Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3of0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLU 75.A OE2 no hydrogen 3.260 N/A TRP 4.A N ASP 2.A OD1 no hydrogen 2.672 N/A ILE 6.A N VAL 72.A O no hydrogen 3.306 N/A ARG 8.A NH1 PRO 77.A O no hydrogen 3.178 N/A ARG 8.A NH2 GLU 75.A O no hydrogen 2.755 N/A ARG 8.A NH2 PRO 77.A O no hydrogen 3.345 N/A SER 10.A N PRO 7.A O no hydrogen 3.241 N/A SER 10.A OG PRO 7.A O no hydrogen 2.622 N/A LEU 11.A N ARG 8.A O no hydrogen 3.472 N/A ARG 12.A N THR 29.A O no hydrogen 2.975 N/A GLU 14.A N MET 27.A O no hydrogen 3.045 N/A VAL 15.A N MET 27.A O no hydrogen 3.034 N/A LYS 16.A NZ GLU 24.A OE2 no hydrogen 3.115 N/A LEU 17.A N VAL 25.A O no hydrogen 2.757 N/A GLY 18.A N VAL 25.A O no hydrogen 3.261 N/A GLY 20.A N GLY 23.A O no hydrogen 2.882 N/A GLU 24.A N THR 40.A O no hydrogen 3.234 N/A GLU 24.A N THR 40.A OG1 no hydrogen 2.746 N/A VAL 25.A N GLY 18.A O no hydrogen 3.039 N/A TRP 26.A N ILE 38.A O no hydrogen 2.672 N/A TRP 26.A NE1 GLU 24.A OE1 no hydrogen 2.612 N/A MET 27.A N VAL 15.A O no hydrogen 2.816 N/A GLY 28.A N VAL 36.A O no hydrogen 2.873 N/A THR 29.A N ARG 12.A O no hydrogen 3.030 N/A THR 29.A OG1 GLU 14.A OE2 no hydrogen 2.501 N/A TRP 30.A N THR 34.A O no hydrogen 2.603 N/A ASN 31.A N SER 10.A O no hydrogen 2.950 N/A THR 33.A N TRP 30.A O no hydrogen 3.496 N/A THR 33.A OG1 TRP 30.A O no hydrogen 3.465 N/A THR 33.A OG1 THR 34.A OG1 no hydrogen 3.111 N/A THR 34.A N TRP 30.A O no hydrogen 3.088 N/A THR 34.A OG1 TRP 30.A O no hydrogen 3.000 N/A THR 34.A OG1 THR 33.A OG1 no hydrogen 3.111 N/A ARG 35.A NH1 GLU 14.A OE1 no hydrogen 3.334 N/A ARG 35.A NH2 GLU 14.A OE1 no hydrogen 3.353 N/A VAL 36.A N GLY 28.A O no hydrogen 2.795 N/A ALA 37.A N THR 82.A O no hydrogen 3.056 N/A ILE 38.A N TRP 26.A O no hydrogen 2.670 N/A LYS 39.A N ILE 80.A O no hydrogen 2.880 N/A THR 40.A N GLU 24.A O no hydrogen 2.798 N/A LEU 41.A N ILE 78.A O no hydrogen 3.405 N/A LYS 42.A N PHE 22.A O no hydrogen 2.903 N/A LYS 42.A NZ GLU 24.A OE2 no hydrogen 3.147 N/A THR 45.A N LYS 42.A O no hydrogen 3.229 N/A PHE 51.A N SER 47.A O no hydrogen 2.872 N/A LEU 52.A N PRO 48.A O no hydrogen 2.831 N/A VAL 57.A N GLN 53.A O no hydrogen 3.074 N/A MET 58.A N GLU 54.A O no hydrogen 3.320 N/A LYS 60.A N VAL 57.A O no hydrogen 3.105 N/A ARG 62.A N TYR 120.A OH no hydrogen 3.103 N/A LYS 65.A N HIS 63.A ND1 no hydrogen 3.081 N/A LYS 65.A NZ GLN 113.A OE1 no hydrogen 2.951 N/A LEU 66.A N HIS 63.A O no hydrogen 3.135 N/A VAL 67.A N VAL 146.A O no hydrogen 3.036 N/A GLN 68.A N GLU 83.A OE2 no hydrogen 2.724 N/A GLN 68.A NE2 LEU 69.A O no hydrogen 3.150 N/A TYR 70.A N VAL 81.A O no hydrogen 2.601 N/A ALA 71.A N VAL 81.A O no hydrogen 3.098 N/A VAL 73.A N TYR 79.A O no hydrogen 2.803 N/A SER 74.A N GLU 5.A OE2 no hydrogen 2.487 N/A SER 74.A OG GLU 5.A OE2 no hydrogen 2.665 N/A TYR 79.A N VAL 73.A O no hydrogen 3.307 N/A ILE 80.A N LYS 39.A O no hydrogen 2.837 N/A VAL 81.A N ALA 71.A O no hydrogen 2.841 N/A THR 82.A N ALA 37.A O no hydrogen 2.897 N/A THR 82.A OG1 GLU 83.A O no hydrogen 3.388 N/A GLU 83.A N GLN 68.A O no hydrogen 2.770 N/A SER 86.A OG GLU 140.A OE1 no hydrogen 2.940 N/A LYS 87.A N VAL 138.A O no hydrogen 2.884 N/A LEU 90.A N ILE 136.A O no hydrogen 2.580 N/A ASP 92.A N SER 89.A OG no hydrogen 2.965 N/A PHE 93.A N SER 89.A O no hydrogen 3.056 N/A LEU 94.A N LEU 90.A O no hydrogen 2.795 N/A LEU 94.A N LEU 91.A O no hydrogen 3.187 N/A LYS 95.A N LEU 91.A O no hydrogen 2.990 N/A LYS 95.A N ASP 92.A O no hydrogen 3.141 N/A GLY 96.A N ASP 92.A O no hydrogen 2.861 N/A GLY 99.A N GLY 96.A O no hydrogen 2.781 N/A TYR 101.A N MET 98.A O no hydrogen 3.176 N/A LEU 102.A N GLY 99.A O no hydrogen 2.944 N/A ARG 103.A N GLN 106.A OE1 no hydrogen 2.653 N/A ARG 103.A NH1 LYS 100.A O no hydrogen 2.741 N/A ARG 103.A NH1 LEU 102.A O no hydrogen 3.268 N/A LEU 104.A N LEU 260.A OXT no hydrogen 2.711 N/A LEU 107.A N ARG 103.A O no hydrogen 2.996 N/A VAL 108.A N LEU 104.A O no hydrogen 2.916 N/A ASP 109.A N PRO 105.A O no hydrogen 3.267 N/A MET 110.A N GLN 106.A O no hydrogen 2.986 N/A ALA 111.A N LEU 107.A O no hydrogen 3.117 N/A ALA 112.A N VAL 108.A O no hydrogen 2.999 N/A GLN 113.A N ASP 109.A O no hydrogen 3.033 N/A GLN 113.A NE2 ASP 109.A O no hydrogen 3.624 N/A GLN 113.A NE2 ASP 109.A OD2 no hydrogen 3.297 N/A GLN 113.A NE2 LEU 142.A O no hydrogen 2.913 N/A ILE 114.A N MET 110.A O no hydrogen 3.107 N/A ALA 115.A N ALA 111.A O no hydrogen 2.926 N/A SER 116.A N ALA 112.A O no hydrogen 3.072 N/A GLY 117.A N GLN 113.A O no hydrogen 3.017 N/A MET 118.A N ILE 114.A O no hydrogen 2.879 N/A ALA 119.A N ALA 115.A O no hydrogen 2.882 N/A TYR 120.A N SER 116.A O no hydrogen 3.288 N/A VAL 121.A N GLY 117.A O no hydrogen 3.100 N/A GLU 122.A N MET 118.A O no hydrogen 2.806 N/A ARG 123.A N ALA 119.A O no hydrogen 2.980 N/A MET 124.A N TYR 120.A O no hydrogen 3.095 N/A ASN 125.A N GLU 122.A O no hydrogen 3.163 N/A TYR 126.A N VAL 121.A O no hydrogen 3.012 N/A HIS 128.A N ASP 171.A OD2 no hydrogen 2.653 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 3.062 N/A ARG 129.A N ASP 171.A OD1 no hydrogen 3.067 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.017 N/A ARG 132.A NE ASP 130.A OD1 no hydrogen 2.657 N/A ARG 132.A NH2 ASP 130.A OD1 no hydrogen 3.550 N/A ARG 132.A NH2 ASP 130.A OD2 no hydrogen 3.088 N/A ALA 133.A N GLU 181.A OE1 no hydrogen 3.269 N/A ASN 135.A N ARG 132.A O no hydrogen 2.990 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.753 N/A ILE 136.A N ALA 133.A O no hydrogen 3.006 N/A LEU 137.A N LYS 145.A O no hydrogen 2.964 N/A VAL 138.A N GLY 88.A O no hydrogen 2.903 N/A GLY 139.A N VAL 143.A O no hydrogen 2.722 N/A CYS 144.A N GLN 113.A OE1 no hydrogen 2.981 N/A CYS 144.A SG LEU 142.A O no hydrogen 3.679 N/A LYS 145.A N LEU 137.A O no hydrogen 2.904 N/A LYS 145.A NZ GLU 64.A O no hydrogen 3.175 N/A LYS 145.A NZ GLU 83.A OE1 no hydrogen 2.976 N/A LYS 145.A NZ GLU 83.A OE2 no hydrogen 3.097 N/A VAL 146.A N LYS 65.A O no hydrogen 2.953 N/A LYS 154.A NZ MET 193.A O no hydrogen 2.738 N/A TRP 155.A N PRO 152.A O no hydrogen 2.761 N/A TRP 155.A NE1 GLU 181.A OE1 no hydrogen 3.230 N/A TRP 155.A NE1 GLU 181.A OE2 no hydrogen 3.066 N/A THR 156.A N PRO 152.A O no hydrogen 2.776 N/A THR 156.A N ILE 153.A O no hydrogen 3.327 N/A THR 156.A OG1 PRO 152.A O no hydrogen 2.771 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.965 N/A ALA 161.A N ALA 157.A O no hydrogen 2.856 N/A LEU 162.A N PRO 158.A O no hydrogen 2.905 N/A TYR 163.A N GLU 159.A O no hydrogen 2.838 N/A GLY 164.A N ALA 160.A O no hydrogen 2.823 N/A ARG 165.A N GLU 159.A O no hydrogen 3.120 N/A PHE 166.A N GLY 164.A O no hydrogen 2.907 N/A THR 167.A N SER 170.A OG no hydrogen 2.808 N/A LYS 169.A N THR 167.A OG1 no hydrogen 3.071 N/A LYS 169.A NZ ARG 233.A O no hydrogen 2.751 N/A LYS 169.A NZ PRO 234.A O no hydrogen 3.419 N/A SER 170.A N THR 167.A O no hydrogen 3.054 N/A SER 170.A OG THR 167.A O no hydrogen 2.586 N/A ASP 171.A N THR 167.A O no hydrogen 3.074 N/A VAL 172.A N ILE 168.A O no hydrogen 3.022 N/A TRP 173.A N LYS 169.A O no hydrogen 3.246 N/A SER 174.A N SER 170.A O no hydrogen 3.238 N/A SER 174.A OG TRP 155.A O no hydrogen 2.637 N/A SER 174.A OG SER 170.A O no hydrogen 3.239 N/A PHE 175.A N ASP 171.A O no hydrogen 3.026 N/A GLY 176.A N VAL 172.A O no hydrogen 3.160 N/A ILE 177.A N TRP 173.A O no hydrogen 3.242 N/A LEU 178.A N SER 174.A O no hydrogen 2.847 N/A LEU 179.A N PHE 175.A O no hydrogen 2.916 N/A LEU 179.A N GLY 176.A O no hydrogen 3.198 N/A THR 180.A OG1 ILE 177.A O no hydrogen 2.613 N/A GLU 181.A N ILE 177.A O no hydrogen 3.485 N/A LEU 182.A N LEU 178.A O no hydrogen 3.211 N/A THR 183.A N LEU 179.A O no hydrogen 3.292 N/A THR 183.A OG1 LEU 179.A O no hydrogen 2.799 N/A THR 183.A OG1 THR 180.A O no hydrogen 3.144 N/A THR 184.A OG1 THR 180.A O no hydrogen 2.620 N/A LYS 185.A NZ GLY 99.A O no hydrogen 3.487 N/A LYS 185.A NZ LEU 102.A O no hydrogen 3.192 N/A LYS 185.A NZ ASN 259.A O no hydrogen 3.192 N/A GLY 186.A N GLU 181.A O no hydrogen 2.621 N/A MET 193.A N TYR 190.A O no hydrogen 3.028 N/A VAL 194.A N GLU 197.A OE2 no hydrogen 3.058 N/A VAL 198.A N VAL 194.A O no hydrogen 3.290 N/A LEU 199.A N ASN 195.A O no hydrogen 3.233 N/A ASP 200.A N ARG 196.A O no hydrogen 3.325 N/A GLN 201.A N GLU 197.A O no hydrogen 2.966 N/A VAL 202.A N VAL 198.A O no hydrogen 3.022 N/A GLU 203.A N LEU 199.A O no hydrogen 3.282 N/A ARG 204.A N ASP 200.A O no hydrogen 2.994 N/A ARG 204.A N GLN 201.A O no hydrogen 2.731 N/A GLY 205.A N VAL 202.A O no hydrogen 3.036 N/A TYR 206.A N GLN 201.A O no hydrogen 3.004 N/A ARG 207.A NE TRP 226.A O no hydrogen 2.844 N/A ARG 207.A NH1 VAL 202.A O no hydrogen 2.914 N/A ARG 207.A NH1 TYR 206.A O no hydrogen 2.744 N/A ARG 207.A NH2 TRP 226.A O no hydrogen 2.826 N/A CYS 210.A SG PRO 211.A O no hydrogen 3.861 N/A CYS 210.A SG CYS 214.A O no hydrogen 3.012 N/A CYS 214.A N PRO 211.A O no hydrogen 2.912 N/A CYS 214.A SG PRO 215.A O no hydrogen 3.407 N/A SER 217.A OG TYR 246.A OH no hydrogen 2.808 N/A SER 217.A OG GLU 251.A OE1 no hydrogen 2.652 N/A LEU 218.A N PRO 215.A O no hydrogen 3.167 N/A HIS 219.A N PRO 215.A O no hydrogen 3.301 N/A HIS 219.A NE2 MET 208.A O no hydrogen 2.772 N/A ASP 220.A N GLU 216.A O no hydrogen 2.717 N/A LEU 221.A N SER 217.A O no hydrogen 3.113 N/A MET 222.A N LEU 218.A O no hydrogen 3.010 N/A CYS 223.A N HIS 219.A O no hydrogen 2.987 N/A CYS 223.A SG HIS 219.A O no hydrogen 3.356 N/A GLN 224.A N ASP 220.A O no hydrogen 3.225 N/A GLN 224.A NE2 ASP 220.A OD1 no hydrogen 3.310 N/A CYS 225.A N LEU 221.A O no hydrogen 3.272 N/A CYS 225.A SG LEU 221.A O no hydrogen 3.360 N/A TRP 226.A N CYS 223.A O no hydrogen 3.288 N/A ARG 227.A NH1 GLU 232.A O no hydrogen 2.826 N/A GLU 231.A N ASP 229.A OD1 no hydrogen 3.385 N/A GLU 232.A N ASP 229.A O no hydrogen 2.691 N/A ARG 233.A NE LYS 169.A O no hydrogen 3.193 N/A ARG 233.A NH1 ARG 227.A O no hydrogen 2.503 N/A ARG 233.A NH2 GLU 159.A OE1 no hydrogen 3.301 N/A ARG 233.A NH2 LYS 169.A O no hydrogen 3.224 N/A PHE 236.A N GLU 122.A OE2 no hydrogen 3.007 N/A TYR 238.A N THR 235.A OG1 no hydrogen 3.052 N/A LEU 239.A N THR 235.A O no hydrogen 2.927 N/A GLN 240.A N PHE 236.A O no hydrogen 2.938 N/A GLN 240.A NE2 GLU 244.A OE2 no hydrogen 3.002 N/A ALA 241.A N GLU 237.A O no hydrogen 3.227 N/A PHE 242.A N TYR 238.A O no hydrogen 2.856 N/A LEU 243.A N LEU 239.A O no hydrogen 3.001 N/A GLU 244.A N GLN 240.A O no hydrogen 3.008 N/A ASP 245.A N ALA 241.A O no hydrogen 3.166 N/A TYR 246.A N LEU 243.A O no hydrogen 3.362 N/A TYR 246.A OH SER 217.A OG no hydrogen 2.808 N/A THR 248.A N ASP 245.A O no hydrogen 2.949 N/A SER 249.A N ASP 245.A O no hydrogen 2.867 N/A THR 250.A N TYR 246.A O no hydrogen 2.866 N/A GLU 251.A N TYR 246.A O no hydrogen 2.741 N/A TYR 254.A N GLU 251.A O no hydrogen 3.214 N/A TYR 254.A OH LEU 260.A O no hydrogen 2.861 N/A GLY 257.A N LEU 260.A O no hydrogen 3.136 N/A ASN 259.A N GLU 213.A OE1 no hydrogen 3.069 N/A ASN 259.A ND2 GLU 213.A OE2 no hydrogen 3.310 N/A LEU 260.A N GLU 213.A OE1 no hydrogen 3.495 N/A