Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uc3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N LEU 1.A O no hydrogen 2.804 N/A HIS 7.A ND1 ASP 8.A OD2 no hydrogen 2.750 N/A HIS 7.A NE2 TYR 42.A OH no hydrogen 2.645 N/A ARG 11.A N ASP 8.A O no hydrogen 3.069 N/A ARG 11.A NH1 GLU 73.A OE1 no hydrogen 3.523 N/A ARG 11.A NH2 GLU 73.A OE1 no hydrogen 2.981 N/A ARG 11.A NH2 GLU 73.A OE2 no hydrogen 2.498 N/A TYR 12.A N ASP 8.A O no hydrogen 3.042 N/A TYR 12.A OH GLU 73.A OE2 no hydrogen 2.479 N/A ASP 13.A N ARG 30.A O no hydrogen 2.857 N/A VAL 15.A N LEU 28.A O no hydrogen 2.970 N/A LYS 16.A N LEU 28.A O no hydrogen 3.191 N/A ILE 18.A N ALA 26.A O no hydrogen 2.717 N/A GLY 24.A N GLY 21.A O no hydrogen 2.936 N/A ALA 26.A N ILE 18.A O no hydrogen 3.020 N/A ARG 27.A N VAL 40.A O no hydrogen 2.987 N/A ARG 27.A NE ASP 17.A OD1 no hydrogen 2.799 N/A ARG 27.A NH1 PRO 4.A O no hydrogen 2.868 N/A ARG 27.A NH1 TYR 42.A OH no hydrogen 3.111 N/A ARG 27.A NH2 PRO 4.A O no hydrogen 3.000 N/A ARG 27.A NH2 ASP 17.A OD2 no hydrogen 3.333 N/A LEU 28.A N LYS 16.A O no hydrogen 2.688 N/A MET 29.A N VAL 38.A O no hydrogen 2.994 N/A ARG 30.A N ASP 13.A O no hydrogen 2.828 N/A ARG 30.A NH1 LYS 35.A O no hydrogen 2.956 N/A ASP 31.A N GLU 36.A O no hydrogen 3.053 N/A LYS 32.A N ARG 11.A O no hydrogen 2.879 N/A LYS 32.A NZ SER 9.A O no hydrogen 3.314 N/A LEU 33.A N ASP 31.A OD1 no hydrogen 2.921 N/A THR 34.A N ASP 31.A OD1 no hydrogen 3.181 N/A LYS 35.A N ASP 31.A O no hydrogen 2.800 N/A GLU 36.A N THR 34.A OG1 no hydrogen 3.361 N/A VAL 38.A N MET 29.A O no hydrogen 2.743 N/A ALA 39.A N MET 85.A O no hydrogen 2.831 N/A VAL 40.A N ARG 27.A O no hydrogen 2.795 N/A LYS 41.A N ILE 83.A O no hydrogen 2.890 N/A LYS 41.A NZ PHE 23.A O no hydrogen 2.652 N/A LYS 41.A NZ VAL 25.A O no hydrogen 2.694 N/A TYR 42.A OH HIS 7.A NE2 no hydrogen 2.645 N/A ILE 43.A N LEU 81.A O no hydrogen 3.074 N/A ARG 45.A N THR 79.A O no hydrogen 3.046 N/A ARG 45.A NE ILE 271.A O no hydrogen 3.003 N/A ARG 45.A NH1 THR 77.A O no hydrogen 2.892 N/A ARG 45.A NH2 GLU 268.A O no hydrogen 3.340 N/A ARG 45.A NH2 ILE 271.A O no hydrogen 2.957 N/A GLY 46.A N ALA 269.A O no hydrogen 2.937 N/A ILE 49.A N GLY 46.A O no hydrogen 3.076 N/A VAL 53.A N ASP 50.A OD1 no hydrogen 2.813 N/A GLN 54.A N ASP 50.A O no hydrogen 2.972 N/A GLN 54.A NE2 ILE 49.A O no hydrogen 3.254 N/A ARG 55.A N GLU 51.A O no hydrogen 2.772 N/A GLU 56.A N ASN 52.A O no hydrogen 2.891 N/A ILE 57.A N VAL 53.A O no hydrogen 2.961 N/A ILE 58.A N GLN 54.A O no hydrogen 2.998 N/A ASN 59.A N ARG 55.A O no hydrogen 2.868 N/A HIS 60.A N GLU 56.A O no hydrogen 2.723 N/A ARG 61.A N ILE 57.A O no hydrogen 2.857 N/A SER 62.A N ILE 58.A O no hydrogen 3.220 N/A SER 62.A OG ASN 59.A O no hydrogen 2.598 N/A LEU 63.A N ASN 59.A O no hydrogen 3.244 N/A LEU 63.A N HIS 60.A O no hydrogen 3.114 N/A ARG 64.A N TYR 121.A OH no hydrogen 2.853 N/A ASN 67.A ND2 HIS 65.A NE2 no hydrogen 3.442 N/A ILE 68.A N HIS 65.A O no hydrogen 3.180 N/A VAL 69.A N ILE 149.A O no hydrogen 3.036 N/A ARG 70.A N GLU 86.A OE1 no hydrogen 2.854 N/A LYS 72.A N ILE 84.A O no hydrogen 2.938 N/A LYS 72.A NZ GLU 36.A OE2 no hydrogen 2.934 N/A GLU 73.A N ILE 84.A O no hydrogen 3.222 N/A VAL 74.A N GLN 257.A OE1 no hydrogen 2.885 N/A ILE 75.A N ALA 82.A O no hydrogen 2.876 N/A THR 77.A N HIS 80.A O no hydrogen 2.964 N/A LEU 81.A N ILE 43.A O no hydrogen 2.763 N/A ALA 82.A N ILE 75.A O no hydrogen 2.826 N/A ILE 83.A N LYS 41.A O no hydrogen 2.785 N/A ILE 84.A N GLU 73.A O no hydrogen 2.785 N/A MET 85.A N ALA 39.A O no hydrogen 2.929 N/A GLU 86.A N ARG 70.A O no hydrogen 2.840 N/A GLY 90.A N LEU 139.A O no hydrogen 2.799 N/A GLU 92.A N GLU 95.A OE1 no hydrogen 2.940 N/A LEU 93.A N THR 137.A O no hydrogen 2.863 N/A ARG 96.A N GLU 92.A O no hydrogen 3.366 N/A ARG 96.A NE GLU 107.A OE1 no hydrogen 2.862 N/A ARG 96.A NH2 GLU 107.A OE1 no hydrogen 2.789 N/A ILE 97.A N LEU 93.A O no hydrogen 2.999 N/A CYS 98.A N TYR 94.A O no hydrogen 2.940 N/A ASN 99.A N GLU 95.A O no hydrogen 2.881 N/A ALA 100.A N ARG 96.A O no hydrogen 2.997 N/A GLY 101.A N CYS 98.A O no hydrogen 3.380 N/A PHE 103.A N MET 186.A O no hydrogen 2.733 N/A GLU 107.A N SER 104.A OG no hydrogen 3.182 N/A ALA 108.A N SER 104.A O no hydrogen 2.961 N/A ARG 109.A N GLU 105.A O no hydrogen 2.893 N/A ARG 109.A NE TRP 248.A O no hydrogen 2.822 N/A ARG 109.A NH2 TRP 248.A O no hydrogen 2.859 N/A PHE 110.A N ASP 106.A O no hydrogen 2.954 N/A PHE 111.A N GLU 107.A O no hydrogen 3.165 N/A PHE 112.A N ALA 108.A O no hydrogen 2.763 N/A GLN 113.A N ARG 109.A O no hydrogen 2.917 N/A GLN 113.A NE2 PRO 254.A O no hydrogen 2.967 N/A GLN 114.A NE2 PHE 110.A O no hydrogen 3.371 N/A GLN 114.A NE2 PRO 145.A O no hydrogen 3.453 N/A LEU 115.A N PHE 111.A O no hydrogen 2.871 N/A LEU 116.A N PHE 112.A O no hydrogen 2.910 N/A SER 117.A N GLN 113.A O no hydrogen 2.982 N/A SER 117.A OG HIS 65.A NE2 no hydrogen 2.872 N/A GLY 118.A N GLN 114.A O no hydrogen 3.034 N/A VAL 119.A N LEU 115.A O no hydrogen 2.883 N/A SER 120.A N LEU 116.A O no hydrogen 2.836 N/A TYR 121.A N SER 117.A O no hydrogen 3.013 N/A TYR 121.A OH SER 62.A O no hydrogen 3.185 N/A CYS 122.A N GLY 118.A O no hydrogen 2.979 N/A CYS 122.A SG GLY 118.A O no hydrogen 3.555 N/A HIS 123.A N VAL 119.A O no hydrogen 2.912 N/A HIS 123.A ND1 ILE 127.A O no hydrogen 3.370 N/A SER 124.A N SER 120.A O no hydrogen 3.023 N/A SER 124.A OG TYR 121.A O no hydrogen 2.658 N/A MET 125.A N TYR 121.A O no hydrogen 3.129 N/A MET 125.A N CYS 122.A O no hydrogen 2.908 N/A GLN 126.A N HIS 123.A O no hydrogen 2.859 N/A GLN 126.A NE2 SER 124.A O no hydrogen 3.337 N/A ILE 127.A N CYS 122.A O no hydrogen 2.976 N/A HIS 129.A N GLY 171.A O no hydrogen 3.377 N/A HIS 129.A N ASP 175.A OD2 no hydrogen 3.066 N/A ARG 130.A N ASP 175.A OD1 no hydrogen 2.965 N/A ARG 130.A NE ASP 151.A OD1 no hydrogen 2.753 N/A ARG 130.A NH1 GLU 56.A OE1 no hydrogen 3.404 N/A ARG 130.A NH2 GLU 56.A OE1 no hydrogen 3.169 N/A ARG 130.A NH2 GLU 56.A OE2 no hydrogen 3.533 N/A ASP 131.A N ASP 151.A OD1 no hydrogen 2.986 N/A LYS 133.A N ASP 131.A OD1 no hydrogen 3.466 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.739 N/A ASN 136.A N LYS 133.A O no hydrogen 2.956 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.906 N/A THR 137.A N LEU 134.A O no hydrogen 3.111 N/A THR 137.A OG1 LYS 133.A O no hydrogen 3.072 N/A LEU 138.A N LYS 148.A O no hydrogen 2.964 N/A LEU 139.A N GLY 91.A O no hydrogen 2.864 N/A ASP 140.A N ARG 146.A O no hydrogen 2.891 N/A SER 142.A N ASP 140.A OD2 no hydrogen 2.918 N/A SER 142.A OG ASP 140.A OD1 no hydrogen 3.045 N/A SER 142.A OG ASP 140.A OD2 no hydrogen 3.167 N/A ARG 146.A N ASP 140.A OD2 no hydrogen 2.847 N/A LEU 147.A N GLN 114.A OE1 no hydrogen 2.872 N/A LYS 148.A N LEU 138.A O no hydrogen 2.730 N/A LYS 148.A NZ PRO 66.A O no hydrogen 2.777 N/A LYS 148.A NZ GLU 86.A OE2 no hydrogen 2.705 N/A ILE 149.A N ASN 67.A O no hydrogen 2.780 N/A CYS 150.A N ASN 136.A O no hydrogen 2.841 N/A GLY 153.A N GLU 56.A OE2 no hydrogen 2.773 N/A TYR 154.A N PHE 152.A O no hydrogen 2.923 N/A TYR 158.A OH THR 182.A OG1 no hydrogen 2.776 N/A ILE 159.A N PRO 156.A O no hydrogen 3.236 N/A GLU 162.A N GLU 162.A OE2 no hydrogen 2.760 N/A VAL 163.A N ALA 160.A O no hydrogen 2.975 N/A LEU 164.A N PRO 161.A O no hydrogen 2.969 N/A LEU 165.A N PRO 161.A O no hydrogen 2.953 N/A ARG 166.A N GLU 162.A O no hydrogen 2.843 N/A LYS 172.A NZ GLN 126.A OE1 no hydrogen 2.869 N/A ILE 173.A N ASP 170.A OD2 no hydrogen 3.172 N/A ALA 174.A N ASP 170.A O no hydrogen 3.095 N/A ASP 175.A N GLY 171.A O no hydrogen 3.081 N/A VAL 176.A N LYS 172.A O no hydrogen 3.342 N/A TRP 177.A N ILE 173.A O no hydrogen 3.472 N/A TRP 177.A NE1 ALA 157.A O no hydrogen 3.087 N/A SER 178.A N ALA 174.A O no hydrogen 3.290 N/A SER 178.A OG TYR 158.A O no hydrogen 3.368 N/A CYS 179.A N ASP 175.A O no hydrogen 3.007 N/A CYS 179.A SG ASP 175.A O no hydrogen 3.407 N/A GLY 180.A N VAL 176.A O no hydrogen 3.086 N/A VAL 181.A N TRP 177.A O no hydrogen 3.091 N/A THR 182.A N SER 178.A O no hydrogen 3.088 N/A THR 182.A OG1 TYR 158.A OH no hydrogen 2.776 N/A LEU 183.A N CYS 179.A O no hydrogen 2.965 N/A TYR 184.A N GLY 180.A O no hydrogen 2.846 N/A TYR 184.A OH SER 211.A O no hydrogen 2.824 N/A VAL 185.A N VAL 181.A O no hydrogen 2.943 N/A MET 186.A N THR 182.A O no hydrogen 3.064 N/A LEU 187.A N LEU 183.A O no hydrogen 3.107 N/A VAL 188.A N TYR 184.A O no hydrogen 2.875 N/A GLY 189.A N VAL 185.A O no hydrogen 2.723 N/A LYS 200.A N ASP 197.A OD2 no hydrogen 3.108 N/A THR 201.A N ASP 197.A O no hydrogen 3.077 N/A THR 201.A OG1 PHE 193.A O no hydrogen 3.208 N/A THR 201.A OG1 ASP 197.A O no hydrogen 3.320 N/A ILE 202.A N TYR 198.A O no hydrogen 2.806 N/A GLN 203.A N ARG 199.A O no hydrogen 2.870 N/A ARG 204.A N LYS 200.A O no hydrogen 2.863 N/A ILE 205.A N THR 201.A O no hydrogen 2.710 N/A LEU 206.A N ILE 202.A O no hydrogen 2.858 N/A SER 207.A N GLN 203.A O no hydrogen 3.082 N/A SER 207.A OG GLN 203.A O no hydrogen 2.878 N/A VAL 208.A N ILE 205.A O no hydrogen 3.032 N/A LYS 209.A N ARG 204.A O no hydrogen 2.862 N/A LYS 209.A NZ GLN 203.A OE1 no hydrogen 3.407 N/A LYS 209.A NZ SER 207.A OG no hydrogen 3.267 N/A ILE 216.A N PRO 213.A O no hydrogen 3.223 N/A SER 219.A N GLU 105.A OE1 no hydrogen 2.815 N/A SER 219.A OG GLU 105.A OE1 no hydrogen 3.525 N/A SER 219.A OG GLU 105.A OE2 no hydrogen 2.848 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.875 N/A CYS 222.A N SER 219.A OG no hydrogen 3.232 N/A CYS 223.A N SER 219.A O no hydrogen 3.036 N/A CYS 223.A SG SER 219.A O no hydrogen 3.581 N/A HIS 224.A N PRO 220.A O no hydrogen 2.880 N/A LEU 225.A N GLU 221.A O no hydrogen 3.033 N/A ILE 226.A N CYS 222.A O no hydrogen 3.103 N/A SER 227.A N CYS 223.A O no hydrogen 3.034 N/A SER 227.A OG HIS 224.A O no hydrogen 2.630 N/A ARG 228.A N HIS 224.A O no hydrogen 3.058 N/A ARG 228.A N LEU 225.A O no hydrogen 2.975 N/A ARG 228.A NH1 THR 236.A O no hydrogen 2.955 N/A ILE 229.A N LEU 225.A O no hydrogen 3.154 N/A ILE 229.A N ILE 226.A O no hydrogen 3.088 N/A PHE 230.A N ILE 226.A O no hydrogen 2.920 N/A VAL 231.A N ILE 229.A O no hydrogen 2.862 N/A ALA 235.A N ASP 233.A OD1 no hydrogen 3.043 N/A THR 236.A N ASP 233.A O no hydrogen 3.173 N/A THR 236.A OG1 ASP 233.A O no hydrogen 3.474 N/A ARG 237.A N ASP 233.A O no hydrogen 3.205 N/A ARG 237.A NE VAL 231.A O no hydrogen 2.922 N/A ARG 237.A NH1 GLU 162.A OE2 no hydrogen 2.852 N/A ARG 237.A NH1 VAL 231.A O no hydrogen 2.762 N/A ARG 237.A NH2 GLU 162.A OE1 no hydrogen 2.779 N/A ARG 237.A NH2 GLU 162.A OE2 no hydrogen 3.543 N/A ARG 237.A NH2 ILE 173.A O no hydrogen 2.989 N/A ILE 238.A N ARG 228.A O no hydrogen 3.038 N/A SER 239.A N GLU 242.A OE1 no hydrogen 2.941 N/A GLU 242.A N SER 239.A OG no hydrogen 3.397 N/A ILE 243.A N SER 239.A O no hydrogen 2.901 N/A LYS 244.A N ILE 240.A O no hydrogen 2.951 N/A THR 245.A N GLU 242.A O no hydrogen 3.265 N/A THR 245.A OG1 GLU 242.A O no hydrogen 3.261 N/A HIS 246.A N ILE 243.A O no hydrogen 3.019 N/A HIS 246.A NE2 GLU 221.A O no hydrogen 3.041 N/A TRP 248.A NE1 GLU 105.A OE2 no hydrogen 2.617 N/A LEU 250.A N HIS 246.A O no hydrogen 3.063 N/A LYS 251.A N SER 247.A O no hydrogen 3.119 N/A LEU 253.A N LEU 250.A O no hydrogen 3.309 N/A GLN 257.A NE2 VAL 74.A O no hydrogen 3.151 N/A SER 258.A OG ASP 260.A OD1 no hydrogen 2.648 N/A ILE 262.A N SER 258.A O no hydrogen 2.990 N/A MET 263.A N LEU 259.A O no hydrogen 2.933 N/A GLN 264.A N ASP 260.A O no hydrogen 2.920 N/A ILE 265.A N THR 261.A O no hydrogen 2.985 N/A ILE 266.A N ILE 262.A O no hydrogen 2.853 N/A SER 267.A N MET 263.A O no hydrogen 2.794 N/A GLU 268.A N GLN 264.A O no hydrogen 2.908 N/A ALA 269.A N ILE 265.A O no hydrogen 2.916 N/A THR 270.A N SER 267.A O no hydrogen 3.118 N/A THR 270.A OG1 SER 267.A O no hydrogen 2.403 N/A ILE 271.A N GLU 268.A O no hydrogen 3.076 N/A