Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r1n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N VAL 71.A O no hydrogen 2.807 N/A LYS 3.A NZ ASP 70.A OD1 no hydrogen 2.964 N/A TYR 5.A OH ASP 10.A OD2 no hydrogen 2.615 N/A ASP 9.A N ALA 6.A O no hydrogen 2.996 N/A ASP 10.A N VAL 7.A O no hydrogen 2.929 N/A TYR 11.A N VAL 7.A O no hydrogen 2.861 N/A TYR 11.A OH ASP 70.A OD2 no hydrogen 2.836 N/A GLN 12.A N PHE 30.A O no hydrogen 2.796 N/A SER 14.A N GLU 28.A O no hydrogen 3.210 N/A SER 14.A OG GLU 28.A OE1 no hydrogen 3.140 N/A LEU 18.A N VAL 26.A O no hydrogen 2.748 N/A GLY 21.A N GLY 24.A O no hydrogen 2.706 N/A ASN 23.A ND2 GLU 52.A OE2 no hydrogen 2.889 N/A VAL 26.A N GLY 19.A O no hydrogen 2.664 N/A LEU 27.A N LEU 40.A O no hydrogen 2.734 N/A GLU 28.A N GLN 16.A O no hydrogen 3.202 N/A CYS 29.A N CYS 38.A O no hydrogen 2.924 N/A PHE 30.A N GLN 12.A O no hydrogen 2.902 N/A HIS 31.A N GLN 36.A O no hydrogen 2.730 N/A ARG 32.A N ASP 10.A O no hydrogen 2.732 N/A ARG 32.A NH2 TYR 11.A O no hydrogen 3.273 N/A ARG 33.A N HIS 31.A ND1 no hydrogen 3.027 N/A THR 34.A N HIS 31.A ND1 no hydrogen 3.248 N/A GLN 36.A N THR 34.A OG1 no hydrogen 3.227 N/A CYS 38.A N CYS 29.A O no hydrogen 2.789 N/A CYS 38.A SG GLN 36.A O no hydrogen 3.647 N/A CYS 38.A SG GLN 36.A OE1 no hydrogen 3.912 N/A ALA 39.A N MET 86.A O no hydrogen 3.078 N/A LEU 40.A N LEU 27.A O no hydrogen 2.617 N/A LYS 41.A N ILE 84.A O no hydrogen 2.775 N/A LYS 41.A NZ GLU 52.A OE1 no hydrogen 2.828 N/A LEU 42.A N LYS 25.A O no hydrogen 3.013 N/A LEU 43.A N LEU 82.A O no hydrogen 2.827 N/A ASP 45.A N ARG 80.A O no hydrogen 2.968 N/A SER 46.A N ASP 45.A OD1 no hydrogen 2.814 N/A ALA 49.A N SER 46.A OG no hydrogen 3.079 N/A ARG 50.A N SER 46.A O no hydrogen 2.947 N/A ARG 50.A NH1 ASP 45.A OD1 no hydrogen 3.281 N/A ARG 50.A NH2 GLU 73.A OE1 no hydrogen 3.240 N/A GLN 51.A N PRO 47.A O no hydrogen 3.095 N/A GLN 51.A NE2 PRO 47.A O no hydrogen 3.455 N/A GLU 52.A N LYS 48.A O no hydrogen 2.785 N/A VAL 53.A N ALA 49.A O no hydrogen 3.013 N/A ASP 54.A N ARG 50.A O no hydrogen 3.023 N/A HIS 55.A N GLN 51.A O no hydrogen 2.779 N/A HIS 56.A N GLU 52.A O no hydrogen 2.961 N/A HIS 56.A NE2 VAL 66.A O no hydrogen 2.735 N/A TRP 57.A N VAL 53.A O no hydrogen 2.813 N/A GLN 58.A N ASP 54.A O no hydrogen 3.085 N/A ALA 59.A N HIS 55.A O no hydrogen 3.118 N/A SER 60.A N HIS 56.A O no hydrogen 2.804 N/A SER 60.A N TRP 57.A O no hydrogen 3.305 N/A GLY 62.A N ALA 59.A O no hydrogen 2.954 N/A HIS 64.A ND1 LEU 149.A O no hydrogen 2.670 N/A VAL 66.A N LEU 151.A O no hydrogen 2.903 N/A CYS 67.A N GLU 87.A OE1 no hydrogen 3.012 N/A CYS 67.A SG SER 60.A O no hydrogen 3.607 N/A CYS 67.A SG ILE 65.A O no hydrogen 4.038 N/A CYS 67.A SG GLU 87.A OE1 no hydrogen 3.659 N/A ILE 68.A N SER 60.A OG no hydrogen 3.005 N/A LEU 69.A N ILE 85.A O no hydrogen 2.732 N/A TYR 72.A N LEU 83.A O no hydrogen 2.934 N/A TYR 72.A OH ASP 10.A OD2 no hydrogen 2.595 N/A GLU 73.A N LYS 3.A O no hydrogen 2.765 N/A ASN 74.A N CYS 81.A O no hydrogen 3.078 N/A HIS 76.A N LYS 79.A O no hydrogen 2.791 N/A LYS 79.A N HIS 76.A O no hydrogen 3.039 N/A ARG 80.A NE GLU 73.A OE2 no hydrogen 2.631 N/A ARG 80.A NH2 GLU 73.A OE2 no hydrogen 3.320 N/A CYS 81.A N ASN 74.A O no hydrogen 2.981 N/A CYS 81.A SG LYS 79.A O no hydrogen 3.780 N/A LEU 82.A N LEU 43.A O no hydrogen 2.662 N/A LEU 83.A N TYR 72.A O no hydrogen 2.896 N/A ILE 84.A N LYS 41.A O no hydrogen 3.056 N/A ILE 85.A N ASP 70.A O no hydrogen 2.977 N/A MET 86.A N ALA 39.A O no hydrogen 2.948 N/A GLU 87.A N CYS 67.A O no hydrogen 3.132 N/A GLU 90.A N THR 141.A O no hydrogen 3.266 N/A GLY 91.A N TYR 140.A O no hydrogen 2.931 N/A GLY 92.A N MET 89.A O no hydrogen 3.130 N/A LEU 94.A N LEU 138.A O no hydrogen 2.854 N/A SER 96.A N GLU 93.A O no hydrogen 3.061 N/A ARG 97.A N GLU 93.A O no hydrogen 3.248 N/A ARG 97.A NH2.B SER 142.A O no hydrogen 2.835 N/A ILE 98.A N LEU 94.A O no hydrogen 3.319 N/A GLN 99.A N PHE 95.A O no hydrogen 3.267 N/A GLU 100.A N SER 96.A O no hydrogen 3.096 N/A ARG 101.A NH1 ALA 103.A O no hydrogen 3.316 N/A ARG 101.A NH1 GLU 108.A OE1 no hydrogen 2.898 N/A THR 105.A OG1 THR 239.A O no hydrogen 3.211 N/A GLU 106.A N THR 239.A O no hydrogen 3.172 N/A ARG 107.A N THR 105.A OG1 no hydrogen 3.395 N/A ARG 107.A NH1 MET 234.A O no hydrogen 2.692 N/A ALA 109.A N THR 105.A O no hydrogen 3.049 N/A ALA 110.A N GLU 106.A O no hydrogen 3.121 N/A GLU 111.A N ARG 107.A O no hydrogen 2.951 N/A ILE 112.A N GLU 108.A O no hydrogen 3.001 N/A MET 113.A N ALA 109.A O no hydrogen 2.959 N/A ARG 114.A N ALA 110.A O no hydrogen 2.900 N/A ARG 114.A NH1 SER 233.A OG no hydrogen 3.300 N/A ASP 115.A N GLU 111.A O no hydrogen 3.142 N/A ASP 115.A N ILE 112.A O no hydrogen 3.106 N/A ILE 116.A N ILE 112.A O no hydrogen 3.126 N/A GLY 117.A N MET 113.A O no hydrogen 2.709 N/A THR 118.A N ARG 114.A O no hydrogen 3.074 N/A THR 118.A N ASP 115.A O no hydrogen 3.167 N/A THR 118.A OG1 ASP 115.A O no hydrogen 2.677 N/A ALA 119.A N ASP 115.A O no hydrogen 3.239 N/A ILE 120.A N ILE 116.A O no hydrogen 3.027 N/A GLN 121.A N GLY 117.A O no hydrogen 2.716 N/A PHE 122.A N THR 118.A O no hydrogen 2.922 N/A LEU 123.A N ALA 119.A O no hydrogen 3.033 N/A HIS 124.A N ILE 120.A O no hydrogen 2.906 N/A HIS 124.A NE2 ASP 170.A OD1 no hydrogen 2.648 N/A SER 125.A N GLN 121.A O no hydrogen 3.019 N/A SER 125.A OG GLN 121.A O no hydrogen 3.030 N/A SER 125.A OG PHE 122.A O no hydrogen 2.949 N/A HIS 126.A N PHE 122.A O no hydrogen 3.242 N/A HIS 126.A N LEU 123.A O no hydrogen 2.959 N/A ASN 127.A N HIS 124.A O no hydrogen 3.033 N/A ILE 128.A N LEU 123.A O no hydrogen 2.868 N/A ALA 129.A N LYS 158.A O no hydrogen 2.846 N/A HIS 130.A N ASP 170.A OD1 no hydrogen 3.017 N/A HIS 130.A NE2 THR 152.A O no hydrogen 2.994 N/A ARG 131.A N ASP 170.A OD2 no hydrogen 2.703 N/A ARG 131.A NH1 PHE 156.A O no hydrogen 3.077 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.038 N/A LYS 134.A NZ ASP 132.A OD1 no hydrogen 3.543 N/A LYS 134.A NZ ASP 132.A OD2 no hydrogen 2.797 N/A LYS 134.A NZ THR 262.A OG1 no hydrogen 2.831 N/A GLU 136.A N GLU 136.A OE2 no hydrogen 2.996 N/A ASN 137.A N LYS 134.A O no hydrogen 2.938 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.625 N/A LEU 138.A N PRO 135.A O no hydrogen 3.039 N/A LEU 139.A N LYS 150.A O no hydrogen 2.975 N/A TYR 140.A N GLY 92.A O no hydrogen 2.846 N/A THR 141.A N VAL 148.A O no hydrogen 2.871 N/A GLU 144.A N SER 142.A OG no hydrogen 3.048 N/A ALA 147.A N GLU 144.A O no hydrogen 3.300 N/A VAL 148.A N THR 141.A OG1 no hydrogen 2.949 N/A LYS 150.A N LEU 139.A O no hydrogen 2.807 N/A LYS 150.A NZ GLU 87.A OE1 no hydrogen 2.540 N/A LYS 150.A NZ GLU 87.A OE2 no hydrogen 3.224 N/A LEU 151.A N HIS 64.A O no hydrogen 3.022 N/A THR 152.A N ASN 137.A O no hydrogen 3.031 N/A GLY 155.A N ASP 153.A OD2 no hydrogen 3.127 N/A ALA 157.A N PHE 154.A O no hydrogen 3.178 N/A LYS 158.A N ALA 129.A O no hydrogen 2.906 N/A THR 160.A N ASN 127.A O no hydrogen 2.570 N/A THR 160.A OG1 ASN 127.A O no hydrogen 3.428 N/A THR 161.A N GLU 159.A O no hydrogen 2.377 N/A TYR 165.A OH MET 268.A O no hydrogen 2.592 N/A ASP 166.A N PRO 162.A O no hydrogen 2.404 N/A LYS 167.A N GLU 163.A O no hydrogen 3.156 N/A LYS 167.A NZ HIS 124.A O no hydrogen 3.046 N/A SER 168.A N LYS 164.A O no hydrogen 3.044 N/A SER 168.A OG TYR 165.A O no hydrogen 2.643 N/A CYS 169.A N TYR 165.A O no hydrogen 3.245 N/A CYS 169.A N ASP 166.A O no hydrogen 3.093 N/A CYS 169.A SG TYR 165.A O no hydrogen 3.523 N/A MET 171.A N LYS 167.A O no hydrogen 3.218 N/A TRP 172.A N SER 168.A O no hydrogen 3.105 N/A SER 173.A N CYS 169.A O no hydrogen 3.167 N/A SER 173.A OG VAL 133.A O no hydrogen 2.744 N/A SER 173.A OG CYS 169.A O no hydrogen 3.506 N/A LEU 174.A N ASP 170.A O no hydrogen 2.986 N/A GLY 175.A N MET 171.A O no hydrogen 3.233 N/A VAL 176.A N TRP 172.A O no hydrogen 2.936 N/A ILE 177.A N SER 173.A O no hydrogen 2.813 N/A MET 178.A N LEU 174.A O no hydrogen 2.946 N/A TYR 179.A N GLY 175.A O no hydrogen 3.060 N/A TYR 179.A OH GLY 190.A O no hydrogen 2.533 N/A ILE 180.A N VAL 176.A O no hydrogen 3.115 N/A LEU 181.A N ILE 177.A O no hydrogen 3.016 N/A LEU 182.A N MET 178.A O no hydrogen 3.101 N/A LEU 182.A N TYR 179.A O no hydrogen 3.137 N/A CYS 183.A SG TYR 179.A O no hydrogen 3.448 N/A CYS 183.A SG PHE 185.A O no hydrogen 3.187 N/A GLY 184.A N ILE 180.A O no hydrogen 2.817 N/A TRP 196.A N PRO 192.A O no hydrogen 3.081 N/A SER 197.A N PRO 194.A O no hydrogen 3.222 N/A SER 200.A N GLU 106.A OE2 no hydrogen 2.915 N/A SER 200.A OG GLU 106.A OE1 no hydrogen 2.371 N/A LYS 204.A N SER 200.A O no hydrogen 3.355 N/A LYS 204.A NZ TRP 196.A O no hydrogen 3.440 N/A GLN 205.A N GLU 201.A O no hydrogen 2.907 N/A LEU 206.A N ASP 202.A O no hydrogen 2.948 N/A ILE 207.A N ALA 203.A O no hydrogen 3.032 N/A ARG 208.A N LYS 204.A O no hydrogen 2.985 N/A LEU 209.A N GLN 205.A O no hydrogen 3.091 N/A LEU 210.A N ILE 207.A O no hydrogen 2.849 N/A LEU 211.A N ILE 207.A O no hydrogen 2.854 N/A THR 216.A N ASP 214.A OD1 no hydrogen 3.134 N/A THR 216.A OG1 ASP 214.A OD1 no hydrogen 2.867 N/A THR 216.A OG1 ASP 214.A OD2 no hydrogen 3.220 N/A GLU 217.A N ASP 214.A O no hydrogen 3.159 N/A ARG 218.A NE LYS 212.A O no hydrogen 3.117 N/A ARG 218.A NH1 SER 168.A O no hydrogen 2.840 N/A ARG 218.A NH2 LYS 212.A O no hydrogen 3.035 N/A LEU 219.A N LEU 209.A O no hydrogen 3.148 N/A THR 220.A N GLN 223.A OE1 no hydrogen 2.952 N/A THR 220.A OG1 GLN 223.A OE1 no hydrogen 3.555 N/A PHE 224.A N THR 220.A O no hydrogen 2.911 N/A MET 225.A N ILE 221.A O no hydrogen 3.048 N/A ASN 226.A N THR 222.A O no hydrogen 3.258 N/A HIS 227.A N PHE 224.A O no hydrogen 3.122 N/A HIS 227.A NE2 GLN 205.A OE1 no hydrogen 3.286 N/A TRP 229.A N HIS 227.A ND1 no hydrogen 3.129 N/A TRP 229.A NE1 GLU 106.A OE1 no hydrogen 3.019 N/A ILE 230.A N HIS 227.A O no hydrogen 2.947 N/A ASN 231.A N HIS 227.A O no hydrogen 2.692 N/A GLN 232.A N PRO 228.A O no hydrogen 2.781 N/A GLN 232.A NE2 ASN 231.A OD1 no hydrogen 3.090 N/A SER 233.A N ILE 230.A O no hydrogen 3.188 N/A SER 233.A OG ILE 230.A O no hydrogen 3.379 N/A VAL 236.A N SER 233.A O no hydrogen 3.108 N/A LEU 241.A N PHE 104.A O no hydrogen 2.815 N/A THR 243.A OG1 LEU 181.A O no hydrogen 2.654 N/A VAL 246.A N HIS 242.A O no hydrogen 2.968 N/A LEU 247.A N THR 243.A O no hydrogen 2.884 N/A GLN 248.A N ALA 244.A O no hydrogen 3.011 N/A GLU 249.A N ARG 245.A O no hydrogen 2.850 N/A ASP 250.A N VAL 246.A O no hydrogen 2.728 N/A LYS 251.A N GLN 248.A O no hydrogen 3.426 N/A HIS 253.A N ASP 250.A O no hydrogen 3.047 N/A TRP 254.A N LYS 251.A O no hydrogen 3.178 N/A GLU 256.A N HIS 253.A O no hydrogen 3.321 N/A VAL 257.A N HIS 253.A O no hydrogen 3.446 N/A LYS 258.A N TRP 254.A O no hydrogen 3.142 N/A LYS 258.A NZ ASP 255.A OD2 no hydrogen 3.017 N/A GLU 259.A N ASP 255.A O no hydrogen 2.976 N/A GLU 260.A N GLU 256.A O no hydrogen 2.817 N/A MET 261.A N VAL 257.A O no hydrogen 3.008 N/A THR 262.A N LYS 258.A O no hydrogen 3.002 N/A THR 262.A OG1 LYS 258.A O no hydrogen 3.474 N/A SER 263.A N GLU 259.A O no hydrogen 2.944 N/A ALA 264.A N GLU 260.A O no hydrogen 2.862 N/A LEU 265.A N MET 261.A O no hydrogen 3.039 N/A ALA 266.A N THR 262.A O no hydrogen 2.952 N/A THR 267.A N SER 263.A O no hydrogen 2.904 N/A THR 267.A OG1.A SER 263.A O no hydrogen 3.312 N/A THR 267.A OG1.A ALA 264.A O no hydrogen 2.590 N/A THR 267.A OG1.B SER 263.A O no hydrogen 3.224 N/A MET 268.A N ALA 264.A O no hydrogen 3.024 N/A ARG 269.A N LEU 265.A O no hydrogen 3.216 N/A ARG 269.A N ALA 266.A O no hydrogen 3.028 N/A ARG 269.A NH2 ARG 131.A O no hydrogen 2.813 N/A ARG 269.A NH2 ASP 132.A OD1 no hydrogen 2.965 N/A VAL 270.A N THR 267.A O no hydrogen 3.368 N/A