Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qs4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 ASP 82.A OD1 no hydrogen 2.807 N/A LEU 5.A N LEU 49.A O no hydrogen 2.826 N/A ILE 6.A N.A ASP 82.A OD2 no hydrogen 2.819 N/A ILE 6.A N.B ASP 82.A OD2 no hydrogen 2.815 N/A VAL 7.A N ASP 51.A O.A no hydrogen 2.957 N/A VAL 7.A N ASP 51.A O.B no hydrogen 2.832 N/A THR 8.A N LEU 83.A O no hydrogen 2.903 N/A THR 9.A N LYS 53.A O no hydrogen 3.296 N/A THR 9.A OG1 VAL 85.A O no hydrogen 2.769 N/A ILE 10.A N THR 9.A OG1 no hydrogen 2.839 N/A GLU 12.A N VAL 16.A O no hydrogen 2.937 N/A VAL 16.A N GLU 12.A O no hydrogen 2.938 N/A MET 17.A N.A GLU 32.A O no hydrogen 2.813 N/A MET 17.A N.B GLU 32.A O no hydrogen 2.821 N/A ARG 19.A N ARG 30.A O no hydrogen 2.824 N/A ARG 19.A NE ASP 29.A O.A no hydrogen 3.027 N/A ARG 19.A NE ASP 29.A O.B no hydrogen 2.935 N/A ARG 19.A NH2 PHE 31.A O no hydrogen 2.924 N/A SER 21.A OG LYS 23.A O no hydrogen 2.411 N/A LYS 23.A N SER 21.A OG no hydrogen 3.212 N/A ASN 28.A ND2 TYR 50.A O no hydrogen 3.032 N/A ARG 30.A N GLY 27.A O no hydrogen 3.107 N/A ARG 30.A NE GLY 27.A O no hydrogen 2.745 N/A ARG 30.A NH2 GLY 27.A O no hydrogen 3.514 N/A PHE 31.A N ASN 28.A O no hydrogen 3.146 N/A GLU 32.A N MET 17.A O.A no hydrogen 2.962 N/A GLU 32.A N MET 17.A O.B no hydrogen 2.882 N/A TYR 34.A N PRO 14.A O no hydrogen 2.963 N/A CYS 35.A N TYR 15.A O no hydrogen 2.767 N/A ASP 37.A N GLY 33.A O no hydrogen 2.995 N/A LEU 38.A N TYR 34.A O no hydrogen 2.850 N/A LEU 39.A N CYS 35.A O no hydrogen 2.846 N/A LYS 40.A N LEU 36.A O no hydrogen 3.037 N/A GLU 41.A N ASP 37.A O no hydrogen 2.923 N/A LEU 42.A N LEU 38.A O no hydrogen 2.841 N/A SER 43.A N.A LEU 39.A O no hydrogen 2.914 N/A SER 43.A N.B LEU 39.A O no hydrogen 2.941 N/A SER 43.A OG.A PHE 48.A O no hydrogen 2.393 N/A SER 43.A OG.B LYS 40.A O no hydrogen 2.737 N/A ASN 44.A N LYS 40.A O no hydrogen 3.204 N/A ASN 44.A N GLU 41.A O no hydrogen 3.282 N/A ILE 45.A N LEU 42.A O no hydrogen 3.071 N/A LEU 46.A N LEU 42.A O no hydrogen 2.939 N/A GLY 47.A N SER 43.A O.A no hydrogen 2.787 N/A GLY 47.A N SER 43.A O.B no hydrogen 3.010 N/A PHE 48.A N SER 43.A O.A no hydrogen 3.124 N/A PHE 48.A N SER 43.A O.B no hydrogen 3.102 N/A ASP 51.A N.A LEU 5.A O no hydrogen 2.868 N/A ASP 51.A N.B LEU 5.A O no hydrogen 2.863 N/A VAL 52.A N ASN 28.A OD1 no hydrogen 2.958 N/A LYS 53.A N VAL 7.A O no hydrogen 2.833 N/A VAL 55.A N THR 9.A O no hydrogen 2.793 N/A GLY 58.A N VAL 55.A O no hydrogen 3.071 N/A LYS 59.A N ASP 57.A OD1 no hydrogen 2.893 N/A TYR 60.A OH GLU 12.A OE2 no hydrogen 2.627 N/A ALA 62.A N ASN 70.A OD1 no hydrogen 2.883 N/A ASN 64.A N GLU 68.A O no hydrogen 2.985 N/A ASN 64.A ND2 GLU 68.A OE1 no hydrogen 2.720 N/A LYS 66.A N ASN 64.A OD1 no hydrogen 2.767 N/A GLY 67.A N ASN 64.A O no hydrogen 2.959 N/A GLU 68.A N ASN 64.A OD1 no hydrogen 3.004 N/A ASN 70.A N ALA 62.A O no hydrogen 3.150 N/A GLY 71.A N ASP 57.A OD2 no hydrogen 2.917 N/A MET 72.A N LYS 59.A O no hydrogen 3.014 N/A VAL 73.A N TYR 60.A O no hydrogen 3.237 N/A LYS 74.A N ASN 70.A O no hydrogen 3.109 N/A LYS 74.A NZ ASP 78.A OD2 no hydrogen 2.658 N/A GLU 75.A N GLY 71.A O no hydrogen 3.099 N/A LEU 76.A N MET 72.A O no hydrogen 3.059 N/A ILE 77.A N VAL 73.A O no hydrogen 2.875 N/A ASP 78.A N LYS 74.A O no hydrogen 2.910 N/A HIS 79.A N LEU 76.A O no hydrogen 2.940 N/A ARG 80.A N GLU 75.A O no hydrogen 2.877 N/A ARG 80.A NE GLU 75.A OE1 no hydrogen 3.302 N/A ARG 80.A NE GLU 75.A OE2 no hydrogen 3.018 N/A ARG 80.A NH1 ASP 78.A OD2 no hydrogen 2.937 N/A ARG 80.A NH2 GLU 75.A OE1 no hydrogen 2.834 N/A ARG 80.A NH2 ASP 78.A OD2 no hydrogen 3.358 N/A ALA 81.A N GLU 75.A O no hydrogen 3.321 N/A ASP 82.A N ILE 6.A O.A no hydrogen 2.763 N/A ASP 82.A N ILE 6.A O.B no hydrogen 2.716 N/A LEU 83.A N ILE 6.A O.A no hydrogen 3.264 N/A LEU 83.A N ILE 6.A O.B no hydrogen 3.325 N/A ALA 84.A N GLY 218.A O no hydrogen 2.836 N/A VAL 85.A N THR 8.A O no hydrogen 3.207 N/A LEU 88.A N ALA 86.A O no hydrogen 2.778 N/A ILE 90.A N GLY 214.A O no hydrogen 2.938 N/A ARG 94.A N THR 91.A OG1 no hydrogen 3.315 N/A ARG 94.A NE GLY 61.A O no hydrogen 3.199 N/A ARG 94.A NH1 THR 89.A O no hydrogen 2.954 N/A ARG 94.A NH2 GLY 61.A O no hydrogen 2.954 N/A GLU 95.A N THR 91.A O no hydrogen 2.955 N/A LYS 96.A N VAL 93.A O no hydrogen 3.314 N/A VAL 97.A N ARG 94.A O no hydrogen 2.939 N/A ILE 98.A N ARG 94.A O no hydrogen 2.949 N/A ASP 99.A N THR 219.A O no hydrogen 2.897 N/A SER 101.A N VAL 217.A O no hydrogen 2.919 N/A SER 101.A OG LYS 102.A O no hydrogen 2.776 N/A LYS 102.A N THR 230.A OG1 no hydrogen 2.875 N/A LYS 102.A NZ GLN 237.A OE1 no hydrogen 2.618 N/A PHE 104.A N TYR 215.A O no hydrogen 2.827 N/A THR 106.A OG1.B LYS 213.A O no hydrogen 3.395 N/A LEU 107.A N LYS 213.A O no hydrogen 2.872 N/A GLY 108.A N SER 190.A OG no hydrogen 3.093 N/A ILE 109.A N ILE 210.A O no hydrogen 2.634 N/A SER 110.A N MET 188.A O.A no hydrogen 2.823 N/A SER 110.A N MET 188.A O.B no hydrogen 2.919 N/A SER 110.A OG ILE 206.A O no hydrogen 3.119 N/A SER 110.A OG GLY 208.A O no hydrogen 3.054 N/A ILE 111.A N SER 110.A OG no hydrogen 2.736 N/A LEU 112.A N LEU 186.A O no hydrogen 2.825 N/A TYR 113.A N THR 204.A O no hydrogen 3.047 N/A TYR 113.A OH ASP 183.A OD1 no hydrogen 2.579 N/A ARG 114.A NH2 LEU 180.A O no hydrogen 2.874 N/A LYS 115.A N ASN 202.A O no hydrogen 2.983 N/A LYS 115.A NZ CYS 201.A O.A no hydrogen 2.687 N/A LYS 115.A NZ CYS 201.A O.B no hydrogen 2.662 N/A ILE 119.A N THR 117.A OG1 no hydrogen 3.175 N/A ASP 120.A N ASP 124.A OD2 no hydrogen 2.774 N/A ASP 124.A N SER 121.A OG.A no hydrogen 2.970 N/A LEU 125.A N SER 121.A O.A no hydrogen 3.311 N/A LEU 125.A N SER 121.A O.B no hydrogen 3.295 N/A ALA 126.A N ALA 122.A O no hydrogen 2.833 N/A LYS 127.A N ASP 123.A O.A no hydrogen 3.341 N/A LYS 127.A N ASP 123.A O.B no hydrogen 3.227 N/A GLN 128.A N LEU 125.A O no hydrogen 3.290 N/A GLN 128.A NE2 LEU 125.A O no hydrogen 2.877 N/A GLN 128.A NE2 ILE 131.A O no hydrogen 2.893 N/A ILE 131.A N GLN 128.A OE1 no hydrogen 2.749 N/A GLU 132.A N.A ASP 183.A O no hydrogen 3.241 N/A GLU 132.A N.B ASP 183.A O no hydrogen 3.232 N/A GLY 134.A N ALA 185.A O no hydrogen 3.119 N/A ARG 137.A N.A VAL 169.A O no hydrogen 2.756 N/A ARG 137.A N.B VAL 169.A O no hydrogen 2.779 N/A ARG 137.A NH2.A GLN 165.A O no hydrogen 3.012 N/A GLY 139.A N VAL 136.A O no hydrogen 3.108 N/A SER 140.A OG.A GLU 189.A OE2 no hydrogen 2.812 N/A THR 143.A N GLY 139.A O no hydrogen 2.983 N/A THR 143.A OG1 GLY 139.A O no hydrogen 2.948 N/A PHE 144.A N SER 140.A O.A no hydrogen 2.988 N/A PHE 144.A N SER 140.A O.B no hydrogen 3.076 N/A PHE 145.A N THR 141.A O no hydrogen 3.213 N/A LYS 146.A N MET 142.A O no hydrogen 3.001 N/A LYS 147.A N THR 143.A O no hydrogen 2.997 N/A SER 148.A N PHE 145.A O no hydrogen 3.340 N/A ILE 150.A N SER 148.A OG no hydrogen 3.118 N/A TYR 153.A N ILE 150.A O no hydrogen 3.105 N/A GLU 154.A N ILE 150.A O no hydrogen 2.874 N/A LYS 155.A N SER 151.A O no hydrogen 3.028 N/A MET 156.A N.A THR 152.A O no hydrogen 3.039 N/A MET 156.A N.B THR 152.A O no hydrogen 3.056 N/A TRP 157.A N TYR 153.A O no hydrogen 2.811 N/A ALA 158.A N GLU 154.A O no hydrogen 2.924 N/A PHE 159.A N LYS 155.A O no hydrogen 3.115 N/A MET 160.A N MET 156.A O.A no hydrogen 2.835 N/A MET 160.A N MET 156.A O.B no hydrogen 2.823 N/A SER 161.A N TRP 157.A O no hydrogen 2.866 N/A SER 161.A OG TRP 157.A O no hydrogen 2.870 N/A SER 162.A N PHE 159.A O no hydrogen 3.096 N/A SER 162.A OG PHE 159.A O no hydrogen 2.762 N/A ARG 163.A NE SER 162.A OG no hydrogen 2.998 N/A ARG 163.A NH1 GLU 132.A OE1.B no hydrogen 3.457 N/A ARG 163.A NH1 GLU 132.A OE2.B no hydrogen 2.742 N/A ARG 163.A NH2 GLU 132.A OE1.B no hydrogen 2.833 N/A ARG 163.A NH2 GLU 132.A OE2.A no hydrogen 3.327 N/A ARG 163.A NH2 GLU 132.A OE2.B no hydrogen 3.562 N/A GLN 165.A N SER 162.A O no hydrogen 2.868 N/A SER 166.A N.A ARG 163.A O no hydrogen 3.061 N/A SER 166.A N.B ARG 163.A O no hydrogen 3.076 N/A SER 166.A OG.A ARG 163.A O no hydrogen 3.344 N/A SER 166.A OG.B ARG 163.A O no hydrogen 2.897 N/A LEU 168.A N GLN 165.A O no hydrogen 2.994 N/A VAL 169.A N ALA 135.A O no hydrogen 3.078 N/A GLU 174.A N ASN 171.A OD1 no hydrogen 2.866 N/A GLY 175.A N ASN 171.A O no hydrogen 3.024 N/A ILE 176.A N SER 172.A O.A no hydrogen 2.833 N/A ILE 176.A N SER 172.A O.B no hydrogen 2.800 N/A ILE 176.A N SER 172.A O.C no hydrogen 2.850 N/A GLN 177.A N.A ASP 173.A O no hydrogen 3.032 N/A GLN 177.A N.B ASP 173.A O no hydrogen 3.061 N/A ARG 178.A N GLU 174.A O no hydrogen 2.803 N/A ARG 178.A NH1 SER 166.A O.A no hydrogen 2.996 N/A ARG 178.A NH1 SER 166.A O.B no hydrogen 3.019 N/A ARG 178.A NH2 GLU 132.A OE1.A no hydrogen 2.816 N/A ARG 178.A NH2 SER 166.A O.A no hydrogen 3.221 N/A ARG 178.A NH2 SER 166.A O.B no hydrogen 2.953 N/A VAL 179.A N GLY 175.A O no hydrogen 2.989 N/A LEU 180.A N ILE 176.A O no hydrogen 2.968 N/A THR 181.A N GLN 177.A O.A no hydrogen 2.934 N/A THR 181.A N GLN 177.A O.B no hydrogen 2.858 N/A THR 181.A OG1 GLN 177.A O.A no hydrogen 3.296 N/A THR 181.A OG1 GLN 177.A O.B no hydrogen 3.334 N/A THR 182.A N ARG 178.A O no hydrogen 3.018 N/A THR 182.A OG1 ARG 178.A O no hydrogen 2.729 N/A TYR 184.A OH ALA 167.A O no hydrogen 2.657 N/A ALA 185.A N GLU 132.A O.A no hydrogen 2.867 N/A ALA 185.A N GLU 132.A O.B no hydrogen 2.816 N/A LEU 186.A N LEU 112.A O no hydrogen 2.967 N/A LEU 187.A N GLY 134.A O no hydrogen 2.780 N/A MET 188.A N.A SER 110.A O no hydrogen 2.956 N/A MET 188.A N.B SER 110.A O no hydrogen 2.974 N/A SER 190.A N GLY 108.A O no hydrogen 2.772 N/A SER 190.A OG GLY 108.A O no hydrogen 3.314 N/A THR 191.A OG1 TYR 15.A OH no hydrogen 3.400 N/A THR 191.A OG1 TYR 215.A OH no hydrogen 2.863 N/A ILE 193.A N GLU 189.A O no hydrogen 3.037 N/A GLU 194.A N SER 190.A O no hydrogen 2.854 N/A TYR 195.A N THR 191.A O no hydrogen 3.198 N/A TYR 195.A OH GLU 13.A OE1 no hydrogen 2.591 N/A VAL 196.A N SER 192.A O no hydrogen 3.052 N/A THR 197.A N ILE 193.A O no hydrogen 2.824 N/A THR 197.A OG1 ILE 193.A O no hydrogen 3.332 N/A THR 197.A OG1 GLU 194.A O no hydrogen 3.306 N/A GLN 198.A N GLU 194.A O no hydrogen 3.210 N/A ARG 199.A N VAL 196.A O no hydrogen 2.959 N/A ARG 199.A NH1 TYR 195.A O no hydrogen 2.985 N/A ARG 199.A NH1 TRP 250.A O no hydrogen 2.875 N/A ASN 200.A ND2 VAL 196.A O no hydrogen 2.944 N/A CYS 201.A SG.A GLY 254.A O no hydrogen 3.724 N/A LEU 203.A N ASN 200.A O no hydrogen 3.137 N/A THR 204.A N TYR 113.A O no hydrogen 2.850 N/A THR 204.A OG1 GLN 205.A O no hydrogen 3.280 N/A GLN 205.A NE2 GLY 207.A O no hydrogen 2.988 N/A ILE 206.A N ILE 111.A O no hydrogen 2.787 N/A ILE 210.A N ILE 109.A O no hydrogen 2.815 N/A LYS 213.A N LEU 107.A O no hydrogen 2.981 N/A LYS 213.A NZ ASP 211.A OD1 no hydrogen 2.538 N/A TYR 215.A N MET 105.A O no hydrogen 2.961 N/A TYR 215.A OH GLU 189.A OE1 no hydrogen 2.503 N/A TYR 215.A OH THR 191.A OG1 no hydrogen 2.863 N/A GLY 216.A N LEU 88.A O no hydrogen 3.013 N/A VAL 217.A N SER 101.A OG no hydrogen 3.016 N/A GLY 218.A N ALA 84.A O no hydrogen 2.995 N/A THR 219.A N ASP 99.A O no hydrogen 2.833 N/A THR 219.A OG1 PRO 220.A O no hydrogen 3.028 N/A GLY 222.A N ASP 99.A OD2 no hydrogen 3.009 N/A SER 223.A N PRO 220.A O no hydrogen 3.101 N/A TYR 225.A N SER 223.A OG no hydrogen 2.967 N/A ARG 226.A N SER 223.A O no hydrogen 3.322 N/A ILE 229.A N.A TYR 225.A O no hydrogen 2.865 N/A ILE 229.A N.B TYR 225.A O no hydrogen 2.924 N/A THR 230.A N ARG 226.A O no hydrogen 3.098 N/A THR 230.A OG1 ARG 226.A O no hydrogen 3.504 N/A ILE 231.A N ASP 227.A O no hydrogen 3.047 N/A ALA 232.A N LYS 228.A O no hydrogen 2.986 N/A ILE 233.A N ILE 229.A O.A no hydrogen 2.822 N/A ILE 233.A N ILE 229.A O.B no hydrogen 2.792 N/A LEU 234.A N THR 230.A O no hydrogen 3.020 N/A GLN 235.A N ILE 231.A O no hydrogen 3.110 N/A GLN 235.A NE2 GLU 239.A OE1 no hydrogen 2.840 N/A LEU 236.A N ALA 232.A O no hydrogen 2.937 N/A GLN 237.A N ILE 233.A O no hydrogen 2.879 N/A GLU 238.A N.A LEU 234.A O no hydrogen 3.030 N/A GLU 238.A N.B LEU 234.A O no hydrogen 3.005 N/A GLU 239.A N GLN 235.A O no hydrogen 2.987 N/A GLY 240.A N GLN 237.A O no hydrogen 2.990 N/A LYS 241.A N LEU 236.A O no hydrogen 2.839 N/A LYS 241.A NZ GLU 41.A OE1 no hydrogen 3.019 N/A MET 244.A N GLY 240.A O no hydrogen 3.071 N/A MET 245.A N LYS 241.A O no hydrogen 2.887 N/A LYS 246.A N LEU 242.A O no hydrogen 2.968 N/A LYS 246.A NZ GLU 194.A OE1 no hydrogen 2.770 N/A GLU 247.A N HIS 243.A O no hydrogen 2.960 N/A LYS 248.A N MET 244.A O no hydrogen 2.968 N/A TRP 249.A N MET 245.A O no hydrogen 3.112 N/A TRP 249.A NE1 ASP 37.A OD2 no hydrogen 2.805 N/A TRP 250.A N LYS 246.A O no hydrogen 2.858 N/A TRP 250.A NE1 THR 191.A O no hydrogen 2.998 N/A ARG 251.A N GLU 247.A O no hydrogen 3.030 N/A GLY 252.A N GLN 198.A OE1 no hydrogen 3.201 N/A