Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4edr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N SER 1.A OG no hydrogen 3.195 N/A ASP 5.A N SER 1.A O no hydrogen 2.934 N/A LEU 6.A N ASN 2.A O no hydrogen 2.995 N/A GLN 7.A N ALA 3.A O no hydrogen 3.061 N/A MET 8.A N ASP 4.A O no hydrogen 3.007 N/A ILE 9.A N ASP 5.A O no hydrogen 3.002 N/A GLU 10.A N LEU 6.A O no hydrogen 2.901 N/A MET 11.A N GLN 7.A O no hydrogen 3.009 N/A HIS 12.A N MET 8.A O no hydrogen 3.224 N/A HIS 12.A ND1 MET 8.A O no hydrogen 2.794 N/A GLU 13.A N ILE 9.A O no hydrogen 2.911 N/A LEU 14.A N GLU 10.A O no hydrogen 2.830 N/A ILE 15.A N MET 11.A O no hydrogen 3.004 N/A GLN 16.A N HIS 12.A O no hydrogen 3.091 N/A GLN 16.A NE2 GLY 50.A O no hydrogen 2.879 N/A GLU 17.A N LEU 14.A O no hydrogen 3.226 N/A TYR 19.A N ILE 15.A O no hydrogen 2.800 N/A TYR 20.A N GLN 16.A O no hydrogen 2.892 N/A TYR 21.A N GLU 17.A O no hydrogen 3.118 N/A ALA 22.A N PHE 18.A O no hydrogen 2.927 N/A LEU 23.A N TYR 19.A O no hydrogen 3.041 N/A THR 24.A N TYR 20.A O no hydrogen 3.068 N/A THR 24.A OG1 TYR 20.A O no hydrogen 2.784 N/A LYS 25.A N TYR 21.A O no hydrogen 2.916 N/A THR 26.A OG1 ALA 22.A O no hydrogen 2.451 N/A GLU 30.A N VAL 27.A O no hydrogen 3.165 N/A LEU 33.A N GLY 29.A O no hydrogen 2.931 N/A THR 34.A N GLU 30.A O no hydrogen 3.027 N/A THR 34.A OG1 GLU 30.A O no hydrogen 3.042 N/A TYR 35.A N GLN 31.A O no hydrogen 2.958 N/A LEU 36.A N ALA 32.A O no hydrogen 3.138 N/A GLN 37.A N LEU 33.A O no hydrogen 2.962 N/A GLU 38.A N THR 34.A O no hydrogen 2.887 N/A ARG 39.A N TYR 35.A O no hydrogen 3.201 N/A ARG 39.A N LEU 36.A O no hydrogen 2.939 N/A ARG 39.A NH1 TYR 35.A OH no hydrogen 3.019 N/A ARG 39.A NH2 ASP 238.A OD2 no hydrogen 2.624 N/A GLY 40.A N GLN 37.A O no hydrogen 3.017 N/A PHE 41.A N LEU 36.A O no hydrogen 3.049 N/A LEU 45.A N THR 42.A OG1 no hydrogen 3.141 N/A ILE 46.A N THR 42.A O no hydrogen 3.076 N/A LYS 47.A N ASP 43.A O no hydrogen 3.022 N/A GLU 48.A N ALA 44.A O no hydrogen 2.819 N/A ARG 49.A N LEU 45.A O no hydrogen 2.953 N/A ARG 49.A NH1 ASN 141.A OD1 no hydrogen 2.903 N/A ARG 49.A NH2 ASN 141.A OD1 no hydrogen 2.933 N/A GLY 50.A N LYS 47.A O no hydrogen 3.106 N/A ILE 51.A N ILE 46.A O no hydrogen 3.002 N/A GLY 52.A N MET 99.A O no hydrogen 2.860 N/A PHE 53.A N TYR 19.A O no hydrogen 2.860 N/A ALA 54.A N ARG 97.A O no hydrogen 2.919 N/A ASP 56.A N GLU 28.A OE1 no hydrogen 2.920 N/A SER 58.A OG SER 57.A O no hydrogen 2.460 N/A HIS 59.A N SER 57.A OG no hydrogen 3.254 N/A HIS 59.A ND1 ASP 63.A OD2 no hydrogen 2.676 N/A CYS 61.A N ASP 92.A OD2 no hydrogen 2.724 N/A HIS 62.A N ASP 92.A OD1 no hydrogen 2.965 N/A HIS 62.A ND1 ASP 63.A OD1 no hydrogen 3.057 N/A ASP 63.A N HIS 59.A O no hydrogen 2.967 N/A PHE 64.A N PHE 60.A O no hydrogen 3.311 N/A LEU 65.A N CYS 61.A O no hydrogen 2.965 N/A GLN 66.A N HIS 62.A O no hydrogen 2.917 N/A LYS 67.A N ASP 63.A O no hydrogen 2.832 N/A LYS 68.A N PHE 64.A O no hydrogen 2.953 N/A GLY 69.A N GLN 66.A O no hydrogen 3.101 N/A TYR 70.A N LEU 65.A O no hydrogen 2.962 N/A TYR 70.A OH GLU 10.A OE1 no hydrogen 2.922 N/A LEU 74.A N ASP 71.A OD2 no hydrogen 2.963 N/A ALA 75.A N ASP 71.A O no hydrogen 3.065 N/A TYR 76.A N ILE 72.A O no hydrogen 2.985 N/A GLU 77.A N GLU 73.A O no hydrogen 2.913 N/A ALA 78.A N LEU 74.A O no hydrogen 2.798 N/A GLY 79.A N TYR 76.A O no hydrogen 2.973 N/A LEU 80.A N ALA 75.A O no hydrogen 3.086 N/A LEU 81.A N ALA 75.A O no hydrogen 3.410 N/A SER 82.A N TYR 91.A O no hydrogen 2.690 N/A ARG 83.A NE GLU 85.A OE1 no hydrogen 3.203 N/A ARG 83.A NH1 TYR 90.A OH no hydrogen 3.339 N/A ASN 84.A N SER 89.A O no hydrogen 2.789 N/A GLU 86.A N ASN 84.A OD1 no hydrogen 2.996 N/A SER 89.A N ASN 87.A OD1 no hydrogen 3.097 N/A SER 89.A OG ASN 87.A OD1 no hydrogen 2.618 N/A TYR 91.A N SER 82.A O no hydrogen 3.005 N/A ASP 92.A N SER 58.A O no hydrogen 2.819 N/A ARG 93.A N LEU 80.A O no hydrogen 3.250 N/A ARG 93.A NE ASN 126.A O no hydrogen 3.094 N/A ARG 93.A NH2 ASN 126.A O no hydrogen 2.795 N/A ARG 95.A NH1 ASP 92.A O no hydrogen 2.752 N/A ASN 96.A N PRO 55.A O no hydrogen 3.353 N/A ARG 97.A N ALA 54.A O no hydrogen 3.374 N/A ARG 97.A NH1 GLY 114.A O no hydrogen 2.788 N/A ARG 97.A NH1 PRO 122.A O no hydrogen 3.000 N/A ARG 97.A NH1 LYS 123.A O no hydrogen 3.237 N/A ARG 97.A NH2 PRO 122.A O no hydrogen 2.831 N/A ILE 98.A N ARG 115.A O no hydrogen 2.789 N/A MET 99.A N GLY 52.A O no hydrogen 2.741 N/A PHE 100.A N SER 113.A O no hydrogen 2.900 N/A LEU 102.A N GLY 111.A O no hydrogen 2.813 N/A ASN 104.A N ARG 108.A O no hydrogen 2.800 N/A GLN 106.A N ASN 104.A OD1 no hydrogen 2.956 N/A GLY 107.A N ASN 104.A O no hydrogen 2.947 N/A ARG 108.A N ASN 104.A OD1 no hydrogen 2.899 N/A ARG 108.A NE GLU 13.A OE2 no hydrogen 2.945 N/A ARG 108.A NH2 GLU 13.A OE1 no hydrogen 2.967 N/A ILE 109.A N GLU 13.A OE2 no hydrogen 3.194 N/A VAL 110.A N LEU 102.A O no hydrogen 2.921 N/A GLY 111.A N LEU 102.A O no hydrogen 3.355 N/A TYR 112.A N SER 127.A OG no hydrogen 2.772 N/A TYR 112.A OH HIS 12.A O no hydrogen 2.651 N/A SER 113.A N PHE 100.A O no hydrogen 2.991 N/A SER 113.A OG ASN 126.A OD1 no hydrogen 2.711 N/A GLY 114.A N LEU 125.A O no hydrogen 2.668 N/A ARG 115.A N ILE 98.A O no hydrogen 2.894 N/A ARG 115.A NH1 THR 116.A O no hydrogen 2.731 N/A THR 116.A N LYS 123.A O no hydrogen 2.890 N/A TYR 117.A OH ASN 96.A OD1 no hydrogen 2.619 N/A THR 118.A N THR 116.A OG1 no hydrogen 3.149 N/A GLN 120.A N THR 116.A OG1 no hydrogen 3.005 N/A LEU 125.A N GLY 114.A O no hydrogen 2.781 N/A SER 127.A N TYR 112.A O no hydrogen 2.913 N/A SER 127.A OG TYR 112.A O no hydrogen 3.439 N/A THR 130.A N PHE 133.A O no hydrogen 2.883 N/A ILE 132.A N THR 130.A OG1 no hydrogen 3.216 N/A PHE 133.A N THR 130.A OG1 no hydrogen 2.786 N/A LYS 135.A N GLU 129.A OE2 no hydrogen 2.915 N/A LYS 135.A NZ GLU 129.A OE2 no hydrogen 2.782 N/A LYS 137.A N GLN 134.A O no hydrogen 2.958 N/A LEU 138.A N GLN 134.A O no hydrogen 2.894 N/A TYR 140.A N ALA 177.A O no hydrogen 2.775 N/A ASN 141.A ND2 VAL 175.A O no hydrogen 3.102 N/A LEU 142.A N LEU 139.A O no hydrogen 3.224 N/A LYS 144.A NZ ASP 168.A OD1 no hydrogen 2.848 N/A LYS 144.A NZ ASP 168.A OD2 no hydrogen 3.013 N/A ALA 145.A N ASN 141.A O no hydrogen 2.792 N/A ARG 146.A N LEU 142.A O no hydrogen 2.899 N/A ARG 146.A NH1 ASP 143.A OD1 no hydrogen 2.964 N/A ARG 146.A NH2 ALA 105.A O no hydrogen 2.748 N/A SER 148.A OG ALA 145.A O no hydrogen 2.868 N/A ILE 149.A N ALA 145.A O no hydrogen 2.894 N/A ARG 150.A N ARG 146.A O no hydrogen 3.033 N/A LYS 151.A N LYS 147.A O no hydrogen 2.976 N/A LEU 152.A N SER 148.A O no hydrogen 2.754 N/A ASP 153.A N ARG 150.A O no hydrogen 3.367 N/A GLU 154.A N ILE 149.A O no hydrogen 3.145 N/A ILE 155.A N ASN 197.A O no hydrogen 2.964 N/A VAL 156.A N ASN 174.A O no hydrogen 2.829 N/A LEU 157.A N THR 199.A O no hydrogen 2.796 N/A LEU 158.A N VAL 176.A O no hydrogen 2.913 N/A VAL 164.A N GLY 160.A O no hydrogen 3.146 N/A ILE 165.A N PHE 161.A O no hydrogen 2.878 N/A LYS 166.A N MET 162.A O no hydrogen 3.088 N/A LYS 166.A NZ ARG 39.A O no hydrogen 2.659 N/A LYS 166.A NZ ASP 238.A OD1 no hydrogen 2.809 N/A SER 167.A N ASP 163.A O no hydrogen 2.806 N/A SER 167.A OG.A ASP 163.A O no hydrogen 2.682 N/A SER 167.A OG.B LEU 172.A O no hydrogen 3.278 N/A ASP 168.A N VAL 164.A O no hydrogen 2.883 N/A THR 169.A N ILE 165.A O no hydrogen 3.089 N/A THR 169.A OG1 ILE 165.A O no hydrogen 3.118 N/A ALA 170.A N LYS 166.A O no hydrogen 2.886 N/A GLY 171.A N SER 167.A O no hydrogen 3.088 N/A GLY 171.A N ASP 168.A O no hydrogen 3.088 N/A LEU 172.A N SER 167.A O no hydrogen 2.885 N/A LYS 173.A NZ ASP 168.A O no hydrogen 2.692 N/A LYS 173.A NZ ASP 168.A OD2 no hydrogen 3.160 N/A ASN 174.A N ASN 174.A OD1 no hydrogen 2.639 N/A ASN 174.A ND2 GLU 154.A O no hydrogen 2.914 N/A VAL 176.A N VAL 156.A O no hydrogen 2.982 N/A THR 178.A OG1 THR 181.A O no hydrogen 2.592 N/A THR 181.A N THR 178.A OG1 no hydrogen 3.179 N/A SER 184.A N HIS 187.A ND1 no hydrogen 3.116 N/A SER 184.A OG ARG 136.A O no hydrogen 2.488 N/A SER 184.A OG GLU 186.A OE1 no hydrogen 3.186 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.723 N/A HIS 187.A N SER 184.A OG no hydrogen 2.992 N/A HIS 187.A NE2 LEU 138.A O no hydrogen 3.101 N/A ILE 188.A N SER 184.A O no hydrogen 3.102 N/A THR 189.A N ASP 185.A O no hydrogen 3.012 N/A THR 189.A OG1 ASP 185.A O no hydrogen 3.117 N/A PHE 190.A N GLU 186.A O no hydrogen 2.976 N/A ILE 191.A N HIS 187.A O no hydrogen 2.842 N/A ARG 192.A N ILE 188.A O no hydrogen 3.032 N/A ARG 192.A NH1 GLN 222.A O no hydrogen 3.134 N/A ARG 192.A NH2 GLN 222.A O no hydrogen 2.807 N/A LYS 193.A N PHE 190.A O no hydrogen 3.313 N/A LYS 193.A NZ THR 189.A O no hydrogen 2.845 N/A LEU 194.A N ILE 191.A O no hydrogen 2.839 N/A THR 195.A N ILE 191.A O no hydrogen 2.987 N/A THR 195.A OG1 ASP 153.A OD1 no hydrogen 2.892 N/A THR 195.A OG1 ASN 197.A O no hydrogen 3.570 N/A ASN 197.A N THR 195.A OG1 no hydrogen 2.960 N/A ASN 197.A ND2 ASP 153.A O no hydrogen 2.910 N/A ILE 198.A N ASN 225.A O no hydrogen 2.889 N/A THR 199.A N ILE 155.A O no hydrogen 2.816 N/A THR 199.A OG1 GLU 154.A OE2 no hydrogen 2.516 N/A LEU 200.A N PHE 227.A O no hydrogen 2.776 N/A MET 201.A N LEU 157.A O no hydrogen 2.982 N/A ASP 203.A N GLU 159.A OE1 no hydrogen 2.803 N/A GLY 204.A N MET 235.A O no hydrogen 2.706 N/A GLY 208.A N ASP 205.A OD1 no hydrogen 2.830 N/A SER 209.A N ASP 205.A O no hydrogen 2.898 N/A SER 209.A OG TYR 263.A OH no hydrogen 2.944 N/A GLU 210.A N PHE 206.A O no hydrogen 2.884 N/A ALA 211.A N ALA 207.A O no hydrogen 2.953 N/A THR 212.A N GLY 208.A O no hydrogen 2.908 N/A THR 212.A OG1 GLY 208.A O no hydrogen 2.691 N/A LEU 213.A N SER 209.A O no hydrogen 2.988 N/A LYS 214.A N GLU 210.A O no hydrogen 3.056 N/A THR 215.A N ALA 211.A O no hydrogen 2.806 N/A THR 215.A OG1 ALA 211.A O no hydrogen 2.793 N/A GLY 216.A N THR 212.A O no hydrogen 2.792 N/A GLN 217.A N LEU 213.A O no hydrogen 2.983 N/A GLN 217.A NE2 ASP 289.A OD1 no hydrogen 2.780 N/A HIS 218.A N LYS 214.A O no hydrogen 3.256 N/A LEU 219.A N THR 215.A O no hydrogen 2.947 N/A LEU 220.A N GLY 216.A O no hydrogen 2.933 N/A GLN 221.A N GLN 217.A O no hydrogen 3.078 N/A GLN 222.A N HIS 218.A O no hydrogen 3.100 N/A GLN 222.A N LEU 219.A O no hydrogen 3.079 N/A GLY 223.A N LEU 220.A O no hydrogen 3.131 N/A LEU 224.A N LEU 219.A O no hydrogen 3.064 N/A ASN 225.A N SER 196.A O no hydrogen 2.679 N/A ASN 225.A ND2 ASN 197.A OD1 no hydrogen 2.976 N/A PHE 227.A N ILE 198.A O no hydrogen 2.871 N/A VAL 228.A N LYS 258.A O no hydrogen 2.714 N/A ILE 229.A N LEU 200.A O no hydrogen 2.998 N/A GLY 234.A N GLY 204.A O no hydrogen 2.655 N/A MET 235.A N PRO 232.A O no hydrogen 3.164 N/A ASP 236.A N GLU 239.A OE1 no hydrogen 3.026 N/A ASP 238.A N ASP 163.A OD1 no hydrogen 3.006 N/A GLU 239.A N ASP 236.A OD1 no hydrogen 2.860 N/A TYR 240.A N ASP 236.A O no hydrogen 2.971 N/A ILE 241.A N PRO 237.A O no hydrogen 2.932 N/A GLY 242.A N ASP 238.A O no hydrogen 3.004 N/A LYS 243.A N GLU 239.A O no hydrogen 3.110 N/A LYS 243.A N TYR 240.A O no hydrogen 3.280 N/A TYR 244.A N TYR 240.A O no hydrogen 2.893 N/A GLY 245.A N ILE 241.A O no hydrogen 2.804 N/A PHE 249.A N GLY 245.A O no hydrogen 3.165 N/A THR 250.A N ASN 246.A O no hydrogen 2.989 N/A THR 250.A OG1 ASN 246.A O no hydrogen 3.166 N/A THR 250.A OG1 ASP 247.A O no hydrogen 3.150 N/A THR 251.A N ASP 247.A O no hydrogen 3.047 N/A THR 251.A OG1 ASP 247.A O no hydrogen 2.843 N/A PHE 252.A N ALA 248.A O no hydrogen 2.947 N/A VAL 253.A N PHE 249.A O no hydrogen 2.942 N/A ASN 255.A N PHE 252.A O no hydrogen 3.036 N/A LYS 257.A NZ GLU 154.A OE1 no hydrogen 3.428 N/A LYS 257.A NZ GLU 154.A OE2 no hydrogen 2.793 N/A LYS 258.A N VAL 228.A O no hydrogen 3.126 N/A PHE 260.A N VAL 226.A O no hydrogen 2.909 N/A HIS 262.A N SER 259.A O no hydrogen 3.023 N/A TYR 263.A N SER 259.A O no hydrogen 3.158 N/A LYS 264.A N PHE 260.A O no hydrogen 2.837 N/A LYS 264.A NZ GLN 217.A OE1 no hydrogen 2.961 N/A LYS 264.A NZ GLU 285.A OE1 no hydrogen 3.057 N/A LYS 264.A NZ ASP 289.A OD2 no hydrogen 2.715 N/A VAL 265.A N ALA 261.A O no hydrogen 3.153 N/A SER 266.A N HIS 262.A O no hydrogen 3.171 N/A SER 266.A OG HIS 262.A O no hydrogen 3.373 N/A SER 266.A OG TYR 263.A O no hydrogen 2.429 N/A ILE 267.A N TYR 263.A O no hydrogen 3.079 N/A LEU 268.A N LYS 264.A O no hydrogen 3.163 N/A ILE 272.A N LEU 268.A O no hydrogen 3.025 N/A ALA 273.A N LYS 269.A O no hydrogen 3.127 N/A HIS 274.A N GLU 271.A O no hydrogen 3.343 N/A HIS 274.A ND1 ASP 270.A O no hydrogen 3.014 N/A ASN 275.A N GLU 271.A O no hydrogen 2.779 N/A SER 278.A N ASN 275.A OD1 no hydrogen 3.054 N/A SER 278.A OG GLU 271.A OE2 no hydrogen 2.613 N/A TYR 279.A N ASN 275.A O no hydrogen 2.789 N/A TYR 279.A OH PHE 310.A O no hydrogen 2.528 N/A GLU 280.A N ASP 276.A O no hydrogen 3.174 N/A ARG 281.A N LEU 277.A O no hydrogen 3.126 N/A TYR 282.A N SER 278.A O no hydrogen 2.821 N/A LEU 283.A N TYR 279.A O no hydrogen 2.937 N/A LYS 284.A N GLU 280.A O no hydrogen 3.109 N/A GLU 285.A N ARG 281.A O no hydrogen 2.955 N/A LEU 286.A N TYR 282.A O no hydrogen 2.842 N/A SER 287.A N LEU 283.A O no hydrogen 2.991 N/A SER 287.A OG LEU 283.A O no hydrogen 2.668 N/A HIS 288.A N LYS 284.A O no hydrogen 2.946 N/A ASP 289.A N GLU 285.A O no hydrogen 2.742 N/A ILE 290.A N LEU 286.A O no hydrogen 2.917 N/A SER 291.A N SER 287.A O no hydrogen 3.088 N/A SER 291.A OG HIS 288.A O no hydrogen 2.544 N/A LEU 292.A N HIS 288.A O no hydrogen 3.241 N/A LEU 292.A N ASP 289.A O no hydrogen 3.111 N/A MET 293.A N ILE 290.A O no hydrogen 3.083 N/A LEU 298.A N SER 295.A OG no hydrogen 3.165 N/A GLN 299.A N SER 295.A O no hydrogen 2.809 N/A GLN 299.A NE2 ILE 290.A O no hydrogen 2.901 N/A GLN 300.A N SER 296.A O no hydrogen 3.142 N/A LYS 301.A N ILE 297.A O no hydrogen 3.191 N/A LYS 301.A NZ ASP 305.A OD2 no hydrogen 2.574 N/A ALA 302.A N LEU 298.A O no hydrogen 2.887 N/A ILE 303.A N GLN 299.A O no hydrogen 3.149 N/A ASN 304.A N GLN 300.A O no hydrogen 3.192 N/A ASP 305.A N LYS 301.A O no hydrogen 2.857 N/A VAL 306.A N ALA 302.A O no hydrogen 2.773 N/A ALA 307.A N ILE 303.A O no hydrogen 3.107 N/A PHE 309.A N VAL 306.A O no hydrogen 2.949 N/A PHE 310.A N ALA 307.A O no hydrogen 3.008 N/A ASN 311.A N PRO 308.A O no hydrogen 3.111 N/A VAL 312.A N ALA 307.A O no hydrogen 3.267 N/A SER 313.A N GLN 316.A OE1 no hydrogen 2.858 N/A SER 313.A OG GLU 315.A OE1 no hydrogen 3.109 N/A SER 313.A OG GLN 316.A OE1 no hydrogen 3.462 N/A GLN 316.A N SER 313.A OG no hydrogen 3.010 N/A LEU 317.A N SER 313.A O no hydrogen 2.992 N/A ALA 318.A N PRO 314.A O no hydrogen 2.890 N/A ASN 319.A N GLU 315.A O no hydrogen 3.035 N/A GLU 320.A N GLN 316.A O no hydrogen 3.210 N/A ILE 321.A N LEU 317.A O no hydrogen 3.133 N/A