Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dfd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N LEU 26.A O no hydrogen 3.314 N/A LYS 3.A N ASP 71.A OD2 no hydrogen 2.687 N/A VAL 4.A N ARG 29.A O no hydrogen 2.948 N/A ALA 5.A N VAL 72.A O no hydrogen 2.781 N/A VAL 6.A N THR 31.A O no hydrogen 2.915 N/A LEU 7.A N VAL 74.A O no hydrogen 2.848 N/A GLY 8.A N TYR 33.A O no hydrogen 2.886 N/A ALA 9.A N TYR 33.A O no hydrogen 2.960 N/A SER 10.A N ASP 34.A OD2 no hydrogen 2.947 N/A SER 10.A OG ALA 36.A O no hydrogen 2.772 N/A GLY 11.A N GLY 8.A O no hydrogen 3.242 N/A GLN 15.A N GLY 11.A O no hydrogen 3.040 N/A GLN 15.A NE2 SER 10.A O no hydrogen 2.966 N/A LEU 17.A N ILE 13.A O no hydrogen 2.852 N/A SER 18.A N GLY 14.A O no hydrogen 2.872 N/A SER 18.A OG GLY 14.A O no hydrogen 2.575 N/A LEU 19.A N GLN 15.A O no hydrogen 2.984 N/A LEU 20.A N PRO 16.A O no hydrogen 3.043 N/A LEU 21.A N LEU 17.A O no hydrogen 3.005 N/A LYS 22.A N SER 18.A O no hydrogen 2.814 N/A LYS 22.A NZ ILE 48.A O no hydrogen 3.280 N/A LYS 22.A NZ THR 50.A O no hydrogen 2.865 N/A LYS 22.A NZ THR 50.A OG1 no hydrogen 3.129 N/A LYS 22.A NZ ALA 52.A O no hydrogen 2.568 N/A ASN 23.A N LEU 19.A O no hydrogen 2.835 N/A SER 24.A N LEU 21.A O no hydrogen 3.052 N/A LEU 26.A N SER 24.A OG no hydrogen 3.006 N/A VAL 27.A N SER 24.A O no hydrogen 3.192 N/A SER 28.A N ALA 2.A O no hydrogen 2.911 N/A SER 28.A OG ALA 2.A O no hydrogen 3.082 N/A ARG 29.A N ALA 2.A O no hydrogen 3.428 N/A ARG 29.A NH1 LYS 68.A O no hydrogen 2.858 N/A ARG 29.A NH2 LYS 68.A O no hydrogen 3.518 N/A LEU 30.A N ALA 53.A O no hydrogen 2.786 N/A THR 31.A N VAL 4.A O no hydrogen 2.958 N/A THR 31.A OG1 CYS 66.A O no hydrogen 2.703 N/A LEU 32.A N LYS 55.A O no hydrogen 2.830 N/A TYR 33.A N VAL 6.A O no hydrogen 2.864 N/A ASP 34.A N TYR 57.A O no hydrogen 3.275 N/A ILE 35.A N ASP 34.A OD1 no hydrogen 2.750 N/A ALA 36.A N ASP 34.A OD1 no hydrogen 3.264 N/A THR 38.A OG1 TYR 57.A O no hydrogen 2.779 N/A VAL 41.A N HIS 37.A O no hydrogen 3.328 N/A ALA 42.A N THR 38.A O no hydrogen 2.927 N/A ALA 43.A N PRO 39.A O no hydrogen 2.955 N/A ASP 44.A N GLY 40.A O no hydrogen 3.063 N/A LEU 45.A N VAL 41.A O no hydrogen 3.027 N/A SER 46.A N ALA 42.A O no hydrogen 2.807 N/A SER 46.A OG ALA 43.A O no hydrogen 2.700 N/A HIS 47.A N ASP 44.A O no hydrogen 3.140 N/A ILE 48.A N LEU 45.A O no hydrogen 3.069 N/A THR 50.A N ILE 48.A O no hydrogen 2.863 N/A THR 50.A OG1 LYS 22.A O no hydrogen 2.780 N/A ALA 53.A N SER 28.A O no hydrogen 3.033 N/A LYS 55.A N LEU 30.A O no hydrogen 3.026 N/A TYR 57.A N LEU 32.A O no hydrogen 2.729 N/A LEU 58.A N GLN 62.A OE1 no hydrogen 2.867 N/A GLY 59.A N ASP 34.A O no hydrogen 3.082 N/A GLN 62.A N GLY 59.A O no hydrogen 2.860 N/A LEU 63.A N PRO 60.A O no hydrogen 3.241 N/A CYS 66.A N GLN 62.A O no hydrogen 3.276 N/A CYS 66.A SG THR 31.A OG1 no hydrogen 3.580 N/A LEU 67.A N LEU 63.A O no hydrogen 3.232 N/A LEU 67.A N PRO 64.A O no hydrogen 3.079 N/A LYS 68.A N PRO 64.A O no hydrogen 3.097 N/A LYS 68.A NZ ASP 65.A OD1 no hydrogen 3.183 N/A CYS 70.A N LEU 67.A O no hydrogen 2.989 N/A CYS 70.A SG THR 31.A OG1 no hydrogen 3.665 N/A CYS 70.A SG CYS 66.A O no hydrogen 3.319 N/A CYS 70.A SG LEU 67.A O no hydrogen 3.297 N/A ASP 71.A N LYS 3.A O no hydrogen 2.728 N/A VAL 72.A N LYS 3.A O no hydrogen 3.113 N/A VAL 73.A N MET 113.A O no hydrogen 2.782 N/A VAL 74.A N ALA 5.A O no hydrogen 2.852 N/A ILE 75.A N CYS 115.A O no hydrogen 2.847 N/A ALA 77.A N LEU 7.A O no hydrogen 2.946 N/A VAL 79.A N ASN 94.A OD1 no hydrogen 2.795 N/A ARG 81.A NH1 MET 85.A O no hydrogen 2.890 N/A ARG 81.A NH1 THR 212.A OG1 no hydrogen 3.238 N/A ARG 81.A NH2 THR 212.A OG1 no hydrogen 2.991 N/A LYS 82.A NZ GLY 220.A O no hydrogen 3.127 N/A MET 85.A N LYS 82.A O no hydrogen 3.022 N/A THR 86.A N ASP 89.A OD2 no hydrogen 2.902 N/A ASP 89.A N THR 86.A O no hydrogen 3.137 N/A ASP 89.A N THR 86.A OG1 no hydrogen 3.022 N/A LEU 90.A N ARG 87.A O no hydrogen 3.013 N/A PHE 91.A N ASP 88.A O no hydrogen 2.935 N/A THR 93.A N LEU 90.A O no hydrogen 3.271 N/A ASN 94.A N LEU 90.A O no hydrogen 2.943 N/A ASN 94.A ND2 VAL 79.A O no hydrogen 2.968 N/A ASN 94.A ND2 ASN 119.A O no hydrogen 2.903 N/A ALA 95.A N PHE 91.A O no hydrogen 2.735 N/A THR 96.A OG1.A THR 93.A O no hydrogen 2.682 N/A VAL 98.A N ASN 94.A O no hydrogen 2.966 N/A ALA 99.A N ALA 95.A O no hydrogen 2.846 N/A THR 100.A N THR 96.A O no hydrogen 2.932 N/A THR 100.A OG1 THR 96.A O no hydrogen 2.851 N/A LEU 101.A N ILE 97.A O no hydrogen 2.914 N/A THR 102.A N VAL 98.A O no hydrogen 2.836 N/A THR 102.A OG1 VAL 98.A O no hydrogen 2.762 N/A THR 102.A OG1 ALA 99.A O no hydrogen 3.477 N/A ALA 103.A N ALA 99.A O no hydrogen 3.078 N/A ALA 104.A N THR 100.A O no hydrogen 3.290 N/A CYS 105.A N LEU 101.A O no hydrogen 3.079 N/A CYS 105.A SG LEU 101.A O no hydrogen 3.536 N/A ALA 106.A N THR 102.A O no hydrogen 2.816 N/A GLN 107.A N ALA 103.A O no hydrogen 3.012 N/A GLN 107.A NE2 ALA 103.A O no hydrogen 3.187 N/A GLN 107.A NE2 HIS 135.A NE2 no hydrogen 3.362 N/A HIS 108.A N ALA 104.A O no hydrogen 2.791 N/A HIS 108.A N CYS 105.A O no hydrogen 3.267 N/A CYS 109.A N CYS 105.A O no hydrogen 2.812 N/A CYS 109.A SG CYS 105.A O no hydrogen 3.839 N/A ALA 112.A N CYS 109.A O no hydrogen 3.085 N/A MET 113.A N ASP 71.A O no hydrogen 2.924 N/A ILE 114.A N LYS 142.A O no hydrogen 2.798 N/A CYS 115.A N VAL 73.A O no hydrogen 2.870 N/A VAL 116.A N PHE 144.A O no hydrogen 2.809 N/A ILE 117.A N ILE 75.A O no hydrogen 3.016 N/A ALA 118.A N ILE 75.A O no hydrogen 3.079 N/A VAL 121.A N ASN 119.A OD1 no hydrogen 3.214 N/A ASN 122.A ND2 THR 181.A OG1 no hydrogen 3.201 N/A SER 123.A N PRO 120.A O no hydrogen 2.913 N/A SER 123.A OG SER 303.A O no hydrogen 2.716 N/A THR 124.A N PRO 120.A O no hydrogen 2.956 N/A THR 124.A OG1 ALA 118.A O no hydrogen 2.951 N/A THR 124.A OG1 PRO 120.A O no hydrogen 3.378 N/A ILE 125.A N VAL 121.A O no hydrogen 3.265 N/A ILE 127.A N SER 123.A O no hydrogen 3.117 N/A THR 128.A N THR 124.A O no hydrogen 3.056 N/A THR 128.A OG1 THR 124.A O no hydrogen 2.799 N/A ALA 129.A N ILE 125.A O no hydrogen 2.985 N/A GLU 130.A N PRO 126.A O no hydrogen 3.092 N/A VAL 131.A N ILE 127.A O no hydrogen 2.831 N/A PHE 132.A N THR 128.A O no hydrogen 2.956 N/A LYS 133.A N ALA 129.A O no hydrogen 2.909 N/A LYS 133.A NZ GLU 130.A OE2 no hydrogen 2.934 N/A LYS 134.A N GLU 130.A O no hydrogen 3.046 N/A HIS 135.A N VAL 131.A O no hydrogen 3.170 N/A HIS 135.A N PHE 132.A O no hydrogen 3.051 N/A HIS 135.A ND1 VAL 131.A O no hydrogen 2.851 N/A GLY 136.A N LYS 133.A O no hydrogen 3.054 N/A VAL 137.A N PHE 132.A O no hydrogen 3.097 N/A ASN 141.A N ASN 139.A OD1 no hydrogen 2.964 N/A LYS 142.A N ASN 139.A O no hydrogen 3.134 N/A LYS 142.A NZ GLU 111.A O no hydrogen 2.843 N/A LYS 142.A NZ GLU 111.A OE1 no hydrogen 3.004 N/A PHE 144.A N ILE 114.A O no hydrogen 2.786 N/A GLY 145.A N PHE 254.A O no hydrogen 2.791 N/A VAL 146.A N VAL 116.A O no hydrogen 2.934 N/A THR 147.A OG1 CYS 252.A O no hydrogen 3.435 N/A ASP 150.A N THR 147.A O no hydrogen 2.831 N/A VAL 152.A N THR 148.A O no hydrogen 2.908 N/A ARG 153.A N LEU 149.A O no hydrogen 2.935 N/A ALA 154.A N ASP 150.A O no hydrogen 2.993 N/A ASN 155.A N ILE 151.A O no hydrogen 2.846 N/A THR 156.A N VAL 152.A O no hydrogen 3.033 N/A THR 156.A OG1 VAL 152.A O no hydrogen 2.971 N/A PHE 157.A N ARG 153.A O no hydrogen 2.898 N/A VAL 158.A N ALA 154.A O no hydrogen 2.933 N/A ALA 159.A N ASN 155.A O no hydrogen 2.961 N/A GLU 160.A N THR 156.A O no hydrogen 3.056 N/A LEU 161.A N PHE 157.A O no hydrogen 3.169 N/A LYS 162.A N VAL 158.A O no hydrogen 3.120 N/A LYS 162.A NZ ASP 194.A O no hydrogen 2.554 N/A LEU 164.A N ALA 159.A O no hydrogen 2.830 N/A ALA 167.A N ASP 165.A OD1 no hydrogen 2.987 N/A ARG 168.A N ASP 165.A O no hydrogen 2.805 N/A VAL 169.A N PRO 166.A O no hydrogen 3.255 N/A ASN 170.A N THR 190.A O no hydrogen 2.868 N/A VAL 171.A N ASN 155.A OD1 no hydrogen 2.795 N/A ILE 174.A N ILE 183.A O no hydrogen 2.904 N/A GLY 175.A N SER 266.A O no hydrogen 3.030 N/A GLY 176.A N THR 181.A O no hydrogen 2.787 N/A HIS 177.A N ASN 122.A OD1 no hydrogen 2.747 N/A HIS 177.A ND1 ASP 150.A OD2 no hydrogen 2.728 N/A ALA 178.A N THR 181.A OG1 no hydrogen 2.986 N/A THR 181.A N ALA 178.A O no hydrogen 2.779 N/A THR 181.A OG1 ALA 178.A O no hydrogen 2.570 N/A ILE 182.A N GLY 179.A O no hydrogen 3.070 N/A ILE 183.A N ILE 174.A O no hydrogen 2.955 N/A LEU 185.A N PRO 172.A O no hydrogen 2.744 N/A SER 187.A N GLU 289.A OE2 no hydrogen 2.913 N/A SER 187.A OG GLU 289.A OE1 no hydrogen 2.629 N/A SER 187.A OG GLU 289.A OE2 no hydrogen 3.158 N/A GLN 188.A N LEU 185.A O no hydrogen 2.945 N/A GLN 188.A NE2 ILE 282.A O no hydrogen 2.882 N/A GLN 188.A NE2 LYS 284.A O no hydrogen 2.910 N/A CYS 189.A N ILE 186.A O no hydrogen 3.100 N/A CYS 189.A SG ASN 170.A O no hydrogen 3.888 N/A CYS 189.A SG THR 190.A O no hydrogen 3.658 N/A CYS 189.A SG PRO 191.A O no hydrogen 3.397 N/A THR 190.A N ASN 170.A O no hydrogen 3.029 N/A GLN 197.A NE2 THR 201.A OG1 no hydrogen 2.988 N/A LEU 200.A N PRO 196.A O no hydrogen 2.879 N/A THR 201.A N GLN 197.A O no hydrogen 2.803 N/A THR 201.A OG1 GLN 197.A O no hydrogen 3.128 N/A ALA 202.A N ASP 198.A O no hydrogen 3.198 N/A LEU 203.A N GLN 199.A O no hydrogen 2.871 N/A THR 204.A N LEU 200.A O no hydrogen 2.939 N/A THR 204.A OG1 LEU 200.A O no hydrogen 2.773 N/A GLY 205.A N THR 201.A O no hydrogen 2.971 N/A ARG 206.A N ALA 202.A O no hydrogen 2.941 N/A ILE 207.A N LEU 203.A O no hydrogen 3.018 N/A GLN 208.A N THR 204.A O no hydrogen 3.004 N/A GLN 208.A NE2 ILE 182.A O no hydrogen 2.831 N/A GLU 209.A N GLY 205.A O no hydrogen 2.874 N/A ALA 210.A N ILE 207.A O no hydrogen 3.356 N/A GLU 213.A N GLU 209.A O no hydrogen 3.053 N/A VAL 214.A N ALA 210.A O no hydrogen 3.092 N/A VAL 215.A N GLY 211.A O no hydrogen 2.952 N/A LYS 216.A N THR 212.A O no hydrogen 2.919 N/A LYS 216.A NZ GLU 213.A OE2 no hydrogen 3.118 N/A ALA 217.A N GLU 213.A O no hydrogen 2.931 N/A LYS 218.A N VAL 214.A O no hydrogen 2.891 N/A LYS 218.A NZ SER 223.A O no hydrogen 2.702 N/A ALA 219.A N VAL 215.A O no hydrogen 3.118 N/A ALA 219.A N LYS 216.A O no hydrogen 3.024 N/A ALA 221.A N LYS 218.A O no hydrogen 3.001 N/A ALA 229.A N THR 225.A O no hydrogen 2.873 N/A TYR 230.A N LEU 226.A O no hydrogen 3.076 N/A ALA 231.A N SER 227.A O no hydrogen 3.020 N/A GLY 232.A N MET 228.A O no hydrogen 2.691 N/A ALA 233.A N ALA 229.A O no hydrogen 2.900 N/A ARG 234.A N TYR 230.A O no hydrogen 2.963 N/A ARG 234.A NE GLU 251.A OE2 no hydrogen 3.037 N/A ARG 234.A NH1 GLU 251.A OE1 no hydrogen 3.011 N/A PHE 235.A N ALA 231.A O no hydrogen 2.984 N/A VAL 236.A N GLY 232.A O no hydrogen 2.983 N/A PHE 237.A N ALA 233.A O no hydrogen 2.763 N/A SER 238.A N ARG 234.A O no hydrogen 2.987 N/A SER 238.A OG ARG 234.A O no hydrogen 3.259 N/A SER 238.A OG GLU 251.A OE2 no hydrogen 2.636 N/A LEU 239.A N PHE 235.A O no hydrogen 2.905 N/A VAL 240.A N VAL 236.A O no hydrogen 2.813 N/A ASP 241.A N PHE 237.A O no hydrogen 2.838 N/A ALA 242.A N SER 238.A O no hydrogen 2.937 N/A MET 243.A N LEU 239.A O no hydrogen 2.847 N/A ASN 244.A N VAL 240.A O no hydrogen 2.879 N/A GLY 245.A N ALA 242.A O no hydrogen 3.019 N/A LYS 246.A N ASP 241.A O no hydrogen 3.035 N/A GLU 251.A N LEU 269.A O no hydrogen 3.040 N/A CYS 252.A SG VAL 173.A O no hydrogen 3.406 N/A SER 253.A N THR 267.A O no hydrogen 3.451 N/A SER 253.A OG GLY 145.A O no hydrogen 2.916 N/A PHE 254.A N GLY 145.A O no hydrogen 3.114 N/A VAL 255.A N PHE 265.A O no hydrogen 3.180 N/A LYS 256.A NZ GLN 258.A OE1 no hydrogen 2.902 N/A LYS 256.A NZ THR 263.A O no hydrogen 2.749 N/A LYS 256.A NZ THR 263.A OG1.B no hydrogen 3.359 N/A SER 257.A N THR 263.A O no hydrogen 2.858 N/A GLU 259.A N SER 257.A OG no hydrogen 3.169 N/A CYS 262.A N THR 260.A OG1 no hydrogen 2.923 N/A PHE 265.A N VAL 255.A O no hydrogen 2.944 N/A SER 266.A N GLY 175.A O no hydrogen 2.813 N/A THR 267.A OG1 ASN 279.A OD1 no hydrogen 2.716 N/A LEU 269.A N GLU 251.A O no hydrogen 2.980 N/A LEU 270.A N LYS 278.A O no hydrogen 2.955 N/A LEU 271.A N VAL 249.A O no hydrogen 2.778 N/A GLY 272.A N GLY 275.A O no hydrogen 2.764 N/A GLY 275.A N GLY 272.A O no hydrogen 3.060 N/A ILE 276.A N ASN 141.A O no hydrogen 2.822 N/A GLU 277.A N LEU 270.A O no hydrogen 2.849 N/A LYS 278.A N LEU 270.A O no hydrogen 3.249 N/A LEU 280.A N PRO 268.A O no hydrogen 2.952 N/A GLY 281.A N ASN 279.A OD1 no hydrogen 3.077 N/A SER 286.A N GLU 289.A OE1 no hydrogen 2.917 N/A GLU 289.A N SER 286.A OG no hydrogen 3.141 N/A GLU 290.A N SER 286.A O no hydrogen 2.856 N/A LYS 291.A N SER 287.A O no hydrogen 2.993 N/A MET 292.A N PHE 288.A O no hydrogen 3.091 N/A ILE 293.A N GLU 289.A O no hydrogen 2.913 N/A SER 294.A N GLU 290.A O no hydrogen 2.902 N/A ASP 295.A N LYS 291.A O no hydrogen 2.753 N/A ALA 296.A N MET 292.A O no hydrogen 2.941 N/A ALA 296.A N ILE 293.A O no hydrogen 3.184 N/A ILE 297.A N SER 294.A O no hydrogen 3.488 N/A LEU 300.A N ALA 296.A O no hydrogen 3.081 N/A LYS 301.A N ILE 297.A O no hydrogen 2.910 N/A ALA 302.A N PRO 298.A O no hydrogen 2.971 N/A SER 303.A N GLU 299.A O no hydrogen 3.044 N/A SER 303.A OG GLU 299.A O no hydrogen 3.263 N/A ILE 304.A N LEU 300.A O no hydrogen 2.922 N/A LYS 305.A N LYS 301.A O no hydrogen 2.939 N/A LYS 305.A NZ ASP 309.A OD2 no hydrogen 2.563 N/A LYS 306.A N ALA 302.A O no hydrogen 3.029 N/A LYS 306.A NZ ASP 88.A OD2 no hydrogen 2.883 N/A GLY 307.A N SER 303.A O no hydrogen 3.242 N/A GLU 308.A N ILE 304.A O no hydrogen 3.015 N/A ASP 309.A N LYS 305.A O no hydrogen 2.749 N/A PHE 310.A N LYS 306.A O no hydrogen 3.118 N/A PHE 310.A N GLY 307.A O no hydrogen 3.188 N/A VAL 311.A N GLY 307.A O no hydrogen 3.327 N/A LYS 312.A N GLU 308.A O no hydrogen 3.188 N/A THR 313.A N PHE 310.A O no hydrogen 3.005 N/A THR 313.A OG1 PHE 310.A O no hydrogen 2.653 N/A LEU 314.A N VAL 311.A O no hydrogen 3.009 N/A