Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w68_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLN 1.A O no hydrogen 3.372 N/A LEU 7.A N GLY 3.A O no hydrogen 2.925 N/A ARG 8.A N LEU 4.A O no hydrogen 2.904 N/A ARG 8.A NH1 LEU 23.A O no hydrogen 2.755 N/A ARG 8.A NH2 LEU 23.A O no hydrogen 2.480 N/A ARG 9.A N ALA 5.A O no hydrogen 3.059 N/A ARG 9.A NE GLU 6.A OE2 no hydrogen 3.172 N/A ARG 9.A NH2 GLU 6.A OE2 no hydrogen 3.326 N/A ARG 10.A N GLU 6.A O no hydrogen 2.894 N/A ARG 10.A NE GLU 6.A OE1 no hydrogen 3.125 N/A VAL 11.A N LEU 7.A O no hydrogen 2.791 N/A GLN 12.A N ARG 8.A O no hydrogen 3.158 N/A GLU 13.A N ARG 9.A O no hydrogen 2.990 N/A ALA 14.A N ARG 10.A O no hydrogen 3.060 N/A GLN 21.A NE2 GLU 117.A OE1 no hydrogen 3.519 N/A LEU 23.A N GLN 18.A OE1 no hydrogen 3.366 N/A PHE 27.A N THR 24.A OG1 no hydrogen 3.181 N/A LEU 28.A N THR 24.A O no hydrogen 3.133 N/A LEU 29.A N ASP 25.A O no hydrogen 2.799 N/A ARG 30.A N PHE 27.A O no hydrogen 3.225 N/A ARG 30.A NH1 GLU 117.A OE1 no hydrogen 3.005 N/A ARG 30.A NH2 TYR 245.A OH no hydrogen 3.541 N/A PHE 31.A N LEU 28.A O no hydrogen 3.136 N/A LEU 32.A N LEU 28.A O no hydrogen 3.387 N/A ARG 33.A N LEU 29.A O no hydrogen 2.808 N/A ARG 33.A NH1 GLN 126.A OE1 no hydrogen 2.790 N/A ALA 34.A N ARG 30.A O no hydrogen 3.007 N/A ARG 35.A N LEU 32.A O no hydrogen 3.063 N/A ARG 35.A NE ASP 161.A OD2 no hydrogen 3.207 N/A ARG 35.A NH1 ALA 34.A O no hydrogen 2.913 N/A ARG 35.A NH2 ASP 161.A OD2 no hydrogen 2.532 N/A ASP 36.A N ARG 33.A O no hydrogen 3.246 N/A PHE 37.A N LEU 32.A O no hydrogen 2.800 N/A ASP 38.A N ARG 35.A O no hydrogen 3.006 N/A LEU 41.A N ASP 38.A OD1 no hydrogen 3.012 N/A ALA 42.A N ASP 38.A O no hydrogen 2.833 N/A TRP 43.A N LEU 39.A O no hydrogen 2.806 N/A ARG 44.A N ASP 40.A O no hydrogen 2.870 N/A LEU 45.A N LEU 41.A O no hydrogen 2.907 N/A MET 46.A N ALA 42.A O no hydrogen 2.960 N/A LYS 47.A N TRP 43.A O no hydrogen 3.076 N/A ASN 48.A N ARG 44.A O no hydrogen 2.900 N/A ASN 48.A ND2 ASP 161.A O no hydrogen 3.049 N/A TYR 49.A N LEU 45.A O no hydrogen 2.758 N/A TYR 49.A OH GLU 117.A OE2 no hydrogen 3.117 N/A TYR 50.A N MET 46.A O no hydrogen 3.119 N/A LYS 51.A N LYS 47.A O no hydrogen 2.813 N/A LYS 51.A NZ GLU 55.A OE2 no hydrogen 2.841 N/A TRP 52.A N ASN 48.A O no hydrogen 2.767 N/A ARG 53.A N TYR 49.A O no hydrogen 2.850 N/A ALA 54.A N TYR 50.A O no hydrogen 2.998 N/A GLU 55.A N LYS 51.A O no hydrogen 2.942 N/A CYS 56.A N TRP 52.A O no hydrogen 3.045 N/A CYS 56.A SG TRP 52.A O no hydrogen 3.626 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.908 N/A LEU 59.A N CYS 56.A O no hydrogen 3.100 N/A SER 60.A N CYS 56.A O no hydrogen 2.833 N/A SER 60.A OG ARG 53.A O no hydrogen 2.604 N/A SER 60.A OG CYS 56.A O no hydrogen 3.031 N/A ALA 61.A N PRO 57.A O no hydrogen 3.215 N/A LEU 63.A N SER 250.A OG no hydrogen 2.877 N/A ARG 64.A N ASP 62.A OD1 no hydrogen 3.426 N/A ARG 64.A NH2 GLU 251.A O no hydrogen 3.318 N/A ILE 68.A N PRO 65.A O no hydrogen 2.994 N/A LEU 69.A N ARG 66.A O no hydrogen 3.258 N/A LEU 72.A N ILE 68.A O no hydrogen 3.268 N/A LYS 73.A N LEU 69.A O no hydrogen 2.856 N/A ALA 74.A N GLY 70.A O no hydrogen 2.990 N/A GLY 75.A N LEU 72.A O no hydrogen 3.294 N/A TYR 76.A N LEU 71.A O no hydrogen 3.250 N/A HIS 77.A ND1 ILE 92.A O no hydrogen 2.968 N/A HIS 77.A NE2 THR 115.A OG1 no hydrogen 2.678 N/A GLY 78.A N ILE 92.A O no hydrogen 3.111 N/A LEU 80.A N VAL 90.A O no hydrogen 2.901 N/A ARG 81.A NE GLU 234.A OE2 no hydrogen 3.139 N/A ARG 81.A NH2 GLU 234.A OE1 no hydrogen 2.734 N/A ARG 83.A NH1 GLY 87.A O no hydrogen 2.834 N/A ARG 83.A NH1 THR 125.A OG1 no hydrogen 3.177 N/A ARG 83.A NH2 THR 125.A OG1 no hydrogen 3.068 N/A ASP 84.A N SER 88.A O no hydrogen 2.953 N/A THR 86.A N ASP 84.A OD1 no hydrogen 2.899 N/A THR 86.A OG1 ASP 84.A OD1 no hydrogen 2.876 N/A GLY 87.A N ASP 84.A O no hydrogen 2.932 N/A SER 88.A N ASP 84.A OD1 no hydrogen 3.127 N/A SER 88.A OG ASN 128.A O no hydrogen 2.652 N/A ARG 89.A N GLY 129.A O no hydrogen 3.078 N/A LEU 91.A N LYS 131.A O no hydrogen 2.815 N/A ILE 92.A N GLY 78.A O no hydrogen 2.791 N/A TYR 93.A N ILE 133.A O no hydrogen 2.841 N/A TYR 93.A OH SER 112.A OG no hydrogen 2.832 N/A ARG 94.A N TYR 76.A O no hydrogen 2.704 N/A ARG 94.A NE GLY 75.A O no hydrogen 3.012 N/A ARG 94.A NH2 GLY 75.A O no hydrogen 3.020 N/A ARG 94.A NH2 GLU 229.A OE2 no hydrogen 3.324 N/A ILE 95.A N ASP 135.A O no hydrogen 3.024 N/A TYR 97.A N ARG 94.A O no hydrogen 2.992 N/A TRP 98.A N ILE 95.A O no hydrogen 2.971 N/A TRP 98.A NE1 PHE 103.A O no hydrogen 2.946 N/A LYS 101.A N ASP 99.A OD1 no hydrogen 3.027 N/A VAL 102.A N ASP 99.A O no hydrogen 2.898 N/A PHE 103.A N ASP 99.A O no hydrogen 2.924 N/A THR 104.A N ASP 107.A OD2 no hydrogen 3.075 N/A ASP 107.A N THR 104.A OG1 no hydrogen 3.051 N/A VAL 108.A N THR 104.A O no hydrogen 3.188 N/A PHE 109.A N ALA 105.A O no hydrogen 2.897 N/A ARG 110.A N TYR 106.A O no hydrogen 3.041 N/A ARG 110.A NH1 ASP 107.A OD1 no hydrogen 3.082 N/A ARG 110.A NH2 GLU 58.A O no hydrogen 2.676 N/A VAL 111.A N ASP 107.A O no hydrogen 3.332 N/A VAL 111.A N VAL 108.A O no hydrogen 3.188 N/A SER 112.A OG TYR 93.A OH no hydrogen 2.832 N/A LEU 113.A N PHE 109.A O no hydrogen 3.046 N/A ILE 114.A N ARG 110.A O no hydrogen 2.893 N/A THR 115.A N VAL 111.A O no hydrogen 2.950 N/A THR 115.A OG1 HIS 77.A NE2 no hydrogen 2.678 N/A THR 115.A OG1 VAL 111.A O no hydrogen 3.430 N/A SER 116.A N SER 112.A O no hydrogen 2.844 N/A SER 116.A OG SER 112.A O no hydrogen 2.642 N/A GLU 117.A N LEU 113.A O no hydrogen 2.891 N/A LEU 118.A N ILE 114.A O no hydrogen 3.038 N/A ILE 119.A N THR 115.A O no hydrogen 2.856 N/A VAL 120.A N SER 116.A O no hydrogen 2.962 N/A GLN 121.A N LEU 118.A O no hydrogen 3.398 N/A GLU 122.A N ILE 119.A O no hydrogen 2.933 N/A THR 125.A N GLU 122.A O no hydrogen 3.013 N/A THR 125.A OG1 GLU 122.A OE1 no hydrogen 2.547 N/A GLN 126.A N GLU 122.A O no hydrogen 3.024 N/A GLN 126.A NE2 VAL 120.A O no hydrogen 2.833 N/A ARG 127.A N VAL 123.A O no hydrogen 2.959 N/A ARG 127.A NH1 GLU 124.A OE2 no hydrogen 2.796 N/A ASN 128.A N GLU 124.A O no hydrogen 2.815 N/A GLY 129.A N THR 125.A O no hydrogen 2.729 N/A VAL 130.A N LYS 166.A O no hydrogen 2.930 N/A LYS 131.A N ARG 89.A O no hydrogen 2.815 N/A LYS 131.A NZ ASP 84.A OD2 no hydrogen 2.675 N/A LYS 131.A NZ SER 88.A OG no hydrogen 2.922 N/A ALA 132.A N GLY 169.A O no hydrogen 2.935 N/A ILE 133.A N LEU 91.A O no hydrogen 2.727 N/A PHE 134.A N HIS 171.A O no hydrogen 2.821 N/A ASP 135.A N TYR 93.A O no hydrogen 2.791 N/A LEU 136.A N ILE 173.A O no hydrogen 2.912 N/A GLU 137.A N ASP 135.A OD2 no hydrogen 3.090 N/A TRP 139.A N LEU 136.A O no hydrogen 2.870 N/A GLN 140.A N HIS 143.A ND1 no hydrogen 2.930 N/A HIS 143.A N GLN 140.A O no hydrogen 2.957 N/A HIS 143.A NE2 TRP 98.A O no hydrogen 2.805 N/A ALA 144.A N GLN 140.A O no hydrogen 3.405 N/A PHE 145.A N VAL 141.A O no hydrogen 3.026 N/A ILE 147.A N ALA 144.A O no hydrogen 3.030 N/A VAL 151.A N THR 148.A OG1 no hydrogen 3.304 N/A ALA 152.A N THR 148.A O no hydrogen 2.916 N/A LYS 153.A N PRO 149.A O no hydrogen 2.999 N/A LYS 154.A N SER 150.A O no hydrogen 3.278 N/A LYS 154.A NZ TYR 106.A OH no hydrogen 2.860 N/A ILE 155.A N VAL 151.A O no hydrogen 3.004 N/A ALA 156.A N ALA 152.A O no hydrogen 3.015 N/A ALA 157.A N LYS 153.A O no hydrogen 2.985 N/A VAL 158.A N LYS 154.A O no hydrogen 3.221 N/A LEU 159.A N ILE 155.A O no hydrogen 3.256 N/A LEU 159.A N ALA 156.A O no hydrogen 3.312 N/A THR 160.A N ALA 157.A O no hydrogen 2.941 N/A THR 160.A OG1 ALA 156.A O no hydrogen 2.933 N/A THR 160.A OG1 ALA 157.A O no hydrogen 3.141 N/A ASP 161.A N ALA 157.A O no hydrogen 3.197 N/A SER 162.A N ALA 157.A O no hydrogen 3.242 N/A LEU 165.A N PHE 163.A O no hydrogen 2.828 N/A LYS 166.A NZ ALA 34.A O no hydrogen 3.020 N/A LYS 166.A NZ ASP 36.A OD1 no hydrogen 2.944 N/A ARG 168.A N VAL 130.A O no hydrogen 2.759 N/A ILE 170.A N ARG 197.A O no hydrogen 2.767 N/A HIS 171.A N ALA 132.A O no hydrogen 2.792 N/A LEU 172.A N HIS 199.A O no hydrogen 2.701 N/A ILE 173.A N PHE 134.A O no hydrogen 3.014 N/A ASN 174.A N GLY 202.A O no hydrogen 2.873 N/A ASN 174.A ND2 ASP 135.A OD2 no hydrogen 2.954 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.876 N/A PHE 179.A N PRO 176.A O no hydrogen 3.008 N/A HIS 180.A N VAL 177.A O no hydrogen 3.064 N/A HIS 180.A NE2 GLU 175.A OE2 no hydrogen 2.826 N/A ALA 181.A N ILE 178.A O no hydrogen 2.999 N/A VAL 182.A N ILE 178.A O no hydrogen 3.139 N/A PHE 183.A N PHE 179.A O no hydrogen 2.864 N/A SER 184.A N HIS 180.A O no hydrogen 3.064 N/A SER 184.A OG HIS 180.A O no hydrogen 3.180 N/A MET 185.A N ALA 181.A O no hydrogen 3.273 N/A ILE 186.A N VAL 182.A O no hydrogen 3.244 N/A ILE 186.A N PHE 183.A O no hydrogen 3.266 N/A LYS 187.A N PHE 183.A O no hydrogen 3.052 N/A PHE 189.A N ILE 186.A O no hydrogen 2.975 N/A LEU 190.A N LYS 187.A O no hydrogen 2.963 N/A LYS 195.A N THR 191.A O no hydrogen 3.172 N/A ASP 196.A N GLU 192.A O no hydrogen 3.146 N/A ARG 197.A N ILE 194.A O no hydrogen 2.907 N/A ARG 197.A NH1 VAL 167.A O no hydrogen 3.098 N/A ILE 198.A N LYS 195.A O no hydrogen 3.457 N/A HIS 199.A N ILE 170.A O no hydrogen 2.850 N/A HIS 201.A N LEU 172.A O no hydrogen 2.788 N/A GLY 202.A N GLU 175.A OE1 no hydrogen 2.837 N/A TYR 205.A OH GLU 220.A O no hydrogen 3.271 N/A SER 208.A OG TYR 205.A O no hydrogen 3.125 N/A MET 209.A N TYR 205.A O no hydrogen 2.870 N/A LEU 210.A N LYS 206.A O no hydrogen 2.998 N/A GLN 211.A N SER 208.A O no hydrogen 3.171 N/A GLN 211.A NE2 SER 207.A O no hydrogen 2.650 N/A HIS 212.A N MET 209.A O no hydrogen 3.070 N/A PHE 213.A N MET 209.A O no hydrogen 2.933 N/A ARG 219.A N PHE 226.A O no hydrogen 2.777 N/A GLU 220.A N GLU 220.A OE1 no hydrogen 2.764 N/A TYR 221.A N PRO 218.A O no hydrogen 3.004 N/A TYR 221.A OH ASP 135.A OD1 no hydrogen 2.551 N/A GLY 222.A N ARG 219.A O no hydrogen 3.115 N/A GLY 223.A N PRO 218.A O no hydrogen 2.990 N/A SER 227.A N ASP 230.A OD2 no hydrogen 3.227 N/A MET 228.A N GLU 220.A OE1 no hydrogen 2.854 N/A ASP 230.A N SER 227.A OG no hydrogen 3.112 N/A ILE 231.A N SER 227.A O no hydrogen 3.301 N/A CYS 232.A N MET 228.A O no hydrogen 2.822 N/A CYS 232.A SG GLY 75.A O no hydrogen 3.632 N/A CYS 232.A SG HIS 77.A O no hydrogen 3.710 N/A CYS 232.A SG MET 228.A O no hydrogen 3.347 N/A GLN 233.A N GLU 229.A O no hydrogen 3.107 N/A GLU 234.A N ASP 230.A O no hydrogen 2.935 N/A TRP 235.A N ILE 231.A O no hydrogen 3.000 N/A TRP 235.A NE1 THR 115.A OG1 no hydrogen 2.912 N/A THR 236.A N CYS 232.A O no hydrogen 2.852 N/A THR 236.A OG1 LEU 72.A O no hydrogen 3.268 N/A THR 236.A OG1 CYS 232.A O no hydrogen 2.849 N/A ASN 237.A N GLN 233.A O no hydrogen 2.995 N/A PHE 238.A N GLU 234.A O no hydrogen 3.068 N/A ILE 239.A N TRP 235.A O no hydrogen 2.836 N/A MET 240.A N THR 236.A O no hydrogen 3.007 N/A LYS 241.A N ASN 237.A O no hydrogen 2.827 N/A SER 242.A N PHE 238.A O no hydrogen 3.069 N/A SER 242.A N ILE 239.A O no hydrogen 3.218 N/A SER 242.A OG PHE 238.A O no hydrogen 2.887 N/A GLU 243.A N MET 240.A O no hydrogen 3.064 N/A LEU 246.A N SER 242.A O no hydrogen 2.933 N/A SER 247.A N GLU 243.A O no hydrogen 2.892 N/A SER 248.A N ASP 244.A O no hydrogen 2.794 N/A SER 248.A OG TYR 245.A O no hydrogen 2.716 N/A ILE 249.A N TYR 245.A O no hydrogen 3.229 N/A SER 250.A N SER 247.A O no hydrogen 3.181 N/A SER 250.A OG LEU 246.A O no hydrogen 2.747 N/A GLU 251.A N ALA 61.A O no hydrogen 2.657 N/A