Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3une_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A ND2 PHE 115.A O no hydrogen 3.147 N/A THR 6.A OG1 GLY 3.A O no hydrogen 2.729 N/A SER 8.A N ARG 12.A O no hydrogen 2.822 N/A SER 8.A OG ARG 12.A O no hydrogen 2.727 N/A GLY 11.A N SER 8.A OG no hydrogen 3.318 N/A ARG 12.A N SER 8.A OG no hydrogen 3.157 N/A PHE 14.A N THR 6.A O no hydrogen 3.460 N/A GLU 17.A N LEU 13.A O no hydrogen 3.371 N/A TYR 18.A N PHE 14.A O no hydrogen 2.998 N/A ALA 19.A N GLN 15.A O no hydrogen 3.325 N/A ILE 20.A N VAL 16.A O no hydrogen 3.212 N/A ALA 22.A N TYR 18.A O no hydrogen 3.186 N/A ILE 23.A N ILE 20.A O no hydrogen 3.371 N/A LYS 24.A NZ GLU 21.A OE1 no hydrogen 3.296 N/A GLY 26.A N ILE 23.A O no hydrogen 2.925 N/A THR 28.A N GLU 43.A OE1 no hydrogen 3.350 N/A ALA 29.A N ILE 162.A O no hydrogen 2.732 N/A ILE 30.A N ALA 41.A O no hydrogen 2.753 N/A GLY 31.A N ARG 160.A O no hydrogen 3.089 N/A ILE 32.A N CYS 39.A O no hydrogen 3.197 N/A GLN 33.A N ASP 158.A O no hydrogen 2.776 N/A THR 34.A N GLY 37.A O no hydrogen 2.817 N/A GLY 37.A N THR 34.A O no hydrogen 3.449 N/A VAL 38.A N VAL 212.A O no hydrogen 2.723 N/A CYS 39.A N ILE 32.A O no hydrogen 3.216 N/A CYS 39.A SG ILE 32.A O no hydrogen 3.700 N/A LEU 40.A N ALA 210.A O no hydrogen 2.827 N/A ALA 41.A N ILE 30.A O no hydrogen 2.816 N/A VAL 42.A N GLU 208.A O no hydrogen 3.308 N/A GLU 43.A N THR 28.A O no hydrogen 3.470 N/A LYS 44.A N ASN 206.A O no hydrogen 3.005 N/A LYS 44.A NZ PRO 53.A O no hydrogen 2.987 N/A ARG 45.A NH1 LEU 25.A O no hydrogen 3.439 N/A ARG 45.A NH2 GLU 43.A OE1 no hydrogen 2.981 N/A ARG 45.A NH2 SER 164.A OG no hydrogen 3.362 N/A MET 51.A N SER 48.A O no hydrogen 2.961 N/A LYS 58.A N GLU 208.A OE2 no hydrogen 2.794 N/A LYS 58.A NZ SER 27.A OG no hydrogen 2.840 N/A LYS 58.A NZ GLU 43.A O no hydrogen 3.020 N/A LYS 58.A NZ LYS 44.A O no hydrogen 3.111 N/A VAL 60.A N CYS 68.A O no hydrogen 3.040 N/A ILE 62.A N ILE 66.A O no hydrogen 3.081 N/A ASP 63.A N ILE 66.A O no hydrogen 3.460 N/A ALA 64.A N ASP 63.A OD1 no hydrogen 2.791 N/A HIS 65.A NE2 MET 99.A O no hydrogen 2.759 N/A GLY 67.A N GLY 136.A O no hydrogen 2.809 N/A CYS 68.A N VAL 60.A O no hydrogen 2.927 N/A CYS 68.A SG ALA 69.A O no hydrogen 4.008 N/A CYS 68.A SG LEU 134.A O no hydrogen 3.950 N/A ALA 69.A N LEU 134.A O no hydrogen 2.990 N/A MET 70.A N LYS 58.A O no hydrogen 3.100 N/A SER 71.A N ALA 132.A O no hydrogen 3.016 N/A SER 71.A OG SER 27.A O no hydrogen 2.686 N/A LEU 73.A N GLY 130.A O no hydrogen 3.426 N/A ALA 77.A N LEU 73.A O no hydrogen 3.371 N/A LYS 78.A N ILE 74.A O no hydrogen 3.262 N/A ILE 81.A N ALA 77.A O no hydrogen 2.939 N/A ASP 82.A N LYS 78.A O no hydrogen 3.346 N/A LYS 83.A N THR 79.A O no hydrogen 3.292 N/A ALA 84.A N LEU 80.A O no hydrogen 3.050 N/A ARG 85.A N ILE 81.A O no hydrogen 2.949 N/A ARG 85.A NE GLU 61.A O no hydrogen 2.927 N/A ARG 85.A NH2 GLU 61.A O no hydrogen 3.120 N/A VAL 86.A N ASP 82.A O no hydrogen 3.334 N/A GLU 87.A N LYS 83.A O no hydrogen 3.217 N/A THR 88.A N ALA 84.A O no hydrogen 3.315 N/A THR 88.A OG1 ALA 84.A O no hydrogen 3.331 N/A THR 88.A OG1 ARG 85.A O no hydrogen 2.723 N/A ASN 90.A N VAL 86.A O no hydrogen 2.778 N/A HIS 91.A N GLU 87.A O no hydrogen 3.138 N/A TRP 92.A N THR 88.A O no hydrogen 3.136 N/A PHE 93.A N GLN 89.A O no hydrogen 2.956 N/A THR 94.A N ASN 90.A O no hydrogen 3.269 N/A THR 94.A OG1 ASN 90.A O no hydrogen 2.769 N/A TYR 95.A N HIS 91.A O no hydrogen 2.897 N/A ASN 96.A N TRP 92.A O no hydrogen 3.095 N/A VAL 101.A N ASP 139.A OD2 no hydrogen 3.043 N/A SER 103.A N THR 100.A O no hydrogen 3.089 N/A SER 103.A OG THR 100.A OG1 no hydrogen 2.725 N/A VAL 104.A N THR 100.A O no hydrogen 3.202 N/A THR 105.A N VAL 101.A O no hydrogen 3.218 N/A THR 105.A OG1 VAL 101.A O no hydrogen 2.697 N/A GLN 106.A N GLU 102.A O no hydrogen 3.019 N/A ALA 107.A N SER 103.A O no hydrogen 3.037 N/A VAL 108.A N VAL 104.A O no hydrogen 3.283 N/A SER 109.A N THR 105.A O no hydrogen 2.994 N/A SER 109.A OG THR 105.A O no hydrogen 2.808 N/A LEU 111.A N VAL 108.A O no hydrogen 3.195 N/A GLY 116.A N MET 125.A O no hydrogen 3.098 N/A ALA 124.A N ASP 121.A O no hydrogen 3.170 N/A ARG 127.A NH1 ASP 76.A OD1 no hydrogen 3.289 N/A ARG 127.A NH2 ASP 76.A OD2 no hydrogen 2.670 N/A ALA 132.A N SER 71.A O no hydrogen 3.219 N/A LEU 133.A N MET 148.A O no hydrogen 3.004 N/A LEU 134.A N ALA 69.A O no hydrogen 2.797 N/A PHE 135.A N PHE 146.A O no hydrogen 2.814 N/A GLY 136.A N GLY 67.A O no hydrogen 2.878 N/A GLY 137.A N GLN 144.A O no hydrogen 3.081 N/A VAL 138.A N HIS 65.A O no hydrogen 3.064 N/A ASP 139.A N GLY 142.A O no hydrogen 3.292 N/A LYS 141.A N ASP 139.A OD1 no hydrogen 2.963 N/A GLY 142.A N ASP 139.A O no hydrogen 3.307 N/A GLN 144.A N GLY 137.A O no hydrogen 2.827 N/A LEU 145.A N GLN 33.A OE1 no hydrogen 3.303 N/A PHE 146.A N PHE 135.A O no hydrogen 2.784 N/A HIS 147.A N VAL 155.A O no hydrogen 2.984 N/A MET 148.A N LEU 133.A O no hydrogen 3.037 N/A SER 151.A OG ASP 149.A OD1 no hydrogen 2.867 N/A SER 151.A OG ASP 149.A OD2 no hydrogen 3.054 N/A SER 151.A OG THR 153.A OG1 no hydrogen 3.057 N/A GLY 152.A N ASP 149.A O no hydrogen 2.727 N/A THR 153.A OG1 SER 151.A OG no hydrogen 3.057 N/A VAL 155.A N HIS 147.A O no hydrogen 3.264 N/A CYS 157.A N LEU 145.A O no hydrogen 2.804 N/A CYS 157.A SG VAL 155.A O no hydrogen 3.712 N/A ARG 160.A N GLY 31.A O no hydrogen 3.100 N/A ALA 161.A N GLN 170.A OE1 no hydrogen 3.038 N/A ILE 162.A N ALA 29.A O no hydrogen 3.036 N/A SER 166.A OG ALA 161.A O no hydrogen 2.783 N/A ALA 169.A N ALA 165.A O no hydrogen 3.272 N/A GLN 170.A N SER 166.A O no hydrogen 3.242 N/A GLN 170.A NE2 ALA 159.A O no hydrogen 3.197 N/A SER 171.A OG GLU 167.A O no hydrogen 3.393 N/A SER 171.A OG GLY 168.A O no hydrogen 2.834 N/A SER 172.A OG GLY 168.A O no hydrogen 3.206 N/A LEU 173.A N ALA 169.A O no hydrogen 3.112 N/A GLN 174.A N GLN 170.A O no hydrogen 3.114 N/A TYR 177.A N LEU 173.A O no hydrogen 3.246 N/A TYR 177.A OH GLN 33.A O no hydrogen 2.882 N/A LYS 179.A NZ ASP 158.A OD2 no hydrogen 3.508 N/A LEU 183.A N GLU 36.A OE1 no hydrogen 3.058 N/A ALA 186.A N THR 182.A O no hydrogen 3.051 N/A ILE 187.A N LEU 183.A O no hydrogen 3.038 N/A LYS 188.A N LYS 184.A O no hydrogen 3.094 N/A SER 189.A N GLU 185.A O no hydrogen 2.879 N/A SER 189.A OG GLU 185.A O no hydrogen 2.789 N/A SER 190.A N ALA 186.A O no hydrogen 3.300 N/A SER 190.A OG ALA 186.A O no hydrogen 3.130 N/A SER 190.A OG ILE 187.A O no hydrogen 2.686 N/A LEU 191.A N ILE 187.A O no hydrogen 3.290 N/A ILE 192.A N LYS 188.A O no hydrogen 3.311 N/A ILE 193.A N SER 189.A O no hydrogen 3.294 N/A LEU 194.A N SER 190.A O no hydrogen 3.046 N/A LYS 195.A N LEU 191.A O no hydrogen 3.168 N/A VAL 197.A N ILE 193.A O no hydrogen 3.382 N/A LYS 201.A NZ GLU 200.A OE2 no hydrogen 3.058 N/A THR 205.A OG1 ASN 203.A OD1 no hydrogen 3.262 N/A ASN 206.A N ASN 203.A O no hydrogen 3.271 N/A GLU 208.A N VAL 42.A O no hydrogen 3.121 N/A ALA 210.A N LEU 40.A O no hydrogen 3.106 N/A THR 211.A N HIS 219.A O no hydrogen 3.311 N/A VAL 212.A N VAL 38.A O no hydrogen 2.838 N/A PHE 218.A N ALA 64.A O no hydrogen 3.057 N/A HIS 219.A N THR 211.A O no hydrogen 3.386 N/A PHE 221.A N LEU 209.A O no hydrogen 3.075 N/A THR 222.A N GLU 225.A OE1 no hydrogen 3.279 N/A THR 222.A OG1 GLU 225.A OE1 no hydrogen 2.882 N/A LYS 223.A NZ GLU 224.A OE2 no hydrogen 2.936 N/A LEU 226.A N THR 222.A O no hydrogen 2.893 N/A GLU 227.A N LYS 223.A O no hydrogen 3.417 N/A VAL 229.A N LEU 226.A O no hydrogen 3.083 N/A ILE 230.A N LEU 226.A O no hydrogen 3.121 N/A LYS 231.A N GLU 227.A O no hydrogen 3.222 N/A LYS 231.A NZ GLU 228.A O no hydrogen 2.811 N/A LYS 231.A NZ GLU 228.A OE2 no hydrogen 2.802 N/A