Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x1q_U.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 141.A O no hydrogen 3.071 N/A ILE 1.A N LYS 142.A O no hydrogen 2.963 N/A ILE 1.A N ASP 197.A OD1 no hydrogen 3.396 N/A ILE 1.A N ASP 197.A OD2 no hydrogen 2.684 N/A ILE 2.A N ASP 192.A O no hydrogen 2.892 N/A GLU 5.A N MET 156.A O no hydrogen 2.956 N/A THR 7.A N LEU 154.A O no hydrogen 3.141 N/A THR 8.A OG1 GLU 10.A OE1 no hydrogen 2.733 N/A ILE 9.A N SER 64.A OG no hydrogen 2.668 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.735 N/A ASN 11.A N THR 8.A O no hydrogen 2.998 N/A GLN 12.A N ILE 9.A O no hydrogen 2.838 N/A GLN 12.A NE2 GLU 136.A OE1 no hydrogen 2.792 N/A PHE 15.A N GLN 12.A O no hydrogen 2.936 N/A ALA 16.A N GLY 33.A O no hydrogen 2.938 N/A ALA 17.A N TYR 60.A O no hydrogen 2.832 N/A ILE 18.A N CYS 31.A O.A no hydrogen 3.046 N/A ILE 18.A N CYS 31.A O.B no hydrogen 3.073 N/A TYR 19.A N ILE 58.A O no hydrogen 2.779 N/A TYR 19.A OH LEU 66.A O no hydrogen 2.706 N/A ARG 20.A N THR 28.A O no hydrogen 2.728 N/A ARG 20.A NH2 CYS 47.A O no hydrogen 3.533 N/A ARG 20.A NH2 TYR 57.A OH no hydrogen 3.134 N/A ARG 21.A N ASP 56.A O no hydrogen 2.604 N/A ARG 21.A NH1 GLU 77.A OE1 no hydrogen 3.100 N/A ARG 21.A NH1 GLU 77.A OE2 no hydrogen 2.986 N/A ARG 21.A NH2 GLU 77.A OE1 no hydrogen 2.761 N/A ARG 21.A NH2 GLU 55A.A O no hydrogen 2.965 N/A HIS 22.A N SER 26D.A O no hydrogen 2.530 N/A HIS 22.A NE2 THR 28.A OG1 no hydrogen 2.763 N/A THR 28.A N ARG 20.A O no hydrogen 2.946 N/A THR 28.A OG1 ARG 20.A O no hydrogen 3.545 N/A THR 28.A OG1 HIS 22.A NE2 no hydrogen 2.763 N/A VAL 30.A N ILE 18.A O no hydrogen 2.700 N/A CYS 31.A N.A ILE 18.A O no hydrogen 3.301 N/A CYS 31.A N.B ILE 18.A O no hydrogen 3.330 N/A CYS 31.A SG.A VAL 30.A O no hydrogen 3.204 N/A CYS 31.A SG.A SER 198.A O no hydrogen 3.435 N/A CYS 31.A SG.A SER 198.A OG no hydrogen 3.271 N/A CYS 31.A SG.B GLY 32.A O no hydrogen 3.621 N/A CYS 31.A SG.B SER 43.A OG no hydrogen 3.553 N/A GLY 32.A N SER 198.A O no hydrogen 3.023 N/A SER 34.A N ILE 42.A O no hydrogen 2.937 N/A LEU 35.A N TRP 14.A O no hydrogen 2.790 N/A ILE 36.A N TRP 40.A O no hydrogen 3.065 N/A TRP 40.A N SER 37.A O no hydrogen 3.281 N/A VAL 41.A N LEU 101.A O no hydrogen 2.812 N/A ILE 42.A N SER 34.A O no hydrogen 2.901 N/A SER 43.A N ALA 99.A O no hydrogen 2.944 N/A SER 43.A OG GLY 32.A O no hydrogen 2.800 N/A THR 45.A OG1 ILE 98.A O no hydrogen 2.605 N/A HIS 46.A N ASP 97.A OD1 no hydrogen 2.913 N/A HIS 46.A ND1 ASP 97.A OD1 no hydrogen 3.140 N/A HIS 46.A ND1 ASP 97.A OD2 no hydrogen 2.373 N/A CYS 47.A N ALA 44.A O no hydrogen 3.225 N/A CYS 47.A SG SER 198.A O no hydrogen 3.993 N/A PHE 48.A N THR 45.A O no hydrogen 3.021 N/A LYS 54.A NZ GLU 79.A O no hydrogen 3.083 N/A ASP 56.A N LYS 53.A O no hydrogen 3.081 N/A TYR 57.A OH TYR 51B.A O no hydrogen 2.734 N/A ILE 58.A N TYR 19.A O no hydrogen 3.000 N/A VAL 59.A N PHE 76.A O no hydrogen 3.035 N/A TYR 60.A N ALA 17.A O no hydrogen 2.766 N/A LEU 61.A N MET 74.A O no hydrogen 3.059 N/A ARG 63.A NE TYR 19.A OH no hydrogen 3.243 N/A ARG 63.A NH1 GLU 73.A OE1 no hydrogen 2.944 N/A ARG 63.A NH2 TYR 19.A OH no hydrogen 3.550 N/A ARG 63.A NH2 LEU 66.A O no hydrogen 3.352 N/A SER 64.A N THR 70.A OG1 no hydrogen 2.969 N/A ARG 65.A NH1 GLN 153.A OE1 no hydrogen 2.710 N/A ARG 65.A NH2 GLU 152.A OE1 no hydrogen 3.445 N/A LEU 66.A N GLU 152.A O no hydrogen 3.018 N/A ASN 67.A N GLU 152.A OE1 no hydrogen 3.418 N/A ASN 67.A ND2 GLU 152.A OE2 no hydrogen 2.641 N/A ASN 69.A ND2 GLU 73.A OE2 no hydrogen 2.720 N/A THR 70.A N GLU 73.A OE1 no hydrogen 3.036 N/A GLU 73.A N THR 70.A O no hydrogen 3.320 N/A MET 74.A N LEU 61.A O no hydrogen 2.970 N/A PHE 76.A N VAL 59.A O no hydrogen 2.723 N/A GLU 77.A N ARG 104.A O no hydrogen 2.888 N/A GLU 79.A N LYS 102.A O no hydrogen 2.689 N/A ILE 82.A N LEU 100.A O no hydrogen 2.783 N/A HIS 84.A N THR 45.A OG1 no hydrogen 3.178 N/A LYS 85.A NZ HIS 244.A NE2 no hydrogen 2.961 N/A ASP 86.A N HIS 84.A ND1 no hydrogen 3.064 N/A TYR 87.A N HIS 84.A O no hydrogen 3.242 N/A SER 88.A N HIS 95.A O no hydrogen 3.229 N/A ASP 90.A N ALA 93.A O no hydrogen 2.784 N/A HIS 95.A N SER 88.A O no hydrogen 2.746 N/A ASN 96.A ND2 ASP 86.A O no hydrogen 2.872 N/A ILE 98.A N ASN 96.A O no hydrogen 2.953 N/A ALA 99.A N SER 43.A O no hydrogen 2.852 N/A LEU 100.A N ILE 82.A O no hydrogen 2.814 N/A LEU 101.A N VAL 41.A O no hydrogen 2.805 N/A LYS 102.A N ASN 80.A O no hydrogen 2.930 N/A LYS 102.A NZ GLU 79.A OE2 no hydrogen 2.646 N/A ILE 103.A N CYS 39.A O no hydrogen 2.722 N/A ARG 104.A N GLU 77.A O no hydrogen 3.067 N/A ARG 104.A NH1 GLY 108C.A O no hydrogen 3.110 N/A SER 105.A N ARG 109D.A O no hydrogen 2.872 N/A SER 105.A OG ARG 109D.A O no hydrogen 3.327 N/A CYS 110.A SG ILE 103.A O no hydrogen 3.680 N/A ALA 111.A N PRO 38.A O no hydrogen 3.115 N/A SER 114.A N ILE 117.A O no hydrogen 2.862 N/A ARG 115.A NH1 GLU 10.A OE2 no hydrogen 3.396 N/A ARG 115.A NH2 GLU 10.A OE2 no hydrogen 3.045 N/A ILE 117.A N SER 114.A O no hydrogen 3.474 N/A GLN 118.A N PRO 13.A O no hydrogen 3.161 N/A GLN 118.A NE2 SER 114.A O no hydrogen 2.778 N/A ILE 120.A N LEU 35.A O no hydrogen 2.797 N/A TYR 126.A N SER 235.A O no hydrogen 3.136 N/A ASN 127.A N SER 124.A O no hydrogen 2.881 N/A GLY 132.A N LEU 161.A O no hydrogen 2.729 N/A THR 133.A N GLN 130.A O no hydrogen 3.123 N/A THR 133.A OG1 GLN 130.A O no hydrogen 2.669 N/A CYS 135.A N VAL 159.A O no hydrogen 2.673 N/A CYS 135.A SG THR 133.A O no hydrogen 3.597 N/A GLU 136.A N VAL 203.A O no hydrogen 2.831 N/A ILE 137.A N THR 157.A O no hydrogen 2.924 N/A GLY 139.A N LYS 155.A O no hydrogen 2.928 N/A GLY 141.A N ASP 197.A OD1 no hydrogen 2.698 N/A LYS 142.A N GLN 195.A O no hydrogen 3.038 N/A LYS 142.A NZ ASP 147.A O no hydrogen 2.744 N/A LYS 142.A NZ GLN 195.A OE1 no hydrogen 3.144 N/A ASP 147.A N GLN 144.A O no hydrogen 3.001 N/A GLN 153.A NE2 THR 7.A O no hydrogen 2.722 N/A LEU 154.A N SER 64.A O no hydrogen 3.050 N/A LYS 155.A N GLY 139.A O no hydrogen 2.981 N/A LYS 155.A NZ ILE 1.A O no hydrogen 3.019 N/A LYS 155.A NZ GLY 3.A O no hydrogen 2.696 N/A LYS 155.A NZ GLU 143.A OE2 no hydrogen 2.993 N/A MET 156.A N GLU 5.A O no hydrogen 3.035 N/A THR 157.A N ILE 137.A O no hydrogen 2.886 N/A THR 157.A OG1 THR 191.A OG1 no hydrogen 2.709 N/A VAL 159.A N CYS 135.A O no hydrogen 2.860 N/A LYS 160.A N ALA 185.A O no hydrogen 3.004 N/A LEU 161.A N THR 133.A O no hydrogen 2.994 N/A ILE 162.A N CYS 183.A O no hydrogen 2.953 N/A GLU 166.A N SER 163.A O no hydrogen 3.082 N/A GLU 166.A N SER 163.A OG no hydrogen 3.097 N/A CYS 167.A N SER 163.A O no hydrogen 2.785 N/A GLN 168.A N HIS 164.A O no hydrogen 2.893 N/A GLN 169.A N GLU 166.A O no hydrogen 3.419 N/A TYR 172.A OH GLU 166.A OE2 no hydrogen 3.228 N/A TYR 173.A OH PRO 228.A O no hydrogen 2.760 N/A GLY 174.A N GLN 169.A O no hydrogen 3.096 N/A LYS 180.A N THR 178.A OG1 no hydrogen 3.186 N/A MET 181.A N THR 178.A O no hydrogen 3.230 N/A LEU 182.A N TYR 231.A O no hydrogen 2.930 N/A ALA 184.A N GLY 229.A O no hydrogen 3.069 N/A ALA 185.A N LYS 160.A O no hydrogen 3.032 N/A TRP 189.A N ASP 186.A O no hydrogen 2.892 N/A LYS 190.A N ASP 186.A OD2 no hydrogen 3.063 N/A THR 191.A OG1 ILE 2.A O no hydrogen 2.384 N/A THR 191.A OG1 THR 157.A OG1 no hydrogen 2.709 N/A ASP 192.A N ILE 2.A O no hydrogen 3.277 N/A SER 193.A N ASP 192.A OD1 no hydrogen 2.805 N/A SER 193.A OG TYR 231.A OH no hydrogen 3.421 N/A CYS 194.A N ASP 197.A OD2 no hydrogen 2.789 N/A ASP 197.A N CYS 194.A O no hydrogen 2.860 N/A SER 198.A OG HIS 46.A NE2 no hydrogen 3.148 N/A GLY 199.A N VAL 216.A O no hydrogen 2.859 N/A GLY 200.A N ASP 197.A O no hydrogen 3.153 N/A LEU 202.A N GLY 214.A O no hydrogen 2.822 N/A VAL 203.A N GLU 136.A O no hydrogen 2.731 N/A CYS 204.A N THR 211.A O no hydrogen 2.854 N/A LEU 206.A N ARG 209.A O no hydrogen 2.757 N/A GLN 207.A NE2 ASN 127.A OD1 no hydrogen 2.611 N/A THR 211.A N CYS 204.A O no hydrogen 2.633 N/A THR 211.A OG1 ARG 209.A O no hydrogen 3.338 N/A LEU 212.A N ALA 121.A O no hydrogen 2.914 N/A THR 213.A N LEU 202.A O no hydrogen 2.905 N/A GLY 214.A N LEU 202.A O no hydrogen 3.170 N/A ILE 215.A N THR 232.A O no hydrogen 3.085 N/A VAL 216.A N GLY 200.A O no hydrogen 2.903 N/A SER 217.A N VAL 230.A O no hydrogen 3.087 N/A SER 217.A OG ASP 97.A OD2 no hydrogen 2.650 N/A TRP 218.A N VAL 230.A O no hydrogen 3.087 N/A ARG 220.A N TYR 173.A OH no hydrogen 2.908 N/A CYS 222.A SG SER 145.A OG no hydrogen 3.589 N/A ALA 223.A N ASP 192.A OD2 no hydrogen 2.835 N/A LYS 227.A N LEU 224.A O no hydrogen 2.944 N/A LYS 227.A NZ HIS 171B.A O no hydrogen 2.628 N/A VAL 230.A N TRP 218.A O no hydrogen 2.605 N/A TYR 231.A N LEU 182.A O no hydrogen 2.821 N/A THR 232.A N ILE 215.A O no hydrogen 2.817 N/A THR 232.A OG1 ASP 97.A O no hydrogen 2.613 N/A ARG 233.A N LYS 180.A O no hydrogen 3.164 N/A ARG 233.A NE ASP 128.A OD2 no hydrogen 2.482 N/A ARG 233.A NH1 THR 179.A O no hydrogen 3.213 N/A ARG 233.A NH2 ASP 128.A OD2 no hydrogen 3.053 N/A VAL 234.A N THR 213.A O no hydrogen 3.136 N/A SER 235.A OG ASP 128.A OD1 no hydrogen 3.080 N/A SER 235.A OG HIS 236.A ND1 no hydrogen 3.328 N/A HIS 236.A N ARG 233.A O no hydrogen 3.042 N/A PHE 237.A N VAL 234.A O no hydrogen 2.830 N/A ILE 241.A N PHE 237.A O no hydrogen 2.780 N/A ARG 242.A N LEU 238.A O no hydrogen 2.616 N/A SER 243.A N PRO 239.A O no hydrogen 2.792 N/A SER 243.A OG TRP 240.A O no hydrogen 3.079 N/A HIS 244.A N TRP 240.A O no hydrogen 3.310 N/A HIS 244.A ND1 TRP 240.A O no hydrogen 2.878 N/A THR 245.A N ILE 241.A O no hydrogen 3.025 N/A THR 245.A OG1 ILE 241.A O no hydrogen 2.729 N/A LYS 246.A N ARG 242.A O no hydrogen 2.856 N/A TYR 51B.A N PHE 48.A O no hydrogen 3.219 N/A HIS 171B.A N HIS 171B.A ND1 no hydrogen 2.888 N/A GLN 188B.A N ASP 186.A OD2 no hydrogen 3.312 N/A GLY 25C.A N HIS 22.A O no hydrogen 3.004 N/A GLY 108C.A N SER 105.A O no hydrogen 2.705 N/A ARG 109D.A N SER 105.A OG no hydrogen 3.284 N/A