Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mjo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N TYR 4.A OH no hydrogen 3.458 N/A ALA 9.A N ASP 5.A O no hydrogen 3.325 N/A ASN 10.A N GLU 6.A O no hydrogen 2.883 N/A HIS 11.A N ILE 8.A O no hydrogen 3.013 N/A HIS 11.A ND1 TYR 7.A O no hydrogen 2.804 N/A ASN 21.A N ASN 19.A OD1 no hydrogen 2.829 N/A LYS 27.A N ASP 25.A OD1 no hydrogen 2.917 N/A ASP 28.A N ASP 25.A O no hydrogen 2.901 N/A GLU 30.A N GLU 26.A O no hydrogen 2.976 N/A VAL 31.A N LYS 27.A O no hydrogen 2.902 N/A TRP 32.A N ASP 28.A O no hydrogen 2.918 N/A ASP 33.A N LEU 29.A O no hydrogen 2.844 N/A ARG 34.A N GLU 30.A O no hydrogen 2.962 N/A LEU 35.A N VAL 31.A O no hydrogen 2.853 N/A THR 36.A N TRP 32.A O no hydrogen 2.952 N/A THR 36.A OG1 TRP 32.A O no hydrogen 2.729 N/A THR 36.A OG1 ASP 33.A O no hydrogen 3.548 N/A GLY 37.A N ASP 33.A O no hydrogen 2.919 N/A ASN 38.A N ARG 34.A O no hydrogen 2.994 N/A ASN 38.A N LEU 35.A O no hydrogen 3.210 N/A PHE 39.A N THR 36.A O no hydrogen 3.246 N/A TRP 40.A NE1 ASP 200.A OD2 no hydrogen 2.942 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.848 N/A LYS 44.A N LEU 41.A O no hydrogen 3.033 N/A ILE 45.A N PRO 42.A O no hydrogen 3.084 N/A VAL 47.A N ILE 45.A O no hydrogen 2.876 N/A ASN 49.A N PRO 46.A O no hydrogen 2.950 N/A ASP 50.A N VAL 47.A O no hydrogen 2.833 N/A ILE 51.A N SER 48.A O no hydrogen 3.147 N/A TRP 54.A N ASP 50.A O no hydrogen 2.850 N/A ASN 55.A N ILE 51.A O no hydrogen 2.991 N/A LYS 56.A N GLN 52.A O no hydrogen 3.040 N/A LYS 56.A N SER 53.A O no hydrogen 3.113 N/A MET 57.A N TRP 54.A O no hydrogen 2.861 N/A THR 58.A N GLU 61.A OE1 no hydrogen 2.837 N/A THR 58.A OG1 GLN 60.A OE1 no hydrogen 3.567 N/A GLN 60.A N GLN 60.A OE1 no hydrogen 2.768 N/A GLU 61.A N THR 58.A OG1 no hydrogen 2.950 N/A GLN 62.A N THR 58.A O no hydrogen 2.921 N/A GLN 62.A NE2 TRP 54.A O no hydrogen 2.946 N/A LEU 63.A N PRO 59.A O no hydrogen 2.951 N/A ALA 64.A N GLN 60.A O no hydrogen 3.137 N/A THR 65.A N GLU 61.A O no hydrogen 3.072 N/A THR 65.A OG1 GLU 61.A O no hydrogen 2.879 N/A MET 66.A N GLN 62.A O no hydrogen 2.932 N/A ARG 67.A N LEU 63.A O no hydrogen 2.908 N/A VAL 68.A N ALA 64.A O no hydrogen 2.844 N/A PHE 69.A N THR 65.A O no hydrogen 2.972 N/A THR 70.A N MET 66.A O no hydrogen 2.965 N/A THR 70.A OG1 MET 66.A O no hydrogen 2.746 N/A GLY 71.A N ARG 67.A O no hydrogen 2.967 N/A LEU 72.A N VAL 68.A O no hydrogen 2.928 N/A THR 73.A N PHE 69.A O no hydrogen 2.854 N/A THR 73.A OG1 PHE 69.A O no hydrogen 2.805 N/A LEU 74.A N THR 70.A O no hydrogen 2.937 N/A LEU 75.A N GLY 71.A O no hydrogen 3.012 N/A ASP 76.A N LEU 72.A O no hydrogen 2.956 N/A THR 77.A N THR 73.A O no hydrogen 2.791 N/A THR 77.A OG1 THR 73.A O no hydrogen 2.724 N/A ILE 78.A N LEU 74.A O no hydrogen 3.030 N/A GLN 79.A N LEU 75.A O no hydrogen 2.858 N/A GLN 79.A NE2 SER 163.A OG no hydrogen 2.789 N/A GLY 80.A N ASP 76.A O no hydrogen 2.968 N/A THR 81.A N THR 77.A O no hydrogen 3.110 N/A THR 81.A OG1 THR 77.A O no hydrogen 2.619 N/A VAL 82.A N ILE 78.A O no hydrogen 2.824 N/A GLY 83.A N ILE 78.A O no hydrogen 2.859 N/A ALA 84.A N GLN 79.A O no hydrogen 2.869 N/A SER 86.A N VAL 82.A O no hydrogen 2.968 N/A SER 86.A N GLY 83.A O no hydrogen 2.963 N/A SER 86.A OG GLY 83.A O no hydrogen 2.781 N/A LEU 87.A N ALA 84.A O no hydrogen 3.065 N/A LEU 88.A N ILE 85.A O no hydrogen 3.270 N/A ASP 90.A N LEU 87.A O no hydrogen 3.201 N/A ALA 91.A N LEU 88.A O no hydrogen 3.207 N/A GLU 92.A N GLU 96.A OE1 no hydrogen 2.774 N/A THR 93.A OG1 ASP 28.A OD2 no hydrogen 2.606 N/A HIS 95.A NE2 ASN 19.A O no hydrogen 2.916 N/A GLU 96.A N THR 93.A OG1 no hydrogen 2.959 N/A GLU 97.A N THR 93.A O no hydrogen 3.264 N/A ALA 98.A N MET 94.A O no hydrogen 3.093 N/A VAL 99.A N HIS 95.A O no hydrogen 2.997 N/A TYR 100.A N GLU 96.A O no hydrogen 2.960 N/A TYR 100.A OH GLU 96.A OE2 no hydrogen 2.616 N/A THR 101.A N GLU 97.A O no hydrogen 3.172 N/A THR 101.A OG1 ALA 98.A O no hydrogen 2.730 N/A ASN 102.A N ALA 98.A O no hydrogen 3.197 N/A ILE 103.A N VAL 99.A O no hydrogen 2.936 N/A ALA 104.A N TYR 100.A O no hydrogen 2.939 N/A PHE 105.A N THR 101.A O no hydrogen 3.175 N/A MET 106.A N ASN 102.A O no hydrogen 2.807 N/A GLU 107.A N ILE 103.A O no hydrogen 2.813 N/A SER 108.A N ALA 104.A O no hydrogen 3.202 N/A SER 108.A OG ALA 104.A O no hydrogen 3.509 N/A VAL 109.A N PHE 105.A O no hydrogen 2.996 N/A HIS 110.A N MET 106.A O no hydrogen 2.847 N/A HIS 110.A ND1 ASP 76.A OD2 no hydrogen 3.035 N/A HIS 110.A NE2 ASP 200.A OD2 no hydrogen 2.811 N/A ALA 111.A N GLU 107.A O no hydrogen 2.903 N/A LYS 112.A N SER 108.A O no hydrogen 2.951 N/A LYS 112.A NZ ASN 116.A OD1 no hydrogen 3.053 N/A SER 113.A N VAL 109.A O no hydrogen 2.936 N/A SER 113.A OG VAL 109.A O no hydrogen 2.893 N/A ASN 116.A N LYS 112.A O no hydrogen 2.927 N/A ASN 116.A ND2 GLU 43.A OE2 no hydrogen 2.862 N/A ILE 117.A N SER 113.A O no hydrogen 3.003 N/A PHE 118.A N TYR 114.A O no hydrogen 2.918 N/A MET 119.A N SER 115.A O no hydrogen 2.742 N/A THR 120.A N ASN 116.A O no hydrogen 3.087 N/A THR 120.A OG1 ASN 116.A O no hydrogen 2.717 N/A LEU 121.A N ILE 117.A O no hydrogen 2.965 N/A ALA 122.A N PHE 118.A O no hydrogen 2.814 N/A SER 123.A N GLN 126.A OE1 no hydrogen 3.024 N/A SER 123.A OG GLN 126.A OE1 no hydrogen 3.346 N/A GLN 126.A N SER 123.A OG no hydrogen 3.226 N/A GLN 126.A NE2 GLN 62.A OE1 no hydrogen 2.855 N/A ILE 127.A N SER 123.A O no hydrogen 3.047 N/A ASN 128.A N THR 124.A O no hydrogen 3.022 N/A GLU 129.A N PRO 125.A O no hydrogen 2.728 N/A ALA 130.A N GLN 126.A O no hydrogen 3.044 N/A PHE 131.A N ILE 127.A O no hydrogen 3.054 N/A ARG 132.A N ASN 128.A O no hydrogen 2.917 N/A ARG 132.A NE GLU 135.A OE1 no hydrogen 2.858 N/A ARG 132.A NH1 GLU 135.A OE1 no hydrogen 3.357 N/A ARG 132.A NH1 GLU 135.A OE2 no hydrogen 2.907 N/A TRP 133.A N GLU 129.A O no hydrogen 2.863 N/A SER 134.A N ALA 130.A O no hydrogen 2.928 N/A SER 134.A OG PHE 131.A O no hydrogen 2.740 N/A GLU 135.A N PHE 131.A O no hydrogen 3.299 N/A GLU 135.A N ARG 132.A O no hydrogen 3.137 N/A GLU 136.A N TRP 133.A O no hydrogen 3.095 N/A ASN 139.A ND2 ASN 241.A OD1 no hydrogen 2.802 N/A ASN 139.A ND2 GLU 244.A OE1 no hydrogen 3.047 N/A LEU 140.A N ASN 137.A OD1 no hydrogen 2.876 N/A GLN 141.A N ASN 137.A O no hydrogen 2.926 N/A GLN 141.A NE2 SER 134.A O no hydrogen 2.874 N/A ARG 142.A N GLU 138.A O no hydrogen 2.954 N/A LYS 143.A N ASN 139.A O no hydrogen 3.016 N/A LYS 143.A NZ GLU 242.A OE1 no hydrogen 2.640 N/A LYS 143.A NZ GLU 242.A OE2 no hydrogen 3.346 N/A ALA 144.A N LEU 140.A O no hydrogen 3.107 N/A LYS 145.A N GLN 141.A O no hydrogen 2.954 N/A ILE 146.A N ARG 142.A O no hydrogen 2.892 N/A ILE 147.A N LYS 143.A O no hydrogen 3.176 N/A MET 148.A N ALA 144.A O no hydrogen 2.880 N/A SER 149.A N LYS 145.A O no hydrogen 2.936 N/A SER 149.A N ILE 146.A O no hydrogen 3.233 N/A SER 149.A OG ILE 146.A O no hydrogen 2.649 N/A TYR 150.A N ILE 147.A O no hydrogen 3.050 N/A TYR 151.A N ILE 147.A O no hydrogen 3.226 N/A TYR 151.A OH GLN 79.A OE1 no hydrogen 2.621 N/A ASN 152.A N MET 148.A O no hydrogen 2.920 N/A ASN 152.A ND2 MET 148.A O no hydrogen 2.807 N/A GLY 153.A N TYR 150.A O no hydrogen 3.032 N/A LYS 158.A N ASP 155.A OD1 no hydrogen 3.090 N/A LYS 159.A N ASP 155.A O no hydrogen 3.163 N/A LYS 159.A NZ SER 86.A O no hydrogen 3.389 N/A LYS 159.A NZ ASP 90.A OD2 no hydrogen 3.235 N/A LYS 160.A N PRO 156.A O no hydrogen 3.338 N/A VAL 161.A N LEU 157.A O no hydrogen 2.950 N/A ALA 162.A N LYS 158.A O no hydrogen 2.883 N/A SER 163.A N LYS 159.A O no hydrogen 2.912 N/A THR 164.A N LYS 160.A O no hydrogen 3.009 N/A THR 164.A OG1 LYS 160.A O no hydrogen 2.879 N/A LEU 165.A N VAL 161.A O no hydrogen 2.842 N/A LEU 166.A N ALA 162.A O no hydrogen 2.829 N/A GLU 167.A N SER 163.A O no hydrogen 2.859 N/A SER 168.A N THR 164.A O no hydrogen 2.780 N/A PHE 169.A N LEU 165.A O no hydrogen 3.025 N/A LEU 170.A N LEU 165.A O no hydrogen 2.937 N/A PHE 171.A N LEU 166.A O no hydrogen 2.829 N/A TYR 172.A N GLU 167.A O no hydrogen 3.288 N/A SER 173.A N PHE 169.A O no hydrogen 3.163 N/A SER 173.A OG PHE 169.A O no hydrogen 2.732 N/A GLY 174.A N PHE 171.A O no hydrogen 2.875 N/A PHE 175.A N TYR 172.A O no hydrogen 2.985 N/A TYR 176.A N SER 173.A O no hydrogen 3.272 N/A TYR 176.A OH ASP 258.A OD1 no hydrogen 2.646 N/A MET 179.A N PHE 175.A O no hydrogen 3.223 N/A TYR 180.A N TYR 176.A O no hydrogen 2.805 N/A LEU 181.A N LEU 177.A O no hydrogen 2.979 N/A SER 182.A N PRO 178.A O no hydrogen 2.959 N/A SER 183.A N MET 179.A O no hydrogen 2.955 N/A SER 183.A OG TYR 180.A O no hydrogen 2.684 N/A ARG 184.A N TYR 180.A O no hydrogen 3.180 N/A ARG 184.A N LEU 181.A O no hydrogen 2.945 N/A ARG 184.A NH1 SER 183.A OG no hydrogen 2.808 N/A ALA 185.A N SER 182.A O no hydrogen 2.959 N/A LYS 186.A N LEU 181.A O no hydrogen 2.826 N/A LYS 186.A NZ GLU 61.A OE2 no hydrogen 3.482 N/A LEU 187.A N SER 53.A OG no hydrogen 3.092 N/A ASN 189.A N ASP 50.A OD1 no hydrogen 3.056 N/A THR 190.A N ASP 50.A OD2 no hydrogen 2.696 N/A THR 190.A OG1 ASP 50.A OD2 no hydrogen 2.866 N/A ALA 191.A N LEU 187.A O no hydrogen 2.992 N/A ASP 192.A N THR 188.A O no hydrogen 3.273 N/A ASP 192.A N ASN 189.A O no hydrogen 2.951 N/A ILE 193.A N ASN 189.A O no hydrogen 3.413 N/A ILE 194.A N THR 190.A O no hydrogen 3.015 N/A ARG 195.A N ALA 191.A O no hydrogen 2.842 N/A LEU 196.A N ASP 192.A O no hydrogen 3.210 N/A ILE 197.A N ILE 193.A O no hydrogen 3.026 N/A ILE 198.A N ILE 194.A O no hydrogen 2.839 N/A ARG 199.A N ARG 195.A O no hydrogen 2.990 N/A ASP 200.A N LEU 196.A O no hydrogen 3.286 N/A GLU 201.A N ILE 197.A O no hydrogen 2.808 N/A SER 202.A N ILE 198.A O no hydrogen 2.938 N/A HIS 204.A N ASP 200.A O no hydrogen 2.930 N/A HIS 204.A ND1 GLU 167.A OE1 no hydrogen 3.159 N/A GLY 205.A N GLU 201.A O no hydrogen 3.025 N/A TYR 206.A N SER 202.A O no hydrogen 3.281 N/A TYR 207.A N VAL 203.A O no hydrogen 2.887 N/A TYR 207.A OH ASP 28.A OD1 no hydrogen 2.649 N/A ILE 208.A N HIS 204.A O no hydrogen 2.930 N/A GLY 209.A N GLY 205.A O no hydrogen 2.998 N/A TYR 210.A N TYR 206.A O no hydrogen 2.891 N/A TYR 210.A OH ASP 25.A OD1 no hydrogen 3.355 N/A TYR 210.A OH ASP 25.A OD2 no hydrogen 2.548 N/A LYS 211.A N TYR 207.A O no hydrogen 2.994 N/A LYS 211.A NZ ASP 28.A OD1 no hydrogen 2.771 N/A LYS 211.A NZ ASP 28.A OD2 no hydrogen 3.526 N/A LYS 211.A NZ GLU 96.A OE1 no hydrogen 2.917 N/A TYR 212.A N ILE 208.A O no hydrogen 2.890 N/A TYR 212.A OH TYR 276.A OH no hydrogen 2.704 N/A GLN 213.A N GLY 209.A O no hydrogen 2.820 N/A GLN 213.A NE2 ASN 273.A O no hydrogen 2.942 N/A GLN 214.A N TYR 210.A O no hydrogen 2.920 N/A GLY 215.A N LYS 211.A O no hydrogen 3.016 N/A VAL 216.A N TYR 212.A O no hydrogen 2.875 N/A LYS 217.A N GLN 213.A O no hydrogen 3.097 N/A LYS 218.A N GLY 215.A O no hydrogen 3.124 N/A LEU 219.A N VAL 216.A O no hydrogen 3.107 N/A SER 220.A N GLU 223.A OE2 no hydrogen 3.223 N/A SER 220.A OG GLU 223.A OE2 no hydrogen 2.804 N/A GLU 223.A N SER 220.A OG no hydrogen 3.200 N/A GLN 224.A N SER 220.A O no hydrogen 2.824 N/A GLU 225.A N GLU 221.A O no hydrogen 2.867 N/A GLU 226.A N ALA 222.A O no hydrogen 3.004 N/A TYR 227.A N GLU 223.A O no hydrogen 3.048 N/A TYR 227.A OH ASP 155.A OD1 no hydrogen 3.114 N/A TYR 227.A OH ASP 155.A OD2 no hydrogen 2.615 N/A LYS 228.A N GLN 224.A O no hydrogen 2.979 N/A LYS 228.A NZ GLU 277.A OE1 no hydrogen 2.712 N/A LYS 228.A NZ GLU 277.A OE2 no hydrogen 3.316 N/A ALA 229.A N GLU 225.A O no hydrogen 2.879 N/A TYR 230.A N GLU 226.A O no hydrogen 2.948 N/A THR 231.A N TYR 227.A O no hydrogen 2.886 N/A THR 231.A OG1 TYR 227.A O no hydrogen 2.937 N/A PHE 232.A N LYS 228.A O no hydrogen 2.930 N/A ASP 233.A N ALA 229.A O no hydrogen 2.986 N/A LEU 234.A N TYR 230.A O no hydrogen 2.970 N/A MET 235.A N THR 231.A O no hydrogen 2.797 N/A TYR 236.A N PHE 232.A O no hydrogen 2.961 N/A ASP 237.A N ASP 233.A O no hydrogen 3.017 N/A LEU 238.A N LEU 234.A O no hydrogen 2.880 N/A TYR 239.A N MET 235.A O no hydrogen 2.886 N/A GLU 240.A N TYR 236.A O no hydrogen 2.870 N/A ASN 241.A N ASP 237.A O no hydrogen 3.119 N/A ASN 241.A ND2 ASN 139.A O no hydrogen 3.000 N/A GLU 242.A N LEU 238.A O no hydrogen 2.798 N/A ILE 243.A N TYR 239.A O no hydrogen 2.787 N/A GLU 244.A N GLU 240.A O no hydrogen 3.334 N/A TYR 245.A N ASN 241.A O no hydrogen 3.049 N/A THR 246.A N GLU 242.A O no hydrogen 2.791 N/A THR 246.A OG1 GLU 242.A O no hydrogen 2.754 N/A GLU 247.A N ILE 243.A O no hydrogen 2.932 N/A ASP 248.A N GLU 244.A O no hydrogen 3.019 N/A ILE 249.A N TYR 245.A O no hydrogen 2.978 N/A TYR 250.A N THR 246.A O no hydrogen 2.829 N/A ASP 251.A N GLU 247.A O no hydrogen 3.036 N/A GLY 254.A N TYR 250.A O no hydrogen 2.922 N/A TRP 255.A N TYR 250.A O no hydrogen 3.317 N/A THR 256.A OG1 ASP 251.A OD1 no hydrogen 2.635 N/A VAL 259.A N TRP 255.A O no hydrogen 3.108 N/A LYS 260.A N THR 256.A O no hydrogen 2.888 N/A LYS 260.A NZ GLU 247.A OE2 no hydrogen 2.730 N/A ARG 261.A N GLU 257.A O no hydrogen 3.166 N/A ARG 261.A NE ASP 258.A OD2 no hydrogen 3.199 N/A ARG 261.A NH2 ASP 258.A OD2 no hydrogen 2.895 N/A PHE 262.A N ASP 258.A O no hydrogen 3.079 N/A LEU 263.A N VAL 259.A O no hydrogen 2.844 N/A ARG 264.A N LYS 260.A O no hydrogen 3.176 N/A ARG 264.A NE GLU 284.A O no hydrogen 2.811 N/A ARG 264.A NH1 TYR 239.A OH no hydrogen 3.029 N/A TYR 265.A N ARG 261.A O no hydrogen 2.902 N/A ASN 266.A N PHE 262.A O no hydrogen 2.864 N/A ASN 266.A ND2 SER 173.A OG no hydrogen 3.118 N/A ALA 267.A N LEU 263.A O no hydrogen 2.817 N/A ASN 268.A N ARG 264.A O no hydrogen 3.030 N/A ASN 268.A ND2 PHE 280.A O no hydrogen 2.915 N/A LYS 269.A N TYR 265.A O no hydrogen 3.055 N/A LYS 269.A NZ TYR 265.A OH no hydrogen 3.281 N/A ALA 270.A N ASN 266.A O no hydrogen 2.877 N/A LEU 271.A N ALA 267.A O no hydrogen 2.989 N/A ASN 272.A N ASN 268.A O no hydrogen 2.905 N/A ASN 273.A N LYS 269.A O no hydrogen 2.915 N/A ASN 273.A ND2 SER 168.A OG no hydrogen 2.894 N/A LEU 274.A N ALA 270.A O no hydrogen 3.249 N/A LEU 274.A N LEU 271.A O no hydrogen 2.960 N/A GLY 275.A N ASN 272.A O no hydrogen 2.917 N/A TYR 276.A N LEU 271.A O no hydrogen 2.926 N/A TYR 276.A OH TYR 212.A OH no hydrogen 2.704 N/A GLU 277.A N GLU 277.A OE1 no hydrogen 2.722 N/A PHE 280.A N ASN 268.A OD1 no hydrogen 3.174 N/A GLU 284.A N PRO 281.A O no hydrogen 3.009 N/A THR 285.A N THR 282.A O no hydrogen 3.004 N/A THR 285.A OG1 THR 282.A O no hydrogen 2.665 N/A VAL 287.A N THR 285.A O no hydrogen 2.782 N/A SER 288.A N ASP 258.A OD2 no hydrogen 2.932 N/A SER 288.A OG ASP 258.A OD1 no hydrogen 2.706 N/A ILE 291.A N SER 288.A O no hydrogen 2.981 N/A LEU 292.A N SER 288.A O no hydrogen 3.365 N/A SER 293.A N PRO 289.A O no hydrogen 2.905 N/A SER 293.A OG PRO 289.A O no hydrogen 3.426 N/A SER 293.A OG ALA 290.A O no hydrogen 3.221 N/A SER 294.A N ALA 290.A O no hydrogen 2.915 N/A SER 294.A OG MET 179.A O no hydrogen 3.482 N/A SER 294.A OG ALA 290.A O no hydrogen 3.426 N/A SER 294.A OG ILE 291.A O no hydrogen 3.527 N/A LEU 295.A N ILE 291.A O no hydrogen 3.087 N/A SER 296.A OG SER 296.A O no hydrogen 2.332 N/A