Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rx9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 68.A O no hydrogen 2.807 N/A ASP 4.A N TYR 25.A OH no hydrogen 3.076 N/A ARG 5.A NE GLU 72.A OE1 no hydrogen 3.131 N/A ARG 5.A NH1 ARG 5.A O no hydrogen 3.294 N/A ARG 5.A NH2 GLU 72.A OE2 no hydrogen 3.380 N/A LYS 6.A N ASP 4.A OD1 no hydrogen 3.092 N/A LEU 7.A N ASP 4.A O no hydrogen 2.915 N/A LEU 8.A N ARG 5.A O no hydrogen 3.141 N/A THR 9.A N TYR 24.A O no hydrogen 2.889 N/A GLU 11.A N LYS 22.A O no hydrogen 2.896 N/A LEU 15.A N VAL 20.A O no hydrogen 2.790 N/A THR 19.A N ILE 38.A O no hydrogen 3.116 N/A VAL 20.A N GLY 16.A O no hydrogen 3.238 N/A LYS 21.A N VAL 36.A O no hydrogen 2.845 N/A GLY 23.A N VAL 34.A O no hydrogen 2.853 N/A TYR 24.A N THR 9.A O no hydrogen 2.894 N/A TYR 25.A N LYS 32.A O no hydrogen 2.798 N/A GLN 26.A N LEU 7.A O no hydrogen 3.050 N/A GLN 26.A NE2 MET 27.A O no hydrogen 2.840 N/A GLN 26.A NE2 LYS 29.A O no hydrogen 3.291 N/A MET 27.A N VAL 30.A O no hydrogen 2.924 N/A LYS 32.A N TYR 25.A O no hydrogen 2.814 N/A VAL 34.A N GLY 23.A O no hydrogen 2.786 N/A ALA 35.A N MET 78.A O no hydrogen 2.934 N/A VAL 36.A N LYS 21.A O no hydrogen 2.712 N/A LYS 37.A N LEU 76.A O no hydrogen 2.855 N/A LYS 37.A NZ GLU 50.A OE2 no hydrogen 3.125 N/A LYS 37.A NZ ASP 142.A OD1 no hydrogen 2.885 N/A ILE 38.A N THR 19.A O no hydrogen 2.823 N/A LEU 39.A N TRP 74.A O no hydrogen 3.224 N/A LYS 40.A N PHE 17.A O no hydrogen 2.903 N/A ASP 45.A N PRO 41.A O no hydrogen 2.976 N/A GLU 46.A N ALA 42.A O no hydrogen 3.043 N/A LEU 47.A N LEU 43.A O no hydrogen 3.001 N/A LEU 48.A N LYS 44.A O no hydrogen 2.909 N/A ALA 49.A N ASP 45.A O no hydrogen 2.919 N/A GLU 50.A N GLU 46.A O no hydrogen 3.020 N/A ALA 51.A N LEU 47.A O no hydrogen 2.892 N/A ASN 52.A N LEU 48.A O no hydrogen 2.881 N/A VAL 53.A N ALA 49.A O no hydrogen 2.978 N/A MET 54.A N GLU 50.A O no hydrogen 3.025 N/A GLN 55.A N ALA 51.A O no hydrogen 3.008 N/A GLN 56.A N VAL 53.A O no hydrogen 3.022 N/A GLN 56.A NE2 ASN 52.A O no hydrogen 2.926 N/A LEU 57.A N MET 54.A O no hydrogen 3.128 N/A ASP 58.A N TYR 114.A OH no hydrogen 2.950 N/A TYR 61.A N ASN 59.A OD1 no hydrogen 2.862 N/A ILE 62.A N ASN 59.A O no hydrogen 3.236 N/A VAL 63.A N ILE 140.A O no hydrogen 2.947 N/A ARG 64.A N GLU 79.A OE2 no hydrogen 2.762 N/A ARG 64.A NH2 ASP 58.A OD1 no hydrogen 2.744 N/A ILE 66.A N VAL 77.A O no hydrogen 2.716 N/A GLY 67.A N VAL 77.A O no hydrogen 3.219 N/A ILE 68.A N VAL 1.A O no hydrogen 2.792 N/A CYS 69.A N MET 75.A O no hydrogen 3.053 N/A CYS 69.A SG LEU 3.A O no hydrogen 3.678 N/A ALA 71.A N SER 73.A O no hydrogen 3.162 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.969 N/A SER 73.A OG LEU 39.A O no hydrogen 2.724 N/A MET 75.A N CYS 69.A O no hydrogen 2.807 N/A LEU 76.A N LYS 37.A O no hydrogen 2.832 N/A VAL 77.A N GLY 67.A O no hydrogen 2.823 N/A MET 78.A N ALA 35.A O no hydrogen 2.871 N/A GLU 79.A N ARG 64.A O no hydrogen 3.008 N/A LEU 83.A N LEU 132.A O no hydrogen 2.911 N/A GLY 84.A N ALA 81.A O no hydrogen 3.188 N/A LEU 86.A N VAL 130.A O no hydrogen 2.789 N/A TYR 89.A N PRO 85.A O no hydrogen 3.011 N/A TYR 89.A OH GLN 135.A OE1 no hydrogen 3.418 N/A LEU 90.A N LEU 86.A O no hydrogen 2.967 N/A GLN 91.A N ASN 87.A O no hydrogen 3.030 N/A GLN 91.A NE2 GLY 198.A O no hydrogen 2.921 N/A GLN 92.A N LYS 88.A O no hydrogen 3.213 N/A GLN 92.A N TYR 89.A O no hydrogen 3.174 N/A ASN 93.A N LEU 90.A O no hydrogen 3.223 N/A ASN 93.A ND2 TYR 89.A O no hydrogen 2.761 N/A VAL 96.A N ASN 93.A O no hydrogen 3.162 N/A ASN 100.A N THR 97.A OG1 no hydrogen 3.042 N/A ILE 101.A N THR 97.A O no hydrogen 2.999 N/A ILE 102.A N ASP 98.A O no hydrogen 2.904 N/A GLU 103.A N LYS 99.A O no hydrogen 3.008 N/A LEU 104.A N ASN 100.A O no hydrogen 3.145 N/A VAL 105.A N ILE 101.A O no hydrogen 2.922 N/A HIS 106.A N ILE 102.A O no hydrogen 2.841 N/A HIS 106.A NE2 GLU 252.A OE2 no hydrogen 2.771 N/A GLN 107.A N GLU 103.A O no hydrogen 3.067 N/A GLN 107.A NE2 HIS 136.A O no hydrogen 2.879 N/A VAL 108.A N LEU 104.A O no hydrogen 3.040 N/A SER 109.A N VAL 105.A O no hydrogen 2.942 N/A SER 109.A OG HIS 106.A O no hydrogen 2.649 N/A MET 110.A N HIS 106.A O no hydrogen 2.956 N/A GLY 111.A N GLN 107.A O no hydrogen 3.071 N/A MET 112.A N VAL 108.A O no hydrogen 2.867 N/A LYS 113.A N SER 109.A O no hydrogen 2.810 N/A TYR 114.A N MET 110.A O no hydrogen 3.126 N/A LEU 115.A N GLY 111.A O no hydrogen 2.925 N/A GLU 116.A N MET 112.A O no hydrogen 2.839 N/A GLU 117.A N LYS 113.A O no hydrogen 2.919 N/A SER 118.A N TYR 114.A O no hydrogen 2.926 N/A SER 118.A OG TYR 114.A O no hydrogen 2.874 N/A ASN 119.A N GLU 116.A O no hydrogen 2.928 N/A PHE 120.A N LEU 115.A O no hydrogen 3.120 N/A VAL 121.A N LYS 147.A O no hydrogen 2.960 N/A HIS 122.A N ASP 183.A OD2 no hydrogen 2.759 N/A HIS 122.A NE2 SER 141.A O.A no hydrogen 2.802 N/A HIS 122.A NE2 SER 141.A O.B no hydrogen 2.960 N/A ARG 123.A N ASP 183.A OD1 no hydrogen 3.063 N/A ARG 123.A NH1 LEU 145.A O no hydrogen 3.014 N/A ASP 124.A N HIS 122.A ND1 no hydrogen 2.941 N/A ALA 127.A N GLU 193.A OE1 no hydrogen 2.892 N/A ARG 128.A NH2 ASP 124.A OD1 no hydrogen 2.988 N/A ASN 129.A N ALA 126.A O no hydrogen 2.846 N/A ASN 129.A ND2 ASP 124.A O no hydrogen 2.747 N/A VAL 130.A N ALA 127.A O no hydrogen 3.210 N/A LEU 131.A N LYS 139.A O no hydrogen 2.797 N/A LEU 132.A N GLY 84.A O no hydrogen 2.838 N/A VAL 133.A N TYR 137.A O no hydrogen 2.867 N/A THR 134.A N TYR 137.A O no hydrogen 3.432 N/A HIS 136.A N THR 134.A OG1 no hydrogen 2.976 N/A HIS 136.A ND1 GLU 103.A OE1 no hydrogen 2.701 N/A TYR 137.A N THR 134.A O no hydrogen 3.184 N/A TYR 137.A OH PRO 60.A O no hydrogen 2.637 N/A ALA 138.A N GLN 107.A OE1 no hydrogen 2.824 N/A LYS 139.A N LEU 131.A O no hydrogen 2.832 N/A LYS 139.A NZ PRO 60.A O no hydrogen 3.343 N/A LYS 139.A NZ GLU 79.A OE1 no hydrogen 3.065 N/A LYS 139.A NZ GLU 79.A OE2 no hydrogen 2.841 N/A LYS 139.A NZ TYR 137.A OH no hydrogen 3.294 N/A ILE 140.A N TYR 61.A O no hydrogen 2.828 N/A SER 141.A N.A ASN 129.A O no hydrogen 2.868 N/A SER 141.A N.B ASN 129.A O no hydrogen 2.842 N/A SER 141.A OG.A ASN 129.A O no hydrogen 2.861 N/A SER 141.A OG.A ASP 142.A OD2 no hydrogen 2.583 N/A SER 141.A OG.B ASP 142.A OD2 no hydrogen 3.362 N/A ASP 142.A N SER 141.A OG.B no hydrogen 2.808 N/A SER 146.A N PHE 143.A O no hydrogen 3.056 N/A SER 146.A OG.A HIS 122.A O no hydrogen 2.911 N/A SER 146.A OG.A PHE 143.A O no hydrogen 3.396 N/A SER 146.A OG.B PHE 143.A O no hydrogen 2.627 N/A LYS 147.A N VAL 121.A O no hydrogen 2.979 N/A LEU 149.A N ASN 119.A O no hydrogen 2.873 N/A ARG 150.A NE ASP 152.A OD1 no hydrogen 2.856 N/A ARG 150.A NH1 ASP 152.A OD1 no hydrogen 3.336 N/A ARG 150.A NH1 ASP 152.A OD2 no hydrogen 2.905 N/A GLU 153.A N ARG 150.A O no hydrogen 3.304 N/A TYR 156.A N PHE 178.A O no hydrogen 2.779 N/A LYS 157.A NZ ALA 158.A O no hydrogen 3.360 N/A ALA 158.A N TYR 176.A O no hydrogen 2.957 N/A GLN 159.A NE2 LYS 157.A O no hydrogen 3.587 N/A VAL 165.A N TRP 163.A O no hydrogen 2.808 N/A LYS 166.A NZ TYR 202.A O no hydrogen 3.416 N/A LYS 166.A NZ MET 205.A O no hydrogen 2.809 N/A TRP 167.A N PRO 164.A O no hydrogen 2.938 N/A TRP 167.A NE1 GLU 193.A OE1 no hydrogen 2.891 N/A TYR 168.A N VAL 165.A O no hydrogen 3.019 N/A TYR 168.A OH ARG 123.A O no hydrogen 2.621 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.823 N/A CYS 172.A N ALA 169.A O no hydrogen 3.011 N/A CYS 172.A SG LYS 177.A O no hydrogen 3.635 N/A ILE 173.A N ALA 169.A O no hydrogen 3.331 N/A ASN 174.A N PRO 170.A O no hydrogen 2.750 N/A TYR 175.A N GLU 171.A O no hydrogen 2.852 N/A TYR 176.A N CYS 172.A O no hydrogen 3.064 N/A LYS 177.A N GLU 171.A O no hydrogen 3.315 N/A PHE 178.A N TYR 156.A O no hydrogen 2.822 N/A SER 179.A N SER 182.A OG.A no hydrogen 2.836 N/A SER 179.A N SER 182.A OG.B no hydrogen 2.965 N/A SER 179.A OG SER 182.A OG.B no hydrogen 3.201 N/A LYS 181.A NZ VAL 242.A O no hydrogen 3.474 N/A LYS 181.A NZ ARG 245.A O no hydrogen 2.825 N/A SER 182.A N SER 179.A OG no hydrogen 3.243 N/A SER 182.A OG.A SER 179.A O no hydrogen 2.732 N/A SER 182.A OG.B GLU 171.A OE2 no hydrogen 2.923 N/A SER 182.A OG.B LYS 177.A O no hydrogen 3.497 N/A SER 182.A OG.B SER 179.A OG no hydrogen 3.201 N/A ASP 183.A N SER 179.A O no hydrogen 3.188 N/A VAL 184.A N SER 180.A O no hydrogen 2.963 N/A TRP 185.A N LYS 181.A O no hydrogen 3.243 N/A SER 186.A N SER 182.A O no hydrogen 3.209 N/A SER 186.A OG TRP 167.A O no hydrogen 2.771 N/A SER 186.A OG SER 182.A O no hydrogen 3.363 N/A PHE 187.A N ASP 183.A O no hydrogen 2.853 N/A GLY 188.A N VAL 184.A O no hydrogen 3.024 N/A VAL 189.A N TRP 185.A O no hydrogen 3.240 N/A LEU 190.A N SER 186.A O no hydrogen 2.836 N/A MET 191.A N PHE 187.A O no hydrogen 2.838 N/A TRP 192.A N GLY 188.A O no hydrogen 3.032 N/A TRP 192.A NE1 GLY 221.A O no hydrogen 3.050 N/A GLU 193.A N VAL 189.A O no hydrogen 2.879 N/A ALA 194.A N LEU 190.A O no hydrogen 2.914 N/A PHE 195.A N MET 191.A O no hydrogen 2.963 N/A SER 196.A N TRP 192.A O no hydrogen 2.948 N/A SER 196.A N GLU 193.A O no hydrogen 3.178 N/A SER 196.A OG TRP 192.A O no hydrogen 2.847 N/A TYR 197.A N ALA 194.A O no hydrogen 3.109 N/A TYR 197.A OH VAL 96.A O no hydrogen 2.659 N/A GLY 198.A N GLU 193.A O no hydrogen 2.825 N/A GLN 199.A N SER 196.A O no hydrogen 3.251 N/A MET 205.A N TYR 202.A O no hydrogen 3.133 N/A LYS 206.A N GLU 209.A OE1 no hydrogen 2.836 N/A VAL 210.A N LYS 206.A O no hydrogen 3.058 N/A THR 211.A N GLY 207.A O no hydrogen 3.036 N/A THR 211.A OG1.A GLY 207.A O no hydrogen 3.386 N/A THR 211.A OG1.B GLY 207.A O no hydrogen 2.878 N/A THR 211.A OG1.B SER 208.A O no hydrogen 3.065 N/A ALA 212.A N SER 208.A O no hydrogen 3.053 N/A MET 213.A N GLU 209.A O no hydrogen 2.866 N/A LEU 214.A N VAL 210.A O no hydrogen 2.945 N/A GLU 215.A N THR 211.A O no hydrogen 2.982 N/A LYS 216.A N ALA 212.A O no hydrogen 3.208 N/A LYS 216.A N MET 213.A O no hydrogen 3.178 N/A GLY 217.A N LEU 214.A O no hydrogen 2.925 N/A GLU 218.A N MET 213.A O no hydrogen 3.150 N/A ARG 219.A NE TRP 238.A O no hydrogen 3.095 N/A ARG 219.A NH1 LEU 214.A O no hydrogen 3.080 N/A ARG 219.A NH1 GLU 218.A O no hydrogen 3.001 N/A ARG 219.A NH2 TRP 238.A O no hydrogen 3.026 N/A CYS 222.A SG PRO 223.A O no hydrogen 3.701 N/A CYS 222.A SG CYS 226.A O no hydrogen 3.718 N/A CYS 226.A N PRO 223.A O no hydrogen 2.972 N/A CYS 226.A SG PRO 227.A O no hydrogen 3.557 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.840 N/A MET 230.A N PRO 227.A O no hydrogen 2.987 N/A TYR 231.A N PRO 227.A O no hydrogen 3.086 N/A TYR 231.A OH MET 220.A O no hydrogen 2.643 N/A ASP 232.A N ARG 228.A O no hydrogen 2.859 N/A LEU 233.A N GLU 229.A O no hydrogen 3.109 N/A MET 234.A N MET 230.A O no hydrogen 2.989 N/A ASN 235.A N TYR 231.A O no hydrogen 2.994 N/A ASN 235.A ND2 TYR 231.A O no hydrogen 3.306 N/A LEU 236.A N ASP 232.A O no hydrogen 2.972 N/A CYS 237.A N LEU 233.A O no hydrogen 2.924 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.430 N/A TRP 238.A N MET 234.A O no hydrogen 2.993 N/A THR 239.A N LEU 236.A O no hydrogen 3.251 N/A THR 239.A OG1 LEU 236.A O no hydrogen 2.679 N/A ASN 244.A N ASP 241.A OD1 no hydrogen 3.016 N/A ARG 245.A N VAL 242.A O no hydrogen 3.188 N/A ARG 245.A NE THR 239.A O no hydrogen 2.831 N/A ARG 245.A NH1 GLU 171.A OE1 no hydrogen 3.526 N/A ARG 245.A NH1 GLU 171.A OE2 no hydrogen 2.755 N/A ARG 245.A NH1 LYS 181.A O no hydrogen 2.969 N/A ARG 245.A NH2 GLU 171.A OE1 no hydrogen 2.912 N/A ARG 245.A NH2 THR 239.A O no hydrogen 3.043 N/A ARG 245.A NH2 TYR 240.A O no hydrogen 3.137 N/A PHE 248.A N GLU 116.A OE2 no hydrogen 2.849 N/A ALA 249.A N GLU 116.A OE1 no hydrogen 3.374 N/A VAL 251.A N GLY 247.A O no hydrogen 3.151 N/A GLU 252.A N PHE 248.A O no hydrogen 2.806 N/A LEU 253.A N ALA 249.A O no hydrogen 3.108 N/A ARG 254.A N ALA 250.A O no hydrogen 3.172 N/A LEU 255.A N VAL 251.A O no hydrogen 3.039 N/A ARG 256.A N GLU 252.A O no hydrogen 2.810 N/A ARG 256.A NE GLU 252.A OE2 no hydrogen 3.180 N/A ARG 256.A NH2 GLU 252.A OE1 no hydrogen 2.787 N/A ASN 257.A N LEU 253.A O no hydrogen 3.041 N/A TYR 258.A N ARG 254.A O no hydrogen 3.086 N/A TYR 259.A N LEU 255.A O no hydrogen 2.840 N/A TYR 260.A N ARG 256.A O no hydrogen 2.984 N/A ASP 261.A N ASN 257.A O no hydrogen 3.086 N/A VAL 262.A N TYR 258.A O no hydrogen 2.992 N/A VAL 263.A N TYR 259.A O no hydrogen 2.852 N/A ASN 264.A N TYR 260.A O no hydrogen 2.946 N/A HIS 265.A N ASP 261.A O no hydrogen 3.059 N/A HIS 266.A N VAL 262.A O no hydrogen 2.969 N/A HIS 267.A N VAL 263.A O no hydrogen 3.149 N/A HIS 268.A N ASN 264.A O no hydrogen 3.157 N/A HIS 268.A N HIS 265.A O no hydrogen 3.093 N/A HIS 268.A ND1 ASN 264.A O no hydrogen 2.950 N/A