Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4diu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ PRO 3.A O no hydrogen 3.485 N/A PHE 7.A N ALA 45.A O no hydrogen 3.057 N/A PHE 9.A N CYS 43.A O no hydrogen 2.716 N/A ALA 11.A N THR 42.A OG1 no hydrogen 2.815 N/A GLY 12.A N GLY 40.A O no hydrogen 3.168 N/A ALA 15.A N LYS 84.A O no hydrogen 3.410 N/A VAL 16.A N THR 42.A O no hydrogen 2.749 N/A LEU 17.A N ALA 86.A O no hydrogen 2.750 N/A LEU 18.A N HIS 44.A O no hydrogen 2.884 N/A LEU 19.A N ALA 88.A O no hydrogen 3.012 N/A HIS 20.A ND1 GLY 21.A O no hydrogen 2.772 N/A THR 23.A N HIS 51.A NE2 no hydrogen 2.704 N/A GLY 24.A N GLY 21.A O no hydrogen 2.930 N/A ASN 25.A N ASP 28.A OD2 no hydrogen 2.918 N/A SER 26.A OG LYS 5.A O no hydrogen 2.669 N/A ALA 27.A N ASN 25.A OD1 no hydrogen 2.655 N/A ASP 28.A N ASN 25.A O no hydrogen 2.838 N/A VAL 29.A N SER 26.A O no hydrogen 3.096 N/A ARG 30.A N ALA 27.A O no hydrogen 3.246 N/A GLY 33.A N VAL 29.A O no hydrogen 3.131 N/A ARG 34.A N ARG 30.A O no hydrogen 2.946 N/A PHE 35.A N MET 31.A O no hydrogen 3.132 N/A LEU 36.A N LEU 32.A O no hydrogen 3.012 N/A GLU 37.A N GLY 33.A O no hydrogen 2.819 N/A SER 38.A N ARG 34.A O no hydrogen 2.954 N/A SER 38.A OG PHE 35.A O no hydrogen 2.515 N/A LYS 39.A N LEU 36.A O no hydrogen 2.810 N/A GLY 40.A N GLU 37.A O no hydrogen 2.981 N/A TYR 41.A N LEU 36.A O no hydrogen 2.941 N/A TYR 41.A OH GLU 240.A OE2 no hydrogen 2.435 N/A THR 42.A N ARG 14.A O no hydrogen 2.896 N/A THR 42.A OG1 GLY 12.A O no hydrogen 2.616 N/A THR 42.A OG1 TYR 82.A OH no hydrogen 3.420 N/A CYS 43.A N PHE 9.A O no hydrogen 2.858 N/A CYS 43.A SG GLY 33.A O no hydrogen 3.812 N/A CYS 43.A SG TYR 41.A O no hydrogen 3.670 N/A HIS 44.A N VAL 16.A O no hydrogen 3.193 N/A HIS 44.A ND1 PHE 7.A O no hydrogen 3.166 N/A ALA 45.A N PHE 7.A O no hydrogen 2.830 N/A TYR 48.A N HIS 20.A NE2 no hydrogen 3.007 N/A TYR 48.A OH HIS 20.A O no hydrogen 2.995 N/A SER 49.A N ASP 69.A OD2 no hydrogen 2.899 N/A SER 49.A OG ASP 69.A OD1 no hydrogen 3.436 N/A SER 49.A OG ASP 69.A OD2 no hydrogen 2.659 N/A HIS 51.A N TYR 48.A O no hydrogen 2.947 N/A HIS 51.A ND1 SER 49.A O no hydrogen 3.146 N/A ALA 57.A N PRO 54.A O no hydrogen 3.203 N/A LEU 58.A N PRO 55.A O no hydrogen 2.964 N/A THR 59.A N GLU 56.A O no hydrogen 3.356 N/A THR 59.A OG1 GLU 56.A O no hydrogen 3.050 N/A ARG 60.A N ALA 57.A O no hydrogen 3.130 N/A PHE 61.A N LEU 58.A O no hydrogen 3.180 N/A TRP 66.A N GLY 62.A O no hydrogen 3.077 N/A TRP 66.A NE1 SER 49.A O no hydrogen 3.035 N/A TRP 67.A N PRO 63.A O no hydrogen 2.682 N/A GLN 68.A N GLU 64.A O no hydrogen 3.266 N/A GLN 68.A NE2 GLN 68.A O no hydrogen 3.623 N/A GLN 68.A NE2 ASN 72.A OD1 no hydrogen 3.310 N/A ASP 69.A N ALA 65.A O no hydrogen 3.026 N/A VAL 70.A N TRP 66.A O no hydrogen 2.872 N/A MET 71.A N TRP 67.A O no hydrogen 2.933 N/A ASN 72.A N GLN 68.A O no hydrogen 2.929 N/A GLY 73.A N ASP 69.A O no hydrogen 2.913 N/A TYR 74.A N VAL 70.A O no hydrogen 2.944 N/A TYR 74.A OH PRO 105.A O no hydrogen 2.866 N/A GLU 75.A N MET 71.A O no hydrogen 2.749 N/A PHE 76.A N ASN 72.A O no hydrogen 2.683 N/A LEU 77.A N GLY 73.A O no hydrogen 3.356 N/A LEU 77.A N TYR 74.A O no hydrogen 3.004 N/A LYS 78.A N TYR 74.A O no hydrogen 3.006 N/A ASN 79.A N GLU 75.A O no hydrogen 2.784 N/A LYS 80.A N LEU 77.A O no hydrogen 3.002 N/A GLY 81.A N LYS 78.A O no hydrogen 2.951 N/A TYR 82.A N LEU 77.A O no hydrogen 3.266 N/A TYR 82.A OH THR 42.A OG1 no hydrogen 3.420 N/A ALA 86.A N ALA 15.A O no hydrogen 2.906 N/A VAL 87.A N GLY 108.A O no hydrogen 2.816 N/A ALA 88.A N LEU 17.A O no hydrogen 2.852 N/A GLY 89.A N VAL 110.A O no hydrogen 3.006 N/A LEU 90.A N LEU 19.A O no hydrogen 2.911 N/A SER 91.A N MET 112.A O no hydrogen 2.729 N/A SER 91.A OG HIS 220.A NE2 no hydrogen 2.951 N/A GLY 93.A N LEU 90.A O no hydrogen 2.748 N/A GLY 94.A N SER 91.A O no hydrogen 2.697 N/A VAL 95.A N SER 91.A O no hydrogen 3.248 N/A VAL 95.A N LEU 92.A O no hydrogen 2.845 N/A PHE 96.A N LEU 92.A O no hydrogen 2.998 N/A SER 97.A N GLY 93.A O no hydrogen 2.799 N/A SER 97.A OG GLY 93.A O no hydrogen 2.716 N/A LEU 98.A N GLY 94.A O no hydrogen 3.222 N/A LYS 99.A N VAL 95.A O no hydrogen 3.023 N/A LEU 100.A N PHE 96.A O no hydrogen 2.849 N/A GLY 101.A N SER 97.A O no hydrogen 2.963 N/A TYR 102.A N LYS 99.A O no hydrogen 3.018 N/A THR 103.A N LEU 100.A O no hydrogen 2.872 N/A THR 103.A OG1 LYS 99.A O no hydrogen 2.796 N/A VAL 104.A N LEU 100.A O no hydrogen 2.999 N/A GLU 107.A N ILE 85.A O no hydrogen 2.852 N/A ILE 109.A N PRO 181.A O no hydrogen 2.896 N/A VAL 110.A N VAL 87.A O no hydrogen 2.887 N/A THR 111.A N PHE 183.A O no hydrogen 3.042 N/A MET 112.A N GLY 89.A O no hydrogen 2.902 N/A CYS 113.A N VAL 185.A O no hydrogen 2.811 N/A CYS 113.A SG HIS 220.A O no hydrogen 3.467 N/A MET 116.A N SER 197.A OG no hydrogen 2.908 N/A TYR 117.A OH ASP 196.A OD2 no hydrogen 2.379 N/A SER 120.A OG THR 123.A OG1 no hydrogen 2.848 N/A THR 123.A N SER 120.A OG no hydrogen 3.040 N/A THR 123.A OG1 SER 120.A OG no hydrogen 2.848 N/A MET 124.A N SER 120.A O no hydrogen 2.976 N/A TYR 125.A N GLU 121.A O no hydrogen 2.897 N/A GLU 126.A N GLU 122.A O no hydrogen 3.054 N/A GLU 126.A N THR 123.A O no hydrogen 2.886 N/A GLY 127.A N THR 123.A O no hydrogen 3.210 N/A VAL 128.A N MET 124.A O no hydrogen 3.101 N/A LEU 129.A N TYR 125.A O no hydrogen 2.920 N/A GLU 130.A N GLU 126.A O no hydrogen 2.940 N/A TYR 131.A N GLY 127.A O no hydrogen 2.948 N/A ALA 132.A N VAL 128.A O no hydrogen 2.917 N/A ARG 133.A N LEU 129.A O no hydrogen 2.765 N/A ARG 133.A NH1 GLU 147.A OE1 no hydrogen 2.687 N/A ARG 133.A NH1 GLU 147.A OE2 no hydrogen 3.260 N/A ARG 133.A NH2 GLU 147.A OE1 no hydrogen 3.503 N/A ARG 133.A NH2 GLU 147.A OE2 no hydrogen 3.101 N/A GLU 134.A N GLU 130.A O no hydrogen 3.225 N/A TYR 135.A N TYR 131.A O no hydrogen 2.941 N/A LYS 136.A N ALA 132.A O no hydrogen 2.846 N/A LYS 136.A NZ GLU 56.A OE1 no hydrogen 3.386 N/A LYS 136.A NZ GLU 56.A OE2 no hydrogen 2.796 N/A LYS 136.A NZ GLU 149.A OE1 no hydrogen 2.721 N/A LYS 137.A N ARG 133.A O no hydrogen 2.969 N/A ARG 138.A N GLU 134.A O no hydrogen 2.958 N/A GLU 139.A N LYS 136.A O no hydrogen 2.987 N/A GLY 140.A N LYS 137.A O no hydrogen 3.142 N/A LYS 141.A NZ GLU 139.A OE1 no hydrogen 2.974 N/A LYS 141.A NZ GLU 149.A OE1 no hydrogen 2.465 N/A LYS 141.A NZ GLU 149.A OE2 no hydrogen 2.795 N/A GLN 145.A NE2 GLU 149.A OE2 no hydrogen 3.295 N/A ILE 146.A N SER 142.A O no hydrogen 3.007 N/A GLU 147.A N GLU 143.A O no hydrogen 3.099 N/A GLN 148.A N GLU 144.A O no hydrogen 3.314 N/A GLN 148.A N GLN 145.A O no hydrogen 3.288 N/A GLU 149.A N GLN 145.A O no hydrogen 3.130 N/A MET 150.A N ILE 146.A O no hydrogen 2.908 N/A GLU 151.A N GLN 148.A O no hydrogen 3.020 N/A PHE 153.A N GLU 149.A O no hydrogen 3.146 N/A LYS 154.A N MET 150.A O no hydrogen 3.367 N/A GLN 155.A N LYS 152.A O no hydrogen 2.988 N/A THR 156.A N PHE 153.A O no hydrogen 3.075 N/A THR 160.A OG1 PHE 61.A O no hydrogen 2.502 N/A LYS 162.A N LEU 159.A O no hydrogen 3.335 N/A LEU 164.A N THR 160.A O no hydrogen 3.086 N/A GLN 165.A N LEU 161.A O no hydrogen 3.303 N/A GLN 165.A NE2 LYS 119.A O no hydrogen 2.818 N/A GLU 166.A N LYS 162.A O no hydrogen 3.194 N/A LEU 167.A N ALA 163.A O no hydrogen 2.867 N/A ILE 168.A N LEU 164.A O no hydrogen 3.137 N/A ALA 169.A N GLN 165.A O no hydrogen 3.072 N/A ASP 170.A N GLU 166.A O no hydrogen 2.794 N/A VAL 171.A N LEU 167.A O no hydrogen 3.005 N/A ARG 172.A N ILE 168.A O no hydrogen 3.043 N/A ASP 173.A N ALA 169.A O no hydrogen 2.996 N/A HIS 174.A N VAL 171.A O no hydrogen 2.736 N/A HIS 174.A NE2 ASP 170.A OD1 no hydrogen 3.104 N/A LEU 175.A N ARG 172.A O no hydrogen 3.247 N/A LEU 177.A N HIS 174.A O no hydrogen 2.866 N/A ILE 178.A N LEU 175.A O no hydrogen 2.983 N/A THR 182.A N VAL 209.A O no hydrogen 3.067 N/A THR 182.A OG1 ALA 180.A O no hydrogen 2.913 N/A PHE 183.A N ILE 109.A O no hydrogen 2.661 N/A VAL 184.A N GLN 211.A O no hydrogen 2.807 N/A VAL 185.A N THR 111.A O no hydrogen 2.821 N/A GLN 186.A N LYS 213.A O no hydrogen 3.070 N/A GLN 186.A NE2 ALA 187.A O no hydrogen 2.984 N/A GLN 186.A NE2 ASP 190.A OD2 no hydrogen 3.041 N/A ARG 188.A N TYR 215.A O no hydrogen 2.923 N/A ARG 188.A NE GLU 216.A OE1 no hydrogen 2.917 N/A ARG 188.A NE GLU 216.A OE2 no hydrogen 3.092 N/A ARG 188.A NH2 GLU 216.A OE2 no hydrogen 2.648 N/A ASP 190.A N ALA 187.A O no hydrogen 3.293 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.545 N/A MET 192.A N ASP 190.A OD1 no hydrogen 2.726 N/A ILE 193.A N ASP 190.A OD1 no hydrogen 2.811 N/A ASP 196.A N ASN 194.A OD1 no hydrogen 2.824 N/A SER 197.A N ASN 194.A O no hydrogen 3.010 N/A SER 197.A OG ASN 194.A O no hydrogen 2.961 N/A ALA 198.A N PRO 195.A O no hydrogen 3.087 N/A ASN 199.A ND2 ASP 196.A OD1 no hydrogen 2.965 N/A ILE 200.A N ASP 196.A O no hydrogen 3.191 N/A ILE 201.A N SER 197.A O no hydrogen 3.031 N/A TYR 202.A N ALA 198.A O no hydrogen 3.101 N/A ASN 203.A N ASN 199.A O no hydrogen 2.843 N/A GLU 204.A N ILE 200.A O no hydrogen 2.914 N/A GLU 204.A N ILE 201.A O no hydrogen 3.198 N/A ILE 205.A N ILE 201.A O no hydrogen 3.147 N/A GLU 206.A N ILE 178.A O no hydrogen 2.797 N/A SER 207.A OG ILE 178.A O no hydrogen 3.426 N/A SER 207.A OG ALA 180.A O no hydrogen 2.559 N/A LYS 210.A NZ TYR 202.A O no hydrogen 2.690 N/A GLN 211.A N THR 182.A O no hydrogen 2.943 N/A LYS 213.A N VAL 184.A O no hydrogen 2.826 N/A TYR 215.A N GLN 186.A O no hydrogen 2.905 N/A TYR 215.A OH ASP 234.A OD2 no hydrogen 2.635 N/A GLN 217.A N GLU 227.A OE2 no hydrogen 2.856 N/A SER 218.A OG GLU 227.A OE2 no hydrogen 2.691 N/A GLY 219.A N ASP 225.A OD2 no hydrogen 2.925 N/A HIS 220.A N GLU 191.A OE1 no hydrogen 2.897 N/A HIS 220.A N GLU 191.A OE2 no hydrogen 3.423 N/A HIS 220.A ND1 ASP 190.A OD2 no hydrogen 2.563 N/A HIS 220.A NE2 SER 91.A OG no hydrogen 2.951 N/A ILE 222.A N HIS 220.A O no hydrogen 2.662 N/A THR 223.A OG1 ASP 28.A O no hydrogen 2.617 N/A LEU 224.A N VAL 221.A O no hydrogen 3.137 N/A ASP 225.A N ILE 222.A O no hydrogen 3.321 N/A GLN 226.A N ASP 225.A OD1 no hydrogen 2.708 N/A LYS 228.A N ASP 225.A O no hydrogen 3.107 N/A LYS 228.A NZ ASP 229.A OD1 no hydrogen 3.355 N/A LEU 231.A N GLU 227.A O no hydrogen 2.926 N/A HIS 232.A N LYS 228.A O no hydrogen 2.875 N/A GLU 233.A N ASP 229.A O no hydrogen 3.178 N/A ASP 234.A N GLN 230.A O no hydrogen 2.831 N/A ILE 235.A N LEU 231.A O no hydrogen 3.011 N/A TYR 236.A N HIS 232.A O no hydrogen 2.968 N/A ALA 237.A N GLU 233.A O no hydrogen 2.964 N/A PHE 238.A N ASP 234.A O no hydrogen 3.138 N/A LEU 239.A N ILE 235.A O no hydrogen 2.946 N/A GLU 240.A N TYR 236.A O no hydrogen 2.881 N/A SER 241.A N ALA 237.A O no hydrogen 3.104 N/A SER 241.A N PHE 238.A O no hydrogen 2.899 N/A SER 241.A OG PHE 238.A O no hydrogen 2.470 N/A LEU 242.A N LEU 239.A O no hydrogen 2.995 N/A TRP 244.A N GLU 107.A OE2 no hydrogen 2.988 N/A TRP 244.A NE1 LEU 239.A O no hydrogen 2.963 N/A