Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x1r_U.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 141.A O no hydrogen 2.993 N/A ILE 1.A N LYS 142.A O no hydrogen 2.912 N/A ILE 1.A N ASP 197.A OD1 no hydrogen 3.553 N/A ILE 1.A N ASP 197.A OD2 no hydrogen 2.712 N/A ILE 2.A N ASP 192.A O no hydrogen 2.781 N/A GLU 5.A N MET 156.A O no hydrogen 2.968 N/A THR 7.A N LEU 154.A O no hydrogen 2.944 N/A THR 8.A OG1 GLU 10.A OE1 no hydrogen 2.719 N/A ILE 9.A N SER 64.A OG no hydrogen 2.630 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.716 N/A ASN 11.A N THR 8.A O no hydrogen 3.124 N/A ASN 11.A ND2 THR 7.A OG1 no hydrogen 3.279 N/A GLN 12.A N ILE 9.A O no hydrogen 2.774 N/A GLN 12.A NE2 GLU 136.A OE1 no hydrogen 3.410 N/A PHE 15.A N GLN 12.A O no hydrogen 2.883 N/A ALA 16.A N GLY 33.A O no hydrogen 2.916 N/A ALA 17.A N TYR 60.A O no hydrogen 2.889 N/A ILE 18.A N CYS 31.A O no hydrogen 2.964 N/A TYR 19.A N ILE 58.A O no hydrogen 2.928 N/A TYR 19.A OH LEU 66.A O no hydrogen 2.617 N/A ARG 20.A N THR 28.A O no hydrogen 2.909 N/A ARG 20.A NH2 TYR 57.A OH no hydrogen 3.286 N/A ARG 21.A N ASP 56.A O no hydrogen 2.556 N/A ARG 21.A NH1 GLU 77.A OE2 no hydrogen 2.938 N/A ARG 21.A NH2 GLU 77.A OE1 no hydrogen 2.864 N/A ARG 21.A NH2 GLU 55A.A O no hydrogen 3.154 N/A HIS 22.A N SER 26D.A O no hydrogen 2.419 N/A HIS 22.A NE2 THR 28.A OG1 no hydrogen 2.563 N/A THR 28.A N ARG 20.A O no hydrogen 3.206 N/A THR 28.A OG1 HIS 22.A NE2 no hydrogen 2.563 N/A VAL 30.A N ILE 18.A O no hydrogen 2.664 N/A CYS 31.A N ILE 18.A O no hydrogen 3.273 N/A CYS 31.A SG VAL 30.A O no hydrogen 3.108 N/A CYS 31.A SG SER 198.A O no hydrogen 3.631 N/A CYS 31.A SG SER 198.A OG no hydrogen 3.216 N/A GLY 32.A N SER 198.A O no hydrogen 2.981 N/A SER 34.A N ILE 42.A O no hydrogen 2.883 N/A LEU 35.A N TRP 14.A O no hydrogen 2.843 N/A ILE 36.A N TRP 40.A O no hydrogen 2.960 N/A SER 37.A N TRP 40.A O no hydrogen 3.363 N/A TRP 40.A N SER 37.A O no hydrogen 3.000 N/A VAL 41.A N LEU 101.A O no hydrogen 2.885 N/A ILE 42.A N SER 34.A O no hydrogen 2.788 N/A SER 43.A N ALA 99.A O no hydrogen 2.955 N/A SER 43.A OG GLY 32.A O no hydrogen 2.658 N/A THR 45.A OG1 ILE 98.A O no hydrogen 2.431 N/A HIS 46.A N ASP 97.A OD1 no hydrogen 3.013 N/A HIS 46.A ND1 ASP 97.A OD1 no hydrogen 3.118 N/A HIS 46.A ND1 ASP 97.A OD2 no hydrogen 2.535 N/A HIS 46.A NE2 SER 198.A OG no hydrogen 3.052 N/A CYS 47.A N ALA 44.A O no hydrogen 3.360 N/A CYS 47.A SG ALA 44.A O no hydrogen 3.585 N/A PHE 48.A N THR 45.A O no hydrogen 3.045 N/A LYS 53.A N TYR 51B.A O no hydrogen 3.050 N/A LYS 54.A NZ GLU 79.A O no hydrogen 2.608 N/A ASP 56.A N LYS 53.A O no hydrogen 3.253 N/A TYR 57.A N LYS 54.A O no hydrogen 3.365 N/A TYR 57.A OH TYR 51B.A O no hydrogen 2.585 N/A ILE 58.A N TYR 19.A O no hydrogen 3.024 N/A VAL 59.A N PHE 76.A O no hydrogen 2.827 N/A TYR 60.A N ALA 17.A O no hydrogen 2.844 N/A LEU 61.A N MET 74.A O no hydrogen 3.027 N/A ARG 63.A NE TYR 19.A OH no hydrogen 3.155 N/A ARG 63.A NE ARG 65.A O no hydrogen 3.119 N/A ARG 63.A NH1 GLU 73.A OE1 no hydrogen 3.282 N/A ARG 63.A NH1 GLU 73.A OE2 no hydrogen 3.432 N/A ARG 63.A NH2 TYR 19.A OH no hydrogen 3.418 N/A ARG 63.A NH2 LEU 66.A O no hydrogen 3.291 N/A SER 64.A N THR 70.A OG1 no hydrogen 2.747 N/A ARG 65.A NE SER 68.A OG no hydrogen 3.427 N/A ARG 65.A NH1 GLN 153.A OE1 no hydrogen 2.724 N/A LEU 66.A N GLU 152.A O no hydrogen 2.828 N/A ASN 67.A N GLU 152.A OE1 no hydrogen 3.072 N/A ASN 67.A ND2 GLU 152.A OE2 no hydrogen 2.399 N/A ASN 69.A ND2 GLU 73.A OE2 no hydrogen 2.724 N/A THR 70.A N GLU 73.A OE1 no hydrogen 2.906 N/A GLY 72.A N GLN 71.A OE1 no hydrogen 3.109 N/A GLU 73.A N THR 70.A O no hydrogen 3.392 N/A MET 74.A N LEU 61.A O no hydrogen 2.956 N/A PHE 76.A N VAL 59.A O no hydrogen 2.701 N/A GLU 77.A N ARG 104.A O no hydrogen 2.968 N/A GLU 79.A N LYS 102.A O no hydrogen 2.612 N/A ILE 82.A N LEU 100.A O no hydrogen 2.702 N/A HIS 84.A N THR 45.A OG1 no hydrogen 3.152 N/A LYS 85.A NZ HIS 244.A NE2 no hydrogen 3.292 N/A ASP 86.A N HIS 84.A ND1 no hydrogen 3.152 N/A TYR 87.A N HIS 84.A O no hydrogen 3.128 N/A SER 88.A N HIS 95.A O no hydrogen 3.273 N/A ASP 90.A N ALA 93.A O no hydrogen 2.809 N/A HIS 95.A N SER 88.A O no hydrogen 2.875 N/A ASN 96.A ND2 ASP 86.A O no hydrogen 2.997 N/A ILE 98.A N ASN 96.A O no hydrogen 2.884 N/A ALA 99.A N SER 43.A O no hydrogen 2.927 N/A LEU 100.A N ILE 82.A O no hydrogen 2.828 N/A LEU 101.A N VAL 41.A O no hydrogen 2.849 N/A LYS 102.A N ASN 80.A O no hydrogen 2.916 N/A LYS 102.A NZ GLU 79.A OE2 no hydrogen 3.233 N/A ILE 103.A N CYS 39.A O no hydrogen 2.820 N/A ARG 104.A N GLU 77.A O no hydrogen 2.988 N/A ARG 104.A NH1 GLY 108C.A O no hydrogen 1.875 N/A SER 105.A N ARG 109D.A O no hydrogen 2.883 N/A CYS 110.A SG ILE 103.A O no hydrogen 3.773 N/A ALA 111.A N PRO 38.A O no hydrogen 2.798 N/A SER 114.A N ILE 117.A O no hydrogen 2.847 N/A SER 114.A OG THR 116.A OG1 no hydrogen 3.090 N/A THR 116.A N SER 114.A OG no hydrogen 2.900 N/A THR 116.A OG1 GLY 72.A O no hydrogen 3.402 N/A THR 116.A OG1 SER 114.A OG no hydrogen 3.090 N/A ILE 117.A N SER 114.A O no hydrogen 3.388 N/A GLN 118.A N PRO 13.A O no hydrogen 3.054 N/A GLN 118.A NE2 SER 114.A O no hydrogen 2.956 N/A ILE 120.A N LEU 35.A O no hydrogen 2.824 N/A TYR 126.A N SER 235.A O no hydrogen 3.178 N/A ASN 127.A N SER 124.A O no hydrogen 2.807 N/A GLY 132.A N LEU 161.A O no hydrogen 2.781 N/A THR 133.A N GLN 130.A O no hydrogen 3.106 N/A THR 133.A OG1 GLN 130.A O no hydrogen 2.509 N/A CYS 135.A N VAL 159.A O no hydrogen 2.726 N/A CYS 135.A SG THR 133.A O no hydrogen 3.785 N/A GLU 136.A N VAL 203.A O no hydrogen 2.743 N/A ILE 137.A N THR 157.A O no hydrogen 3.006 N/A GLY 139.A N LYS 155.A O no hydrogen 2.867 N/A GLY 141.A N ASP 197.A OD1 no hydrogen 2.619 N/A LYS 142.A N GLN 195.A O no hydrogen 2.855 N/A LYS 142.A NZ ASP 147.A O no hydrogen 2.831 N/A LYS 142.A NZ GLN 195.A OE1 no hydrogen 2.899 N/A GLN 144.A NE2 GLU 143.A O no hydrogen 3.222 N/A ASP 147.A N GLN 144.A O no hydrogen 3.124 N/A GLN 153.A NE2 THR 7.A O no hydrogen 2.799 N/A LEU 154.A N SER 64.A O no hydrogen 3.031 N/A LYS 155.A N GLY 139.A O no hydrogen 3.082 N/A LYS 155.A NZ ILE 1.A O no hydrogen 3.096 N/A LYS 155.A NZ GLY 3.A O no hydrogen 2.785 N/A LYS 155.A NZ GLU 143.A OE2 no hydrogen 3.202 N/A MET 156.A N GLU 5.A O no hydrogen 3.038 N/A THR 157.A N ILE 137.A O no hydrogen 2.950 N/A THR 157.A OG1 THR 191.A OG1 no hydrogen 2.777 N/A VAL 159.A N CYS 135.A O no hydrogen 2.966 N/A LYS 160.A N ALA 185.A O no hydrogen 2.917 N/A LEU 161.A N THR 133.A O no hydrogen 3.025 N/A ILE 162.A N CYS 183.A O no hydrogen 2.840 N/A GLU 166.A N SER 163.A OG no hydrogen 2.890 N/A CYS 167.A N SER 163.A O no hydrogen 2.862 N/A GLN 168.A N HIS 164.A O no hydrogen 2.970 N/A GLN 169.A N GLU 166.A O no hydrogen 3.195 N/A TYR 172.A N GLN 169.A O no hydrogen 2.630 N/A TYR 172.A OH GLU 166.A OE2 no hydrogen 2.474 N/A TYR 173.A N CYS 167.A O no hydrogen 3.097 N/A TYR 173.A OH PRO 228.A O no hydrogen 2.846 N/A GLY 174.A N GLN 169.A O no hydrogen 3.374 N/A GLU 176.A N TYR 173.A O no hydrogen 3.202 N/A LYS 180.A N THR 178.A OG1 no hydrogen 3.301 N/A MET 181.A N THR 178.A O no hydrogen 3.210 N/A LEU 182.A N TYR 231.A O no hydrogen 2.839 N/A ALA 184.A N GLY 229.A O no hydrogen 3.144 N/A ALA 185.A N LYS 160.A O no hydrogen 2.935 N/A TRP 189.A N ASP 186.A O no hydrogen 2.708 N/A LYS 190.A N ASP 186.A OD2 no hydrogen 3.245 N/A THR 191.A OG1 ILE 2.A O no hydrogen 2.314 N/A THR 191.A OG1 THR 157.A OG1 no hydrogen 2.777 N/A ASP 192.A N ILE 2.A O no hydrogen 3.075 N/A CYS 194.A N ASP 197.A OD2 no hydrogen 2.870 N/A ASP 197.A N CYS 194.A O no hydrogen 2.981 N/A SER 198.A OG HIS 46.A NE2 no hydrogen 3.052 N/A GLY 199.A N VAL 216.A O no hydrogen 3.009 N/A GLY 200.A N ASP 197.A O no hydrogen 3.127 N/A LEU 202.A N GLY 214.A O no hydrogen 2.808 N/A VAL 203.A N GLU 136.A O no hydrogen 2.778 N/A CYS 204.A N THR 211.A O no hydrogen 2.957 N/A LEU 206.A N ARG 209.A O no hydrogen 2.709 N/A THR 211.A N CYS 204.A O no hydrogen 2.579 N/A THR 211.A OG1 ARG 209.A O no hydrogen 3.534 N/A LEU 212.A N ALA 121.A O no hydrogen 2.837 N/A THR 213.A N LEU 202.A O no hydrogen 2.955 N/A GLY 214.A N LEU 202.A O no hydrogen 3.126 N/A ILE 215.A N THR 232.A O no hydrogen 3.257 N/A VAL 216.A N GLY 200.A O no hydrogen 2.927 N/A SER 217.A N VAL 230.A O no hydrogen 3.157 N/A SER 217.A OG ASP 97.A OD2 no hydrogen 2.715 N/A TRP 218.A N VAL 230.A O no hydrogen 3.233 N/A ARG 220.A N TYR 173.A OH no hydrogen 2.726 N/A CYS 222.A SG SER 193.A O no hydrogen 3.872 N/A ALA 223.A N ASP 192.A OD2 no hydrogen 2.603 N/A LYS 227.A N LEU 224.A O no hydrogen 3.007 N/A LYS 227.A NZ HIS 171B.A O no hydrogen 2.797 N/A GLY 229.A N ALA 184.A O no hydrogen 3.091 N/A VAL 230.A N TRP 218.A O no hydrogen 2.738 N/A TYR 231.A N LEU 182.A O no hydrogen 2.857 N/A THR 232.A N ILE 215.A O no hydrogen 2.809 N/A THR 232.A OG1 ASP 97.A O no hydrogen 2.669 N/A ARG 233.A N LYS 180.A O no hydrogen 2.979 N/A ARG 233.A NE ASP 128.A OD2 no hydrogen 2.698 N/A ARG 233.A NH1 THR 179.A O no hydrogen 3.049 N/A ARG 233.A NH2 ASP 128.A OD2 no hydrogen 2.910 N/A VAL 234.A N THR 213.A O no hydrogen 3.167 N/A SER 235.A OG ASP 128.A OD1 no hydrogen 2.501 N/A SER 235.A OG ASP 128.A OD2 no hydrogen 2.905 N/A SER 235.A OG HIS 236.A ND1 no hydrogen 3.092 N/A HIS 236.A N ARG 233.A O no hydrogen 3.138 N/A HIS 236.A ND1 SER 235.A OG no hydrogen 3.092 N/A PHE 237.A N VAL 234.A O no hydrogen 2.987 N/A ILE 241.A N PHE 237.A O no hydrogen 2.824 N/A ARG 242.A N LEU 238.A O no hydrogen 2.629 N/A SER 243.A N PRO 239.A O no hydrogen 2.834 N/A SER 243.A OG TRP 240.A O no hydrogen 2.915 N/A HIS 244.A N TRP 240.A O no hydrogen 3.268 N/A HIS 244.A ND1 TRP 240.A O no hydrogen 2.841 N/A THR 245.A N ILE 241.A O no hydrogen 2.926 N/A THR 245.A N ARG 242.A O no hydrogen 3.216 N/A THR 245.A OG1 ILE 241.A O no hydrogen 2.531 N/A LYS 246.A N ARG 242.A O no hydrogen 2.853 N/A TYR 51B.A N PHE 48.A O no hydrogen 3.117 N/A GLY 25C.A N HIS 22.A O no hydrogen 2.441 N/A GLY 108C.A N SER 105.A O no hydrogen 2.727 N/A ARG 109D.A N SER 105.A OG no hydrogen 3.131 N/A