Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1yb5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N ILE 23.A O no hydrogen 2.696 N/A ARG 4.A N GLU 100.A OE1 no hydrogen 3.010 N/A ARG 4.A NE GLU 100.A OE2 no hydrogen 3.336 N/A ARG 4.A NH1 GLU 301.A OE1 no hydrogen 2.634 N/A ARG 4.A NH2 GLU 100.A OE2 no hydrogen 3.100 N/A ARG 4.A NH2 LEU 324.A O no hydrogen 2.851 N/A ALA 5.A N ARG 20.A O no hydrogen 2.940 N/A VAL 6.A N TYR 98.A O no hydrogen 2.904 N/A ARG 7.A N LYS 18.A O no hydrogen 2.757 N/A ARG 7.A NH2 THR 63.A OG1 no hydrogen 3.032 N/A VAL 8.A N TYR 62.A O no hydrogen 2.924 N/A GLY 12.A N ARG 50.A O no hydrogen 2.954 N/A GLY 13.A N GLU 15.A OE1 no hydrogen 2.957 N/A GLU 15.A N GLU 15.A OE2 no hydrogen 2.756 N/A VAL 16.A N GLY 13.A O no hydrogen 3.012 N/A LEU 17.A N PRO 14.A O no hydrogen 3.159 N/A LYS 18.A N ARG 7.A O no hydrogen 2.932 N/A LYS 18.A NZ GLU 15.A O no hydrogen 2.979 N/A ARG 20.A N ALA 5.A O no hydrogen 2.920 N/A ARG 20.A NH1.A LEU 19.A O no hydrogen 3.155 N/A ILE 23.A N MET 3.A O no hydrogen 3.078 N/A VAL 25.A N LYS 1.A O no hydrogen 2.967 N/A LYS 29.A N GLN 32.A OE1 no hydrogen 2.976 N/A HIS 31.A ND1 ASP 106.A OD2 no hydrogen 2.924 N/A GLN 32.A N LYS 29.A O no hydrogen 3.014 N/A VAL 33.A N ALA 104.A O no hydrogen 2.770 N/A LEU 34.A N ALA 74.A O no hydrogen 2.841 N/A ILE 35.A N ALA 102.A O no hydrogen 2.718 N/A LYS 36.A N VAL 71.A O no hydrogen 2.700 N/A VAL 37.A N GLU 100.A O no hydrogen 2.873 N/A HIS 38.A N ALA 69.A O no hydrogen 2.844 N/A ALA 39.A N ALA 69.A O no hydrogen 3.263 N/A CYS 40.A N LEU 322.A O no hydrogen 2.933 N/A CYS 40.A SG GLY 41.A O no hydrogen 3.625 N/A CYS 40.A SG ASP 67.A O no hydrogen 3.595 N/A GLY 41.A N ASP 67.A O no hydrogen 2.812 N/A VAL 42.A N MET 320.A O no hydrogen 2.859 N/A ASN 43.A N GLU 46.A OE1 no hydrogen 2.834 N/A ASN 43.A ND2 GLU 46.A OE2 no hydrogen 3.199 N/A ASN 43.A ND2 ASP 67.A OD2 no hydrogen 3.045 N/A GLU 46.A N ASN 43.A O no hydrogen 2.870 N/A THR 47.A N PRO 44.A O no hydrogen 2.824 N/A THR 47.A OG1 PRO 44.A O no hydrogen 2.651 N/A TYR 48.A N PRO 44.A O no hydrogen 3.268 N/A ILE 49.A N VAL 45.A O no hydrogen 2.890 N/A ARG 50.A N GLU 46.A O no hydrogen 3.045 N/A ARG 50.A NE GLY 12.A O no hydrogen 2.838 N/A ARG 50.A NH1 HIS 307.A ND1 no hydrogen 3.118 N/A ARG 50.A NH2 GLY 12.A O no hydrogen 3.393 N/A SER 51.A N THR 47.A O no hydrogen 3.088 N/A SER 51.A OG TYR 48.A O no hydrogen 2.848 N/A SER 51.A OG THR 53.A OG1 no hydrogen 2.654 N/A GLY 52.A N ILE 49.A O no hydrogen 2.976 N/A THR 53.A N SER 51.A OG no hydrogen 3.323 N/A THR 53.A OG1 SER 51.A OG no hydrogen 2.654 N/A LYS 57.A NZ GLY 52.A O no hydrogen 3.210 N/A TYR 62.A N VAL 8.A O no hydrogen 3.116 N/A THR 63.A OG1 VAL 6.A O no hydrogen 2.875 N/A SER 66.A OG ASP 67.A OD1 no hydrogen 2.721 N/A VAL 68.A N THR 90.A OG1 no hydrogen 2.854 N/A ALA 69.A N ALA 39.A O no hydrogen 2.958 N/A GLY 70.A N VAL 88.A O no hydrogen 3.065 N/A VAL 71.A N LYS 36.A O no hydrogen 3.045 N/A ILE 72.A N ASP 86.A O no hydrogen 2.852 N/A GLU 73.A N LEU 34.A O no hydrogen 2.792 N/A ALA 74.A N LEU 34.A O no hydrogen 3.383 N/A GLY 76.A N GLN 32.A O no hydrogen 2.879 N/A ASN 78.A N ASP 30.A O no hydrogen 2.830 N/A ASN 78.A ND2 ASP 30.A OD2 no hydrogen 2.516 N/A ALA 79.A N GLY 76.A O no hydrogen 3.271 N/A PHE 82.A N ALA 79.A O no hydrogen 3.282 N/A LYS 83.A N ASP 86.A OD1 no hydrogen 2.977 N/A LYS 83.A NZ ASP 86.A OD2 no hydrogen 3.183 N/A GLY 85.A N ILE 72.A O no hydrogen 2.934 N/A ASP 86.A N LYS 83.A O no hydrogen 3.015 N/A ARG 87.A NH1 PRO 113.A O no hydrogen 3.018 N/A ARG 87.A NH1 LEU 116.A O no hydrogen 3.382 N/A ARG 87.A NH2 LEU 116.A O no hydrogen 2.810 N/A VAL 88.A N GLY 70.A O no hydrogen 2.878 N/A PHE 89.A N TYR 110.A O no hydrogen 2.963 N/A THR 90.A N VAL 68.A O no hydrogen 2.862 N/A THR 90.A OG1 SER 66.A O no hydrogen 2.642 N/A THR 90.A OG1 SER 92.A O no hydrogen 3.494 N/A SER 91.A N THR 108.A O no hydrogen 3.097 N/A SER 91.A OG TYR 110.A OH no hydrogen 2.610 N/A SER 92.A OG SER 91.A O no hydrogen 3.241 N/A THR 93.A OG1 GLY 65.A O no hydrogen 2.828 N/A ILE 94.A N LEU 103.A O no hydrogen 2.766 N/A SER 95.A N LEU 103.A O no hydrogen 3.327 N/A GLY 96.A N THR 93.A OG1 no hydrogen 2.970 N/A GLY 97.A N GLY 65.A O no hydrogen 2.848 N/A TYR 98.A N PRO 64.A O no hydrogen 2.945 N/A TYR 98.A OH GLU 46.A OE1 no hydrogen 2.557 N/A TYR 98.A OH HIS 307.A NE2 no hydrogen 2.756 N/A ALA 99.A N GLY 97.A O no hydrogen 2.812 N/A GLU 100.A N ARG 4.A O no hydrogen 2.993 N/A ALA 102.A N ILE 35.A O no hydrogen 2.927 N/A LEU 103.A N SER 95.A OG no hydrogen 2.839 N/A ALA 104.A N VAL 33.A O no hydrogen 2.888 N/A ASP 106.A N HIS 31.A O no hydrogen 2.815 N/A THR 108.A N ALA 105.A O no hydrogen 2.927 N/A THR 108.A OG1 SER 92.A O no hydrogen 3.288 N/A THR 108.A OG1 ALA 105.A O no hydrogen 2.993 N/A VAL 109.A N ASP 106.A O no hydrogen 3.322 N/A TYR 110.A N PHE 89.A O no hydrogen 2.934 N/A TYR 110.A OH SER 91.A OG no hydrogen 2.610 N/A LEU 112.A N ARG 87.A O no hydrogen 2.876 N/A LYS 115.A NZ GLU 286.A O no hydrogen 2.934 N/A LEU 116.A N PRO 113.A O no hydrogen 3.079 N/A ASP 117.A N GLN 120.A OE1 no hydrogen 3.098 N/A LYS 119.A NZ GLN 297.A OE1 no hydrogen 2.682 N/A GLN 120.A N ASP 117.A OD2 no hydrogen 2.706 N/A GLN 120.A NE2 PRO 292.A O no hydrogen 3.060 N/A GLY 121.A N ASP 117.A O no hydrogen 2.852 N/A ALA 122.A N PHE 118.A O no hydrogen 3.043 N/A ALA 123.A N GLN 120.A O no hydrogen 2.998 N/A ILE 124.A N GLY 121.A O no hydrogen 3.381 N/A ILE 126.A N ASP 67.A OD2 no hydrogen 2.720 N/A TYR 128.A N ILE 124.A O no hydrogen 2.861 N/A TYR 128.A OH GLN 162.A OE1 no hydrogen 2.631 N/A PHE 129.A N GLY 125.A O no hydrogen 3.399 N/A THR 130.A N ILE 126.A O no hydrogen 2.981 N/A THR 130.A OG1 ILE 126.A O no hydrogen 2.747 N/A ALA 131.A N PRO 127.A O no hydrogen 2.968 N/A TYR 132.A N TYR 128.A O no hydrogen 2.926 N/A ARG 133.A N PHE 129.A O no hydrogen 2.957 N/A ARG 133.A NH2 GLU 273.A OE1 no hydrogen 3.058 N/A ARG 133.A NH2 TYR 277.A OH no hydrogen 2.817 N/A ALA 134.A N THR 130.A O no hydrogen 2.873 N/A LEU 135.A N ALA 131.A O no hydrogen 2.974 N/A ILE 136.A N TYR 132.A O no hydrogen 2.793 N/A HIS 137.A N ARG 133.A O no hydrogen 2.875 N/A SER 138.A N ARG 133.A O no hydrogen 2.848 N/A ALA 139.A N ALA 134.A O no hydrogen 2.865 N/A CYS 140.A SG.A ILE 136.A O no hydrogen 4.026 N/A CYS 140.A SG.A HIS 137.A O no hydrogen 3.522 N/A VAL 141.A N LEU 135.A O no hydrogen 2.960 N/A LYS 142.A N GLU 145.A OE2 no hydrogen 2.876 N/A GLU 145.A N LYS 142.A O no hydrogen 3.257 N/A SER 146.A N ASP 214.A OD2 no hydrogen 2.889 N/A SER 146.A OG ASP 214.A OD2 no hydrogen 3.346 N/A VAL 147.A N LYS 170.A O no hydrogen 2.870 N/A LEU 148.A N ILE 215.A O no hydrogen 2.815 N/A VAL 149.A N LEU 172.A O no hydrogen 2.864 N/A HIS 150.A N ILE 217.A O no hydrogen 2.896 N/A HIS 150.A ND1 ASP 228.A OD1 no hydrogen 2.951 N/A HIS 150.A NE2 TYR 200.A OH no hydrogen 2.616 N/A GLY 151.A N THR 174.A OG1 no hydrogen 2.923 N/A ALA 152.A N THR 174.A O no hydrogen 2.799 N/A LEU 158.A N GLY 154.A O no hydrogen 3.029 N/A ALA 159.A N GLY 155.A O no hydrogen 3.355 N/A ALA 160.A N VAL 156.A O no hydrogen 2.798 N/A CYS 161.A N GLY 157.A O no hydrogen 2.924 N/A CYS 161.A SG GLY 157.A O no hydrogen 3.422 N/A GLN 162.A N LEU 158.A O no hydrogen 2.947 N/A GLN 162.A NE2 ASN 187.A OD1 no hydrogen 2.861 N/A GLN 162.A NE2 LYS 291.A O no hydrogen 2.778 N/A ILE 163.A N ALA 159.A O no hydrogen 2.957 N/A ALA 164.A N ALA 160.A O no hydrogen 2.872 N/A ARG 165.A N CYS 161.A O no hydrogen 2.884 N/A ALA 166.A N GLN 162.A O no hydrogen 3.014 N/A TYR 167.A N ILE 163.A O no hydrogen 3.075 N/A GLY 168.A N ARG 165.A O no hydrogen 2.956 N/A LEU 169.A N ALA 164.A O no hydrogen 3.053 N/A LYS 170.A N GLU 145.A O no hydrogen 2.942 N/A LYS 170.A NZ TYR 207.A OH no hydrogen 2.871 N/A ILE 171.A N HIS 190.A ND1 no hydrogen 2.890 N/A LEU 172.A N VAL 147.A O no hydrogen 2.797 N/A GLY 173.A N GLU 191.A O no hydrogen 3.140 N/A THR 174.A N VAL 149.A O no hydrogen 3.199 N/A THR 174.A OG1 HIS 195.A ND1 no hydrogen 2.894 N/A ALA 175.A N PHE 193.A O no hydrogen 3.034 N/A GLY 180.A N THR 177.A OG1 no hydrogen 2.924 N/A GLN 181.A N THR 177.A O no hydrogen 2.823 N/A LYS 182.A N GLU 178.A O no hydrogen 3.065 N/A LYS 182.A NZ GLU 179.A OE1 no hydrogen 2.841 N/A ILE 183.A N GLU 179.A O no hydrogen 3.131 N/A VAL 184.A N GLY 180.A O no hydrogen 3.216 N/A LEU 185.A N GLN 181.A O no hydrogen 3.063 N/A GLN 186.A N LYS 182.A O no hydrogen 2.872 N/A ASN 187.A N ILE 183.A O no hydrogen 3.141 N/A ASN 187.A N VAL 184.A O no hydrogen 3.200 N/A ASN 187.A ND2 ILE 183.A O no hydrogen 2.887 N/A GLY 188.A N LEU 185.A O no hydrogen 3.349 N/A ALA 189.A N VAL 184.A O no hydrogen 3.294 N/A HIS 190.A N ILE 171.A O no hydrogen 2.768 N/A GLU 191.A N ILE 171.A O no hydrogen 3.327 N/A VAL 192.A N GLU 191.A OE2 no hydrogen 2.949 N/A PHE 193.A N GLY 173.A O no hydrogen 2.968 N/A HIS 195.A N ALA 175.A O no hydrogen 2.983 N/A HIS 195.A ND1 THR 174.A OG1 no hydrogen 2.894 N/A ARG 196.A N ASN 194.A OD1 no hydrogen 2.872 N/A ARG 196.A NH2 SER 314.A O no hydrogen 2.764 N/A GLU 197.A N ASN 194.A O no hydrogen 2.885 N/A ASN 199.A ND2 ASP 202.A OD1 no hydrogen 2.563 N/A TYR 200.A N GLU 197.A O no hydrogen 3.382 N/A TYR 200.A OH HIS 150.A NE2 no hydrogen 2.616 N/A LYS 203.A NZ GLU 197.A OE2 no hydrogen 3.022 N/A ILE 204.A N TYR 200.A O no hydrogen 3.022 N/A LYS 205.A N ILE 201.A O no hydrogen 2.784 N/A LYS 206.A N ASP 202.A O no hydrogen 2.809 N/A TYR 207.A N LYS 203.A O no hydrogen 2.959 N/A VAL 208.A N ILE 204.A O no hydrogen 2.859 N/A GLY 209.A N LYS 205.A O no hydrogen 2.779 N/A GLY 212.A N GLY 209.A O no hydrogen 3.190 N/A ILE 213.A N LEU 231.A O no hydrogen 2.822 N/A ASP 214.A N SER 146.A OG no hydrogen 2.979 N/A ILE 215.A N SER 146.A O no hydrogen 2.966 N/A ILE 216.A N ARG 237.A O no hydrogen 2.937 N/A ILE 217.A N LEU 148.A O no hydrogen 2.858 N/A GLU 218.A N ILE 239.A O no hydrogen 2.933 N/A MET 219.A N HIS 150.A O no hydrogen 3.032 N/A LEU 220.A N GLU 218.A OE1 no hydrogen 2.852 N/A ALA 221.A N GLY 242.A O no hydrogen 2.891 N/A VAL 223.A N LEU 220.A O no hydrogen 3.008 N/A ASN 224.A N LEU 220.A O no hydrogen 3.102 N/A ASN 224.A ND2 GLU 218.A OE1 no hydrogen 3.023 N/A LEU 225.A N ALA 221.A O no hydrogen 2.897 N/A ASP 228.A N ASN 224.A O no hydrogen 2.828 N/A LEU 229.A N LEU 225.A O no hydrogen 3.125 N/A SER 230.A N SER 226.A O no hydrogen 3.432 N/A SER 230.A OG LYS 227.A O no hydrogen 2.672 N/A LEU 231.A N ASP 228.A O no hydrogen 2.965 N/A SER 233.A N ILE 213.A O no hydrogen 2.870 N/A SER 233.A OG ILE 213.A O no hydrogen 3.377 N/A SER 233.A OG ASP 214.A OD1 no hydrogen 2.849 N/A GLY 235.A N LYS 257.A O no hydrogen 2.689 N/A GLY 236.A N SER 233.A O no hydrogen 2.889 N/A ARG 237.A N ASP 214.A O no hydrogen 2.828 N/A ARG 237.A NE ALA 139.A O no hydrogen 2.827 N/A ARG 237.A NH1 ALA 139.A O no hydrogen 2.818 N/A ARG 237.A NH1 GLU 145.A OE1 no hydrogen 3.311 N/A ARG 237.A NH1 GLU 145.A OE2 no hydrogen 2.880 N/A ARG 237.A NH2 GLU 145.A OE1 no hydrogen 2.989 N/A ARG 237.A NH2 ASP 214.A O no hydrogen 3.330 N/A VAL 238.A N SER 260.A O no hydrogen 2.841 N/A ILE 239.A N ILE 216.A O no hydrogen 2.767 N/A VAL 240.A N ILE 262.A O no hydrogen 2.719 N/A VAL 241.A N GLU 218.A O no hydrogen 2.985 N/A GLY 242.A N GLU 218.A O no hydrogen 3.008 N/A ARG 244.A N ASN 222.A OD1 no hydrogen 2.839 N/A ARG 244.A NE TYR 48.A OH no hydrogen 2.942 N/A ARG 244.A NH1 TYR 48.A OH no hydrogen 3.184 N/A ARG 252.A N ASN 250.A OD1 no hydrogen 3.045 N/A ASP 253.A N ASN 250.A O no hydrogen 2.836 N/A THR 254.A N PRO 251.A O no hydrogen 2.993 N/A THR 254.A OG1 PRO 251.A O no hydrogen 2.713 N/A MET 255.A N ARG 252.A O no hydrogen 3.001 N/A LYS 257.A NZ LEU 229.A O no hydrogen 3.082 N/A LYS 257.A NZ SER 230.A O no hydrogen 3.047 N/A LYS 257.A NZ LEU 232.A O no hydrogen 2.890 N/A GLU 258.A N MET 255.A O no hydrogen 3.118 N/A SER 259.A N THR 254.A O no hydrogen 2.972 N/A SER 260.A N GLY 236.A O no hydrogen 3.066 N/A ILE 262.A N VAL 238.A O no hydrogen 2.812 N/A VAL 264.A N VAL 240.A O no hydrogen 3.343 N/A THR 265.A OG1 SER 268.A OG no hydrogen 2.874 N/A SER 268.A N THR 265.A O no hydrogen 2.990 N/A SER 268.A OG THR 265.A OG1 no hydrogen 2.874 N/A SER 269.A N LEU 266.A O no hydrogen 2.940 N/A SER 269.A OG LEU 266.A O no hydrogen 2.794 N/A THR 270.A N GLU 273.A OE1 no hydrogen 2.780 N/A GLU 273.A N THR 270.A OG1 no hydrogen 3.039 N/A PHE 274.A N THR 270.A O no hydrogen 3.009 N/A GLN 275.A N LYS 271.A O no hydrogen 3.101 N/A GLN 276.A N GLU 272.A O no hydrogen 3.043 N/A TYR 277.A N GLU 273.A O no hydrogen 2.851 N/A ALA 278.A N PHE 274.A O no hydrogen 2.879 N/A ALA 279.A N GLN 275.A O no hydrogen 2.963 N/A ALA 280.A N GLN 276.A O no hydrogen 3.048 N/A LEU 281.A N TYR 277.A O no hydrogen 2.917 N/A GLN 282.A N ALA 278.A O no hydrogen 2.801 N/A GLN 282.A NE2 LYS 111.A O no hydrogen 2.779 N/A ALA 283.A N ALA 279.A O no hydrogen 3.081 N/A GLY 284.A N ALA 280.A O no hydrogen 2.978 N/A MET 285.A N LEU 281.A O no hydrogen 2.898 N/A GLU 286.A N GLN 282.A O no hydrogen 2.958 N/A ILE 287.A N ALA 283.A O no hydrogen 2.887 N/A GLY 288.A N GLY 284.A O no hydrogen 2.983 N/A LEU 290.A N GLY 284.A O no hydrogen 3.095 N/A LYS 291.A N GLN 162.A OE1 no hydrogen 3.119 N/A GLY 295.A N LYS 319.A O no hydrogen 2.809 N/A SER 296.A N LYS 319.A O no hydrogen 3.224 N/A TYR 298.A N ILE 321.A O no hydrogen 2.947 N/A LEU 300.A N LEU 323.A O no hydrogen 3.200 N/A LYS 302.A N PRO 299.A O no hydrogen 2.909 N/A VAL 303.A N LEU 300.A O no hydrogen 3.037 N/A GLU 305.A N GLU 305.A OE1.B no hydrogen 2.797 N/A ALA 306.A N LYS 302.A O no hydrogen 3.000 N/A HIS 307.A N VAL 303.A O no hydrogen 2.979 N/A HIS 307.A NE2 TYR 98.A OH no hydrogen 2.756 N/A GLU 308.A N ALA 304.A O no hydrogen 2.979 N/A ASN 309.A N GLU 305.A O no hydrogen 2.774 N/A ASN 309.A ND2 TYR 298.A OH no hydrogen 2.829 N/A ILE 310.A N ALA 306.A O no hydrogen 2.969 N/A HIS 312.A N GLU 308.A O no hydrogen 2.816 N/A GLY 313.A N ASN 309.A O no hydrogen 2.806 N/A LYS 319.A N VAL 293.A O no hydrogen 2.841 N/A LYS 319.A NZ VAL 42.A O no hydrogen 3.022 N/A ILE 321.A N SER 296.A O no hydrogen 3.042 N/A LEU 322.A N CYS 40.A O no hydrogen 2.712 N/A LEU 323.A N TYR 298.A O no hydrogen 2.743 N/A LEU 324.A N HIS 38.A O no hydrogen 3.215 N/A