Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wtc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 28.A O no hydrogen 3.074 N/A LEU 3.A N ASP 28.A O no hydrogen 2.774 N/A SER 4.A N MET 1.A O no hydrogen 3.134 N/A LYS 6.A N LEU 3.A O no hydrogen 3.013 N/A ILE 7.A N ASP 84.A OD2 no hydrogen 2.793 N/A ALA 8.A N ASP 31.A O no hydrogen 2.865 N/A ALA 9.A N ILE 85.A O no hydrogen 2.822 N/A VAL 10.A N ILE 33.A O no hydrogen 2.939 N/A THR 11.A N VAL 87.A O no hydrogen 3.137 N/A THR 11.A OG1 VAL 87.A O no hydrogen 3.490 N/A ALA 13.A N LEU 35.A O no hydrogen 3.155 N/A ALA 14.A N ASP 36.A OD2 no hydrogen 2.909 N/A LYS 19.A N GLN 15.A O no hydrogen 3.217 N/A LYS 19.A NZ GLU 48.A OE2 no hydrogen 2.719 N/A ALA 20.A N GLY 16.A O no hydrogen 3.070 N/A ILE 21.A N ILE 17.A O no hydrogen 2.860 N/A ALA 22.A N GLY 18.A O no hydrogen 2.874 N/A LEU 23.A N LYS 19.A O no hydrogen 2.886 N/A ARG 24.A N ALA 20.A O no hydrogen 2.967 N/A LEU 25.A N ILE 21.A O no hydrogen 2.891 N/A ALA 26.A N ALA 22.A O no hydrogen 2.985 N/A LYS 27.A N LEU 23.A O no hydrogen 2.924 N/A ASP 28.A N ARG 24.A O no hydrogen 3.014 N/A GLY 29.A N ALA 26.A O no hydrogen 2.972 N/A ALA 30.A N LEU 25.A O no hydrogen 2.982 N/A ASP 31.A N LYS 6.A O no hydrogen 3.018 N/A VAL 32.A N ARG 55.A O no hydrogen 3.010 N/A ILE 33.A N ALA 8.A O no hydrogen 2.794 N/A LEU 34.A N VAL 57.A O no hydrogen 2.750 N/A LEU 35.A N VAL 10.A O no hydrogen 3.083 N/A VAL 37.A N ASP 36.A OD1 no hydrogen 2.679 N/A LYS 38.A NZ ASP 40.A OD2 no hydrogen 3.314 N/A GLN 39.A NE2 ALA 58.A O no hydrogen 3.350 N/A THR 41.A OG1 LYS 38.A O no hydrogen 3.364 N/A LEU 42.A N LYS 38.A O no hydrogen 3.109 N/A ALA 43.A N GLN 39.A O no hydrogen 2.861 N/A GLU 44.A N ASP 40.A O no hydrogen 3.322 N/A THR 45.A N THR 41.A O no hydrogen 3.242 N/A THR 45.A OG1 ALA 14.A O no hydrogen 2.820 N/A THR 45.A OG1 THR 41.A O no hydrogen 3.448 N/A ALA 46.A N LEU 42.A O no hydrogen 2.867 N/A LYS 47.A N ALA 43.A O no hydrogen 3.011 N/A GLU 48.A N GLU 44.A O no hydrogen 3.223 N/A VAL 49.A N THR 45.A O no hydrogen 3.120 N/A GLU 50.A N ALA 46.A O no hydrogen 2.887 N/A ALA 51.A N LYS 47.A O no hydrogen 2.937 N/A LEU 52.A N VAL 49.A O no hydrogen 3.042 N/A GLY 53.A N GLU 50.A O no hydrogen 2.879 N/A ARG 54.A NE ASP 31.A OD1 no hydrogen 2.891 N/A ARG 55.A N ASP 31.A OD1 no hydrogen 2.912 N/A ARG 55.A NE ASP 31.A OD2 no hydrogen 2.805 N/A ARG 55.A NH2 ASP 31.A OD2 no hydrogen 2.885 N/A ARG 55.A NH2 LEU 80.A O no hydrogen 2.883 N/A VAL 57.A N VAL 32.A O no hydrogen 3.029 N/A LEU 59.A N LEU 34.A O no hydrogen 3.018 N/A ALA 61.A N ASP 36.A O no hydrogen 2.980 N/A SER 64.A N ASP 62.A OD1 no hydrogen 2.890 N/A SER 64.A OG ASP 62.A OD1 no hydrogen 2.687 N/A SER 64.A OG ASP 62.A OD2 no hydrogen 3.123 N/A ASN 65.A N ASP 62.A O no hydrogen 3.003 N/A ARG 66.A NE GLN 122.A OE1 no hydrogen 2.714 N/A ARG 66.A NH2 GLN 122.A OE1 no hydrogen 3.291 N/A GLN 68.A N ASN 65.A OD1 no hydrogen 3.025 N/A PHE 69.A N ASN 65.A O no hydrogen 2.949 N/A ARG 70.A N ARG 66.A O no hydrogen 3.138 N/A SER 71.A N ASP 67.A O no hydrogen 3.041 N/A SER 71.A OG ASP 67.A O no hydrogen 3.213 N/A SER 71.A OG GLN 68.A O no hydrogen 3.279 N/A THR 72.A N GLN 68.A O no hydrogen 2.839 N/A THR 72.A OG1 GLN 68.A O no hydrogen 3.220 N/A LEU 73.A N PHE 69.A O no hydrogen 2.911 N/A ALA 74.A N ARG 70.A O no hydrogen 3.045 N/A ASP 75.A N SER 71.A O no hydrogen 2.883 N/A ALA 76.A N THR 72.A O no hydrogen 3.054 N/A ALA 77.A N LEU 73.A O no hydrogen 2.932 N/A LYS 78.A N ALA 74.A O no hydrogen 2.966 N/A THR 79.A N ASP 75.A O no hydrogen 3.037 N/A THR 79.A OG1 ASP 75.A O no hydrogen 3.104 N/A LEU 80.A N ALA 76.A O no hydrogen 3.154 N/A GLY 81.A N LYS 78.A O no hydrogen 3.252 N/A GLY 82.A N ALA 77.A O no hydrogen 2.973 N/A ASP 84.A N ILE 7.A O no hydrogen 2.795 N/A ILE 85.A N ILE 7.A O no hydrogen 3.225 N/A MET 86.A N LYS 136.A O no hydrogen 2.874 N/A VAL 87.A N ALA 9.A O no hydrogen 2.801 N/A ASN 88.A N ILE 138.A O no hydrogen 2.802 N/A ASN 89.A ND2 TYR 183.A OH no hydrogen 2.776 N/A ALA 90.A N THR 11.A OG1 no hydrogen 2.971 N/A ILE 92.A N ASN 113.A OD1 no hydrogen 2.801 N/A CYS 93.A SG GLN 94.A O no hydrogen 3.796 N/A GLN 94.A NE2 GLU 105.A O no hydrogen 3.006 N/A LYS 96.A N LEU 151.A O no hydrogen 2.867 N/A LYS 96.A NZ GLU 105.A OE1 no hydrogen 2.977 N/A LYS 96.A NZ GLU 105.A OE2 no hydrogen 3.060 N/A ASP 100.A N PRO 97.A O no hydrogen 2.852 N/A GLU 102.A N GLU 105.A OE1 no hydrogen 2.993 N/A ILE 106.A N GLU 102.A O no hydrogen 3.106 N/A GLU 107.A N PRO 103.A O no hydrogen 2.970 N/A LYS 108.A N ALA 104.A O no hydrogen 3.044 N/A ILE 109.A N GLU 105.A O no hydrogen 3.198 N/A PHE 110.A N ILE 106.A O no hydrogen 3.082 N/A SER 111.A N GLU 107.A O no hydrogen 2.914 N/A ILE 112.A N LYS 108.A O no hydrogen 3.125 N/A ASN 113.A N ILE 109.A O no hydrogen 2.817 N/A ASN 113.A ND2 ILE 92.A O no hydrogen 2.941 N/A ASN 113.A ND2 THR 158.A OG1 no hydrogen 3.018 N/A VAL 114.A N PHE 110.A O no hydrogen 2.979 N/A GLN 115.A N PHE 110.A O no hydrogen 2.939 N/A LEU 118.A N VAL 114.A O no hydrogen 2.962 N/A TRP 119.A N GLN 115.A O no hydrogen 2.733 N/A GLY 120.A N GLY 116.A O no hydrogen 3.054 N/A MET 121.A N VAL 117.A O no hydrogen 2.894 N/A GLN 122.A N LEU 118.A O no hydrogen 2.854 N/A ALA 123.A N TRP 119.A O no hydrogen 2.871 N/A ALA 124.A N GLY 120.A O no hydrogen 2.967 N/A ALA 125.A N MET 121.A O no hydrogen 2.938 N/A THR 126.A N GLN 122.A O no hydrogen 2.977 N/A THR 126.A OG1 GLN 122.A O no hydrogen 2.760 N/A LEU 127.A N ALA 123.A O no hydrogen 3.438 N/A PHE 128.A N ALA 124.A O no hydrogen 2.913 N/A LYS 129.A N ALA 125.A O no hydrogen 2.892 N/A LYS 129.A NZ SER 176.A OG no hydrogen 2.945 N/A GLU 130.A N THR 126.A O no hydrogen 2.960 N/A LYS 131.A N LEU 127.A O no hydrogen 3.194 N/A GLY 132.A N LYS 129.A O no hydrogen 3.094 N/A THR 133.A N PHE 128.A O no hydrogen 2.718 N/A THR 133.A OG1 LEU 83.A O no hydrogen 3.533 N/A LYS 136.A N ASP 84.A O no hydrogen 2.978 N/A LYS 136.A NZ SER 239.A O no hydrogen 3.567 N/A LYS 136.A NZ ASP 243.A OD1 no hydrogen 2.715 N/A ILE 137.A N THR 179.A O no hydrogen 2.907 N/A ILE 138.A N MET 86.A O no hydrogen 2.823 N/A ASN 139.A N ASN 181.A O no hydrogen 2.909 N/A ASN 139.A ND2 THR 166.A OG1 no hydrogen 3.030 N/A ALA 140.A N ASN 88.A O no hydrogen 2.954 N/A CYS 141.A N TYR 183.A O no hydrogen 2.725 N/A CYS 141.A SG SER 142.A O no hydrogen 3.926 N/A CYS 141.A SG LYS 159.A O no hydrogen 3.476 N/A ILE 143.A N PRO 185.A O no hydrogen 2.874 N/A ALA 144.A N SER 142.A OG no hydrogen 2.951 N/A GLY 145.A N SER 142.A O no hydrogen 2.834 N/A HIS 146.A N ILE 143.A O no hydrogen 2.991 N/A HIS 146.A NE2 SER 249.A O no hydrogen 3.053 N/A GLU 147.A N ILE 143.A O no hydrogen 3.099 N/A TYR 149.A N SER 156.A OG no hydrogen 3.251 N/A LEU 152.A N TYR 149.A O no hydrogen 3.099 N/A SER 156.A N LEU 152.A O no hydrogen 2.755 N/A SER 156.A OG LEU 152.A O no hydrogen 2.792 N/A ALA 157.A N GLY 153.A O no hydrogen 2.878 N/A THR 158.A N ALA 154.A O no hydrogen 3.016 N/A THR 158.A OG1 TYR 155.A O no hydrogen 2.749 N/A LYS 159.A N TYR 155.A O no hydrogen 2.908 N/A LYS 159.A NZ ALA 140.A O no hydrogen 2.772 N/A PHE 160.A N SER 156.A O no hydrogen 2.853 N/A ALA 161.A N ALA 157.A O no hydrogen 3.006 N/A VAL 162.A N THR 158.A O no hydrogen 2.938 N/A ARG 163.A N LYS 159.A O no hydrogen 3.058 N/A ARG 163.A NH1 GLY 145.A O no hydrogen 2.928 N/A ALA 164.A N PHE 160.A O no hydrogen 2.984 N/A LEU 165.A N ALA 161.A O no hydrogen 2.958 N/A THR 166.A N VAL 162.A O no hydrogen 2.920 N/A THR 166.A OG1 VAL 162.A O no hydrogen 2.856 N/A GLN 167.A N ARG 163.A O no hydrogen 3.040 N/A SER 168.A N ALA 164.A O no hydrogen 2.935 N/A SER 168.A OG ALA 164.A O no hydrogen 3.488 N/A ALA 169.A N LEU 165.A O no hydrogen 2.920 N/A ALA 170.A N THR 166.A O no hydrogen 2.883 N/A LYS 171.A N GLN 167.A O no hydrogen 3.071 N/A GLU 172.A N SER 168.A O no hydrogen 2.985 N/A LEU 173.A N ALA 169.A O no hydrogen 2.873 N/A ALA 174.A N ALA 170.A O no hydrogen 3.197 N/A SER 176.A N LEU 173.A O no hydrogen 2.988 N/A GLY 177.A N ALA 174.A O no hydrogen 2.888 N/A ILE 178.A N LEU 173.A O no hydrogen 3.300 N/A THR 179.A N GLY 135.A O no hydrogen 3.121 N/A VAL 180.A N THR 246.A OG1 no hydrogen 3.065 N/A ASN 181.A N ILE 137.A O no hydrogen 3.076 N/A ASN 181.A ND2 GLN 248.A O no hydrogen 3.661 N/A SER 182.A N GLN 248.A O no hydrogen 2.746 N/A SER 182.A OG SER 249.A OG no hydrogen 2.673 N/A TYR 183.A N ASN 139.A O no hydrogen 2.961 N/A CYS 184.A N VAL 250.A O no hydrogen 2.795 N/A CYS 184.A SG HIS 146.A NE2 no hydrogen 3.590 N/A GLY 186.A N GLU 225.A OE1 no hydrogen 2.885 N/A TRP 193.A N THR 190.A O no hydrogen 3.025 N/A VAL 194.A N THR 190.A O no hydrogen 3.291 N/A THR 195.A N ASP 191.A O no hydrogen 3.241 N/A THR 195.A OG1 ASP 191.A O no hydrogen 3.233 N/A ILE 196.A N MET 192.A O no hydrogen 2.758 N/A ASP 197.A N TRP 193.A O no hydrogen 2.702 N/A LYS 198.A N VAL 194.A O no hydrogen 2.953 N/A ARG 199.A N THR 195.A O no hydrogen 2.909 N/A MET 200.A N ILE 196.A O no hydrogen 2.756 N/A ALA 201.A N ASP 197.A O no hydrogen 3.265 N/A GLU 202.A N LYS 198.A O no hydrogen 3.117 N/A ILE 203.A N ARG 199.A O no hydrogen 2.909 N/A THR 204.A N MET 200.A O no hydrogen 2.855 N/A THR 204.A OG1 MET 200.A O no hydrogen 2.533 N/A THR 204.A OG1 THR 206.A OG1 no hydrogen 2.795 N/A GLY 205.A N ALA 201.A O no hydrogen 2.855 N/A THR 206.A OG1 THR 204.A OG1 no hydrogen 2.795 N/A GLY 209.A N ASP 197.A OD1 no hydrogen 2.912 N/A ALA 210.A N GLU 207.A O no hydrogen 3.228 N/A THR 211.A N ASP 197.A OD2 no hydrogen 2.766 N/A TYR 212.A N ASP 197.A OD2 no hydrogen 2.785 N/A LYS 213.A N GLY 209.A O no hydrogen 3.084 N/A LYS 214.A N ALA 210.A O no hydrogen 3.246 N/A TYR 215.A N THR 211.A O no hydrogen 3.008 N/A VAL 216.A N TYR 212.A O no hydrogen 2.644 N/A GLU 217.A N TYR 212.A O no hydrogen 3.262 N/A GLY 218.A N TYR 215.A O no hydrogen 3.281 N/A ALA 220.A N GLY 255.A O no hydrogen 2.966 N/A LEU 221.A N GLY 254.A O no hydrogen 2.948 N/A GLY 222.A N ILE 219.A O no hydrogen 2.957 N/A GLU 225.A N ILE 187.A O no hydrogen 2.887 N/A THR 226.A N ASP 229.A OD2 no hydrogen 2.970 N/A ASP 229.A N THR 226.A OG1 no hydrogen 3.111 N/A VAL 230.A N THR 226.A O no hydrogen 3.379 N/A ALA 231.A N ALA 227.A O no hydrogen 2.915 N/A GLY 232.A N ASP 228.A O no hydrogen 2.991 N/A PHE 233.A N VAL 230.A O no hydrogen 3.083 N/A VAL 234.A N VAL 230.A O no hydrogen 3.043 N/A ALA 235.A N ALA 231.A O no hydrogen 2.861 N/A TYR 236.A N GLY 232.A O no hydrogen 3.241 N/A TYR 236.A OH ASP 241.A O no hydrogen 2.803 N/A LEU 237.A N PHE 233.A O no hydrogen 2.969 N/A SER 238.A N VAL 234.A O no hydrogen 2.866 N/A SER 238.A OG VAL 234.A O no hydrogen 2.871 N/A SER 239.A N TYR 236.A O no hydrogen 2.961 N/A SER 239.A OG TYR 236.A O no hydrogen 2.779 N/A ASP 241.A N SER 239.A OG no hydrogen 3.182 N/A ALA 242.A N SER 239.A O no hydrogen 3.106 N/A ASP 243.A N SER 240.A O no hydrogen 3.049 N/A MET 245.A N ALA 242.A O no hydrogen 3.057 N/A THR 246.A OG1 VAL 180.A O no hydrogen 3.522 N/A GLY 247.A N VAL 180.A O no hydrogen 2.770 N/A SER 249.A OG SER 182.A OG no hydrogen 2.673 N/A VAL 250.A N SER 182.A O no hydrogen 3.065 N/A ILE 252.A N CYS 184.A O no hydrogen 3.071 N/A GLY 255.A N ASP 253.A OD1 no hydrogen 2.780 N/A LEU 256.A N ASP 253.A OD1 no hydrogen 3.253 N/A LEU 256.A N ASP 253.A OD2 no hydrogen 3.243 N/A VAL 257.A N ASP 253.A OD2 no hydrogen 2.816 N/A ARG 259.A NH1 PHE 258.A O no hydrogen 3.044 N/A ARG 259.A NH2 HIS 146.A O no hydrogen 3.127 N/A ARG 259.A NH2 GLU 147.A OE1 no hydrogen 3.373 N/A