/A ARG 240.A NH1 ASP 200.A OD1 no hydrogen 3.014 N/A ARG 240.A NH1 ASP 200.A OD2 no hydrogen 3.424 N/A ARG 240.A NH2 GLU 236.A OE1 no hydrogen 3.253 N/A ARG 240.A NH2 GLU 236.A OE2 no hydrogen 2.762 N/A HIS 241.A N TRP 237.A O no hydrogen 3.129 N/A HIS 241.A ND1 TRP 237.A O no hydrogen 3.162 N/A HIS 241.A NE2 ASP 200.A OD2 no hydrogen 3.001 N/A GLY 242.A N GLU 239.A O no hydrogen 3.263 N/A TYR 243.A N THR 238.A O no hydrogen 2.829 N/A TYR 243.A OH HIS 180.A ND1 no hydrogen 2.617 N/A SER 248.A N ASP 246.A OD2 no hydrogen 2.950 N/A SER 248.A OG ASP 246.A OD2 no hydrogen 2.603 N/A