Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N GLN 43.A OE1 no hydrogen 2.929 N/A LEU 11.A N ASP 8.A OD2 no hydrogen 3.356 N/A THR 12.A N ASP 8.A O no hydrogen 2.941 N/A THR 12.A OG1 ASP 8.A O no hydrogen 3.341 N/A GLN 13.A N GLU 9.A O no hydrogen 2.925 N/A GLN 13.A NE2 GLU 9.A OE1 no hydrogen 3.034 N/A GLU 14.A N ASP 10.A O no hydrogen 3.233 N/A THR 15.A N LEU 11.A O no hydrogen 3.014 N/A THR 15.A N THR 12.A O no hydrogen 3.288 N/A THR 15.A OG1 LEU 11.A O no hydrogen 2.932 N/A ARG 16.A N THR 12.A O no hydrogen 2.899 N/A ARG 16.A NH1 PRO 3.A O no hydrogen 3.008 N/A ARG 16.A NH2 PRO 3.A O no hydrogen 3.082 N/A ARG 16.A NH2 ALA 4.A O no hydrogen 3.199 N/A ILE 19.A N THR 15.A O no hydrogen 2.993 N/A SER 20.A N ARG 16.A O no hydrogen 2.895 N/A SER 20.A OG ARG 16.A O no hydrogen 2.599 N/A SER 21.A N ALA 17.A O no hydrogen 3.186 N/A SER 21.A N LEU 18.A O no hydrogen 3.025 N/A SER 21.A OG LEU 18.A O no hydrogen 2.698 N/A LEU 22.A N ILE 19.A O no hydrogen 3.217 N/A GLU 25.A N ILE 33.A O no hydrogen 2.975 N/A GLY 27.A N SER 31.A O no hydrogen 2.974 N/A ILE 33.A N GLU 25.A O no hydrogen 2.985 N/A TYR 34.A N HIS 41.A O no hydrogen 2.896 N/A GLU 35.A N PRO 23.A O no hydrogen 2.914 N/A PHE 36.A N LEU 39.A O no hydrogen 2.897 N/A GLN 37.A NE2 SER 140.A OG no hydrogen 2.580 N/A LEU 39.A N PHE 36.A O no hydrogen 3.187 N/A TRP 40.A N GLY 191.A O no hydrogen 2.802 N/A HIS 41.A N TYR 34.A O no hydrogen 2.957 N/A GLN 43.A NE2 ALA 4.A O no hydrogen 2.768 N/A GLN 43.A NE2 GLN 47.A OE1 no hydrogen 2.944 N/A LEU 46.A N THR 42.A O no hydrogen 3.010 N/A GLN 47.A N GLN 43.A O no hydrogen 2.975 N/A GLN 47.A NE2 LEU 6.A O no hydrogen 2.998 N/A GLY 48.A N ALA 44.A O no hydrogen 3.122 N/A ILE 49.A N ILE 45.A O no hydrogen 2.794 N/A LEU 50.A N LEU 46.A O no hydrogen 2.938 N/A ILE 51.A N GLN 47.A O no hydrogen 3.141 N/A CYS 52.A N GLY 48.A O no hydrogen 2.917 N/A GLN 53.A N ILE 49.A O no hydrogen 2.888 N/A GLN 53.A NE2 SER 140.A O no hydrogen 2.817 N/A LYS 54.A N LEU 50.A O no hydrogen 3.373 N/A LYS 54.A NZ GLU 14.A OE1 no hydrogen 2.863 N/A ARG 55.A N ILE 51.A O no hydrogen 2.846 N/A ARG 55.A NH1 PRO 119.A O no hydrogen 3.048 N/A ARG 55.A NH1 ASP 120.A OD1 no hydrogen 2.811 N/A PHE 56.A N CYS 52.A O no hydrogen 2.946 N/A ALA 58.A N SER 144.A OG no hydrogen 3.063 N/A LYS 59.A N ASP 62.A OD2 no hydrogen 2.926 N/A ASP 62.A N LYS 59.A O no hydrogen 3.085 N/A ILE 63.A N ARG 130.A O no hydrogen 2.852 N/A ILE 64.A N LYS 151.A O no hydrogen 2.888 N/A LEU 65.A N MET 132.A O no hydrogen 2.717 N/A VAL 66.A N VAL 153.A O no hydrogen 2.833 N/A THR 67.A N THR 134.A O no hydrogen 3.006 N/A SER 71.A N ASN 68.A O no hydrogen 3.454 N/A SER 71.A OG ASN 68.A O no hydrogen 3.226 N/A SER 71.A OG ASN 68.A OD1 no hydrogen 2.981 N/A THR 73.A OG1 HIS 105.A NE2 no hydrogen 3.301 N/A LYS 77.A N THR 73.A O no hydrogen 2.917 N/A LYS 77.A NZ VAL 108.A O no hydrogen 2.922 N/A ALA 78.A N THR 74.A O no hydrogen 3.003 N/A LEU 79.A N TRP 75.A O no hydrogen 2.905 N/A VAL 80.A N LEU 76.A O no hydrogen 3.081 N/A PHE 81.A N LYS 77.A O no hydrogen 2.940 N/A ALA 82.A N ALA 78.A O no hydrogen 2.824 N/A LEU 83.A N LEU 79.A O no hydrogen 2.915 N/A LEU 84.A N VAL 80.A O no hydrogen 2.968 N/A ASN 85.A N PHE 81.A O no hydrogen 2.955 N/A ASN 85.A ND2 PHE 81.A O no hydrogen 3.016 N/A ARG 86.A NE GLU 243.A OE1 no hydrogen 2.912 N/A ARG 86.A NH1 GLU 235.A OE2.A no hydrogen 3.080 N/A ARG 86.A NH2 LEU 83.A O no hydrogen 2.645 N/A ARG 86.A NH2 GLU 235.A OE1.A no hydrogen 3.540 N/A ARG 86.A NH2 GLU 235.A OE1.B no hydrogen 2.765 N/A ARG 86.A NH2 GLU 235.A OE2.A no hydrogen 2.946 N/A PHE 89.A N ASN 85.A O no hydrogen 2.795 N/A SER 93.A N PRO 90.A O no hydrogen 3.060 N/A SER 94.A N VAL 91.A O no hydrogen 3.277 N/A SER 94.A OG SER 92.A O no hydrogen 3.075 N/A ASN 96.A N SER 93.A O no hydrogen 2.645 N/A HIS 97.A N SER 94.A O no hydrogen 2.963 N/A LEU 99.A N HIS 97.A ND1 no hydrogen 3.034 N/A LEU 100.A N HIS 97.A O no hydrogen 2.894 N/A VAL 101.A N HIS 97.A O no hydrogen 3.063 N/A THR 102.A N PRO 98.A O no hydrogen 2.964 N/A ASN 103.A ND2 HIS 105.A ND1 no hydrogen 2.999 N/A LEU 106.A N ASN 103.A O no hydrogen 3.003 N/A LEU 107.A N ASN 103.A O no hydrogen 3.133 N/A VAL 108.A N PRO 104.A O no hydrogen 2.835 N/A LEU 111.A N ASN 133.A O no hydrogen 2.839 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 2.813 N/A VAL 114.A N PHE 110.A O no hydrogen 2.919 N/A TYR 115.A N LEU 111.A O no hydrogen 2.932 N/A TYR 116.A N GLU 112.A O no hydrogen 3.031 N/A GLU 117.A N GLY 113.A O no hydrogen 3.205 N/A SER 118.A N VAL 114.A O no hydrogen 2.669 N/A PHE 121.A N SER 118.A O no hydrogen 2.955 N/A SER 124.A N ASP 122.A OD2 no hydrogen 3.067 N/A SER 124.A OG ASP 122.A OD1 no hydrogen 3.267 N/A SER 124.A OG ASP 122.A OD2 no hydrogen 2.784 N/A SER 125.A N ASP 122.A O no hydrogen 3.085 N/A SER 125.A OG ASP 122.A O no hydrogen 2.708 N/A LEU 126.A N PHE 123.A O no hydrogen 3.077 N/A ARG 130.A NE ASP 62.A OD1 no hydrogen 2.860 N/A ARG 130.A NH1 GLU 57.A O no hydrogen 3.080 N/A ARG 130.A NH1 ASP 62.A OD1 no hydrogen 3.260 N/A ARG 130.A NH1 ASP 62.A OD2 no hydrogen 2.958 N/A ARG 130.A NH2 PHE 123.A O no hydrogen 3.039 N/A MET 132.A N ILE 63.A O no hydrogen 2.989 N/A ASN 133.A N PRO 109.A O no hydrogen 2.953 N/A ASN 133.A ND2 LEU 65.A O no hydrogen 2.889 N/A ASN 133.A ND2 THR 67.A OG1 no hydrogen 3.051 N/A THR 134.A N LEU 65.A O no hydrogen 2.879 N/A THR 134.A OG1 GLU 112.A OE1 no hydrogen 2.551 N/A HIS 135.A N GLU 112.A OE2 no hydrogen 2.872 N/A ILE 136.A N THR 134.A OG1 no hydrogen 3.005 N/A LEU 139.A N SER 137.A OG no hydrogen 2.848 N/A SER 140.A N SER 137.A O no hydrogen 2.938 N/A SER 144.A OG PHE 56.A O no hydrogen 3.040 N/A LYS 146.A N PRO 142.A O no hydrogen 3.250 N/A LYS 146.A NZ LEU 139.A O no hydrogen 3.005 N/A LYS 146.A NZ GLU 143.A OE2 no hydrogen 3.001 N/A SER 147.A N GLU 143.A O no hydrogen 3.022 N/A SER 147.A OG GLU 143.A O no hydrogen 3.421 N/A SER 147.A OG SER 144.A O no hydrogen 3.250 N/A SER 148.A N VAL 145.A O no hydrogen 3.155 N/A SER 148.A OG VAL 145.A O no hydrogen 2.884 N/A SER 149.A N ASP 60.A OD2 no hydrogen 2.969 N/A CYS 150.A N SER 148.A OG no hydrogen 3.057 N/A CYS 150.A SG SER 148.A OG no hydrogen 3.111 N/A LYS 151.A N ASP 62.A O no hydrogen 2.999 N/A LYS 151.A NZ ASN 209.A O no hydrogen 2.869 N/A LYS 151.A NZ PHE 233.A O no hydrogen 2.749 N/A ILE 152.A N LYS 210.A O no hydrogen 2.860 N/A VAL 153.A N ILE 64.A O no hydrogen 2.935 N/A TYR 154.A N LEU 212.A O no hydrogen 2.823 N/A TYR 154.A OH HIS 196.A ND1 no hydrogen 3.144 N/A CYS 155.A N VAL 66.A O no hydrogen 2.965 N/A CYS 156.A N VAL 214.A O no hydrogen 2.848 N/A CYS 156.A SG ARG 157.A O no hydrogen 3.569 N/A ARG 157.A NH2 GLY 72.A O no hydrogen 2.874 N/A ASN 158.A N GLU 217.A OE1 no hydrogen 3.211 N/A LYS 160.A N ASN 158.A OD1 no hydrogen 2.716 N/A LYS 160.A NZ ASP 269.A OD1 no hydrogen 2.837 N/A LYS 160.A NZ ASP 269.A OD2 no hydrogen 3.355 N/A MET 162.A N ASN 158.A O no hydrogen 3.026 N/A PHE 163.A N PRO 159.A O no hydrogen 3.010 N/A VAL 164.A N LYS 160.A O no hydrogen 3.049 N/A SER 165.A N ASP 161.A O no hydrogen 2.921 N/A SER 165.A OG ASP 161.A O no hydrogen 3.057 N/A LEU 166.A N MET 162.A O no hydrogen 3.378 N/A TRP 167.A N PHE 163.A O no hydrogen 2.887 N/A HIS 168.A N VAL 164.A O no hydrogen 2.838 N/A PHE 169.A N SER 165.A O no hydrogen 3.182 N/A GLY 170.A N LEU 166.A O no hydrogen 3.037 N/A LYS 171.A N TRP 167.A O no hydrogen 2.873 N/A LYS 172.A N HIS 168.A O no hydrogen 3.383 N/A LEU 173.A N PHE 169.A O no hydrogen 3.412 N/A GLU 177.A N GLU 177.A OE2 no hydrogen 3.007 N/A LYS 178.A N PRO 175.A O no hydrogen 3.018 N/A ALA 179.A N PRO 175.A O no hydrogen 3.323 N/A VAL 180.A N ILE 176.A O no hydrogen 2.917 N/A GLU 181.A N GLU 177.A O no hydrogen 3.250 N/A ALA 182.A N LYS 178.A O no hydrogen 3.016 N/A PHE 183.A N ALA 179.A O no hydrogen 2.903 N/A CYS 184.A N VAL 180.A O no hydrogen 2.873 N/A CYS 184.A SG VAL 180.A O no hydrogen 3.376 N/A CYS 184.A SG GLU 267.A O no hydrogen 3.950 N/A GLU 185.A N GLU 181.A O no hydrogen 2.971 N/A GLY 186.A N PHE 183.A O no hydrogen 3.148 N/A LYS 187.A N ALA 182.A O no hydrogen 3.223 N/A GLY 190.A N TRP 40.A O no hydrogen 2.816 N/A GLY 191.A N PHE 188.A O no hydrogen 2.849 N/A ASP 195.A N PRO 192.A O no hydrogen 3.083 N/A HIS 196.A N PRO 192.A O no hydrogen 3.275 N/A HIS 196.A NE2 HIS 135.A O no hydrogen 2.777 N/A ILE 197.A N PHE 193.A O no hydrogen 3.321 N/A LEU 198.A N TRP 194.A O no hydrogen 2.820 N/A GLU 199.A N ASP 195.A O no hydrogen 3.122 N/A TYR 200.A OH ILE 136.A O no hydrogen 2.670 N/A TRP 201.A N ILE 197.A O no hydrogen 3.025 N/A TRP 201.A NE1 SER 279.A O no hydrogen 2.855 N/A TYR 202.A N LEU 198.A O no hydrogen 2.857 N/A ALA 203.A N GLU 199.A O no hydrogen 3.128 N/A SER 204.A N TYR 200.A O no hydrogen 2.933 N/A SER 204.A OG TYR 200.A O no hydrogen 3.561 N/A SER 204.A OG TRP 201.A O no hydrogen 2.584 N/A ARG 205.A N TRP 201.A O no hydrogen 3.298 N/A ARG 205.A N TYR 202.A O no hydrogen 3.069 N/A GLU 206.A N TYR 202.A O no hydrogen 2.844 N/A ASN 207.A N ALA 203.A O no hydrogen 2.707 N/A LYS 210.A N ASN 207.A O no hydrogen 2.867 N/A LYS 210.A NZ VAL 145.A O no hydrogen 2.896 N/A LYS 210.A NZ SER 148.A O no hydrogen 3.187 N/A VAL 211.A N ASN 207.A O no hydrogen 3.107 N/A LEU 212.A N ILE 152.A O no hydrogen 2.885 N/A VAL 214.A N TYR 154.A O no hydrogen 2.875 N/A TYR 216.A N CYS 156.A O no hydrogen 2.924 N/A GLU 218.A N THR 215.A OG1 no hydrogen 3.111 N/A LEU 219.A N THR 215.A O no hydrogen 3.037 N/A LYS 220.A N TYR 216.A O no hydrogen 2.785 N/A LYS 221.A N GLU 217.A O no hydrogen 2.955 N/A GLN 222.A N GLU 218.A O no hydrogen 2.901 N/A THR 223.A OG1 LEU 219.A O no hydrogen 2.609 N/A THR 223.A OG1 LYS 220.A O no hydrogen 3.193 N/A GLU 226.A N GLN 222.A O no hydrogen 2.912 N/A MET 227.A N THR 223.A O no hydrogen 2.787 N/A LYS 228.A N GLU 224.A O no hydrogen 3.074 N/A ARG 229.A N VAL 225.A O no hydrogen 3.017 N/A ARG 229.A NH1 PHE 213.A O no hydrogen 3.039 N/A ARG 229.A NH1 GLU 226.A OE2 no hydrogen 3.269 N/A ARG 229.A NH2 PHE 213.A O no hydrogen 3.220 N/A ILE 230.A N GLU 226.A O no hydrogen 2.847 N/A ALA 231.A N MET 227.A O no hydrogen 2.901 N/A GLU 232.A N LYS 228.A O no hydrogen 3.002 N/A PHE 233.A N ARG 229.A O no hydrogen 3.215 N/A LEU 234.A N ILE 230.A O no hydrogen 2.891 N/A GLU 235.A N ALA 231.A O no hydrogen 2.861 N/A GLU 240.A N GLU 243.A OE2 no hydrogen 2.877 N/A VAL 244.A N GLU 240.A O no hydrogen 3.245 N/A ARG 245.A N GLU 241.A O no hydrogen 2.986 N/A ARG 245.A NE GLU 242.A OE1 no hydrogen 2.979 N/A ARG 245.A NE GLU 242.A OE2 no hydrogen 2.978 N/A ARG 245.A NH1 GLU 241.A OE1 no hydrogen 3.157 N/A ARG 245.A NH1 GLU 242.A OE1 no hydrogen 3.305 N/A ARG 245.A NH2 GLU 224.A OE1 no hydrogen 3.492 N/A GLU 246.A N GLU 242.A O no hydrogen 2.968 N/A ILE 247.A N GLU 243.A O no hydrogen 3.092 N/A VAL 248.A N VAL 244.A O no hydrogen 3.017 N/A LYS 249.A N ARG 245.A O no hydrogen 2.868 N/A LEU 250.A N GLU 246.A O no hydrogen 2.917 N/A CYS 251.A N ILE 247.A O no hydrogen 3.046 N/A CYS 251.A SG ILE 247.A O no hydrogen 3.424 N/A SER 252.A N LYS 249.A O no hydrogen 3.189 N/A SER 252.A OG LYS 249.A O no hydrogen 2.863 N/A GLU 254.A N CYS 251.A O no hydrogen 3.073 N/A TRP 256.A N ASP 161.A OD1 no hydrogen 2.871 N/A ASP 258.A N GLY 255.A O no hydrogen 3.067 N/A THR 259.A N TRP 256.A O no hydrogen 3.047 N/A THR 259.A OG1 HIS 168.A NE2 no hydrogen 3.074 N/A LEU 260.A N TRP 256.A O no hydrogen 2.925 N/A LEU 264.A N SER 261.A OG no hydrogen 3.329 N/A ALA 265.A N SER 261.A O no hydrogen 3.146 N/A GLU 266.A N GLU 262.A O no hydrogen 3.024 N/A GLU 267.A N SER 263.A O no hydrogen 2.960 N/A ILE 268.A N LEU 264.A O no hydrogen 2.998 N/A ASP 269.A N ALA 265.A O no hydrogen 2.898 N/A ARG 270.A N GLU 266.A O no hydrogen 2.937 N/A ARG 270.A N GLU 267.A O no hydrogen 3.116 N/A THR 271.A N GLU 267.A O no hydrogen 3.386 N/A ILE 272.A N ILE 268.A O no hydrogen 2.916 N/A GLU 273.A N ASP 269.A O no hydrogen 2.983 N/A GLU 274.A N ARG 270.A O no hydrogen 3.155 N/A LYS 275.A N THR 271.A O no hydrogen 2.844 N/A PHE 276.A N ILE 272.A O no hydrogen 2.871 N/A SER 279.A N PHE 276.A O no hydrogen 2.939 N/A SER 279.A OG PHE 276.A O no hydrogen 2.627 N/A LEU 281.A N SER 279.A OG no hydrogen 2.935 N/A