Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tmq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLY 191.A O no hydrogen 3.028 N/A VAL 3.A N ALA 11.A O no hydrogen 2.759 N/A ILE 5.A N VAL 9.A O no hydrogen 2.892 N/A SER 6.A N VAL 9.A O no hydrogen 3.318 N/A VAL 9.A N SER 6.A O no hydrogen 2.895 N/A ALA 11.A N VAL 3.A O no hydrogen 2.888 N/A ASN 13.A ND2 CYS 192.A O no hydrogen 2.829 N/A LEU 15.A N GLY 12.A O no hydrogen 3.022 N/A PHE 17.A N ASP 269.A OD2 no hydrogen 3.015 N/A VAL 18.A N ALA 232.A O no hydrogen 3.014 N/A LEU 19.A N PRO 49.A O no hydrogen 2.885 N/A PHE 20.A N LEU 234.A O no hydrogen 2.805 N/A GLY 21.A N VAL 51.A O no hydrogen 2.990 N/A GLY 22.A N LEU 236.A O no hydrogen 2.859 N/A ILE 23.A N LYS 53.A O no hydrogen 3.002 N/A ASN 24.A ND2 GLU 237.A OE1 no hydrogen 2.851 N/A LEU 26.A N SER 55.A O no hydrogen 2.869 N/A THR 32.A N SER 28.A O no hydrogen 3.231 N/A THR 32.A OG1 SER 28.A O no hydrogen 2.679 N/A LEU 33.A N LEU 29.A O no hydrogen 2.857 N/A ASP 34.A N ASP 30.A O no hydrogen 2.920 N/A VAL 35.A N PHE 31.A O no hydrogen 2.930 N/A CYS 36.A N THR 32.A O no hydrogen 2.848 N/A GLY 37.A N LEU 33.A O no hydrogen 2.830 N/A GLU 38.A N ASP 34.A O no hydrogen 3.241 N/A TYR 39.A N VAL 35.A O no hydrogen 3.136 N/A TYR 39.A OH GLY 22.A O no hydrogen 2.852 N/A VAL 40.A N CYS 36.A O no hydrogen 2.843 N/A ALA 41.A N GLY 37.A O no hydrogen 3.080 N/A VAL 42.A N GLU 38.A O no hydrogen 3.025 N/A THR 43.A N TYR 39.A O no hydrogen 2.891 N/A THR 43.A OG1 TYR 39.A O no hydrogen 2.780 N/A THR 43.A OG1 VAL 40.A O no hydrogen 3.372 N/A ARG 44.A N VAL 40.A O no hydrogen 3.044 N/A LYS 45.A N ALA 41.A O no hydrogen 2.982 N/A LYS 45.A NZ GLU 259.A OE1 no hydrogen 2.573 N/A LEU 46.A N VAL 42.A O no hydrogen 2.955 N/A GLY 47.A N THR 43.A O no hydrogen 2.683 N/A ILE 48.A N THR 43.A O no hydrogen 2.920 N/A VAL 51.A N LEU 19.A O no hydrogen 2.835 N/A PHE 52.A N PRO 89.A O no hydrogen 2.921 N/A LYS 53.A N GLY 21.A O no hydrogen 3.009 N/A LYS 53.A NZ ILE 23.A O no hydrogen 3.380 N/A LYS 53.A NZ ASN 24.A O no hydrogen 3.068 N/A LYS 53.A NZ SER 55.A OG no hydrogen 3.273 N/A LYS 53.A NZ GLU 237.A OE2 no hydrogen 2.795 N/A ALA 54.A N ILE 91.A O no hydrogen 3.416 N/A SER 55.A N ASN 24.A O no hydrogen 3.078 N/A SER 55.A OG ASN 24.A O no hydrogen 3.195 N/A SER 55.A OG ASP 93.A OD1 no hydrogen 2.849 N/A LYS 58.A N ARG 68.A O no hydrogen 2.821 N/A LYS 58.A NZ ASN 24.A O no hydrogen 3.271 N/A LYS 58.A NZ ASN 24.A OD1 no hydrogen 3.026 N/A LYS 58.A NZ SER 55.A OG no hydrogen 2.754 N/A ARG 61.A NH1 TYR 67.A O no hydrogen 3.125 N/A ARG 61.A NH1 ARG 246.A O no hydrogen 2.946 N/A HIS 65.A N SER 63.A OG no hydrogen 2.954 N/A SER 66.A N SER 63.A O no hydrogen 3.152 N/A ARG 68.A NE ASP 57.A OD1 no hydrogen 2.967 N/A ARG 68.A NH2 ASP 57.A OD1 no hydrogen 3.361 N/A ARG 68.A NH2 ASP 57.A OD2 no hydrogen 2.880 N/A VAL 70.A N LEU 26.A O no hydrogen 3.044 N/A GLY 71.A N PHE 56.A O no hydrogen 2.775 N/A GLY 75.A N GLY 71.A O no hydrogen 2.857 N/A LEU 76.A N LEU 72.A O no hydrogen 2.909 N/A LYS 77.A N ASP 73.A O no hydrogen 3.395 N/A LYS 77.A NZ GLU 74.A OE2 no hydrogen 2.754 N/A ILE 78.A N GLU 74.A O no hydrogen 3.053 N/A PHE 79.A N GLY 75.A O no hydrogen 2.982 N/A ALA 80.A N LEU 76.A O no hydrogen 3.023 N/A GLU 81.A N LYS 77.A O no hydrogen 3.036 N/A VAL 82.A N ILE 78.A O no hydrogen 2.791 N/A LYS 83.A N PHE 79.A O no hydrogen 2.993 N/A LYS 83.A NZ ASP 108.A OD1 no hydrogen 3.122 N/A LYS 83.A NZ ASP 108.A OD2 no hydrogen 2.790 N/A ALA 84.A N ALA 80.A O no hydrogen 3.085 N/A ARG 85.A N GLU 81.A O no hydrogen 2.996 N/A PHE 86.A N VAL 82.A O no hydrogen 3.067 N/A GLY 87.A N LYS 83.A O no hydrogen 2.734 N/A VAL 90.A N ASP 108.A OD2 no hydrogen 2.741 N/A ILE 91.A N PHE 52.A O no hydrogen 2.911 N/A THR 92.A N VAL 109.A O no hydrogen 3.358 N/A THR 92.A OG1 ALA 54.A O no hydrogen 2.672 N/A VAL 94.A N GLN 111.A O no hydrogen 3.038 N/A HIS 95.A N GLN 99.A OE1 no hydrogen 2.894 N/A GLU 96.A N GLN 99.A OE1 no hydrogen 3.084 N/A GLN 99.A N GLU 96.A O no hydrogen 2.969 N/A ALA 100.A N ALA 97.A O no hydrogen 3.103 N/A VAL 103.A N GLN 99.A O no hydrogen 3.027 N/A ALA 104.A N ALA 100.A O no hydrogen 2.915 N/A GLU 105.A N ALA 101.A O no hydrogen 3.338 N/A GLU 105.A N PRO 102.A O no hydrogen 3.325 N/A ILE 106.A N VAL 103.A O no hydrogen 2.952 N/A ALA 107.A N VAL 103.A O no hydrogen 2.818 N/A ASP 108.A N VAL 90.A O no hydrogen 2.843 N/A VAL 109.A N VAL 90.A O no hydrogen 3.103 N/A LEU 110.A N PRO 132.A O no hydrogen 2.982 N/A GLN 111.A N THR 92.A O no hydrogen 2.864 N/A VAL 112.A N ASN 134.A O no hydrogen 2.834 N/A LEU 116.A N PRO 113.A O no hydrogen 2.993 N/A GLN 119.A N LEU 116.A O no hydrogen 2.971 N/A VAL 123.A N GLN 119.A O no hydrogen 2.961 N/A VAL 124.A N THR 120.A O no hydrogen 2.847 N/A ALA 125.A N ASP 121.A O no hydrogen 3.035 N/A ILE 126.A N LEU 122.A O no hydrogen 2.915 N/A ALA 127.A N VAL 123.A O no hydrogen 2.875 N/A LYS 128.A N VAL 124.A O no hydrogen 2.915 N/A ALA 129.A N ALA 125.A O no hydrogen 3.330 N/A ALA 129.A N ILE 126.A O no hydrogen 3.316 N/A GLY 130.A N ALA 127.A O no hydrogen 3.477 N/A LYS 131.A NZ ALA 104.A O no hydrogen 2.885 N/A LYS 131.A NZ ALA 107.A O no hydrogen 2.955 N/A VAL 133.A N ARG 160.A O no hydrogen 2.938 N/A ASN 134.A N LEU 110.A O no hydrogen 2.876 N/A ASN 134.A ND2 GLN 111.A OE1 no hydrogen 2.814 N/A VAL 135.A N MET 162.A O no hydrogen 2.983 N/A LYS 136.A N VAL 112.A O no hydrogen 3.110 N/A LYS 136.A NZ ASP 197.A OD2 no hydrogen 3.065 N/A LYS 137.A N CYS 164.A O no hydrogen 2.885 N/A LYS 137.A NZ GLU 165.A OE1 no hydrogen 2.855 N/A LYS 137.A NZ GLU 165.A OE2 no hydrogen 3.420 N/A GLN 139.A N GLN 139.A OE1 no hydrogen 2.721 N/A MET 141.A N PRO 138.A O no hydrogen 3.123 N/A GLN 145.A N SER 142.A O no hydrogen 3.034 N/A HIS 148.A N GLN 145.A O no hydrogen 3.190 N/A VAL 150.A N LEU 146.A O no hydrogen 3.168 N/A SER 151.A N LYS 147.A O no hydrogen 2.937 N/A SER 151.A OG LYS 147.A O no hydrogen 3.102 N/A LYS 152.A N HIS 148.A O no hydrogen 3.196 N/A LYS 152.A NZ THR 120.A OG1 no hydrogen 2.770 N/A CYS 153.A N VAL 149.A O no hydrogen 3.230 N/A CYS 153.A SG VAL 149.A O no hydrogen 3.678 N/A GLY 154.A N VAL 150.A O no hydrogen 2.863 N/A GLU 155.A N SER 151.A O no hydrogen 2.791 N/A VAL 156.A N CYS 153.A O no hydrogen 3.227 N/A GLY 157.A N GLY 154.A O no hydrogen 2.882 N/A ASN 158.A N CYS 153.A O no hydrogen 3.155 N/A ASN 158.A ND2 ALA 127.A O no hydrogen 2.750 N/A ASN 158.A ND2 LYS 131.A O no hydrogen 3.081 N/A ARG 160.A N ASN 158.A OD1 no hydrogen 3.033 N/A ARG 160.A NH1 ALA 4.A O no hydrogen 3.344 N/A MET 162.A N VAL 133.A O no hydrogen 2.786 N/A LEU 163.A N PRO 193.A O no hydrogen 2.888 N/A CYS 164.A N VAL 135.A O no hydrogen 2.860 N/A CYS 164.A SG GLU 165.A O no hydrogen 4.022 N/A CYS 164.A SG ILE 195.A O no hydrogen 3.977 N/A GLU 165.A N ILE 195.A O no hydrogen 2.842 N/A ARG 166.A NH1 ARG 166.A O no hydrogen 2.897 N/A ARG 166.A NH1 GLN 203.A OE1 no hydrogen 3.000 N/A ARG 166.A NH2 GLN 203.A OE1 no hydrogen 2.969 N/A GLY 167.A N GLU 165.A OE2 no hydrogen 2.822 N/A SER 168.A N VAL 176.A O no hydrogen 2.779 N/A SER 169.A N GLN 139.A O no hydrogen 3.083 N/A SER 169.A OG GLN 139.A O no hydrogen 3.561 N/A PHE 170.A N ASN 174.A O no hydrogen 3.048 N/A VAL 176.A N SER 168.A O no hydrogen 2.898 N/A LEU 180.A N ASP 178.A OD1 no hydrogen 3.069 N/A GLY 181.A N ASP 178.A O no hydrogen 2.979 N/A ARG 183.A NH1 GLU 187.A OE2 no hydrogen 3.023 N/A GLN 184.A NE2 LEU 180.A O no hydrogen 2.895 N/A MET 185.A N GLY 181.A O no hydrogen 2.865 N/A ALA 186.A N PHE 182.A O no hydrogen 2.893 N/A GLU 187.A N ARG 183.A O no hydrogen 2.718 N/A THR 188.A N GLN 184.A O no hydrogen 3.269 N/A THR 188.A OG1 GLN 184.A O no hydrogen 2.735 N/A THR 189.A N ALA 186.A O no hydrogen 3.392 N/A THR 189.A OG1 MET 185.A O no hydrogen 2.731 N/A THR 189.A OG1 ALA 186.A O no hydrogen 3.420 N/A GLY 191.A N ALA 186.A O no hydrogen 2.851 N/A CYS 192.A N THR 189.A OG1 no hydrogen 3.411 N/A CYS 192.A SG VAL 161.A O no hydrogen 3.599 N/A CYS 192.A SG THR 189.A O no hydrogen 3.466 N/A CYS 192.A SG THR 189.A OG1 no hydrogen 3.514 N/A VAL 194.A N ASN 13.A OD1 no hydrogen 2.786 N/A ILE 195.A N LEU 163.A O no hydrogen 2.739 N/A PHE 196.A N GLY 233.A O no hydrogen 3.009 N/A ASP 197.A N GLU 165.A O no hydrogen 2.817 N/A VAL 198.A N PHE 235.A O no hydrogen 3.062 N/A HIS 200.A N ASP 197.A OD1 no hydrogen 2.872 N/A HIS 200.A ND1 ASP 197.A OD2 no hydrogen 2.654 N/A SER 201.A OG ASP 197.A O no hydrogen 2.760 N/A LEU 202.A N THR 199.A O no hydrogen 3.255 N/A GLN 203.A N HIS 200.A O no hydrogen 3.044 N/A GLN 203.A NE2 ASP 248.A OD1 no hydrogen 2.983 N/A ARG 205.A N ASP 173.A O no hydrogen 2.953 N/A LEU 208.A N ASP 206.A OD1 no hydrogen 2.959 N/A GLY 209.A N ASP 206.A O no hydrogen 2.915 N/A SER 212.A OG GLY 213.A O no hydrogen 2.724 N/A ARG 215.A NE LEU 202.A O no hydrogen 2.972 N/A ARG 215.A NH2 LEU 175.A O no hydrogen 3.259 N/A ARG 215.A NH2 GLN 203.A O no hydrogen 2.994 N/A ARG 216.A N PRO 250.A O no hydrogen 3.044 N/A ARG 216.A NH1 ASP 243.A OD1 no hydrogen 3.513 N/A ARG 216.A NH1 GLY 249.A O no hydrogen 2.980 N/A ARG 216.A NH2 ASP 243.A OD1 no hydrogen 2.969 N/A ARG 216.A NH2 ASP 243.A OD2 no hydrogen 3.554 N/A GLN 218.A N ARG 215.A O no hydrogen 2.987 N/A GLN 218.A NE2 ASP 221.A OD2 no hydrogen 3.108 N/A VAL 219.A N ARG 216.A O no hydrogen 3.042 N/A LEU 222.A N GLN 218.A O no hydrogen 3.253 N/A ALA 223.A N VAL 219.A O no hydrogen 2.905 N/A ARG 224.A N LEU 220.A O no hydrogen 2.977 N/A ARG 224.A NE GLN 264.A OE1 no hydrogen 2.917 N/A ARG 224.A NH2 GLN 264.A OE1 no hydrogen 2.862 N/A ALA 225.A N ASP 221.A O no hydrogen 3.275 N/A GLY 226.A N LEU 222.A O no hydrogen 3.062 N/A ILE 227.A N ALA 223.A O no hydrogen 2.986 N/A ALA 228.A N ARG 224.A O no hydrogen 3.113 N/A VAL 229.A N GLY 226.A O no hydrogen 3.172 N/A GLY 230.A N ILE 227.A O no hydrogen 3.219 N/A ALA 232.A N VAL 194.A O no hydrogen 2.850 N/A GLY 233.A N VAL 194.A O no hydrogen 3.291 N/A LEU 234.A N VAL 18.A O no hydrogen 3.030 N/A PHE 235.A N PHE 196.A O no hydrogen 2.875 N/A LEU 236.A N PHE 20.A O no hydrogen 2.992 N/A GLU 237.A N THR 199.A OG1 no hydrogen 2.868 N/A ALA 238.A N GLY 22.A O no hydrogen 2.837 N/A HIS 239.A N LEU 253.A O no hydrogen 3.032 N/A ARG 244.A N ASP 241.A O no hydrogen 2.808 N/A ALA 245.A N PRO 242.A O no hydrogen 3.009 N/A SER 251.A N ASP 248.A O no hydrogen 3.188 N/A ALA 252.A N GLY 249.A O no hydrogen 3.176 N/A LEU 253.A N GLU 237.A O no hydrogen 2.994 N/A LEU 255.A N HIS 239.A O no hydrogen 2.905 N/A GLN 257.A N PRO 254.A O no hydrogen 2.871 N/A LEU 258.A N LEU 255.A O no hydrogen 3.099 N/A LEU 261.A N GLN 257.A O no hydrogen 2.999 N/A LEU 262.A N LEU 258.A O no hydrogen 2.920 N/A SER 263.A N GLU 259.A O no hydrogen 2.896 N/A SER 263.A OG GLU 259.A O no hydrogen 3.453 N/A SER 263.A OG GLY 260.A O no hydrogen 3.137 N/A MET 265.A N LEU 261.A O no hydrogen 3.100 N/A LYS 266.A N LEU 262.A O no hydrogen 2.964 N/A LYS 266.A NZ ASP 270.A OD2 no hydrogen 2.722 N/A ALA 267.A N SER 263.A O no hydrogen 3.125 N/A ILE 268.A N GLN 264.A O no hydrogen 3.030 N/A ASP 269.A N MET 265.A O no hydrogen 2.823 N/A ASP 270.A N LYS 266.A O no hydrogen 2.847 N/A LEU 271.A N ALA 267.A O no hydrogen 3.153 N/A VAL 272.A N ILE 268.A O no hydrogen 2.902 N/A LYS 273.A N ASP 269.A O no hydrogen 2.966 N/A LYS 273.A NZ LEU 15.A O no hydrogen 2.580 N/A LYS 273.A NZ ILE 231.A O no hydrogen 2.667 N/A LYS 273.A NZ ASP 269.A OD1 no hydrogen 2.749 N/A ARG 274.A N LEU 271.A O no hydrogen 3.117 N/A MET 275.A N VAL 272.A O no hydrogen 3.145 N/A