Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASN 177.A O no hydrogen 3.403 N/A GLU 5.A N SER 1.A O no hydrogen 2.925 N/A LYS 6.A N GLN 2.A O no hydrogen 2.913 N/A LEU 7.A N ALA 3.A O no hydrogen 3.097 N/A LEU 8.A N LEU 4.A O no hydrogen 2.914 N/A ASP 9.A N GLU 5.A O no hydrogen 2.966 N/A LEU 10.A N LYS 6.A O no hydrogen 2.991 N/A LEU 11.A N LEU 7.A O no hydrogen 3.013 N/A ASP 12.A N LEU 8.A O no hydrogen 3.096 N/A ASP 12.A N ASP 9.A O no hydrogen 3.285 N/A GLU 14.A N ARG 22.A O no hydrogen 2.876 N/A LYS 15.A NZ GLU 18.A OE2 no hydrogen 2.831 N/A ILE 16.A N ILE 20.A O no hydrogen 2.860 N/A GLU 17.A N ILE 20.A O no hydrogen 3.249 N/A GLU 18.A N GLU 17.A OE1 no hydrogen 2.848 N/A ILE 20.A N GLU 17.A O no hydrogen 3.003 N/A PHE 21.A N TYR 72.A O no hydrogen 2.943 N/A ARG 22.A N GLU 14.A O no hydrogen 2.860 N/A ARG 22.A NE GLU 14.A OE1 no hydrogen 2.895 N/A ARG 22.A NH2 GLU 14.A OE1 no hydrogen 3.193 N/A ARG 22.A NH2 GLU 14.A OE2 no hydrogen 2.688 N/A GLY 23.A N ILE 70.A O no hydrogen 2.870 N/A GLU 26.A N GLN 34.A OE1 no hydrogen 3.090 N/A VAL 30.A N GLY 64.A O no hydrogen 2.940 N/A GLN 34.A N PHE 31.A O no hydrogen 2.957 N/A GLN 34.A NE2 SER 25.A OG no hydrogen 3.213 N/A GLN 34.A NE2 GLN 38.A OE1 no hydrogen 2.994 N/A VAL 35.A N PHE 31.A O no hydrogen 3.444 N/A VAL 36.A N GLY 32.A O no hydrogen 3.043 N/A GLY 37.A N GLY 33.A O no hydrogen 2.946 N/A GLN 38.A N GLN 34.A O no hydrogen 2.942 N/A GLN 38.A NE2 LEU 10.A O no hydrogen 2.983 N/A GLN 38.A NE2 GLN 24.A O no hydrogen 2.978 N/A ALA 39.A N VAL 35.A O no hydrogen 2.733 N/A ILE 40.A N VAL 36.A O no hydrogen 2.923 N/A TYR 41.A N GLY 37.A O no hydrogen 3.037 N/A TYR 41.A OH ASP 12.A OD1 no hydrogen 3.265 N/A ALA 42.A N GLN 38.A O no hydrogen 2.923 N/A ALA 43.A N ALA 39.A O no hydrogen 3.004 N/A LYS 44.A N ILE 40.A O no hydrogen 3.024 N/A LYS 44.A NZ PRO 48.A O no hydrogen 3.294 N/A LYS 44.A NZ ALA 49.A O no hydrogen 3.087 N/A LYS 44.A NZ ARG 51.A O no hydrogen 2.723 N/A GLN 45.A N TYR 41.A O no hydrogen 3.155 N/A GLN 45.A N ALA 42.A O no hydrogen 3.240 N/A THR 46.A N ALA 43.A O no hydrogen 3.000 N/A THR 46.A OG1 ALA 43.A O no hydrogen 2.736 N/A VAL 47.A N LYS 44.A O no hydrogen 3.394 N/A ARG 51.A N PRO 48.A O no hydrogen 3.067 N/A ARG 51.A NH1 GLY 80.A O no hydrogen 3.039 N/A ARG 51.A NH1 SER 84.A OG no hydrogen 2.772 N/A ARG 51.A NH2 GLY 80.A O no hydrogen 2.841 N/A THR 52.A N GLN 105.A O no hydrogen 3.272 N/A HIS 54.A N SER 103.A O no hydrogen 2.848 N/A HIS 54.A NE2 SER 103.A OG no hydrogen 2.764 N/A SER 55.A N SER 103.A O no hydrogen 3.412 N/A PHE 56.A N MET 225.A O no hydrogen 2.926 N/A HIS 57.A N THR 101.A O no hydrogen 2.977 N/A SER 58.A OG HIS 223.A O no hydrogen 2.609 N/A TYR 59.A N TYR 99.A O no hydrogen 3.001 N/A PHE 60.A N ILE 221.A O no hydrogen 2.830 N/A LEU 61.A N ILE 97.A O no hydrogen 2.884 N/A ARG 62.A N ILE 97.A O no hydrogen 3.070 N/A ARG 62.A NH1 PRO 96.A O no hydrogen 2.551 N/A ASP 65.A N GLN 92.A OE1 no hydrogen 2.738 N/A SER 67.A N ASP 65.A OD2 no hydrogen 2.838 N/A SER 67.A OG ASP 65.A OD1 no hydrogen 3.209 N/A SER 67.A OG ASP 65.A OD2 no hydrogen 2.527 N/A LYS 68.A N ASP 65.A O no hydrogen 3.106 N/A LYS 68.A NZ ASP 65.A OD1 no hydrogen 2.655 N/A ILE 70.A N GLY 23.A O no hydrogen 2.794 N/A ILE 71.A N ILE 91.A O no hydrogen 2.976 N/A TYR 72.A N PHE 21.A O no hydrogen 2.795 N/A TYR 72.A OH GLN 38.A OE1 no hydrogen 2.612 N/A ASP 73.A N SER 89.A O no hydrogen 2.887 N/A VAL 74.A N GLY 19.A O no hydrogen 2.715 N/A GLU 75.A N ARG 87.A O no hydrogen 2.951 N/A LEU 77.A N ALA 85.A O no hydrogen 3.055 N/A GLY 80.A N PHE 83.A O no hydrogen 2.758 N/A SER 84.A N PHE 104.A O no hydrogen 3.010 N/A SER 84.A OG ASP 79.A OD2 no hydrogen 2.724 N/A ALA 85.A N ARG 78.A O no hydrogen 2.945 N/A ARG 86.A N ALA 102.A O no hydrogen 2.937 N/A ARG 86.A NE THR 46.A O no hydrogen 3.461 N/A ARG 86.A NE THR 46.A OG1 no hydrogen 2.839 N/A ARG 86.A NH1 THR 46.A O no hydrogen 3.085 N/A ARG 86.A NH1 ASP 79.A OD1 no hydrogen 3.152 N/A ARG 86.A NH1 ASP 79.A OD2 no hydrogen 2.757 N/A ARG 86.A NH2 ARG 78.A O no hydrogen 3.366 N/A ARG 86.A NH2 ALA 85.A O no hydrogen 2.723 N/A ARG 87.A N GLU 75.A O no hydrogen 2.907 N/A VAL 88.A N MET 100.A O no hydrogen 2.670 N/A SER 89.A N ASP 73.A O no hydrogen 2.856 N/A ALA 90.A N PHE 98.A O no hydrogen 2.877 N/A ILE 91.A N ILE 71.A O no hydrogen 2.715 N/A GLN 92.A N LYS 95.A O no hydrogen 2.907 N/A GLN 92.A NE2 ASP 65.A O no hydrogen 2.867 N/A GLN 92.A NE2 LYS 68.A O no hydrogen 3.016 N/A GLN 92.A NE2 PRO 69.A O no hydrogen 3.018 N/A LYS 95.A N GLN 92.A O no hydrogen 3.010 N/A ILE 97.A N ALA 90.A O no hydrogen 2.818 N/A TYR 99.A N TYR 59.A O no hydrogen 3.124 N/A MET 100.A N VAL 88.A O no hydrogen 2.815 N/A THR 101.A N HIS 57.A O no hydrogen 2.895 N/A ALA 102.A N ARG 86.A O no hydrogen 2.834 N/A SER 103.A N SER 55.A O no hydrogen 2.850 N/A SER 103.A OG HIS 54.A NE2 no hydrogen 2.764 N/A PHE 104.A N SER 84.A O no hydrogen 2.903 N/A GLN 105.A N THR 52.A O no hydrogen 3.109 N/A SER 106.A N SER 82.A O no hydrogen 3.418 N/A SER 106.A OG GLU 50.A OE1 no hydrogen 2.688 N/A GLN 107.A N GLU 50.A OE2 no hydrogen 2.525 N/A GLN 114.A NE2 ASN 115.A O no hydrogen 2.634 N/A GLN 114.A NE2 GLY 262.A O no hydrogen 3.079 N/A ASN 115.A ND2 GLN 256.A OE1 no hydrogen 2.929 N/A LEU 126.A N PRO 123.A O no hydrogen 3.171 N/A SER 128.A OG THR 130.A OG1 no hydrogen 3.240 N/A SER 128.A OG ASP 131.A OD2 no hydrogen 2.665 N/A GLU 129.A N MET 152.A O no hydrogen 2.740 N/A THR 130.A OG1 SER 128.A OG no hydrogen 3.240 N/A ASP 131.A N SER 128.A O no hydrogen 3.115 N/A ASP 131.A N SER 128.A OG no hydrogen 3.175 N/A ILE 132.A N SER 128.A O no hydrogen 3.108 N/A ALA 133.A N GLU 129.A O no hydrogen 2.972 N/A PHE 136.A N ALA 133.A O no hydrogen 2.619 N/A LYS 139.A N GLU 138.A OE2 no hydrogen 2.421 N/A GLN 148.A NE2 GLY 146.A O no hydrogen 2.659 N/A GLU 151.A N ARG 175.A O no hydrogen 2.761 N/A ARG 153.A N TRP 173.A O no hydrogen 2.802 N/A ARG 153.A NE GLU 151.A OE2 no hydrogen 2.620 N/A ARG 153.A NH1 PRO 123.A O no hydrogen 2.887 N/A ARG 153.A NH2 GLU 151.A OE2 no hydrogen 2.804 N/A VAL 155.A N TYR 171.A O no hydrogen 3.037 N/A LYS 156.A NZ GLU 166.A OE1 no hydrogen 2.785 N/A LEU 161.A N ASN 159.A OD1 no hydrogen 2.788 N/A GLN 162.A N ASN 159.A O no hydrogen 3.091 N/A GLU 166.A N GLN 205.A O no hydrogen 3.082 N/A ASN 169.A N GLU 167.A O no hydrogen 2.810 N/A ARG 170.A N VAL 241.A O no hydrogen 2.710 N/A ARG 170.A NE GLN 205.A OE1 no hydrogen 2.895 N/A ARG 170.A NH1 ASN 198.A OD1 no hydrogen 2.960 N/A ARG 170.A NH2 GLN 205.A OE1 no hydrogen 2.852 N/A VAL 172.A N TYR 239.A O no hydrogen 3.105 N/A TRP 173.A N ARG 153.A O no hydrogen 2.956 N/A TRP 173.A NE1 PRO 121.A O no hydrogen 2.919 N/A PHE 174.A N LEU 237.A O no hydrogen 2.923 N/A ARG 175.A N GLU 151.A O no hydrogen 3.135 N/A ARG 175.A NH2 GLU 151.A OE1 no hydrogen 3.243 N/A ALA 176.A N LEU 233.A O no hydrogen 2.840 N/A ASN 177.A N PRO 149.A O no hydrogen 2.909 N/A ASN 177.A ND2 GLN 148.A O no hydrogen 2.802 N/A GLY 178.A N ALA 176.A O no hydrogen 2.933 N/A MET 180.A N ASP 234.A OD2 no hydrogen 3.377 N/A ARG 185.A N ASP 183.A OD1 no hydrogen 3.119 N/A VAL 186.A N ASP 183.A O no hydrogen 3.079 N/A HIS 187.A N ASP 183.A O no hydrogen 3.494 N/A HIS 187.A NE2 PRO 181.A O no hydrogen 2.821 N/A GLN 188.A N LEU 184.A O no hydrogen 2.832 N/A TYR 189.A N ARG 185.A O no hydrogen 3.039 N/A LEU 190.A N VAL 186.A O no hydrogen 3.069 N/A LEU 191.A N HIS 187.A O no hydrogen 2.826 N/A GLY 192.A N GLN 188.A O no hydrogen 2.876 N/A TYR 193.A N TYR 189.A O no hydrogen 2.998 N/A TYR 193.A OH GLU 26.A OE1 no hydrogen 2.551 N/A ALA 194.A N LEU 190.A O no hydrogen 2.816 N/A SER 195.A N LEU 191.A O no hydrogen 2.768 N/A SER 195.A N GLY 192.A O no hydrogen 3.258 N/A SER 195.A OG GLY 192.A O no hydrogen 2.683 N/A SER 195.A OG HIS 223.A NE2 no hydrogen 2.899 N/A ASP 196.A N TYR 193.A O no hydrogen 3.138 N/A PHE 197.A N ALA 194.A O no hydrogen 3.197 N/A THR 202.A N PHE 199.A O no hydrogen 3.021 N/A THR 202.A OG1 PHE 199.A O no hydrogen 2.883 N/A ALA 203.A N LEU 200.A O no hydrogen 2.929 N/A LEU 204.A N PRO 201.A O no hydrogen 2.944 N/A GLN 205.A N THR 202.A O no hydrogen 3.164 N/A GLN 205.A NE2 GLU 167.A O no hydrogen 2.875 N/A GLN 205.A NE2 ASN 169.A O no hydrogen 2.931 N/A HIS 207.A N LEU 204.A O no hydrogen 2.909 N/A GLY 208.A N GLN 205.A O no hydrogen 3.249 N/A GLY 210.A N GLU 213.A OE2 no hydrogen 2.559 N/A LEU 212.A N PRO 160.A O no hydrogen 2.840 N/A GLU 213.A N GLY 210.A O no hydrogen 3.191 N/A MET 216.A N GLU 213.A O no hydrogen 3.113 N/A GLN 217.A N ARG 275.A O no hydrogen 2.499 N/A ALA 219.A N VAL 273.A O no hydrogen 2.918 N/A THR 220.A OG1 GLN 270.A OE1 no hydrogen 2.854 N/A ILE 221.A N GLU 271.A O no hydrogen 2.950 N/A ASP 222.A N GLU 271.A O no hydrogen 3.198 N/A HIS 223.A N SER 58.A O no hydrogen 2.984 N/A HIS 223.A NE2 SER 195.A OG no hydrogen 2.899 N/A SER 224.A N VAL 269.A O no hydrogen 2.936 N/A MET 225.A N PHE 56.A O no hydrogen 3.030 N/A TRP 226.A N SER 267.A O no hydrogen 2.843 N/A PHE 227.A N HIS 54.A O no hydrogen 2.887 N/A HIS 228.A N VAL 265.A O no hydrogen 3.045 N/A HIS 228.A NE2 SER 267.A OG no hydrogen 2.453 N/A ARG 229.A N VAL 265.A O no hydrogen 3.436 N/A ARG 229.A NE GLU 112.A OE1 no hydrogen 3.417 N/A ARG 229.A NH1 GLU 112.A OE1 no hydrogen 3.449 N/A ARG 229.A NH1 HIS 113.A O no hydrogen 2.804 N/A ARG 229.A NH2 LEU 264.A O no hydrogen 2.839 N/A ARG 232.A NE ASP 234.A OD1 no hydrogen 2.969 N/A ARG 232.A NE ASP 234.A OD2 no hydrogen 3.380 N/A ARG 232.A NH1 ASP 182.A OD1 no hydrogen 3.177 N/A ARG 232.A NH2 PRO 181.A O no hydrogen 3.222 N/A ARG 232.A NH2 ASP 234.A OD2 no hydrogen 2.952 N/A LEU 233.A N HIS 187.A ND1 no hydrogen 3.062 N/A LEU 237.A N PHE 174.A O no hydrogen 3.041 N/A LEU 238.A N TYR 258.A O no hydrogen 2.632 N/A TYR 239.A N VAL 172.A O no hydrogen 2.975 N/A TYR 239.A OH SER 195.A O no hydrogen 2.742 N/A TYR 239.A OH THR 268.A OG1 no hydrogen 2.807 N/A ALA 240.A N GLN 256.A O no hydrogen 2.799 N/A VAL 241.A N ARG 170.A O no hydrogen 2.764 N/A GLU 242.A N ARG 254.A O no hydrogen 3.079 N/A SER 243.A N PRO 168.A O no hydrogen 2.865 N/A SER 243.A OG SER 245.A O no hydrogen 3.466 N/A SER 243.A OG PHE 252.A O no hydrogen 2.870 N/A SER 247.A N ARG 250.A O no hydrogen 2.995 N/A SER 247.A OG ALA 246.A O no hydrogen 3.039 N/A ARG 250.A N SER 247.A O no hydrogen 2.840 N/A ARG 250.A NE GLU 271.A OE2 no hydrogen 2.818 N/A GLY 251.A N GLY 272.A O no hydrogen 2.800 N/A PHE 252.A N SER 245.A O no hydrogen 2.968 N/A VAL 253.A N GLN 270.A O no hydrogen 2.786 N/A ARG 254.A N GLU 242.A O no hydrogen 2.981 N/A ARG 254.A NE GLU 242.A OE2 no hydrogen 3.129 N/A ARG 254.A NH2 GLU 242.A OE2 no hydrogen 2.884 N/A GLY 255.A N THR 268.A O no hydrogen 2.814 N/A GLN 256.A N ALA 240.A O no hydrogen 2.896 N/A ILE 257.A N ALA 266.A O no hydrogen 2.680 N/A TYR 258.A N LEU 238.A O no hydrogen 2.789 N/A TYR 258.A OH ASN 115.A OD1 no hydrogen 2.826 N/A ASN 259.A N VAL 263.A O no hydrogen 3.012 N/A ARG 260.A NH1 GLU 124.A OE1 no hydrogen 3.227 N/A ARG 260.A NH2 GLU 124.A OE1 no hydrogen 3.372 N/A ARG 260.A NH2 GLU 124.A OE2 no hydrogen 2.328 N/A GLY 262.A N ASN 259.A O no hydrogen 2.794 N/A VAL 263.A N ASN 259.A OD1 no hydrogen 2.673 N/A LEU 264.A N GLN 114.A OE1 no hydrogen 2.790 N/A VAL 265.A N ILE 257.A O no hydrogen 2.726 N/A ALA 266.A N ILE 257.A O no hydrogen 3.309 N/A SER 267.A N TRP 226.A O no hydrogen 3.091 N/A SER 267.A OG HIS 228.A NE2 no hydrogen 2.453 N/A THR 268.A N GLY 255.A O no hydrogen 2.755 N/A THR 268.A OG1 TYR 239.A OH no hydrogen 2.807 N/A VAL 269.A N SER 224.A O no hydrogen 2.892 N/A GLN 270.A N VAL 253.A O no hydrogen 2.895 N/A GLN 270.A NE2 ASP 196.A OD1 no hydrogen 3.002 N/A GLN 270.A NE2 HIS 223.A ND1 no hydrogen 2.956 N/A GLU 271.A N ASP 222.A OD1 no hydrogen 3.140 N/A GLY 272.A N GLY 251.A O no hydrogen 2.850 N/A VAL 273.A N ALA 219.A O no hydrogen 2.717 N/A ILE 274.A N ALA 249.A O no hydrogen 2.870 N/A ARG 275.A N GLN 217.A O no hydrogen 2.727 N/A ARG 275.A NH2 GLN 217.A OE1 no hydrogen 2.583 N/A HIS 277.A N GLY 215.A O no hydrogen 2.625 N/A HIS 277.A NE2 GLN 217.A OE1 no hydrogen 2.651 N/A