Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ey3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLU 36.A OE1 no hydrogen 2.845 N/A TYR 3.A N GLU 36.A OE2 no hydrogen 2.559 N/A ILE 5.A N GLN 19.A O no hydrogen 3.123 N/A GLU 7.A N LEU 17.A O no hydrogen 2.842 N/A LYS 8.A NZ ASP 47.A OD2 no hydrogen 2.812 N/A LYS 9.A N VAL 15.A O no hydrogen 2.694 N/A LYS 11.A NZ ASN 199.A OD1 no hydrogen 3.054 N/A GLY 16.A N ALA 52.A O no hydrogen 2.953 N/A LEU 17.A N GLU 7.A O no hydrogen 2.600 N/A ILE 18.A N VAL 54.A O no hydrogen 2.873 N/A GLN 19.A N ILE 5.A O no hydrogen 2.950 N/A LEU 20.A N THR 56.A O no hydrogen 2.900 N/A ASN 21.A N TYR 3.A O no hydrogen 2.575 N/A ARG 22.A N ASN 27.A OD1 no hydrogen 2.898 N/A ARG 22.A NH1 ASP 67.A OD2 no hydrogen 3.110 N/A ARG 22.A NH2 ASP 67.A OD2 no hydrogen 2.763 N/A LEU 26.A N PRO 23.A O no hydrogen 3.220 N/A ASN 27.A N ARG 22.A O no hydrogen 2.837 N/A ASN 27.A ND2 LEU 20.A O no hydrogen 3.537 N/A ASN 27.A ND2 ALA 61.A O no hydrogen 2.968 N/A ASN 27.A ND2 PHE 62.A O no hydrogen 3.317 N/A ALA 28.A N ALA 25.A O no hydrogen 2.692 N/A LEU 29.A N GLY 65.A O no hydrogen 2.671 N/A ASN 31.A N GLU 70.A OE1 no hydrogen 2.988 N/A ILE 34.A N CYS 30.A O no hydrogen 3.105 N/A GLU 35.A N ASN 31.A O no hydrogen 3.027 N/A GLU 36.A N GLY 32.A O no hydrogen 3.151 N/A LEU 37.A N LEU 33.A O no hydrogen 2.881 N/A ASN 38.A N ILE 34.A O no hydrogen 2.995 N/A ASN 38.A ND2 HIS 87.A O no hydrogen 3.112 N/A GLN 39.A N GLU 35.A O no hydrogen 3.256 N/A ALA 40.A N GLU 36.A O no hydrogen 2.790 N/A LEU 41.A N LEU 37.A O no hydrogen 2.915 N/A GLU 42.A N ASN 38.A O no hydrogen 2.941 N/A THR 43.A N GLN 39.A O no hydrogen 2.916 N/A THR 43.A OG1 ALA 40.A O no hydrogen 2.685 N/A PHE 44.A N ALA 40.A O no hydrogen 3.131 N/A GLU 45.A N LEU 41.A O no hydrogen 2.868 N/A GLU 46.A N GLU 42.A O no hydrogen 2.952 N/A GLU 46.A N THR 43.A O no hydrogen 3.079 N/A ASP 47.A N THR 43.A O no hydrogen 2.866 N/A ALA 49.A N ASP 47.A OD1 no hydrogen 2.699 N/A VAL 50.A N ASP 47.A O no hydrogen 3.190 N/A GLY 51.A N SER 14.A O no hydrogen 2.834 N/A ILE 53.A N PRO 97.A O no hydrogen 2.994 N/A VAL 54.A N GLY 16.A O no hydrogen 2.699 N/A LEU 55.A N ILE 99.A O no hydrogen 2.717 N/A THR 56.A N ILE 18.A O no hydrogen 3.040 N/A THR 56.A OG1 ALA 101.A O no hydrogen 2.846 N/A GLY 58.A N ALA 61.A O no hydrogen 2.765 N/A PHE 62.A N TYR 105.A O no hydrogen 2.642 N/A ALA 63.A N TYR 105.A O no hydrogen 3.069 N/A ALA 64.A N LEU 26.A O no hydrogen 3.025 N/A ASP 67.A N LEU 29.A O no hydrogen 3.379 N/A LYS 69.A N ASP 67.A OD1 no hydrogen 3.063 N/A GLU 70.A N ASP 67.A O no hydrogen 3.142 N/A MET 71.A N ILE 68.A O no hydrogen 3.228 N/A THR 75.A N ASP 78.A OD2 no hydrogen 2.699 N/A GLN 77.A N GLN 77.A OE1 no hydrogen 2.843 N/A ASP 78.A N THR 75.A OG1 no hydrogen 3.190 N/A CYS 79.A N THR 75.A O no hydrogen 3.254 N/A CYS 79.A N PHE 76.A O no hydrogen 3.028 N/A CYS 79.A SG THR 75.A O no hydrogen 3.643 N/A SER 81.A N ASP 78.A O no hydrogen 3.296 N/A SER 81.A OG ASP 78.A O no hydrogen 2.575 N/A LYS 83.A N SER 81.A OG no hydrogen 3.062 N/A HIS 90.A NE2 GLU 42.A OE2 no hydrogen 2.974 N/A THR 92.A N ASP 89.A O no hydrogen 2.947 N/A THR 92.A OG1 ASP 89.A O no hydrogen 2.640 N/A ARG 93.A N HIS 90.A O no hydrogen 2.857 N/A ARG 93.A NH1 THR 92.A OG1 no hydrogen 3.120 N/A ILE 94.A N ILE 91.A O no hydrogen 3.382 N/A LYS 95.A N GLU 45.A OE2 no hydrogen 3.067 N/A LYS 96.A N GLU 45.A OE1 no hydrogen 3.406 N/A LYS 96.A NZ PHE 44.A O no hydrogen 2.732 N/A LYS 96.A NZ GLU 45.A O no hydrogen 2.869 N/A LYS 96.A NZ ASP 47.A O no hydrogen 2.760 N/A LYS 96.A NZ VAL 50.A O no hydrogen 2.960 N/A VAL 98.A N ASP 118.A OD2 no hydrogen 2.863 N/A ILE 99.A N ILE 53.A O no hydrogen 2.755 N/A ALA 100.A N ILE 119.A O no hydrogen 2.815 N/A ALA 101.A N LEU 55.A O no hydrogen 2.698 N/A VAL 102.A N TYR 121.A O no hydrogen 2.714 N/A ASN 103.A ND2 VAL 183.A O no hydrogen 3.235 N/A TYR 105.A N LYS 60.A O no hydrogen 3.159 N/A ALA 106.A N GLN 127.A O no hydrogen 2.946 N/A LEU 107.A N ALA 63.A O no hydrogen 3.052 N/A GLY 108.A N GLY 129.A O no hydrogen 2.965 N/A GLY 110.A N LEU 107.A O no hydrogen 2.702 N/A CYS 111.A SG GLN 130.A OE1 no hydrogen 3.533 N/A GLU 112.A N GLY 108.A O no hydrogen 2.928 N/A LEU 113.A N GLY 109.A O no hydrogen 2.874 N/A ALA 114.A N GLY 110.A O no hydrogen 3.117 N/A MET 115.A N CYS 111.A O no hydrogen 2.998 N/A MET 116.A N GLU 112.A O no hydrogen 3.135 N/A MET 116.A N LEU 113.A O no hydrogen 3.138 N/A CYS 117.A N ALA 114.A O no hydrogen 3.077 N/A CYS 117.A SG LEU 113.A O no hydrogen 3.523 N/A ASP 118.A N VAL 98.A O no hydrogen 2.920 N/A ILE 119.A N VAL 98.A O no hydrogen 3.400 N/A TYR 121.A N ALA 100.A O no hydrogen 2.823 N/A ALA 122.A N LYS 179.A O no hydrogen 2.919 N/A GLY 123.A N VAL 102.A O no hydrogen 2.752 N/A GLU 124.A N PHE 181.A O no hydrogen 2.894 N/A ALA 126.A N GLY 123.A O no hydrogen 2.904 N/A GLN 127.A N GLY 104.A O no hydrogen 2.943 N/A PHE 128.A N ILE 166.A O no hydrogen 2.991 N/A GLY 129.A N ALA 106.A O no hydrogen 3.259 N/A GLN 130.A NE2 GLU 132.A OE1 no hydrogen 2.930 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.676 N/A LEU 134.A N PRO 131.A O no hydrogen 2.807 N/A LEU 135.A N GLU 132.A O no hydrogen 2.789 N/A GLY 136.A N ILE 133.A O no hydrogen 3.176 N/A THR 137.A N GLU 132.A O no hydrogen 3.258 N/A ILE 138.A N THR 137.A OG1 no hydrogen 2.841 N/A ALA 141.A N GLU 112.A OE2 no hydrogen 2.701 N/A GLY 143.A N GLU 112.A OE2 no hydrogen 2.788 N/A GLN 145.A N GLY 142.A O no hydrogen 3.058 N/A GLN 145.A NE2 THR 144.A OG1 no hydrogen 3.076 N/A ARG 146.A N GLY 142.A O no hydrogen 2.857 N/A THR 148.A OG1 THR 144.A O no hydrogen 2.712 N/A ARG 149.A N GLN 145.A O no hydrogen 3.120 N/A ARG 149.A NH1 GLN 145.A O no hydrogen 3.178 N/A ARG 149.A NH1 GLN 145.A OE1 no hydrogen 2.986 N/A ALA 150.A N ARG 146.A O no hydrogen 3.252 N/A ALA 150.A N LEU 147.A O no hydrogen 3.070 N/A VAL 151.A N LEU 147.A O no hydrogen 2.837 N/A GLY 152.A N THR 148.A O no hydrogen 2.971 N/A ALA 156.A N GLY 152.A O no hydrogen 3.150 N/A MET 157.A N LYS 153.A O no hydrogen 2.829 N/A GLU 158.A N SER 154.A O no hydrogen 2.999 N/A MET 159.A N LEU 155.A O no hydrogen 2.872 N/A VAL 160.A N ALA 156.A O no hydrogen 2.926 N/A LEU 161.A N MET 157.A O no hydrogen 2.874 N/A THR 162.A N GLU 158.A O no hydrogen 3.075 N/A THR 162.A OG1 GLU 158.A O no hydrogen 2.639 N/A GLY 163.A N MET 159.A O no hydrogen 2.917 N/A ASP 164.A N THR 162.A OG1 no hydrogen 3.043 N/A ILE 166.A N PHE 128.A O no hydrogen 2.788 N/A SER 167.A N ASP 170.A OD2 no hydrogen 3.304 N/A SER 167.A OG ASP 170.A OD2 no hydrogen 2.965 N/A ASP 170.A N SER 167.A OG no hydrogen 3.247 N/A ALA 171.A N SER 167.A O no hydrogen 2.972 N/A LYS 172.A N ALA 168.A O no hydrogen 2.887 N/A LYS 172.A NZ SER 178.A O no hydrogen 3.177 N/A GLN 173.A N GLN 169.A O no hydrogen 2.970 N/A ALA 174.A N ASP 170.A O no hydrogen 2.924 N/A GLY 175.A N LYS 172.A O no hydrogen 3.175 N/A LEU 176.A N ALA 171.A O no hydrogen 2.785 N/A VAL 177.A N ALA 171.A O no hydrogen 3.301 N/A SER 178.A N ILE 120.A O no hydrogen 3.145 N/A LYS 179.A NZ SER 178.A O no hydrogen 3.517 N/A PHE 181.A N ALA 122.A O no hydrogen 2.959 N/A THR 185.A N PRO 182.A O no hydrogen 3.063 N/A THR 185.A OG1 PRO 182.A O no hydrogen 3.446 N/A LEU 186.A N PRO 182.A O no hydrogen 3.042 N/A GLU 189.A N THR 185.A O no hydrogen 2.808 N/A ALA 190.A N LEU 186.A O no hydrogen 2.893 N/A ILE 191.A N VAL 187.A O no hydrogen 3.009 N/A GLN 192.A N GLU 188.A O no hydrogen 2.991 N/A CYS 193.A N GLU 189.A O no hydrogen 3.036 N/A CYS 193.A SG TYR 121.A OH no hydrogen 3.368 N/A ALA 194.A N ALA 190.A O no hydrogen 2.874 N/A GLU 195.A N ILE 191.A O no hydrogen 2.794 N/A LYS 196.A N GLN 192.A O no hydrogen 3.124 N/A ILE 197.A N CYS 193.A O no hydrogen 3.248 N/A ALA 198.A N ALA 194.A O no hydrogen 2.828 N/A ASN 199.A N GLU 195.A O no hydrogen 3.048 N/A ASN 199.A N LYS 196.A O no hydrogen 3.325 N/A ASN 200.A N ILE 197.A O no hydrogen 2.998 N/A SER 201.A OG ASP 239.A OD2 no hydrogen 2.714 N/A LYS 202.A N ASP 257.A OD1 no hydrogen 2.872 N/A LYS 202.A NZ PRO 48.A O no hydrogen 3.521 N/A LYS 202.A NZ ASP 257.A OD2 no hydrogen 3.053 N/A VAL 205.A N SER 201.A O no hydrogen 2.863 N/A ALA 206.A N LYS 202.A O no hydrogen 3.086 N/A MET 207.A N ILE 203.A O no hydrogen 3.370 N/A ALA 208.A N ILE 204.A O no hydrogen 2.977 N/A LYS 209.A N VAL 205.A O no hydrogen 2.978 N/A LYS 209.A NZ ILE 94.A O no hydrogen 2.788 N/A LYS 209.A NZ LYS 96.A O no hydrogen 2.900 N/A LYS 209.A NZ ASP 118.A OD2 no hydrogen 3.078 N/A GLU 210.A N ALA 206.A O no hydrogen 3.173 N/A SER 211.A N MET 207.A O no hydrogen 3.037 N/A VAL 212.A N ALA 208.A O no hydrogen 3.052 N/A ASN 213.A N LYS 209.A O no hydrogen 3.136 N/A ALA 214.A N GLU 210.A O no hydrogen 2.994 N/A ALA 215.A N VAL 212.A O no hydrogen 3.052 N/A PHE 216.A N ASN 213.A O no hydrogen 3.292 N/A GLU 217.A N ALA 214.A O no hydrogen 3.036 N/A GLU 222.A N THR 219.A OG1 no hydrogen 3.400 N/A GLY 223.A N THR 219.A O no hydrogen 2.772 N/A ASN 224.A N LEU 220.A O no hydrogen 2.916 N/A LYS 225.A N THR 221.A O no hydrogen 3.325 N/A LEU 226.A N GLU 222.A O no hydrogen 2.917 N/A GLU 227.A N GLY 223.A O no hydrogen 2.955 N/A LYS 228.A N ASN 224.A O no hydrogen 2.991 N/A LYS 229.A N LYS 225.A O no hydrogen 3.146 N/A LEU 230.A N LEU 226.A O no hydrogen 3.041 N/A PHE 231.A N GLU 227.A O no hydrogen 2.860 N/A TYR 232.A N LYS 228.A O no hydrogen 2.980 N/A SER 233.A N LYS 229.A O no hydrogen 2.999 N/A SER 233.A OG LEU 230.A O no hydrogen 2.734 N/A THR 234.A N LEU 230.A O no hydrogen 3.178 N/A THR 234.A N PHE 231.A O no hydrogen 3.198 N/A THR 234.A OG1 PHE 231.A O no hydrogen 3.274 N/A PHE 235.A N TYR 232.A O no hydrogen 2.925 N/A ALA 236.A N SER 233.A O no hydrogen 3.067 N/A THR 237.A N THR 234.A O no hydrogen 3.105 N/A THR 237.A OG1 THR 234.A O no hydrogen 2.727 N/A ASP 238.A N HIS 258.A OXT no hydrogen 3.027 N/A ASP 239.A N HIS 258.A O no hydrogen 2.752 N/A ARG 240.A N THR 237.A OG1 no hydrogen 3.287 N/A GLU 242.A N ASP 238.A O no hydrogen 2.886 N/A GLY 243.A N ASP 239.A O no hydrogen 2.744 N/A MET 244.A N ARG 240.A O no hydrogen 2.951 N/A SER 245.A N ARG 241.A O no hydrogen 2.847 N/A SER 245.A OG ARG 241.A O no hydrogen 2.828 N/A ALA 246.A N GLU 242.A O no hydrogen 3.128 N/A VAL 248.A N MET 244.A O no hydrogen 3.446 N/A GLU 249.A N SER 245.A O no hydrogen 2.641 N/A LYS 250.A N PHE 247.A O no hydrogen 2.986 N/A ARG 251.A N ALA 246.A O no hydrogen 2.715 N/A ASN 254.A ND2 GLU 242.A OE2 no hydrogen 3.475 N/A LYS 256.A N ASP 239.A OD1 no hydrogen 2.722 N/A HIS 258.A N ASP 239.A OD2 no hydrogen 2.700 N/A