Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rdq_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N PRO 93.A O no hydrogen 3.299 N/A GLY 1.A N LEU 95.A O no hydrogen 3.038 N/A ASN 2.A ND2 ASN 91.A OD1 no hydrogen 3.497 N/A SER 6.A N GLU 9.A OE1 no hydrogen 2.990 N/A SER 6.A OG.A GLU 9.A OE1 no hydrogen 2.695 N/A GLU 9.A N SER 6.A OG.A no hydrogen 3.092 N/A GLU 9.A N SER 6.A OG.B no hydrogen 3.349 N/A PHE 10.A N SER 6.A O no hydrogen 2.879 N/A LEU 11.A N VAL 7.A O no hydrogen 2.844 N/A ALA 12.A N LYS 8.A O no hydrogen 2.940 N/A LYS 13.A N GLU 9.A O no hydrogen 3.044 N/A ALA 14.A N PHE 10.A O no hydrogen 2.874 N/A LYS 15.A N LEU 11.A O no hydrogen 2.871 N/A LYS 15.A NZ SER 151.A O no hydrogen 3.002 N/A LYS 15.A NZ ASP 153.A OD2 no hydrogen 2.898 N/A GLU 16.A N ALA 12.A O no hydrogen 3.031 N/A ASP 17.A N LYS 13.A O no hydrogen 2.950 N/A PHE 18.A N ALA 14.A O no hydrogen 2.969 N/A LEU 19.A N LYS 15.A O no hydrogen 2.848 N/A LYS 20.A N GLU 16.A O no hydrogen 3.171 N/A TRP 22.A N PHE 18.A O no hydrogen 2.788 N/A GLU 23.A N LEU 19.A O no hydrogen 2.913 N/A THR 24.A N LYS 20.A O no hydrogen 3.154 N/A SER 26.A N GLN 88.A OE1 no hydrogen 2.927 N/A SER 26.A OG.A GLN 88.A OE1 no hydrogen 3.302 N/A GLN 27.A NE2 THR 338.A O no hydrogen 3.205 N/A GLN 27.A NE2 PHE 340.A OXT no hydrogen 3.087 N/A THR 29.A N SER 101.A O no hydrogen 2.926 N/A THR 29.A OG1 SER 101.A O no hydrogen 3.433 N/A GLN 31.A N GLN 34.A OE1 no hydrogen 3.054 N/A GLN 31.A NE2 ASP 33.A OD1 no hydrogen 2.714 N/A GLN 31.A NE2 ASP 33.A OD2 no hydrogen 3.514 N/A GLN 34.A N GLN 31.A O no hydrogen 3.067 N/A PHE 35.A N LEU 32.A O no hydrogen 3.184 N/A ASP 36.A N LYS 53.A O no hydrogen 2.819 N/A ILE 38.A N LEU 51.A O no hydrogen 2.799 N/A LYS 39.A N LEU 51.A O no hydrogen 3.477 N/A LYS 39.A NZ ASP 320.A OD1 no hydrogen 2.691 N/A THR 40.A N GLU 323.A OE2 no hydrogen 2.816 N/A THR 40.A OG1 GLU 323.A OE1 no hydrogen 2.654 N/A LEU 41.A N VAL 49.A O no hydrogen 2.782 N/A GLY 42.A N VAL 49.A O no hydrogen 3.313 N/A GLY 44.A N GLY 47.A O no hydrogen 3.017 N/A ARG 48.A N ILE 65.A O no hydrogen 3.141 N/A ARG 48.A NH1 THR 40.A OG1 no hydrogen 2.921 N/A ARG 48.A NH1 GLU 322.A O no hydrogen 2.866 N/A VAL 49.A N GLY 42.A O no hydrogen 2.800 N/A MET 50.A N MET 63.A O no hydrogen 2.843 N/A LEU 51.A N LYS 39.A O no hydrogen 2.774 N/A VAL 52.A N TYR 61.A O no hydrogen 2.912 N/A LYS 53.A N ASP 36.A O no hydrogen 2.859 N/A HIS 54.A N ASN 59.A O no hydrogen 2.795 N/A LYS 55.A N GLN 34.A O no hydrogen 2.922 N/A LYS 55.A NZ ASP 33.A O no hydrogen 2.750 N/A GLY 58.A N HIS 54.A O no hydrogen 2.756 N/A ASN 59.A N SER 57.A OG no hydrogen 3.035 N/A ASN 59.A ND2 TYR 61.A OH no hydrogen 3.297 N/A TYR 61.A N VAL 52.A O no hydrogen 2.908 N/A ALA 62.A N MET 112.A O no hydrogen 2.934 N/A MET 63.A N MET 50.A O no hydrogen 2.768 N/A LYS 64.A N MET 110.A O no hydrogen 2.779 N/A LYS 64.A NZ GLU 83.A OE2 no hydrogen 2.719 N/A ILE 65.A N ARG 48.A O no hydrogen 2.786 N/A LEU 66.A N LEU 108.A O no hydrogen 2.857 N/A LYS 68.A N SER 106.A O no hydrogen 2.973 N/A LYS 68.A NZ ASP 104.A O no hydrogen 2.800 N/A LYS 68.A NZ ASN 105.A O no hydrogen 3.240 N/A LYS 68.A NZ LYS 332.A O no hydrogen 2.779 N/A GLN 69.A N ASP 67.A OD1 no hydrogen 2.906 N/A LYS 70.A N ASP 67.A OD1 no hydrogen 3.416 N/A VAL 71.A N ASP 67.A O no hydrogen 2.965 N/A VAL 72.A N LYS 68.A O no hydrogen 3.000 N/A LYS 73.A N GLN 69.A O no hydrogen 2.972 N/A LEU 74.A N LYS 70.A O no hydrogen 2.933 N/A LYS 75.A N VAL 72.A O no hydrogen 2.988 N/A GLN 76.A N VAL 71.A O no hydrogen 2.882 N/A GLN 76.A NE2 LEU 74.A O no hydrogen 2.945 N/A HIS 79.A ND1 GLN 76.A OE1 no hydrogen 2.758 N/A THR 80.A N GLN 76.A O no hydrogen 2.856 N/A THR 80.A OG1 GLN 76.A O no hydrogen 2.781 N/A LEU 81.A N ILE 77.A O no hydrogen 3.038 N/A ASN 82.A N GLU 78.A O no hydrogen 2.845 N/A GLU 83.A N HIS 79.A O no hydrogen 2.855 N/A LYS 84.A N THR 80.A O no hydrogen 3.101 N/A LYS 84.A NZ SER 26.A O no hydrogen 2.733 N/A LYS 84.A NZ GLU 339.A O no hydrogen 3.504 N/A LYS 84.A NZ PHE 340.A O no hydrogen 2.744 N/A ARG 85.A N LEU 81.A O no hydrogen 2.972 N/A ARG 85.A NE TRP 22.A O no hydrogen 2.955 N/A ARG 85.A NH2 TRP 22.A O no hydrogen 2.969 N/A ILE 86.A N ASN 82.A O no hydrogen 2.892 N/A LEU 87.A N GLU 83.A O no hydrogen 2.946 N/A GLN 88.A N LYS 84.A O no hydrogen 3.046 N/A GLN 88.A NE2 LYS 21.A O no hydrogen 2.933 N/A GLN 88.A NE2 ARG 85.A O no hydrogen 2.835 N/A ALA 89.A N ILE 86.A O no hydrogen 2.907 N/A VAL 90.A N ILE 86.A O no hydrogen 3.197 N/A ASN 91.A N TYR 148.A OH no hydrogen 2.911 N/A LEU 95.A N PHE 92.A O no hydrogen 3.128 N/A VAL 96.A N VAL 174.A O no hydrogen 3.008 N/A LYS 97.A NZ ASN 2.A OD1 no hydrogen 2.852 N/A GLU 99.A N VAL 111.A O no hydrogen 2.718 N/A PHE 100.A N VAL 111.A O no hydrogen 3.075 N/A SER 101.A N THR 29.A OG1 no hydrogen 3.035 N/A PHE 102.A N TYR 109.A O no hydrogen 3.114 N/A LYS 103.A NZ PHE 337.A O no hydrogen 2.844 N/A LYS 103.A NZ PHE 340.A OXT no hydrogen 2.826 N/A ASP 104.A N ASN 107.A O no hydrogen 2.968 N/A SER 106.A N ASP 104.A OD1 no hydrogen 2.937 N/A ASN 107.A N ASP 104.A OD1 no hydrogen 2.838 N/A ASN 107.A ND2 TYR 109.A OH no hydrogen 2.932 N/A ASN 107.A ND2 ARG 327.A O no hydrogen 3.387 N/A LEU 108.A N LEU 66.A O no hydrogen 2.801 N/A TYR 109.A N PHE 102.A O no hydrogen 2.837 N/A TYR 109.A OH ASP 104.A OD2 no hydrogen 2.631 N/A MET 110.A N LYS 64.A O no hydrogen 2.964 N/A VAL 111.A N PHE 100.A O no hydrogen 2.844 N/A MET 112.A N ALA 62.A O no hydrogen 2.812 N/A GLU 113.A N LYS 97.A O no hydrogen 2.996 N/A TYR 114.A OH ASP 314.A O no hydrogen 2.652 N/A MET 120.A N LEU 164.A O no hydrogen 2.787 N/A PHE 121.A N PRO 161.A O no hydrogen 3.251 N/A SER 122.A N GLU 119.A O no hydrogen 3.185 N/A SER 122.A OG.A GLU 119.A O no hydrogen 3.049 N/A HIS 123.A NE2 GLY 117.A O no hydrogen 2.716 N/A LEU 124.A N MET 120.A O no hydrogen 2.865 N/A ARG 125.A N PHE 121.A O no hydrogen 2.936 N/A ARG 125.A NH1 GLU 221.A OE2 no hydrogen 3.052 N/A ARG 125.A NH2 GLU 221.A OE2 no hydrogen 2.798 N/A ARG 126.A N SER 122.A O no hydrogen 3.054 N/A ARG 126.A NH2 HIS 123.A ND1 no hydrogen 2.745 N/A ILE 127.A N HIS 123.A O no hydrogen 2.962 N/A GLY 128.A N LEU 124.A O no hydrogen 2.853 N/A PHE 130.A N MET 222.A O no hydrogen 2.808 N/A HIS 134.A N SER 131.A OG no hydrogen 3.100 N/A HIS 134.A NE2.A TYR 138.A OH no hydrogen 2.911 N/A ALA 135.A N SER 131.A O no hydrogen 2.862 N/A ARG 136.A N GLU 132.A O no hydrogen 2.828 N/A ARG 136.A NH1 TRP 287.A O no hydrogen 2.930 N/A PHE 137.A N PRO 133.A O no hydrogen 2.983 N/A TYR 138.A N HIS 134.A O no hydrogen 3.242 N/A TYR 138.A OH HIS 134.A NE2.A no hydrogen 2.911 N/A ALA 139.A N ALA 135.A O no hydrogen 2.823 N/A ALA 140.A N ARG 136.A O no hydrogen 2.882 N/A GLN 141.A NE2 PHE 137.A O no hydrogen 2.978 N/A ILE 142.A N TYR 138.A O no hydrogen 3.247 N/A VAL 143.A N ALA 139.A O no hydrogen 2.883 N/A LEU 144.A N ALA 140.A O no hydrogen 3.051 N/A THR 145.A N GLN 141.A O no hydrogen 2.941 N/A THR 145.A OG1 GLN 141.A O no hydrogen 2.733 N/A PHE 146.A N ILE 142.A O no hydrogen 2.850 N/A GLU 147.A N VAL 143.A O no hydrogen 2.938 N/A TYR 148.A N LEU 144.A O no hydrogen 2.966 N/A LEU 149.A N THR 145.A O no hydrogen 2.818 N/A HIS 150.A N PHE 146.A O no hydrogen 2.784 N/A HIS 150.A NE2 ASP 211.A OD2 no hydrogen 2.857 N/A SER 151.A N GLU 147.A O no hydrogen 3.132 N/A SER 151.A OG TYR 148.A O no hydrogen 2.667 N/A LEU 152.A N LEU 149.A O no hydrogen 2.996 N/A ASP 153.A N HIS 150.A O no hydrogen 2.983 N/A LEU 154.A N LEU 149.A O no hydrogen 3.086 N/A ILE 155.A N LYS 181.A O no hydrogen 2.936 N/A TYR 156.A N ASP 211.A OD2 no hydrogen 2.866 N/A TYR 156.A OH THR 175.A O no hydrogen 2.646 N/A TYR 156.A OH ASP 176.A O no hydrogen 3.190 N/A ARG 157.A N ASP 211.A OD1 no hydrogen 2.875 N/A ARG 157.A NE PHE 179.A O no hydrogen 2.773 N/A ARG 157.A NH1 TYR 206.A OH no hydrogen 2.799 N/A ARG 157.A NH2 PHE 179.A O no hydrogen 2.946 N/A LYS 160.A NZ THR 192.A OG1 no hydrogen 2.764 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.716 N/A ASN 163.A N LYS 160.A O no hydrogen 2.980 N/A ASN 163.A ND2 ASP 158.A O no hydrogen 3.001 N/A ASN 163.A ND2 ASP 158.A OD2 no hydrogen 3.107 N/A LEU 164.A N PRO 161.A O no hydrogen 3.287 N/A LEU 165.A N GLN 173.A O no hydrogen 2.832 N/A ILE 166.A N GLY 118.A O no hydrogen 2.902 N/A ASP 167.A N TYR 171.A O no hydrogen 2.796 N/A GLN 169.A N ASP 167.A OD1 no hydrogen 2.841 N/A GLY 170.A N ASP 167.A O no hydrogen 2.843 N/A TYR 171.A N ASP 167.A OD1 no hydrogen 2.943 N/A TYR 171.A OH VAL 301.A O no hydrogen 2.632 N/A ILE 172.A N GLN 141.A OE1 no hydrogen 2.800 N/A GLN 173.A N LEU 165.A O no hydrogen 2.791 N/A GLN 173.A NE2.A PRO 93.A O no hydrogen 2.744 N/A GLN 173.A NE2.A ILE 172.A O no hydrogen 3.398 N/A GLN 173.A NE2.B PRO 93.A O no hydrogen 2.988 N/A VAL 174.A N PHE 94.A O no hydrogen 2.785 N/A THR 175.A N ASN 163.A O no hydrogen 3.026 N/A GLY 178.A N ASP 176.A OD1 no hydrogen 3.089 N/A ALA 180.A N PHE 177.A O no hydrogen 2.969 N/A LYS 181.A N ILE 155.A O no hydrogen 3.025 N/A ARG 182.A NE LEU 152.A O no hydrogen 2.932 N/A ARG 182.A NH2 ASP 153.A OD2 no hydrogen 2.887 N/A VAL 183.A N ASP 153.A O no hydrogen 2.858 N/A THR 187.A N TYR 206.A O no hydrogen 2.886 N/A THR 192.A OG1 ASP 158.A OD1 no hydrogen 2.760 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.724 N/A ALA 195.A N THR 192.A O no hydrogen 2.900 N/A LEU 196.A N PRO 193.A O no hydrogen 3.254 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.852 N/A ILE 200.A N ALA 197.A O no hydrogen 2.989 N/A ILE 201.A N ALA 197.A O no hydrogen 3.387 N/A LEU 202.A N PRO 198.A O no hydrogen 2.920 N/A SER 203.A N ILE 200.A O no hydrogen 3.119 N/A LYS 204.A N GLU 199.A O no hydrogen 3.233 N/A TYR 206.A N THR 187.A O no hydrogen 2.854 N/A ALA 209.A N ASN 207.A OD1 no hydrogen 2.924 N/A VAL 210.A N ASN 207.A O no hydrogen 3.061 N/A ASP 211.A N LYS 208.A O no hydrogen 2.940 N/A TRP 213.A N ALA 209.A O no hydrogen 3.090 N/A ALA 214.A N VAL 210.A O no hydrogen 2.983 N/A LEU 215.A N ASP 211.A O no hydrogen 2.886 N/A GLY 216.A N TRP 212.A O no hydrogen 3.099 N/A VAL 217.A N TRP 213.A O no hydrogen 3.029 N/A LEU 218.A N ALA 214.A O no hydrogen 2.882 N/A ILE 219.A N LEU 215.A O no hydrogen 2.862 N/A TYR 220.A N GLY 216.A O no hydrogen 2.981 N/A TYR 220.A OH ARG 247.A O no hydrogen 2.634 N/A GLU 221.A N VAL 217.A O no hydrogen 2.858 N/A MET 222.A N LEU 218.A O no hydrogen 2.852 N/A ALA 223.A N ILE 219.A O no hydrogen 3.006 N/A ALA 224.A N TYR 220.A O no hydrogen 2.765 N/A GLY 225.A N GLU 221.A O no hydrogen 2.799 N/A GLN 233.A N GLN 236.A OE1 no hydrogen 3.127 N/A GLN 236.A N GLN 233.A O no hydrogen 2.997 N/A ILE 237.A N GLN 233.A O no hydrogen 3.306 N/A TYR 238.A N PRO 234.A O no hydrogen 2.942 N/A GLU 239.A N ILE 235.A O no hydrogen 3.231 N/A LYS 240.A N GLN 236.A O no hydrogen 3.301 N/A LYS 240.A NZ PHE 230.A O no hydrogen 2.498 N/A ILE 241.A N ILE 237.A O no hydrogen 2.859 N/A VAL 242.A N TYR 238.A O no hydrogen 2.896 N/A SER 243.A N GLU 239.A O no hydrogen 2.831 N/A SER 243.A OG GLU 239.A O no hydrogen 3.412 N/A GLY 244.A N LYS 240.A O no hydrogen 2.744 N/A PHE 252.A N PRO 249.A O no hydrogen 3.142 N/A SER 253.A N GLU 132.A OE2 no hydrogen 2.863 N/A SER 253.A OG GLU 132.A OE1 no hydrogen 2.703 N/A SER 253.A OG GLU 132.A OE2 no hydrogen 3.567 N/A LEU 256.A N SER 253.A OG no hydrogen 2.976 N/A LYS 257.A N SER 253.A O no hydrogen 2.995 N/A ASP 258.A N SER 254.A O no hydrogen 2.972 N/A LEU 259.A N ASP 255.A O no hydrogen 3.006 N/A LEU 260.A N LEU 256.A O no hydrogen 2.901 N/A ARG 261.A N LYS 257.A O no hydrogen 2.908 N/A ASN 262.A N ASP 258.A O no hydrogen 3.188 N/A ASN 262.A N LEU 259.A O no hydrogen 2.999 N/A LEU 263.A N LEU 259.A O no hydrogen 2.991 N/A LEU 263.A N LEU 260.A O no hydrogen 3.227 N/A LEU 264.A N LEU 260.A O no hydrogen 2.778 N/A ASP 267.A N GLN 265.A OE1 no hydrogen 2.930 N/A THR 269.A N ASP 267.A OD1 no hydrogen 2.966 N/A THR 269.A OG1 ASP 267.A OD1 no hydrogen 2.678 N/A THR 269.A OG1 ASP 267.A OD2 no hydrogen 3.366 N/A LYS 270.A N ASP 267.A O no hydrogen 2.861 N/A ARG 271.A NE GLN 265.A O no hydrogen 2.866 N/A ARG 271.A NH1 GLU 199.A OE2 no hydrogen 2.806 N/A ARG 271.A NH1 ALA 209.A O no hydrogen 3.031 N/A ARG 271.A NH2 GLU 199.A OE1 no hydrogen 2.928 N/A ARG 271.A NH2 GLU 199.A OE2 no hydrogen 3.499 N/A ARG 271.A NH2 GLN 265.A O no hydrogen 2.968 N/A PHE 272.A N ASN 262.A O no hydrogen 2.850 N/A ASN 274.A N ARG 271.A O no hydrogen 3.088 N/A GLY 278.A N LEU 275.A O no hydrogen 2.931 N/A ASN 280.A N ASN 277.A O no hydrogen 3.040 N/A ASP 281.A N GLY 278.A O no hydrogen 3.176 N/A ILE 282.A N VAL 279.A O no hydrogen 2.961 N/A LYS 283.A N VAL 279.A O no hydrogen 2.968 N/A LYS 283.A NZ GLU 147.A OE1 no hydrogen 2.720 N/A ASN 284.A N ASN 280.A O no hydrogen 2.903 N/A HIS 285.A N ILE 282.A O no hydrogen 3.056 N/A HIS 285.A NE2 ASP 258.A OD2 no hydrogen 2.756 N/A TRP 287.A N HIS 285.A ND1 no hydrogen 2.901 N/A TRP 287.A NE1 GLU 132.A OE1 no hydrogen 2.905 N/A PHE 288.A N HIS 285.A O no hydrogen 2.903 N/A ALA 289.A N LYS 286.A O no hydrogen 3.017 N/A THR 291.A N PHE 288.A O no hydrogen 2.897 N/A ALA 295.A N ASP 292.A OD1 no hydrogen 3.156 N/A ILE 296.A N ASP 292.A O no hydrogen 2.948 N/A TYR 297.A N TRP 293.A O no hydrogen 3.063 N/A GLN 298.A N ILE 294.A O no hydrogen 2.910 N/A ARG 299.A N ILE 296.A O no hydrogen 2.920 N/A ARG 299.A NH1.B GLY 1.A O no hydrogen 2.950 N/A ARG 299.A NH1.B PRO 93.A O no hydrogen 2.876 N/A ARG 299.A NH2.A ASP 167.A OD2 no hydrogen 2.494 N/A LYS 300.A N ALA 295.A O no hydrogen 2.874 N/A LYS 300.A NZ GLN 298.A OE1 no hydrogen 2.990 N/A LYS 310.A N ASP 314.A OD2 no hydrogen 2.731 N/A ASP 314.A N GLY 311.A O no hydrogen 3.104 N/A SER 316.A N ASP 314.A OD1 no hydrogen 2.815 N/A SER 316.A OG ASP 314.A OD1 no hydrogen 2.822 N/A SER 316.A OG ASP 314.A OD2 no hydrogen 3.373 N/A ASN 317.A ND2 ALA 116.A O no hydrogen 3.186 N/A ASN 317.A ND2 LYS 308.A O no hydrogen 2.968 N/A PHE 318.A N THR 315.A O no hydrogen 2.916 N/A LYS 332.A N ASN 105.A O no hydrogen 2.826 N/A GLU 336.A N GLU 336.A OE1 no hydrogen 2.683 N/A PHE 337.A N CYS 333.A O no hydrogen 3.346 N/A THR 338.A N LYS 335.A O no hydrogen 3.207 N/A THR 338.A OG1 GLY 334.A O no hydrogen 3.269 N/A THR 338.A OG1 LYS 335.A O no hydrogen 2.743 N/A PHE 340.A N PHE 337.A O no hydrogen 2.944 N/A