Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5mrb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N TYR 12.A O no hydrogen 2.850 N/A VAL 7.A N ARG 10.A O no hydrogen 2.984 N/A LYS 8.A N GLU 79.A OE1 no hydrogen 2.754 N/A ARG 10.A N VAL 7.A O no hydrogen 3.148 N/A ARG 10.A NE GLU 32.A OE1 no hydrogen 3.087 N/A ARG 10.A NH2 GLU 32.A OE1 no hydrogen 3.201 N/A ILE 11.A N GLU 32.A OE2 no hydrogen 3.130 N/A TYR 12.A N MET 5.A O no hydrogen 2.727 N/A SER 13.A N LEU 30.A O no hydrogen 2.716 N/A ILE 14.A N GLN 3.A O no hydrogen 2.913 N/A LEU 15.A N GLN 28.A O no hydrogen 2.883 N/A LYS 16.A N GLN 28.A O no hydrogen 3.479 N/A GLN 17.A NE2 GLY 19.A O no hydrogen 3.652 N/A ILE 18.A N VAL 26.A O no hydrogen 2.742 N/A GLY 19.A N VAL 26.A O no hydrogen 3.308 N/A GLY 21.A N SER 24.A O no hydrogen 3.145 N/A SER 23.A OG ASN 43.A O no hydrogen 2.935 N/A SER 24.A N GLY 21.A O no hydrogen 3.098 N/A SER 24.A OG GLY 21.A O no hydrogen 2.599 N/A LYS 25.A N TYR 41.A O no hydrogen 2.895 N/A VAL 26.A N GLY 19.A O no hydrogen 2.839 N/A PHE 27.A N ILE 39.A O no hydrogen 2.776 N/A GLN 28.A N LYS 16.A O no hydrogen 2.771 N/A VAL 29.A N TYR 37.A O no hydrogen 2.962 N/A LEU 30.A N SER 13.A O no hydrogen 2.897 N/A ASN 31.A N GLN 35.A O no hydrogen 3.013 N/A ASN 31.A ND2 GLN 35.A OE1 no hydrogen 2.976 N/A GLU 32.A N GLU 32.A OE1 no hydrogen 2.890 N/A LYS 33.A N ASN 31.A OD1 no hydrogen 2.977 N/A LYS 34.A N ASN 31.A O no hydrogen 3.026 N/A GLN 35.A N ASN 31.A OD1 no hydrogen 2.927 N/A TYR 37.A N VAL 29.A O no hydrogen 2.981 N/A ALA 38.A N MET 89.A O no hydrogen 3.040 N/A ILE 39.A N PHE 27.A O no hydrogen 2.786 N/A LYS 40.A N MET 87.A O no hydrogen 2.878 N/A TYR 41.A N LYS 25.A O no hydrogen 2.756 N/A VAL 42.A N ILE 85.A O no hydrogen 2.849 N/A ASN 43.A N SER 23.A O no hydrogen 2.827 N/A ASN 43.A ND2 GLN 83.A O no hydrogen 3.436 N/A LEU 44.A N GLN 83.A O no hydrogen 2.734 N/A ALA 47.A N LEU 44.A O no hydrogen 2.939 N/A THR 51.A N ASP 48.A OD1 no hydrogen 2.989 N/A THR 51.A OG1 ASP 48.A OD1 no hydrogen 2.609 N/A LEU 52.A N ASP 48.A O no hydrogen 2.907 N/A ASP 53.A N ASN 49.A O no hydrogen 2.920 N/A SER 54.A N GLN 50.A O no hydrogen 3.013 N/A SER 54.A OG THR 51.A O no hydrogen 2.786 N/A TYR 55.A N THR 51.A O no hydrogen 3.123 N/A ARG 56.A N LEU 52.A O no hydrogen 2.994 N/A ASN 57.A N ASP 53.A O no hydrogen 2.876 N/A GLU 58.A N SER 54.A O no hydrogen 3.061 N/A ILE 59.A N TYR 55.A O no hydrogen 2.935 N/A ALA 60.A N ARG 56.A O no hydrogen 3.006 N/A TYR 61.A N ASN 57.A O no hydrogen 3.063 N/A LEU 62.A N GLU 58.A O no hydrogen 2.830 N/A ASN 63.A N ILE 59.A O no hydrogen 2.977 N/A LYS 64.A N ALA 60.A O no hydrogen 3.063 N/A LEU 65.A N TYR 61.A O no hydrogen 2.748 N/A GLN 66.A N LEU 62.A O no hydrogen 3.198 N/A GLN 66.A NE2 ASN 63.A O no hydrogen 3.520 N/A GLN 66.A NE2 ASN 63.A OD1 no hydrogen 3.253 N/A GLN 66.A NE2 LEU 75.A O no hydrogen 2.870 N/A GLN 67.A N LYS 64.A O no hydrogen 3.289 N/A GLN 67.A NE2 ASN 63.A O no hydrogen 3.271 N/A GLN 67.A NE2 LYS 64.A O no hydrogen 3.505 N/A HIS 68.A N LEU 65.A O no hydrogen 2.918 N/A SER 69.A OG GLU 120.A OE2 no hydrogen 3.320 N/A LYS 71.A N SER 69.A OG no hydrogen 2.862 N/A LYS 71.A NZ ASP 70.A OD1 no hydrogen 2.766 N/A LYS 71.A NZ GLU 120.A OE1 no hydrogen 3.005 N/A LYS 71.A NZ GLU 120.A OE2 no hydrogen 3.522 N/A ILE 72.A N SER 69.A O no hydrogen 3.411 N/A ILE 73.A N LEU 149.A O no hydrogen 3.010 N/A ARG 74.A N GLU 90.A OE1 no hydrogen 3.204 N/A ARG 74.A NH1 GLN 66.A O no hydrogen 2.785 N/A ARG 74.A NH2 GLN 66.A O no hydrogen 2.778 N/A ARG 74.A NH2 SER 69.A O no hydrogen 2.792 N/A ARG 74.A NH2 ILE 72.A O no hydrogen 2.881 N/A LEU 75.A N GLN 66.A OE1 no hydrogen 2.786 N/A TYR 76.A N VAL 88.A O no hydrogen 2.830 N/A TYR 78.A N ASP 77.A OD1 no hydrogen 2.893 N/A GLU 79.A N TYR 86.A O no hydrogen 2.912 N/A THR 81.A N TYR 84.A O no hydrogen 3.082 N/A THR 81.A OG1 TYR 84.A O no hydrogen 3.362 N/A TYR 84.A N THR 81.A OG1 no hydrogen 3.353 N/A TYR 84.A OH GLU 79.A OE2 no hydrogen 2.639 N/A ILE 85.A N VAL 42.A O no hydrogen 2.901 N/A TYR 86.A N GLU 79.A O no hydrogen 2.966 N/A MET 87.A N LYS 40.A O no hydrogen 2.817 N/A VAL 88.A N ASP 77.A O no hydrogen 2.874 N/A MET 89.A N ALA 38.A O no hydrogen 2.759 N/A GLU 90.A N ARG 74.A O no hydrogen 3.044 N/A ASN 93.A N ILE 142.A O no hydrogen 3.044 N/A LEU 96.A N PHE 140.A O no hydrogen 2.859 N/A SER 98.A N ASP 95.A OD2 no hydrogen 2.855 N/A SER 98.A OG ASP 95.A OD1 no hydrogen 2.533 N/A SER 98.A OG ASP 95.A OD2 no hydrogen 3.240 N/A TRP 99.A N ASP 95.A O no hydrogen 3.046 N/A TRP 99.A NE1 GLU 110.A OE2 no hydrogen 2.956 N/A LEU 100.A N LEU 96.A O no hydrogen 2.873 N/A LYS 101.A N ASN 97.A O no hydrogen 3.083 N/A LYS 101.A NZ GLN 165.A OE1 no hydrogen 3.540 N/A LYS 102.A N SER 98.A O no hydrogen 3.197 N/A LYS 103.A N TRP 99.A O no hydrogen 3.119 N/A LYS 103.A NZ GLU 110.A OE1 no hydrogen 3.450 N/A TRP 109.A N ASP 107.A OD1 no hydrogen 3.358 N/A GLU 110.A N ASP 107.A OD2 no hydrogen 3.414 N/A ARG 111.A N ASP 107.A O no hydrogen 2.842 N/A ARG 111.A NH1 MET 196.A O no hydrogen 2.940 N/A ARG 111.A NH2 GLU 230.A OE2 no hydrogen 2.774 N/A LYS 112.A N PRO 108.A O no hydrogen 3.003 N/A LYS 112.A NZ TYR 259.A O no hydrogen 3.316 N/A SER 113.A N TRP 109.A O no hydrogen 2.834 N/A TYR 114.A N GLU 110.A O no hydrogen 2.954 N/A TYR 114.A OH GLU 110.A OE2 no hydrogen 2.728 N/A TRP 115.A N ARG 111.A O no hydrogen 2.992 N/A LYS 116.A N LYS 112.A O no hydrogen 3.082 N/A ASN 117.A N SER 113.A O no hydrogen 3.076 N/A MET 118.A N TYR 114.A O no hydrogen 2.944 N/A LEU 119.A N TRP 115.A O no hydrogen 2.976 N/A GLU 120.A N LYS 116.A O no hydrogen 3.077 N/A ALA 121.A N ASN 117.A O no hydrogen 3.081 N/A VAL 122.A N MET 118.A O no hydrogen 2.987 N/A HIS 123.A N LEU 119.A O no hydrogen 2.806 N/A THR 124.A N GLU 120.A O no hydrogen 2.970 N/A THR 124.A OG1 GLU 120.A O no hydrogen 2.808 N/A ILE 125.A N ALA 121.A O no hydrogen 3.265 N/A HIS 126.A N VAL 122.A O no hydrogen 3.035 N/A HIS 126.A NE2 ASP 185.A OD2 no hydrogen 2.813 N/A GLN 127.A N HIS 123.A O no hydrogen 3.116 N/A HIS 128.A N ILE 125.A O no hydrogen 3.044 N/A HIS 128.A ND1 THR 124.A O no hydrogen 3.183 N/A GLY 129.A N HIS 126.A O no hydrogen 2.973 N/A ILE 130.A N ILE 125.A O no hydrogen 2.993 N/A HIS 132.A N ASP 185.A OD2 no hydrogen 2.825 N/A HIS 132.A NE2 ASP 151.A OD1 no hydrogen 2.975 N/A SER 133.A N ASP 185.A OD1 no hydrogen 2.702 N/A SER 133.A OG HIS 132.A O no hydrogen 2.591 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 3.249 N/A LYS 136.A N ASN 139.A OD1 no hydrogen 2.921 N/A LYS 136.A NZ ASP 134.A O no hydrogen 2.971 N/A LYS 136.A NZ ASP 134.A OD2 no hydrogen 3.277 N/A LYS 136.A NZ ASN 139.A OD1 no hydrogen 3.233 N/A ASN 139.A N LYS 136.A O no hydrogen 3.095 N/A ASN 139.A ND2 ASP 151.A OD1 no hydrogen 2.671 N/A PHE 140.A N PRO 137.A O no hydrogen 3.123 N/A LEU 141.A N LYS 148.A O no hydrogen 2.832 N/A ILE 142.A N ILE 94.A O no hydrogen 2.845 N/A VAL 143.A N MET 146.A O no hydrogen 2.740 N/A ASP 144.A N ASN 93.A OD1 no hydrogen 3.036 N/A MET 146.A N VAL 143.A O no hydrogen 2.857 N/A LEU 147.A N ASN 117.A OD1 no hydrogen 2.843 N/A LYS 148.A N LEU 141.A O no hydrogen 2.826 N/A LYS 148.A NZ ASP 70.A O no hydrogen 2.708 N/A LEU 149.A N LYS 71.A O no hydrogen 2.866 N/A ILE 150.A N ASN 139.A O no hydrogen 2.855 N/A PHE 152.A N GLU 58.A OE2 no hydrogen 2.816 N/A ILE 154.A N GLU 58.A OE1 no hydrogen 2.940 N/A ALA 155.A N GLU 58.A OE1 no hydrogen 2.872 N/A ASN 156.A N SER 54.A OG no hydrogen 3.026 N/A THR 162.A N PRO 160.A O no hydrogen 2.616 N/A ASN 170.A N THR 168.A OG1 no hydrogen 3.389 N/A MET 172.A N VAL 169.A O no hydrogen 3.127 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.933 N/A ALA 176.A N PRO 173.A O no hydrogen 3.061 N/A ILE 177.A N PRO 174.A O no hydrogen 2.996 N/A LYS 178.A N PRO 174.A O no hydrogen 3.298 N/A LYS 183.A N SER 181.A OG no hydrogen 3.026 N/A LYS 183.A NZ PRO 245.A O no hydrogen 2.981 N/A LYS 183.A NZ ARG 248.A O no hydrogen 2.708 N/A SER 184.A N SER 181.A O no hydrogen 2.904 N/A SER 184.A OG GLU 175.A OE2 no hydrogen 2.687 N/A SER 184.A OG SER 181.A O no hydrogen 3.296 N/A TRP 187.A N LYS 183.A O no hydrogen 3.333 N/A SER 188.A N SER 184.A O no hydrogen 3.384 N/A SER 188.A OG TYR 171.A O no hydrogen 2.659 N/A SER 188.A OG SER 184.A O no hydrogen 3.499 N/A LEU 189.A N ASP 185.A O no hydrogen 2.921 N/A GLY 190.A N VAL 186.A O no hydrogen 2.858 N/A CYS 191.A N TRP 187.A O no hydrogen 2.857 N/A CYS 191.A SG ASN 170.A O no hydrogen 3.722 N/A CYS 191.A SG TRP 187.A O no hydrogen 3.417 N/A ILE 192.A N SER 188.A O no hydrogen 3.091 N/A LEU 193.A N LEU 189.A O no hydrogen 2.987 N/A TYR 194.A N GLY 190.A O no hydrogen 2.847 N/A TYR 194.A OH GLU 224.A O no hydrogen 2.547 N/A TYR 195.A N CYS 191.A O no hydrogen 3.030 N/A MET 196.A N ILE 192.A O no hydrogen 2.986 N/A THR 197.A N LEU 193.A O no hydrogen 2.856 N/A THR 197.A N TYR 194.A O no hydrogen 3.159 N/A THR 197.A OG1 LEU 193.A O no hydrogen 2.709 N/A TYR 198.A N TYR 194.A O no hydrogen 2.853 N/A TYR 198.A OH PRO 226.A O no hydrogen 2.602 N/A GLY 199.A N TYR 195.A O no hydrogen 2.760 N/A THR 201.A N GLN 204.A OE1 no hydrogen 2.714 N/A THR 201.A OG1 GLN 204.A OE1 no hydrogen 3.274 N/A GLN 204.A N THR 201.A O no hydrogen 3.221 N/A GLN 205.A N GLN 205.A OE1 no hydrogen 2.704 N/A GLN 205.A NE2 PRO 202.A O no hydrogen 3.699 N/A ILE 206.A N PHE 203.A O no hydrogen 3.168 N/A ILE 210.A N ASN 208.A OD1 no hydrogen 2.898 N/A SER 211.A N ASN 208.A OD1 no hydrogen 3.272 N/A LYS 212.A N ASN 208.A O no hydrogen 3.035 N/A LYS 212.A NZ ASN 170.A OD1 no hydrogen 2.869 N/A LYS 212.A NZ ILE 206.A O no hydrogen 3.248 N/A LYS 212.A NZ GLN 209.A OE1 no hydrogen 3.524 N/A LEU 213.A N GLN 209.A O no hydrogen 2.961 N/A HIS 214.A N ILE 210.A O no hydrogen 2.972 N/A HIS 214.A ND1 ILE 210.A O no hydrogen 3.143 N/A ALA 215.A N SER 211.A O no hydrogen 2.767 N/A ILE 216.A N LYS 212.A O no hydrogen 2.844 N/A ILE 217.A N LEU 213.A O no hydrogen 3.369 N/A ASP 218.A N HIS 214.A O no hydrogen 2.933 N/A ASN 220.A N ASP 218.A OD1 no hydrogen 2.898 N/A HIS 221.A N ASP 218.A O no hydrogen 3.015 N/A LYS 231.A NZ ILE 228.A O no hydrogen 3.348 N/A GLN 234.A N GLU 230.A O no hydrogen 3.177 N/A GLN 234.A NE2 PHE 225.A O no hydrogen 3.065 N/A GLN 234.A NE2 ASP 227.A OD1 no hydrogen 2.925 N/A ASP 235.A N LYS 231.A O no hydrogen 3.029 N/A VAL 236.A N ASP 232.A O no hydrogen 2.977 N/A LEU 237.A N LEU 233.A O no hydrogen 3.059 N/A LYS 238.A N GLN 234.A O no hydrogen 3.088 N/A CYS 239.A N ASP 235.A O no hydrogen 3.039 N/A CYS 239.A SG ASP 235.A O no hydrogen 3.467 N/A CYS 239.A SG ASP 235.A OD2 no hydrogen 3.911 N/A CYS 240.A N VAL 236.A O no hydrogen 2.993 N/A CYS 240.A SG VAL 236.A O no hydrogen 3.326 N/A LEU 241.A N LEU 237.A O no hydrogen 3.120 N/A ARG 243.A NE ILE 216.A O no hydrogen 2.679 N/A ARG 243.A NH1 HIS 221.A O no hydrogen 2.877 N/A ARG 243.A NH2 ALA 215.A O no hydrogen 3.045 N/A ARG 243.A NH2 HIS 221.A O no hydrogen 2.702 N/A LYS 246.A N ASP 244.A OD1 no hydrogen 2.981 N/A GLN 247.A N ASP 244.A O no hydrogen 2.895 N/A ARG 248.A N PRO 245.A O no hydrogen 3.178 N/A ARG 248.A NE LYS 242.A O no hydrogen 2.859 N/A ARG 248.A NH1 GLU 175.A OE1 no hydrogen 3.351 N/A ARG 248.A NH1 GLU 175.A OE2 no hydrogen 3.031 N/A ARG 248.A NH1 LYS 183.A O no hydrogen 2.853 N/A ARG 248.A NH2 GLU 175.A OE1 no hydrogen 3.208 N/A ARG 248.A NH2 LYS 242.A O no hydrogen 2.893 N/A ILE 249.A N CYS 239.A O no hydrogen 3.237 N/A SER 250.A N GLU 253.A OE1 no hydrogen 3.076 N/A GLU 253.A N SER 250.A OG no hydrogen 3.263 N/A LEU 254.A N SER 250.A O no hydrogen 2.888 N/A LEU 255.A N ILE 251.A O no hydrogen 2.897 N/A ALA 256.A N GLU 253.A O no hydrogen 3.083 N/A HIS 257.A N LEU 254.A O no hydrogen 3.200 N/A HIS 257.A NE2 ASP 235.A OD2 no hydrogen 2.713 N/A TYR 259.A N HIS 257.A ND1 no hydrogen 3.192 N/A VAL 260.A N HIS 257.A O no hydrogen 3.006 N/A GLN 261.A N HIS 257.A O no hydrogen 3.059 N/A GLN 261.A N PRO 258.A O no hydrogen 3.218 N/A GLN 261.A NE2 LEU 255.A O no hydrogen 2.774 N/A ILE 262.A N PRO 258.A O no hydrogen 2.864 N/A