Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5oo3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ARG 21.A O no hydrogen 2.732 N/A VAL 6.A N LYS 19.A O no hydrogen 2.737 N/A GLU 7.A N LYS 19.A O no hydrogen 3.463 N/A LYS 8.A NZ GLU 11.A OE2 no hydrogen 2.495 N/A ILE 9.A N VAL 17.A O no hydrogen 2.835 N/A GLY 10.A N VAL 17.A O no hydrogen 3.231 N/A GLY 12.A N GLY 15.A O no hydrogen 2.956 N/A TYR 14.A OH GLY 145.A O no hydrogen 2.725 N/A VAL 17.A N GLY 10.A O no hydrogen 2.889 N/A TYR 18.A N LEU 31.A O no hydrogen 2.829 N/A LYS 19.A N GLU 7.A O no hydrogen 2.835 N/A ALA 20.A N VAL 29.A O no hydrogen 3.005 N/A ARG 21.A N GLN 4.A O no hydrogen 2.764 N/A ASN 22.A N GLU 27.A O no hydrogen 2.813 N/A LYS 23.A N ASN 2.A O no hydrogen 3.108 N/A LEU 24.A N ASN 22.A OD1 no hydrogen 3.080 N/A THR 25.A N ASN 22.A O no hydrogen 3.215 N/A THR 25.A N ASN 22.A OD1 no hydrogen 3.082 N/A GLY 26.A N ASN 22.A O no hydrogen 2.768 N/A GLU 27.A N THR 25.A OG1 no hydrogen 3.337 N/A VAL 28.A N GLU 27.A OE2 no hydrogen 2.894 N/A VAL 29.A N ALA 20.A O no hydrogen 2.837 N/A ALA 30.A N CYS 72.A O no hydrogen 2.927 N/A LEU 31.A N TYR 18.A O no hydrogen 2.749 N/A LYS 32.A N LEU 70.A O no hydrogen 2.891 N/A LYS 32.A NZ ASP 137.A OD2 no hydrogen 2.552 N/A LYS 33.A N VAL 16.A O no hydrogen 2.844 N/A ILE 34.A N LEU 68.A O no hydrogen 2.716 N/A LEU 36.A N ASN 66.A O no hydrogen 3.136 N/A THR 39.A OG1 GLU 43.A OE1.B no hydrogen 2.601 N/A THR 39.A OG1 GLU 43.A OE2.B no hydrogen 2.729 N/A ARG 42.A NE GLU 43.A OE2.A no hydrogen 3.136 N/A GLU 43.A N.A THR 39.A O no hydrogen 2.990 N/A GLU 43.A N.B THR 39.A O no hydrogen 2.995 N/A ILE 44.A N ALA 40.A O no hydrogen 2.895 N/A SER 45.A N ILE 41.A O no hydrogen 2.966 N/A SER 45.A OG ILE 41.A O no hydrogen 2.662 N/A LEU 46.A N ARG 42.A O no hydrogen 3.081 N/A LEU 47.A N ILE 44.A O no hydrogen 3.085 N/A LYS 48.A N SER 45.A O no hydrogen 3.111 N/A GLU 49.A N LEU 46.A O no hydrogen 3.207 N/A LEU 50.A N LEU 47.A O no hydrogen 3.090 N/A ASN 51.A N GLU 49.A O no hydrogen 3.034 N/A ASN 51.A ND2 LYS 48.A O no hydrogen 3.344 N/A ASN 54.A N HIS 52.A ND1 no hydrogen 2.920 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.202 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 3.012 N/A ILE 55.A N HIS 52.A O no hydrogen 3.085 N/A VAL 56.A N LEU 135.A O no hydrogen 2.942 N/A LYS 57.A N GLU 73.A OE2 no hydrogen 2.700 N/A LYS 57.A NZ ASN 51.A OD1 no hydrogen 3.340 N/A LEU 59.A N VAL 71.A O no hydrogen 2.649 N/A ASP 60.A N VAL 71.A O no hydrogen 3.160 N/A ILE 62.A N TYR 69.A O no hydrogen 2.826 N/A THR 64.A N LYS 67.A O no hydrogen 3.128 N/A LYS 67.A N THR 64.A O no hydrogen 3.116 N/A LEU 68.A N ILE 34.A O no hydrogen 2.830 N/A TYR 69.A N ILE 62.A O no hydrogen 2.772 N/A LEU 70.A N LYS 32.A O no hydrogen 2.893 N/A VAL 71.A N ASP 60.A O no hydrogen 2.935 N/A CYS 72.A N ALA 30.A O no hydrogen 2.755 N/A GLU 73.A N LYS 57.A O no hydrogen 3.059 N/A LEU 79.A N LEU 125.A O no hydrogen 2.791 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.972 N/A LYS 81.A NZ ASP 78.A OD2 no hydrogen 2.867 N/A PHE 82.A N ASP 78.A O no hydrogen 3.098 N/A MET 83.A N LEU 79.A O no hydrogen 2.754 N/A ASP 84.A N LYS 80.A O no hydrogen 2.900 N/A ALA 85.A N LYS 81.A O no hydrogen 2.867 N/A SER 86.A N MET 83.A O no hydrogen 3.119 N/A SER 86.A OG PHE 82.A O no hydrogen 2.850 N/A ALA 87.A N ASP 84.A O no hydrogen 3.192 N/A THR 89.A N SER 86.A O no hydrogen 3.247 N/A GLY 90.A N SER 86.A O no hydrogen 2.547 N/A ILE 96.A N PRO 92.A O no hydrogen 2.931 N/A LYS 97.A N LEU 93.A O no hydrogen 2.860 N/A LYS 97.A NZ PHE 277.A O no hydrogen 2.949 N/A LYS 97.A NZ ASP 280.A OD1 no hydrogen 2.515 N/A SER 98.A N PRO 94.A O no hydrogen 3.049 N/A TYR 99.A N LEU 95.A O no hydrogen 2.862 N/A LEU 100.A N ILE 96.A O no hydrogen 2.860 N/A PHE 101.A N LYS 97.A O no hydrogen 2.916 N/A GLN 102.A N SER 98.A O no hydrogen 2.917 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.478 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 2.821 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 2.900 N/A LEU 103.A N TYR 99.A O no hydrogen 2.865 N/A LEU 104.A N LEU 100.A O no hydrogen 2.901 N/A GLN 105.A N PHE 101.A O no hydrogen 3.072 N/A GLN 105.A NE2 PHE 101.A O no hydrogen 3.448 N/A GLY 106.A N GLN 102.A O no hydrogen 3.102 N/A LEU 107.A N LEU 103.A O no hydrogen 2.993 N/A ALA 108.A N LEU 104.A O no hydrogen 2.788 N/A PHE 109.A N GLN 105.A O no hydrogen 3.054 N/A CYS 110.A N GLY 106.A O no hydrogen 3.113 N/A CYS 110.A SG GLY 106.A O no hydrogen 3.718 N/A HIS 111.A N LEU 107.A O no hydrogen 2.752 N/A HIS 111.A NE2 ASP 177.A OD2 no hydrogen 2.926 N/A SER 112.A N ALA 108.A O no hydrogen 2.893 N/A SER 112.A OG ALA 108.A O no hydrogen 3.535 N/A SER 112.A OG PHE 109.A O no hydrogen 2.827 N/A HIS 113.A N PHE 109.A O no hydrogen 3.289 N/A HIS 113.A N CYS 110.A O no hydrogen 2.977 N/A HIS 113.A ND1 PHE 109.A O no hydrogen 3.107 N/A ARG 114.A N HIS 111.A O no hydrogen 2.848 N/A ARG 114.A NH1 HIS 111.A O no hydrogen 3.023 N/A VAL 115.A N CYS 110.A O no hydrogen 2.876 N/A HIS 117.A N ASP 177.A OD2 no hydrogen 2.792 N/A HIS 117.A NE2 ALA 136.A O no hydrogen 2.779 N/A ARG 118.A N ASP 177.A OD1 no hydrogen 2.796 N/A ASP 119.A N HIS 117.A ND1 no hydrogen 2.994 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 2.918 N/A ASN 124.A N LYS 121.A O no hydrogen 2.925 N/A LEU 125.A N PRO 122.A O no hydrogen 3.168 N/A LEU 126.A N LYS 134.A O no hydrogen 2.884 N/A ILE 127.A N GLN 77.A O no hydrogen 2.909 N/A ASN 128.A N ALA 132.A O no hydrogen 3.337 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 3.057 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 3.024 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.184 N/A LYS 134.A N LEU 126.A O no hydrogen 2.783 N/A LYS 134.A NZ PRO 53.A O no hydrogen 3.513 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.266 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 3.235 N/A LEU 135.A N ASN 54.A O no hydrogen 2.905 N/A ALA 136.A N ASN 124.A O no hydrogen 2.805 N/A LEU 140.A N ASP 137.A O no hydrogen 3.372 N/A ALA 143.A N GLY 139.A O no hydrogen 2.968 N/A PHE 144.A N LEU 140.A O no hydrogen 2.877 N/A GLY 145.A N ALA 141.A O no hydrogen 2.720 N/A THR 150.A N GLU 154.A O no hydrogen 2.806 N/A THR 150.A OG1 THR 152.A OG1 no hydrogen 3.005 N/A TYR 151.A N THR 13.A O no hydrogen 3.063 N/A THR 152.A N THR 150.A OG1 no hydrogen 3.168 N/A THR 152.A OG1 THR 150.A OG1 no hydrogen 3.005 N/A THR 152.A OG1 GLU 154.A OE1 no hydrogen 3.410 N/A HIS 153.A N THR 150.A O no hydrogen 2.805 N/A GLU 154.A N THR 150.A OG1 no hydrogen 3.363 N/A VAL 156.A N VAL 148.A O no hydrogen 3.077 N/A TRP 159.A N THR 157.A OG1 no hydrogen 3.245 N/A TYR 160.A OH GLU 187.A OE1 no hydrogen 2.592 N/A TYR 160.A OH GLU 187.A OE2 no hydrogen 3.377 N/A ARG 161.A N LEU 158.A O no hydrogen 3.099 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.695 N/A ILE 165.A N ALA 162.A O no hydrogen 3.086 N/A LEU 166.A N ALA 162.A O no hydrogen 3.254 N/A LEU 167.A N PRO 163.A O no hydrogen 2.839 N/A GLY 168.A N ILE 165.A O no hydrogen 3.044 N/A ALA 169.A N GLU 164.A O no hydrogen 2.943 N/A ALA 175.A N SER 173.A OG no hydrogen 3.205 N/A VAL 176.A N SER 173.A O no hydrogen 2.975 N/A ASP 177.A N THR 174.A O no hydrogen 3.104 N/A TRP 179.A N ALA 175.A O no hydrogen 3.066 N/A SER 180.A N VAL 176.A O no hydrogen 3.197 N/A SER 180.A OG TYR 160.A O no hydrogen 2.704 N/A SER 180.A OG VAL 176.A O no hydrogen 3.223 N/A LEU 181.A N ASP 177.A O no hydrogen 2.999 N/A GLY 182.A N ILE 178.A O no hydrogen 2.889 N/A CYS 183.A N TRP 179.A O no hydrogen 2.989 N/A CYS 183.A SG TRP 179.A O no hydrogen 3.570 N/A ILE 184.A N SER 180.A O no hydrogen 3.002 N/A PHE 185.A N LEU 181.A O no hydrogen 2.815 N/A ALA 186.A N GLY 182.A O no hydrogen 3.006 N/A GLU 187.A N CYS 183.A O no hydrogen 3.044 N/A MET 188.A N ILE 184.A O no hydrogen 2.873 N/A VAL 189.A N PHE 185.A O no hydrogen 3.189 N/A THR 190.A N ALA 186.A O no hydrogen 2.932 N/A THR 190.A OG1 ALA 186.A O no hydrogen 3.030 N/A ARG 191.A N GLU 187.A O no hydrogen 2.892 N/A ARG 191.A NH1 ALA 87.A O no hydrogen 3.216 N/A ARG 192.A N THR 190.A OG1 no hydrogen 3.375 N/A GLY 197.A N PHE 195.A O no hydrogen 2.966 N/A GLY 197.A N GLN 203.A OE1 no hydrogen 2.977 N/A ASP 198.A N ASP 202.A OD2 no hydrogen 3.062 N/A ASP 202.A N SER 199.A OG no hydrogen 2.986 N/A GLN 203.A N SER 199.A O no hydrogen 2.820 N/A GLN 203.A NE2 TRP 159.A O no hydrogen 3.252 N/A GLN 203.A NE2 PHE 195.A O no hydrogen 2.910 N/A LEU 204.A N GLU 200.A O no hydrogen 2.988 N/A PHE 205.A N ILE 201.A O no hydrogen 2.951 N/A ARG 206.A N ASP 202.A O no hydrogen 2.922 N/A ARG 206.A NE ASP 202.A OD2 no hydrogen 2.968 N/A ILE 207.A N GLN 203.A O no hydrogen 3.056 N/A PHE 208.A N LEU 204.A O no hydrogen 2.889 N/A ARG 209.A N PHE 205.A O no hydrogen 2.864 N/A THR 210.A N ARG 206.A O no hydrogen 3.317 N/A THR 210.A N ILE 207.A O no hydrogen 3.214 N/A THR 210.A OG1 ARG 206.A O no hydrogen 3.450 N/A LEU 211.A N ILE 207.A O no hydrogen 2.802 N/A GLY 212.A N PHE 208.A O no hydrogen 2.737 N/A THR 213.A N TRP 235.A O no hydrogen 3.007 N/A THR 213.A OG1 PRO 233.A O no hydrogen 2.701 N/A VAL 217.A N ASP 215.A OD1 no hydrogen 3.140 N/A VAL 218.A N ASP 215.A OD1 no hydrogen 3.144 N/A TRP 219.A N ASP 215.A O no hydrogen 2.911 N/A GLY 221.A N GLU 216.A OE1 no hydrogen 2.702 N/A VAL 222.A N TRP 219.A O no hydrogen 2.933 N/A THR 223.A N GLU 216.A OE2 no hydrogen 2.995 N/A THR 223.A OG1 GLU 216.A OE2 no hydrogen 2.647 N/A SER 224.A N GLY 221.A O no hydrogen 2.962 N/A MET 225.A N VAL 222.A O no hydrogen 3.185 N/A ASP 227.A N LEU 167.A O no hydrogen 2.889 N/A TYR 228.A N MET 225.A O no hydrogen 3.121 N/A PHE 232.A N LYS 229.A O no hydrogen 2.969 N/A TRP 235.A N THR 213.A OG1 no hydrogen 2.825 N/A ARG 237.A NH1 LEU 211.A O no hydrogen 2.979 N/A GLN 238.A N THR 210.A O no hydrogen 2.832 N/A SER 241.A N ASP 239.A OD1 no hydrogen 3.158 N/A SER 241.A OG ASP 239.A OD1 no hydrogen 3.202 N/A LYS 242.A N ASP 239.A O no hydrogen 2.894 N/A VAL 243.A N PHE 240.A O no hydrogen 3.148 N/A VAL 244.A N PHE 240.A O no hydrogen 3.274 N/A LEU 247.A N VAL 244.A O no hydrogen 2.864 N/A GLY 251.A N ASP 248.A OD1 no hydrogen 2.972 N/A ARG 252.A N ASP 248.A O no hydrogen 3.101 N/A ARG 252.A NH2 LEU 247.A O no hydrogen 3.338 N/A SER 253.A N GLU 249.A O no hydrogen 2.901 N/A SER 253.A OG HIS 275.A NE2 no hydrogen 3.137 N/A LEU 254.A N ASP 250.A O no hydrogen 2.875 N/A LEU 255.A N GLY 251.A O no hydrogen 2.810 N/A SER 256.A N ARG 252.A O no hydrogen 2.905 N/A SER 256.A OG ARG 252.A O no hydrogen 3.291 N/A SER 256.A OG SER 253.A O no hydrogen 2.869 N/A GLN 257.A N SER 253.A O no hydrogen 3.192 N/A GLN 257.A NE2 SER 253.A O no hydrogen 3.225 N/A GLN 257.A NE2 SER 253.A OG no hydrogen 2.992 N/A MET 258.A N LEU 254.A O no hydrogen 2.948 N/A LEU 259.A N SER 256.A O no hydrogen 3.264 N/A TYR 261.A OH GLY 212.A O no hydrogen 2.610 N/A ASN 264.A N ASP 262.A OD1 no hydrogen 3.077 N/A LYS 265.A N ASP 262.A O no hydrogen 2.801 N/A LYS 265.A NZ VAL 218.A O no hydrogen 2.790 N/A LYS 265.A NZ ASP 262.A OD2 no hydrogen 3.520 N/A ARG 266.A N ASP 262.A O no hydrogen 3.017 N/A ARG 266.A NE HIS 260.A O no hydrogen 2.872 N/A ARG 266.A NH1 GLU 164.A OE1 no hydrogen 3.449 N/A ARG 266.A NH1 GLU 164.A OE2 no hydrogen 2.852 N/A ARG 266.A NH1 ALA 175.A O no hydrogen 2.934 N/A ARG 266.A NH2 GLU 164.A OE1 no hydrogen 2.893 N/A ARG 266.A NH2 HIS 260.A O no hydrogen 3.168 N/A ARG 266.A NH2 TYR 261.A O no hydrogen 2.953 N/A ILE 267.A N GLN 257.A O no hydrogen 3.091 N/A ALA 271.A N SER 268.A OG no hydrogen 3.084 N/A ALA 272.A N SER 268.A O no hydrogen 2.902 N/A LEU 273.A N ALA 269.A O no hydrogen 3.017 N/A LEU 273.A N LYS 270.A O no hydrogen 3.220 N/A ALA 274.A N ALA 271.A O no hydrogen 3.228 N/A HIS 275.A N ALA 272.A O no hydrogen 2.892 N/A HIS 275.A NE2 SER 253.A OG no hydrogen 3.137 N/A PHE 277.A N HIS 275.A ND1 no hydrogen 2.930 N/A PHE 278.A N HIS 275.A O no hydrogen 2.984 N/A GLN 279.A N PRO 276.A O no hydrogen 3.026 N/A VAL 281.A N PHE 278.A O no hydrogen 3.127 N/A