Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u3r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 TYR 136.A O no hydrogen 3.053 N/A ARG 2.A NH1 HIS 142.A O no hydrogen 2.753 N/A ARG 2.A NH2 TYR 136.A O no hydrogen 3.260 N/A ARG 2.A NH2 HIS 137.A O no hydrogen 2.967 N/A GLU 6.A N LEU 13.A O no hydrogen 2.800 N/A VAL 8.A N VAL 11.A O no hydrogen 2.857 N/A VAL 11.A N VAL 8.A O no hydrogen 3.020 N/A LEU 13.A N GLU 6.A O no hydrogen 2.871 N/A ALA 18.A N ILE 14.A O no hydrogen 2.902 N/A GLU 19.A N LYS 15.A O no hydrogen 2.923 N/A ALA 20.A N TYR 16.A O no hydrogen 2.742 N/A LEU 21.A N ALA 18.A O no hydrogen 3.001 N/A GLY 22.A N GLU 19.A O no hydrogen 3.185 N/A GLN 25.A N GLY 22.A O no hydrogen 3.166 N/A SER 26.A N PRO 23.A O no hydrogen 3.346 N/A SER 26.A OG PRO 23.A O no hydrogen 3.008 N/A PHE 27.A N LEU 24.A O no hydrogen 3.054 N/A ALA 29.A N THR 110.A OG1 no hydrogen 2.923 N/A ARG 30.A N ASP 33.A OD2 no hydrogen 2.829 N/A ARG 30.A NE ASP 32.A OD1 no hydrogen 2.728 N/A ARG 30.A NH2 ASP 32.A OD1 no hydrogen 3.123 N/A ARG 30.A NH2 ASP 32.A OD2 no hydrogen 3.218 N/A ASP 33.A N ARG 30.A O no hydrogen 2.996 N/A LEU 34.A N ARG 96.A O no hydrogen 3.060 N/A LEU 35.A N LYS 117.A O no hydrogen 2.894 N/A ILE 36.A N LEU 98.A O no hydrogen 2.759 N/A SER 37.A N VAL 119.A O no hydrogen 2.908 N/A THR 38.A N THR 100.A O no hydrogen 3.359 N/A THR 38.A OG1 TYR 39.A O no hydrogen 3.346 N/A THR 38.A OG1 THR 44.A OG1 no hydrogen 2.620 N/A THR 38.A OG1 HIS 101.A ND1 no hydrogen 3.017 N/A TYR 39.A OH GLY 163.A O no hydrogen 2.735 N/A SER 42.A OG TYR 39.A O no hydrogen 2.857 N/A THR 44.A OG1 THR 38.A OG1 no hydrogen 2.620 N/A VAL 47.A N GLY 43.A O no hydrogen 2.942 N/A SER 48.A N THR 44.A O no hydrogen 2.899 N/A SER 48.A OG THR 44.A O no hydrogen 2.994 N/A GLN 49.A N THR 45.A O no hydrogen 2.912 N/A ILE 50.A N TRP 46.A O no hydrogen 3.153 N/A LEU 51.A N VAL 47.A O no hydrogen 2.784 N/A ASP 52.A N SER 48.A O no hydrogen 2.857 N/A MET 53.A N GLN 49.A O no hydrogen 2.944 N/A ILE 54.A N ILE 50.A O no hydrogen 3.049 N/A TYR 55.A N LEU 51.A O no hydrogen 2.797 N/A GLN 56.A N ASP 52.A O no hydrogen 3.166 N/A GLN 56.A N MET 53.A O no hydrogen 3.187 N/A GLN 56.A NE2 ASP 52.A O no hydrogen 3.561 N/A GLN 56.A NE2 ASP 52.A OD1 no hydrogen 3.147 N/A GLY 57.A N ILE 54.A O no hydrogen 2.981 N/A GLY 58.A N MET 53.A O no hydrogen 2.764 N/A ASP 59.A N GLN 56.A O no hydrogen 3.248 N/A LEU 60.A N ASP 59.A OD1 no hydrogen 3.264 N/A LYS 62.A NZ GLN 56.A O no hydrogen 3.231 N/A CYS 63.A SG ASP 52.A OD2 no hydrogen 3.845 N/A CYS 63.A SG ASP 59.A O no hydrogen 3.298 N/A ARG 65.A NH1 ASP 52.A OD1 no hydrogen 3.377 N/A ARG 65.A NH1 LYS 62.A O no hydrogen 3.398 N/A ARG 65.A NH2 ASP 52.A OD1 no hydrogen 3.386 N/A ILE 68.A N MET 230.A O no hydrogen 2.912 N/A MET 70.A N PRO 67.A O no hydrogen 2.816 N/A ARG 71.A N PRO 67.A O no hydrogen 3.117 N/A ARG 71.A N ILE 68.A O no hydrogen 3.008 N/A ARG 71.A NE ALA 66.A O no hydrogen 2.835 N/A ARG 71.A NH1 GLN 49.A OE1 no hydrogen 2.979 N/A ARG 71.A NH1 ASP 52.A OD2 no hydrogen 2.252 N/A ARG 71.A NH2 GLN 49.A OE1 no hydrogen 3.257 N/A VAL 72.A N ILE 68.A O no hydrogen 2.845 N/A LEU 75.A N LYS 99.A O no hydrogen 2.782 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.662 N/A PHE 77.A N PHE 74.A O no hydrogen 3.002 N/A ILE 82.A N ALA 79.A O no hydrogen 3.328 N/A SER 84.A N GLU 87.A OE1 no hydrogen 3.179 N/A GLY 85.A N PHE 77.A O no hydrogen 3.063 N/A GLU 87.A N SER 84.A OG no hydrogen 3.073 N/A THR 88.A N SER 84.A O no hydrogen 2.977 N/A THR 88.A OG1 SER 84.A O no hydrogen 3.332 N/A LEU 89.A N GLY 85.A O no hydrogen 2.824 N/A LYS 90.A N GLU 87.A O no hydrogen 2.967 N/A ASP 91.A N THR 88.A O no hydrogen 3.134 N/A THR 92.A N LEU 89.A O no hydrogen 3.215 N/A THR 92.A OG1 THR 88.A O no hydrogen 3.103 N/A ARG 96.A NE ASP 33.A OD1 no hydrogen 2.696 N/A ARG 96.A NH2 GLN 28.A O no hydrogen 3.330 N/A ARG 96.A NH2 ASP 33.A OD1 no hydrogen 3.261 N/A ARG 96.A NH2 ASP 33.A OD2 no hydrogen 2.891 N/A LEU 98.A N LEU 34.A O no hydrogen 2.983 N/A LYS 99.A N PRO 73.A O no hydrogen 2.902 N/A THR 100.A N ILE 36.A O no hydrogen 2.928 N/A THR 100.A OG1 GLU 76.A OE1 no hydrogen 2.699 N/A THR 100.A OG1 GLU 76.A OE2 no hydrogen 3.189 N/A HIS 101.A N GLU 76.A OE2 no hydrogen 2.859 N/A HIS 101.A ND1 THR 38.A O no hydrogen 2.683 N/A LEU 102.A N THR 100.A OG1 no hydrogen 3.034 N/A LEU 104.A N GLU 171.A OE2 no hydrogen 3.014 N/A LEU 106.A N PRO 103.A O no hydrogen 2.790 N/A GLN 109.A NE2 ASP 113.A OD1 no hydrogen 3.185 N/A LEU 111.A N PRO 108.A O no hydrogen 3.154 N/A ASP 113.A N GLN 109.A O no hydrogen 2.993 N/A GLN 114.A N THR 110.A O no hydrogen 3.007 N/A GLN 114.A NE2 ALA 29.A O no hydrogen 2.999 N/A LYS 115.A N LEU 112.A O no hydrogen 3.056 N/A VAL 116.A N LEU 111.A O no hydrogen 3.152 N/A VAL 118.A N PRO 180.A O no hydrogen 2.880 N/A VAL 119.A N LEU 35.A O no hydrogen 2.760 N/A TYR 120.A N LEU 182.A O no hydrogen 2.879 N/A TYR 120.A OH HIS 168.A ND1 no hydrogen 2.735 N/A VAL 121.A N SER 37.A O no hydrogen 3.086 N/A ALA 122.A N LEU 184.A O no hydrogen 2.895 N/A ARG 123.A NH1 LYS 41.A O no hydrogen 3.002 N/A ARG 123.A NH2 MET 253.A O no hydrogen 3.035 N/A ASN 124.A N GLU 187.A OE2 no hydrogen 2.934 N/A ASN 124.A ND2 ASP 127.A OD2 no hydrogen 2.783 N/A ASN 124.A ND2 GLU 187.A OE2 no hydrogen 2.907 N/A ASN 124.A ND2 ARG 285.A O no hydrogen 3.491 N/A LYS 126.A N ASN 124.A OD1 no hydrogen 3.021 N/A LYS 126.A NZ ASN 266.A OD1 no hydrogen 2.866 N/A LYS 126.A NZ ASP 270.A OD1 no hydrogen 2.607 N/A ASP 127.A N ASN 124.A OD1 no hydrogen 3.072 N/A VAL 128.A N ASN 124.A O no hydrogen 3.136 N/A ALA 129.A N ALA 125.A O no hydrogen 2.876 N/A VAL 130.A N LYS 126.A O no hydrogen 3.040 N/A SER 131.A N ASP 127.A O no hydrogen 2.881 N/A TYR 132.A N VAL 128.A O no hydrogen 2.624 N/A TYR 132.A OH SER 161.A O no hydrogen 2.623 N/A TYR 133.A N ALA 129.A O no hydrogen 2.823 N/A TYR 133.A OH GLY 146.A O no hydrogen 3.009 N/A HIS 134.A N VAL 130.A O no hydrogen 3.250 N/A PHE 135.A N SER 131.A O no hydrogen 3.011 N/A TYR 136.A N TYR 132.A O no hydrogen 2.945 N/A HIS 137.A N HIS 134.A O no hydrogen 3.054 N/A MET 138.A N HIS 134.A O no hydrogen 3.292 N/A ALA 139.A N PHE 135.A O no hydrogen 2.799 N/A LYS 140.A N PHE 240.A O no hydrogen 3.108 N/A LYS 140.A NZ GLN 238.A O no hydrogen 3.053 N/A HIS 142.A N ALA 139.A O no hydrogen 3.214 N/A TRP 148.A NE1 GLN 265.A OE1 no hydrogen 3.002 N/A SER 150.A N THR 147.A OG1 no hydrogen 3.076 N/A SER 150.A OG THR 147.A O no hydrogen 3.282 N/A PHE 151.A N THR 147.A O no hydrogen 2.747 N/A LEU 152.A N TRP 148.A O no hydrogen 2.872 N/A GLU 153.A N ASP 149.A O no hydrogen 3.164 N/A LYS 154.A N SER 150.A O no hydrogen 2.955 N/A PHE 155.A N PHE 151.A O no hydrogen 2.880 N/A MET 156.A N LEU 152.A O no hydrogen 3.129 N/A VAL 157.A N LYS 154.A O no hydrogen 3.157 N/A GLY 158.A N PHE 155.A O no hydrogen 3.180 N/A GLU 159.A N LYS 154.A O no hydrogen 2.789 N/A SER 161.A N TYR 136.A OH no hydrogen 2.966 N/A TYR 162.A N PRO 12.A O no hydrogen 2.871 N/A TYR 162.A OH GLU 76.A OE2 no hydrogen 2.689 N/A GLY 163.A N VAL 160.A O no hydrogen 2.725 N/A GLN 167.A N SER 164.A OG no hydrogen 3.005 N/A HIS 168.A N SER 164.A O no hydrogen 3.004 N/A HIS 168.A ND1 TYR 120.A OH no hydrogen 2.735 N/A HIS 168.A NE2 HIS 101.A O no hydrogen 2.802 N/A VAL 169.A N TRP 165.A O no hydrogen 3.061 N/A GLN 170.A N TYR 166.A O no hydrogen 3.342 N/A GLN 170.A NE2 LYS 276.A O no hydrogen 3.595 N/A GLU 171.A N GLN 167.A O no hydrogen 2.971 N/A TRP 172.A N HIS 168.A O no hydrogen 3.137 N/A TRP 173.A N VAL 169.A O no hydrogen 3.249 N/A GLU 174.A N GLN 170.A O no hydrogen 2.968 N/A LEU 175.A N GLU 171.A O no hydrogen 2.922 N/A SER 176.A N TRP 172.A O no hydrogen 3.116 N/A SER 176.A OG TRP 173.A O no hydrogen 2.729 N/A ARG 177.A N GLU 174.A O no hydrogen 2.998 N/A ARG 177.A NH2.B TRP 173.A O no hydrogen 3.340 N/A THR 178.A N LEU 175.A O no hydrogen 2.978 N/A HIS 179.A NE2 VAL 116.A O no hydrogen 2.716 N/A LEU 182.A N VAL 118.A O no hydrogen 2.846 N/A TYR 183.A OH VAL 169.A O no hydrogen 2.885 N/A LEU 184.A N TYR 120.A O no hydrogen 2.640 N/A TYR 186.A N ALA 122.A O no hydrogen 2.696 N/A MET 189.A N PHE 185.A O no hydrogen 3.064 N/A LYS 190.A N TYR 186.A O no hydrogen 3.044 N/A GLU 191.A N GLU 187.A O no hydrogen 2.805 N/A ASN 192.A N ASP 188.A O no hydrogen 3.008 N/A LYS 194.A NZ GLU 210.A OE1 no hydrogen 2.982 N/A LYS 194.A NZ ASP 214.A OD1 no hydrogen 3.032 N/A ARG 195.A N ASN 192.A OD1 no hydrogen 3.085 N/A ARG 195.A NE GLU 196.A OE2 no hydrogen 2.622 N/A ARG 195.A NH1 GLU 191.A OE2 no hydrogen 3.369 N/A ARG 195.A NH2 ASP 188.A O no hydrogen 3.290 N/A ARG 195.A NH2 GLU 191.A OE2 no hydrogen 2.929 N/A ARG 195.A NH2 GLU 196.A OE2 no hydrogen 3.232 N/A GLU 196.A N ASN 192.A O no hydrogen 3.317 N/A ILE 197.A N PRO 193.A O no hydrogen 2.763 N/A GLN 198.A N LYS 194.A O no hydrogen 2.975 N/A LYS 199.A N ARG 195.A O no hydrogen 2.980 N/A LYS 199.A NZ GLU 196.A OE1 no hydrogen 2.802 N/A ILE 200.A N GLU 196.A O no hydrogen 2.937 N/A LEU 201.A N ILE 197.A O no hydrogen 2.791 N/A GLU 202.A N GLN 198.A O no hydrogen 3.037 N/A PHE 203.A N LYS 199.A O no hydrogen 3.050 N/A VAL 204.A N ILE 200.A O no hydrogen 3.026 N/A GLY 205.A N GLU 202.A O no hydrogen 3.073 N/A HIS 206.A N LEU 201.A O no hydrogen 3.047 N/A THR 212.A OG1 PRO 209.A O no hydrogen 3.538 N/A VAL 213.A N PRO 209.A O no hydrogen 3.182 N/A ASP 214.A N GLU 210.A O no hydrogen 2.865 N/A PHE 215.A N GLU 211.A O no hydrogen 2.839 N/A MET 216.A N THR 212.A O no hydrogen 2.932 N/A VAL 217.A N VAL 213.A O no hydrogen 2.865 N/A GLN 218.A N ASP 214.A O no hydrogen 3.178 N/A HIS 219.A N PHE 215.A O no hydrogen 3.120 N/A HIS 219.A ND1 PHE 215.A O no hydrogen 3.184 N/A THR 220.A OG1 MET 216.A O no hydrogen 2.610 N/A SER 221.A N GLN 218.A O no hydrogen 3.218 N/A SER 221.A OG GLN 218.A O no hydrogen 2.909 N/A MET 225.A N SER 221.A O no hydrogen 2.835 N/A LYS 226.A N PHE 222.A O no hydrogen 2.795 N/A LYS 226.A NZ MET 249.A O no hydrogen 3.493 N/A ASN 228.A N GLU 224.A O no hydrogen 3.085 N/A MET 230.A N ASN 228.A OD1 no hydrogen 2.945 N/A THR 231.A N ASN 228.A O no hydrogen 3.060 N/A THR 231.A OG1 MET 225.A O no hydrogen 2.805 N/A THR 231.A OG1 ASN 228.A O no hydrogen 3.265 N/A ASN 232.A N ASN 228.A O no hydrogen 3.091 N/A ASN 232.A ND2 LYS 226.A O no hydrogen 2.750 N/A THR 234.A N ASN 232.A OD1 no hydrogen 3.156 N/A THR 234.A OG1 ASN 232.A OD1 no hydrogen 2.648 N/A PHE 240.A N PRO 237.A O no hydrogen 3.089 N/A MET 241.A N PRO 237.A O no hydrogen 3.135 N/A GLY 242.A N MET 138.A O no hydrogen 2.930 N/A ILE 245.A N GLY 242.A O no hydrogen 2.884 N/A SER 246.A N GLY 242.A O no hydrogen 3.401 N/A LYS 251.A NZ ASP 256.A OD2 no hydrogen 3.042 N/A GLY 255.A N ASP 127.A OD2 no hydrogen 2.901 N/A TRP 257.A NE1 SER 286.A O no hydrogen 2.924 N/A THR 259.A N ASP 256.A O no hydrogen 3.132 N/A THR 259.A OG1 ASP 256.A O no hydrogen 3.037 N/A THR 259.A OG1 ASP 256.A OD1 no hydrogen 3.253 N/A THR 260.A N TRP 257.A O no hydrogen 2.744 N/A PHE 261.A N TRP 257.A O no hydrogen 2.979 N/A THR 262.A N GLN 265.A OE1 no hydrogen 2.956 N/A GLN 265.A N THR 262.A OG1 no hydrogen 3.182 N/A GLN 265.A NE2 ASP 149.A OD1 no hydrogen 3.126 N/A ASN 266.A N THR 262.A O no hydrogen 2.926 N/A GLU 267.A N VAL 263.A O no hydrogen 3.140 N/A ARG 268.A N.A ALA 264.A O no hydrogen 3.112 N/A ARG 268.A N.B ALA 264.A O no hydrogen 3.105 N/A ARG 268.A NE.A GLU 153.A OE2 no hydrogen 2.951 N/A ARG 268.A NH1.B ASP 149.A OD1 no hydrogen 3.043 N/A ARG 268.A NH1.B GLU 153.A OE2 no hydrogen 3.008 N/A ARG 268.A NH2.A GLU 153.A OE1 no hydrogen 2.942 N/A PHE 269.A N GLN 265.A O no hydrogen 2.972 N/A ASP 270.A N ASN 266.A O no hydrogen 2.958 N/A ALA 271.A N GLU 267.A O no hydrogen 3.213 N/A ASP 272.A N ARG 268.A O.A no hydrogen 2.974 N/A TYR 273.A N PHE 269.A O no hydrogen 2.786 N/A ALA 274.A N ASP 270.A O no hydrogen 3.204 N/A GLU 275.A N ALA 271.A O no hydrogen 3.393 N/A LYS 276.A N ASP 272.A O no hydrogen 3.147 N/A LYS 276.A NZ MET 156.A O no hydrogen 2.702 N/A LYS 276.A NZ ASP 272.A OD1 no hydrogen 3.546 N/A LYS 276.A NZ ASP 272.A OD2 no hydrogen 2.870 N/A MET 277.A N TYR 273.A O no hydrogen 3.001 N/A ARG 285.A NH1 GLU 191.A OE1 no hydrogen 3.116 N/A ARG 285.A NH2 GLU 191.A OE2 no hydrogen 3.164 N/A