Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dr2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N VAL 75.A O no hydrogen 2.884 N/A ARG 5.A N VAL 75.A O no hydrogen 3.332 N/A ARG 5.A NH1 GLY 8.A O no hydrogen 3.063 N/A ARG 5.A NH1 GLY 73.A O no hydrogen 2.930 N/A ARG 5.A NH2 PRO 9.A O no hydrogen 3.065 N/A GLY 8.A N ASP 72.A O no hydrogen 2.942 N/A VAL 11.A N THR 36.A O no hydrogen 3.415 N/A ALA 13.A N LEU 34.A O no hydrogen 2.924 N/A CYS 15.A N ALA 13.A O no hydrogen 3.182 N/A CYS 15.A SG ASP 16.A O no hydrogen 3.900 N/A CYS 15.A SG PRO 268.A O no hydrogen 3.563 N/A ARG 19.A N HIS 266.A O no hydrogen 2.819 N/A THR 21.A OG1 LEU 264.A O no hydrogen 3.303 N/A HIS 22.A N LEU 264.A O no hydrogen 3.192 N/A ALA 26.A N HIS 22.A O no hydrogen 3.118 N/A ALA 27.A N ALA 23.A O no hydrogen 3.069 N/A ARG 28.A N ALA 24.A O no hydrogen 3.140 N/A ARG 28.A NH2 ASP 241.A OD1 no hydrogen 3.040 N/A LEU 29.A N LEU 25.A O no hydrogen 3.005 N/A GLY 30.A N ALA 26.A O no hydrogen 2.889 N/A ALA 32.A N LEU 29.A O no hydrogen 3.075 N/A ARG 33.A NH1 ALA 32.A O no hydrogen 3.165 N/A LEU 35.A N MET 295.A O no hydrogen 2.808 N/A THR 36.A N VAL 11.A O no hydrogen 2.753 N/A LEU 37.A N LEU 293.A O no hydrogen 2.803 N/A TYR 38.A N LEU 293.A O no hydrogen 3.351 N/A GLN 40.A NE2 ASP 39.A OD1 no hydrogen 2.890 N/A ALA 41.A N PRO 291.A O no hydrogen 3.084 N/A THR 42.A N ASP 60.A OD1 no hydrogen 3.187 N/A THR 42.A N ASP 60.A OD2 no hydrogen 3.187 N/A TRP 43.A N ASP 60.A OD2 no hydrogen 3.020 N/A SER 44.A N GLY 290.A O no hydrogen 2.758 N/A SER 44.A OG GLY 290.A O no hydrogen 2.830 N/A SER 44.A OG CYS 292.A O no hydrogen 3.250 N/A GLU 45.A N SER 59.A O no hydrogen 2.788 N/A GLY 46.A N GLU 45.A OE1 no hydrogen 2.651 N/A ALA 48.A N VAL 57.A O no hydrogen 2.707 N/A TRP 49.A NE1 GLU 51.A OE1 no hydrogen 2.934 N/A TRP 50.A N THR 55.A O no hydrogen 2.868 N/A TRP 50.A NE1 GLN 94.A O no hydrogen 2.842 N/A GLN 53.A N TRP 50.A O no hydrogen 3.134 N/A ARG 54.A N GLU 51.A O no hydrogen 2.970 N/A ARG 54.A NE GLU 71.A OE1 no hydrogen 2.796 N/A ARG 54.A NE GLU 71.A OE2 no hydrogen 3.416 N/A ARG 54.A NH2 GLU 71.A OE2 no hydrogen 3.106 N/A THR 55.A N TRP 50.A O no hydrogen 3.196 N/A THR 55.A OG1 GLN 53.A O no hydrogen 2.669 N/A LEU 56.A N TRP 69.A O no hydrogen 2.999 N/A VAL 57.A N ALA 48.A O no hydrogen 2.847 N/A TRP 58.A N LEU 67.A O no hydrogen 3.020 N/A TRP 58.A NE1 SER 44.A OG no hydrogen 3.228 N/A SER 59.A N GLU 45.A O no hydrogen 2.712 N/A SER 59.A OG THR 85.A O no hydrogen 3.494 N/A SER 59.A OG ASN 86.A O no hydrogen 2.733 N/A ASP 60.A N ARG 65.A O no hydrogen 2.816 N/A LEU 61.A N TRP 43.A O no hydrogen 2.902 N/A GLY 63.A N ASP 60.A OD2 no hydrogen 3.134 N/A ARG 64.A N LEU 61.A O no hydrogen 3.316 N/A ARG 64.A NE THR 82.A O no hydrogen 2.989 N/A ARG 64.A NH2 THR 82.A O no hydrogen 3.481 N/A ARG 65.A N ASP 60.A O no hydrogen 3.259 N/A ARG 65.A NE ASP 80.A OD1 no hydrogen 2.938 N/A VAL 66.A N LEU 79.A O no hydrogen 2.872 N/A LEU 67.A N TRP 58.A O no hydrogen 2.730 N/A GLY 68.A N ASP 76.A O no hydrogen 2.812 N/A TRP 69.A N LEU 56.A O no hydrogen 2.864 N/A ARG 70.A N THR 74.A O no hydrogen 2.680 N/A ARG 70.A NE ASP 76.A OD2 no hydrogen 2.819 N/A ARG 70.A NH1 THR 55.A OG1 no hydrogen 2.832 N/A ARG 70.A NH2 ASP 76.A OD2 no hydrogen 3.297 N/A GLY 73.A N ARG 70.A O no hydrogen 2.857 N/A THR 74.A N ASP 72.A OD1 no hydrogen 3.199 N/A THR 74.A OG1 ASP 72.A OD1 no hydrogen 3.021 N/A THR 74.A OG1 ASP 72.A OD2 no hydrogen 3.143 N/A VAL 75.A N ARG 5.A O no hydrogen 3.112 N/A ASP 76.A N GLY 68.A O no hydrogen 2.928 N/A VAL 77.A N CYS 2.A O no hydrogen 2.935 N/A LEU 78.A N VAL 66.A O no hydrogen 2.806 N/A LEU 79.A N VAL 66.A O no hydrogen 3.109 N/A THR 82.A N ARG 64.A O no hydrogen 2.923 N/A THR 85.A N THR 82.A OG1 no hydrogen 3.375 N/A ASN 86.A N CYS 99.A O no hydrogen 2.724 N/A GLY 87.A N ASN 131.A O no hydrogen 2.949 N/A ASN 88.A ND2 GLY 46.A O no hydrogen 2.921 N/A ASN 88.A ND2 SER 59.A OG no hydrogen 2.767 N/A ALA 89.A N VAL 97.A O no hydrogen 3.060 N/A ASP 91.A N ARG 95.A O no hydrogen 2.971 N/A GLN 94.A N ASP 91.A O no hydrogen 2.973 N/A ARG 95.A N ASP 91.A OD2 no hydrogen 2.801 N/A ARG 95.A NE ASP 91.A OD1 no hydrogen 2.824 N/A ARG 95.A NH2 ASP 91.A OD1 no hydrogen 3.164 N/A ARG 95.A NH2 GLN 93.A OE1 no hydrogen 2.721 N/A VAL 97.A N ALA 89.A O no hydrogen 2.917 N/A HIS 98.A N THR 107.A O no hydrogen 2.705 N/A HIS 98.A ND1 ASN 88.A OD1 no hydrogen 2.722 N/A HIS 98.A NE2 SER 109.A OG no hydrogen 2.501 N/A CYS 99.A N GLY 87.A O no hydrogen 2.949 N/A GLU 100.A N ALA 105.A O no hydrogen 2.937 N/A HIS 101.A N PHE 84.A O no hydrogen 2.899 N/A HIS 101.A ND1 GLN 155.A O no hydrogen 2.967 N/A GLY 102.A N ALA 83.A O no hydrogen 2.734 N/A ARG 103.A NE GLU 100.A OE1 no hydrogen 2.750 N/A ARG 103.A NH1 GLU 100.A OE1 no hydrogen 3.321 N/A ARG 103.A NH1 GLU 100.A OE2 no hydrogen 3.004 N/A ARG 103.A NH1 ALA 115.A O no hydrogen 2.812 N/A ARG 103.A NH2 ALA 115.A O no hydrogen 3.470 N/A ARG 104.A NE LEU 127.A O no hydrogen 2.908 N/A ARG 104.A NE ASN 128.A O no hydrogen 3.220 N/A ARG 104.A NH2 LEU 127.A O no hydrogen 3.248 N/A ALA 105.A N GLU 100.A O no hydrogen 3.212 N/A ILE 106.A N VAL 119.A O no hydrogen 2.935 N/A THR 107.A N HIS 98.A O no hydrogen 2.919 N/A THR 107.A OG1 GLU 100.A OE2 no hydrogen 2.592 N/A ARG 108.A N HIS 116.A O no hydrogen 2.807 N/A SER 109.A N LEU 96.A O no hydrogen 2.848 N/A SER 109.A OG HIS 98.A NE2 no hydrogen 2.501 N/A ASP 110.A N GLN 114.A O no hydrogen 3.077 N/A GLY 113.A N ASP 110.A O no hydrogen 3.084 N/A GLN 114.A N ASP 112.A OD1 no hydrogen 2.875 N/A HIS 116.A N ARG 108.A O no hydrogen 2.828 N/A LEU 118.A N ILE 106.A O no hydrogen 2.851 N/A VAL 119.A N ILE 106.A O no hydrogen 3.278 N/A ARG 121.A NH1 GLY 124.A O no hydrogen 3.005 N/A TYR 122.A N LYS 125.A O no hydrogen 2.725 N/A LYS 125.A N TYR 122.A O no hydrogen 2.876 N/A ARG 126.A N GLU 162.A OE2 no hydrogen 2.885 N/A ARG 126.A NH2 ARG 103.A O no hydrogen 3.116 N/A LEU 127.A N GLY 120.A O no hydrogen 3.218 N/A ASN 128.A N ASP 145.A OD1 no hydrogen 2.862 N/A ASN 128.A ND2 ASP 145.A O no hydrogen 2.989 N/A ASN 128.A ND2 HIS 165.A O no hydrogen 3.076 N/A SER 129.A N ASP 145.A OD2 no hydrogen 2.797 N/A SER 129.A OG PRO 146.A O no hydrogen 2.702 N/A ASN 131.A N THR 144.A O no hydrogen 3.001 N/A ASP 132.A N THR 144.A OG1 no hydrogen 3.259 N/A LEU 133.A N ASP 132.A OD2 no hydrogen 2.827 N/A ILE 134.A N TRP 142.A O no hydrogen 2.867 N/A ALA 136.A N ALA 140.A O no hydrogen 2.858 N/A ARG 137.A N GLU 196.A OE1 no hydrogen 2.909 N/A ARG 137.A NH1 PRO 194.A O no hydrogen 2.894 N/A ARG 137.A NH2 PRO 194.A O no hydrogen 2.868 N/A GLY 139.A N ALA 136.A O no hydrogen 2.911 N/A ALA 140.A N ASP 138.A OD1 no hydrogen 3.243 N/A ILE 141.A N LEU 171.A O no hydrogen 2.926 N/A TRP 142.A N ILE 134.A O no hydrogen 2.878 N/A PHE 143.A N TYR 169.A O no hydrogen 3.019 N/A THR 144.A N ASP 132.A O no hydrogen 3.069 N/A THR 144.A OG1 ASP 132.A O no hydrogen 3.546 N/A THR 144.A OG1 ASN 188.A O no hydrogen 2.606 N/A ASP 145.A N SER 167.A O no hydrogen 2.897 N/A GLY 149.A N SER 129.A OG no hydrogen 3.025 N/A LEU 150.A N PRO 147.A O no hydrogen 2.853 N/A ARG 151.A N PHE 148.A O no hydrogen 3.306 N/A GLN 155.A N LYS 152.A O no hydrogen 2.868 N/A GLY 156.A N PRO 153.A O no hydrogen 3.516 N/A CYS 157.A SG PRO 158.A O no hydrogen 3.561 N/A ALA 159.A N LEU 150.A O no hydrogen 3.214 N/A HIS 165.A ND1 SER 167.A OG no hydrogen 2.762 N/A SER 167.A OG HIS 165.A ND1 no hydrogen 2.762 N/A SER 167.A OG ASP 183.A OD1 no hydrogen 2.590 N/A VAL 168.A N ALA 182.A O no hydrogen 2.971 N/A TYR 169.A N PHE 143.A O no hydrogen 2.859 N/A ARG 170.A N GLN 179.A O no hydrogen 3.047 N/A ARG 170.A NH1 ASP 138.A OD2 no hydrogen 2.787 N/A ARG 170.A NH2 GLN 179.A OE1 no hydrogen 2.716 N/A LEU 171.A N ILE 141.A O no hydrogen 2.720 N/A GLN 179.A N ARG 170.A O no hydrogen 3.087 N/A ARG 180.A NE ASP 183.A OD1 no hydrogen 2.978 N/A ARG 180.A NE ASP 183.A OD2 no hydrogen 3.415 N/A ARG 180.A NH2 ASP 183.A OD2 no hydrogen 2.713 N/A MET 181.A N VAL 168.A O no hydrogen 2.995 N/A LEU 184.A N HIS 166.A O no hydrogen 2.824 N/A ASP 185.A N GLN 203.A OE1 no hydrogen 2.973 N/A HIS 186.A N HIS 166.A ND1 no hydrogen 3.103 N/A ASN 188.A N SER 202.A O no hydrogen 2.741 N/A ASN 188.A ND2 THR 204.A OG1 no hydrogen 2.949 N/A GLY 189.A N SER 202.A OG no hydrogen 2.937 N/A ALA 191.A N TYR 200.A O no hydrogen 2.993 N/A SER 193.A N THR 198.A O no hydrogen 3.016 N/A SER 193.A OG ASP 195.A OD2 no hydrogen 2.608 N/A SER 193.A OG THR 198.A O no hydrogen 3.450 N/A GLU 196.A N SER 193.A O no hydrogen 2.868 N/A GLN 197.A N ASP 195.A OD2 no hydrogen 2.862 N/A THR 198.A N SER 193.A OG no hydrogen 3.250 N/A LEU 199.A N PHE 214.A O no hydrogen 2.907 N/A TYR 200.A N ALA 191.A O no hydrogen 2.847 N/A VAL 201.A N THR 212.A O no hydrogen 2.767 N/A SER 202.A N GLY 189.A O no hydrogen 2.956 N/A SER 202.A OG PRO 235.A O no hydrogen 2.755 N/A SER 202.A OG ASP 236.A O no hydrogen 3.051 N/A GLN 203.A N GLU 210.A O no hydrogen 2.804 N/A GLN 203.A NE2 THR 212.A OG1 no hydrogen 2.861 N/A THR 204.A N HIS 186.A O no hydrogen 3.028 N/A SER 208.A OG GLU 210.A OE2 no hydrogen 3.014 N/A GLU 210.A N GLN 203.A O no hydrogen 3.110 N/A ILE 211.A N ALA 228.A O no hydrogen 2.893 N/A THR 212.A N VAL 201.A O no hydrogen 2.715 N/A THR 212.A OG1 GLU 210.A OE1 no hydrogen 2.709 N/A ALA 213.A N ARG 225.A O no hydrogen 2.796 N/A PHE 214.A N LEU 199.A O no hydrogen 2.778 N/A ALA 215.A N HIS 222.A O no hydrogen 2.666 N/A TRP 216.A N GLN 197.A O no hydrogen 2.924 N/A ARG 217.A N ALA 220.A O no hydrogen 3.257 N/A ARG 217.A NH1 ASP 223.A OD2 no hydrogen 2.864 N/A ARG 217.A NH2 ASP 223.A OD2 no hydrogen 3.310 N/A ALA 220.A N ARG 217.A O no hydrogen 3.402 N/A HIS 222.A N ALA 215.A O no hydrogen 2.627 N/A ARG 224.A NH1 ASP 183.A O no hydrogen 2.790 N/A ARG 224.A NH2 ASP 183.A O no hydrogen 2.654 N/A ARG 225.A N ALA 213.A O no hydrogen 3.038 N/A ARG 225.A NH1 ASP 223.A O no hydrogen 2.827 N/A HIS 226.A NE2 SER 229.A OG no hydrogen 2.928 N/A PHE 227.A N ILE 211.A O no hydrogen 2.870 N/A ALA 228.A N ILE 211.A O no hydrogen 3.223 N/A SER 229.A OG HIS 226.A NE2 no hydrogen 2.928 N/A ASP 236.A N LEU 234.A O no hydrogen 2.835 N/A GLY 237.A N SER 249.A OG no hydrogen 3.082 N/A GLY 237.A N SER 274.A O no hydrogen 2.968 N/A CYS 239.A N TRP 247.A O no hydrogen 2.938 N/A CYS 239.A SG CYS 276.A O no hydrogen 3.957 N/A ASP 241.A N TRP 245.A O no hydrogen 2.965 N/A ARG 242.A N GLN 282.A OE1 no hydrogen 2.953 N/A ARG 242.A NH1 GLN 280.A O no hydrogen 3.227 N/A ARG 242.A NH2 GLN 280.A O no hydrogen 3.075 N/A GLY 244.A N ASP 241.A O no hydrogen 2.894 N/A TRP 245.A N ASP 241.A OD2 no hydrogen 2.894 N/A LEU 246.A N PHE 257.A O no hydrogen 2.828 N/A TRP 247.A N CYS 239.A O no hydrogen 2.838 N/A TRP 247.A NE1 ASP 241.A OD1 no hydrogen 3.018 N/A SER 248.A N CYS 255.A O no hydrogen 2.742 N/A SER 248.A OG SER 249.A O no hydrogen 2.934 N/A SER 249.A N GLY 237.A O no hydrogen 3.074 N/A SER 249.A OG GLY 237.A O no hydrogen 2.814 N/A SER 250.A OG GLY 253.A O no hydrogen 2.551 N/A GLY 251.A N ASP 232.A O no hydrogen 2.912 N/A THR 252.A OG1 HIS 266.A NE2 no hydrogen 2.811 N/A VAL 254.A N ILE 267.A O no hydrogen 2.895 N/A CYS 255.A N SER 248.A O no hydrogen 2.723 N/A VAL 256.A N GLY 265.A O no hydrogen 3.085 N/A PHE 257.A N LEU 246.A O no hydrogen 2.906 N/A ASP 258.A N GLN 262.A O no hydrogen 2.937 N/A ASP 260.A N ASP 258.A OD2 no hydrogen 2.725 N/A GLY 261.A N ASP 258.A O no hydrogen 2.933 N/A GLN 262.A N ASP 258.A OD2 no hydrogen 2.909 N/A LEU 264.A N VAL 256.A O no hydrogen 2.629 N/A HIS 266.A N ARG 19.A O no hydrogen 2.891 N/A ILE 267.A N VAL 254.A O no hydrogen 2.738 N/A THR 269.A N THR 252.A O no hydrogen 3.150 N/A ALA 273.A N SER 250.A O no hydrogen 3.146 N/A SER 274.A N THR 288.A O no hydrogen 2.717 N/A SER 274.A OG SER 44.A O no hydrogen 2.664 N/A SER 274.A OG THR 288.A O no hydrogen 3.298 N/A SER 274.A OG THR 288.A OG1 no hydrogen 2.884 N/A ASN 275.A ND2 GLU 45.A OE1 no hydrogen 3.018 N/A ASN 275.A ND2 ASP 132.A OD1 no hydrogen 3.071 N/A CYS 276.A N ASN 275.A OD1 no hydrogen 2.798 N/A CYS 276.A SG TRP 247.A O no hydrogen 3.187 N/A THR 277.A N PHE 286.A O no hydrogen 2.931 N/A ASP 279.A N ARG 284.A O no hydrogen 3.169 N/A GLN 282.A N ASP 279.A O no hydrogen 2.947 N/A GLN 283.A N ASP 279.A OD1 no hydrogen 2.827 N/A GLN 283.A NE2 LEU 298.A O no hydrogen 3.377 N/A GLN 283.A NE2 PRO 299.A O no hydrogen 3.093 N/A ARG 284.A N ASP 279.A OD1 no hydrogen 3.008 N/A ARG 284.A NE ASP 279.A OD2 no hydrogen 2.967 N/A ARG 284.A NH1 GLU 71.A OE2 no hydrogen 3.021 N/A ARG 284.A NH2 GLU 71.A OE2 no hydrogen 2.995 N/A ARG 284.A NH2 ASP 279.A OD2 no hydrogen 3.206 N/A LEU 285.A N LEU 296.A O no hydrogen 2.973 N/A PHE 286.A N THR 277.A O no hydrogen 2.768 N/A ILE 287.A N TRP 294.A O no hydrogen 2.875 N/A THR 288.A N ASN 275.A O no hydrogen 2.972 N/A THR 288.A OG1 SER 274.A OG no hydrogen 2.884 N/A THR 288.A OG1 ASN 275.A O no hydrogen 3.372 N/A GLY 289.A N CYS 292.A O no hydrogen 3.036 N/A CYS 292.A N GLY 289.A O no hydrogen 2.896 N/A LEU 293.A N TYR 38.A O no hydrogen 3.058 N/A TRP 294.A N ILE 287.A O no hydrogen 2.671 N/A MET 295.A N LEU 35.A O no hydrogen 2.860 N/A LEU 296.A N LEU 285.A O no hydrogen 2.766 N/A LEU 298.A N GLN 283.A O no hydrogen 2.884 N/A