Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3une_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 11.A N ARG 15.A O no hydrogen 2.805 N/A SER 11.A OG HIS 17.A NE2 no hydrogen 3.427 N/A GLN 13.A N SER 11.A OG no hydrogen 3.404 N/A GLY 14.A N SER 11.A O no hydrogen 2.841 N/A ARG 15.A NE GLU 20.A OE2 no hydrogen 2.809 N/A ARG 15.A NH2 GLU 20.A OE1 no hydrogen 2.860 N/A ARG 15.A NH2 GLU 20.A OE2 no hydrogen 3.165 N/A GLN 18.A NE2 ASP 4.A O no hydrogen 2.784 N/A GLU 20.A N ILE 16.A O no hydrogen 3.421 N/A TYR 21.A N HIS 17.A O no hydrogen 2.795 N/A ALA 22.A N GLN 18.A O no hydrogen 3.190 N/A MET 23.A N ILE 19.A O no hydrogen 3.157 N/A GLU 24.A N TYR 21.A O no hydrogen 3.315 N/A ALA 25.A N ALA 22.A O no hydrogen 3.360 N/A GLN 28.A N GLU 24.A O no hydrogen 3.254 N/A SER 30.A OG LEU 46.A O no hydrogen 2.859 N/A THR 32.A N ILE 158.A O no hydrogen 3.106 N/A THR 32.A OG1 VAL 44.A O no hydrogen 3.078 N/A THR 32.A OG1 SER 70.A OG no hydrogen 3.319 N/A VAL 33.A N VAL 44.A O no hydrogen 2.647 N/A GLY 34.A N MET 156.A O no hydrogen 2.802 N/A LEU 35.A N VAL 42.A O no hydrogen 3.067 N/A LYS 36.A NZ PRO 139.A O no hydrogen 3.524 N/A SER 37.A N HIS 40.A O no hydrogen 2.893 N/A SER 37.A OG HIS 40.A O no hydrogen 3.304 N/A LYS 38.A NZ GLU 178.A OE1 no hydrogen 2.982 N/A LYS 38.A NZ GLU 178.A OE2 no hydrogen 3.171 N/A THR 39.A N SER 37.A OG no hydrogen 3.357 N/A HIS 40.A N SER 37.A OG no hydrogen 3.125 N/A ALA 41.A N VAL 212.A O no hydrogen 2.840 N/A VAL 42.A N LEU 35.A O no hydrogen 2.841 N/A LEU 43.A N GLY 210.A O no hydrogen 2.787 N/A VAL 44.A N VAL 33.A O no hydrogen 2.764 N/A ALA 45.A N SER 208.A O no hydrogen 2.913 N/A LEU 46.A N ALA 31.A O no hydrogen 3.312 N/A LYS 47.A N ASN 206.A O no hydrogen 2.801 N/A ALA 54.A N SER 51.A O no hydrogen 3.261 N/A GLN 57.A N ARG 48.A O no hydrogen 3.076 N/A LYS 59.A NZ ILE 71.A O no hydrogen 2.764 N/A LEU 61.A N ILE 69.A O no hydrogen 3.038 N/A ASP 64.A N ILE 67.A O no hydrogen 2.989 N/A HIS 66.A NE2 LEU 100.A O no hydrogen 2.674 N/A GLY 68.A N ALA 132.A O no hydrogen 2.801 N/A ILE 69.A N LEU 61.A O no hydrogen 3.288 N/A SER 70.A N LEU 130.A O no hydrogen 3.009 N/A SER 70.A OG THR 32.A OG1 no hydrogen 3.319 N/A SER 70.A OG LEU 130.A O no hydrogen 3.354 N/A ILE 71.A N LYS 59.A O no hydrogen 3.132 N/A LEU 74.A N GLY 126.A O no hydrogen 3.019 N/A ALA 78.A N LEU 74.A O no hydrogen 3.222 N/A ARG 79.A N THR 75.A O no hydrogen 3.180 N/A LEU 80.A N ALA 76.A O no hydrogen 3.123 N/A LEU 81.A N ASP 77.A O no hydrogen 3.265 N/A CYS 82.A N ALA 78.A O no hydrogen 3.042 N/A CYS 82.A SG HIS 62.A O no hydrogen 3.498 N/A ASN 83.A N ARG 79.A O no hydrogen 3.077 N/A MET 85.A N LEU 81.A O no hydrogen 2.976 N/A ARG 86.A N CYS 82.A O no hydrogen 2.902 N/A ARG 86.A NE HIS 62.A O no hydrogen 2.723 N/A ARG 86.A NH2 HIS 62.A O no hydrogen 2.967 N/A GLN 87.A N ASN 83.A O no hydrogen 3.045 N/A GLU 88.A N PHE 84.A O no hydrogen 3.090 N/A CYS 89.A N MET 85.A O no hydrogen 3.306 N/A CYS 89.A SG MET 85.A O no hydrogen 3.257 N/A LEU 90.A N ARG 86.A O no hydrogen 3.066 N/A ASP 91.A N GLN 87.A O no hydrogen 2.981 N/A SER 92.A N GLU 88.A O no hydrogen 3.353 N/A ARG 93.A N CYS 89.A O no hydrogen 3.291 N/A ARG 93.A NE ASP 64.A OD2 no hydrogen 2.811 N/A ARG 93.A NH2 ASP 64.A OD2 no hydrogen 3.401 N/A ARG 93.A NH2 HIS 66.A ND1 no hydrogen 3.189 N/A PHE 94.A N LEU 90.A O no hydrogen 2.965 N/A VAL 95.A N ASP 91.A O no hydrogen 3.033 N/A PHE 96.A N SER 92.A O no hydrogen 2.884 N/A VAL 102.A N ASP 135.A OD2 no hydrogen 3.128 N/A ARG 104.A N PRO 101.A O no hydrogen 3.198 N/A LEU 105.A N PRO 101.A O no hydrogen 3.330 N/A VAL 106.A N VAL 102.A O no hydrogen 3.102 N/A SER 107.A OG SER 103.A O no hydrogen 2.869 N/A SER 107.A OG TYR 150.A OH no hydrogen 3.190 N/A LEU 108.A N ARG 104.A O no hydrogen 3.202 N/A LEU 108.A N LEU 105.A O no hydrogen 3.138 N/A ILE 109.A N LEU 105.A O no hydrogen 3.205 N/A GLY 110.A N VAL 106.A O no hydrogen 3.129 N/A SER 111.A OG SER 107.A O no hydrogen 3.054 N/A LYS 112.A N LEU 108.A O no hydrogen 3.196 N/A THR 113.A N ILE 109.A O no hydrogen 2.951 N/A THR 113.A OG1 ILE 109.A O no hydrogen 2.676 N/A GLN 114.A NE2 GLN 118.A OE1 no hydrogen 3.501 N/A THR 117.A OG1 GLN 114.A O no hydrogen 2.609 N/A GLN 118.A N ILE 115.A O no hydrogen 3.264 N/A ARG 123.A NH2 ASP 77.A OD1 no hydrogen 2.789 N/A ARG 123.A NH2 ASP 77.A OD2 no hydrogen 3.528 N/A GLY 126.A N ASP 77.A OD2 no hydrogen 3.096 N/A VAL 127.A N TYR 125.A O no hydrogen 2.887 N/A GLY 128.A N ALA 72.A O no hydrogen 2.753 N/A LEU 129.A N THR 144.A O no hydrogen 3.251 N/A LEU 130.A N SER 70.A O no hydrogen 2.949 N/A ILE 131.A N PHE 142.A O no hydrogen 2.770 N/A ALA 132.A N GLY 68.A O no hydrogen 2.785 N/A GLY 133.A N HIS 140.A O no hydrogen 3.114 N/A TYR 134.A N HIS 66.A O no hydrogen 3.070 N/A ASP 135.A N GLY 138.A O no hydrogen 3.451 N/A MET 137.A N ASP 135.A OD1 no hydrogen 3.098 N/A HIS 140.A N GLY 133.A O no hydrogen 2.769 N/A HIS 140.A NE2 ASP 135.A OD1 no hydrogen 2.888 N/A PHE 142.A N ILE 131.A O no hydrogen 2.924 N/A GLN 143.A N PHE 151.A O no hydrogen 2.902 N/A THR 144.A N LEU 129.A O no hydrogen 3.025 N/A THR 144.A OG1 LEU 129.A O no hydrogen 3.369 N/A PHE 151.A N GLN 143.A O no hydrogen 2.778 N/A CYS 153.A N ILE 141.A O no hydrogen 3.028 N/A CYS 153.A SG ILE 141.A O no hydrogen 3.356 N/A ARG 154.A NH1 MET 173.A O no hydrogen 2.861 N/A MET 156.A N GLY 34.A O no hydrogen 2.897 N/A SER 157.A OG THR 32.A O no hydrogen 3.112 N/A ILE 158.A N THR 32.A O no hydrogen 3.253 N/A ALA 160.A N GLY 29.A O no hydrogen 2.742 N/A ARG 161.A NH1 THR 195.A O no hydrogen 2.717 N/A SER 162.A OG GLY 159.A O no hydrogen 2.982 N/A ARG 166.A N SER 162.A O no hydrogen 2.956 N/A ARG 166.A NE SER 157.A O no hydrogen 3.315 N/A ARG 166.A NH2 SER 157.A O no hydrogen 3.007 N/A THR 167.A N GLN 163.A O no hydrogen 3.133 N/A THR 167.A OG1 GLN 163.A O no hydrogen 3.424 N/A THR 167.A OG1 SER 164.A O no hydrogen 2.737 N/A TYR 168.A OH HIS 187.A ND1 no hydrogen 3.408 N/A LEU 169.A N ALA 165.A O no hydrogen 3.203 N/A GLU 175.A N HIS 172.A O no hydrogen 3.351 N/A CYS 179.A N PHE 176.A O no hydrogen 3.226 N/A CYS 179.A SG GLU 175.A O no hydrogen 3.251 N/A ASP 182.A N ASN 180.A OD1 no hydrogen 3.292 N/A LEU 184.A N ASN 180.A O no hydrogen 2.696 N/A VAL 185.A N LEU 181.A O no hydrogen 3.393 N/A LYS 186.A N ASP 182.A O no hydrogen 3.427 N/A LYS 186.A NZ ASP 231.A O no hydrogen 3.286 N/A LYS 186.A NZ GLY 232.A O no hydrogen 2.861 N/A HIS 187.A N GLU 183.A O no hydrogen 3.139 N/A GLY 188.A N VAL 185.A O no hydrogen 2.821 N/A LEU 189.A N VAL 185.A O no hydrogen 3.095 N/A ARG 190.A N LYS 186.A O no hydrogen 3.301 N/A ARG 190.A NH1 TYR 168.A OH no hydrogen 2.950 N/A ALA 191.A N HIS 187.A O no hydrogen 3.380 N/A LEU 192.A N GLY 188.A O no hydrogen 3.115 N/A ARG 193.A N LEU 189.A O no hydrogen 2.813 N/A GLU 194.A N ALA 191.A O no hydrogen 3.226 N/A THR 195.A OG1 LEU 192.A O no hydrogen 2.624 N/A GLN 200.A N PRO 197.A O no hydrogen 3.387 N/A THR 203.A OG1 ASN 206.A OD1 no hydrogen 2.678 N/A SER 208.A N ALA 45.A O no hydrogen 3.130 N/A SER 208.A OG TYR 221.A O no hydrogen 3.343 N/A SER 208.A OG ASP 222.A OD1 no hydrogen 3.512 N/A ILE 209.A N TYR 221.A O no hydrogen 3.195 N/A GLY 210.A N LEU 43.A O no hydrogen 2.828 N/A ILE 211.A N THR 219.A O no hydrogen 3.308 N/A VAL 212.A N ALA 41.A O no hydrogen 3.113 N/A GLY 213.A N LEU 216.A O no hydrogen 3.260 N/A LYS 214.A N THR 39.A O no hydrogen 3.242 N/A PHE 218.A N ASN 65.A O no hydrogen 3.233 N/A THR 219.A N ILE 211.A O no hydrogen 3.322 N/A THR 219.A OG1 GLU 217.A O no hydrogen 3.146 N/A TYR 221.A N ILE 209.A O no hydrogen 2.842 N/A SER 227.A OG ASP 224.A O no hydrogen 2.813 N/A PHE 229.A N VAL 226.A O no hydrogen 3.194 N/A LEU 230.A N VAL 226.A O no hydrogen 3.239 N/A ASP 231.A N SER 227.A O no hydrogen 3.179 N/A ARG 236.A NH1 LEU 196.A O no hydrogen 2.795 N/A ARG 236.A NH1 PRO 197.A O no hydrogen 2.779 N/A