Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1sz2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N CYS 18.A O no hydrogen 2.932 N/A LEU 4.A N ASP 56.A O no hydrogen 2.794 N/A VAL 5.A N ALA 16.A O no hydrogen 2.921 N/A GLY 6.A N CYS 58.A O no hydrogen 3.009 N/A ASP 7.A N ARG 14.A O no hydrogen 2.818 N/A VAL 8.A N ALA 60.A O no hydrogen 2.858 N/A GLY 9.A N ASN 12.A O no hydrogen 2.887 N/A ASN 12.A N GLY 9.A O no hydrogen 3.143 N/A ALA 13.A N TYR 31.A O no hydrogen 2.937 N/A ARG 14.A N ASP 7.A O no hydrogen 2.796 N/A ARG 14.A NE ASN 296.A OD1 no hydrogen 2.846 N/A ARG 14.A NH1 THR 30.A OG1 no hydrogen 2.827 N/A ARG 14.A NH2 ASN 296.A OD1 no hydrogen 2.920 N/A LEU 15.A N LYS 29.A O no hydrogen 2.755 N/A ALA 16.A N VAL 5.A O no hydrogen 2.948 N/A LEU 17.A N SER 26.A O no hydrogen 2.862 N/A CYS 18.A N ALA 3.A O no hydrogen 2.770 N/A CYS 18.A SG ASP 19.A O no hydrogen 3.820 N/A ASP 19.A N GLU 24.A O no hydrogen 2.733 N/A ILE 20.A N LYS 1.A O no hydrogen 3.050 N/A SER 22.A N ASP 19.A O no hydrogen 3.264 N/A SER 22.A OG ASP 19.A OD2 no hydrogen 3.031 N/A GLY 23.A N ASP 19.A O no hydrogen 2.765 N/A GLU 24.A N SER 22.A OG no hydrogen 3.279 N/A SER 26.A N LEU 17.A O no hydrogen 2.750 N/A LYS 29.A N LEU 15.A O no hydrogen 2.672 N/A LYS 29.A NZ HIS 50.A NE2 no hydrogen 2.894 N/A TYR 31.A N ALA 13.A O no hydrogen 2.871 N/A GLY 33.A N THR 11.A O no hydrogen 2.375 N/A ASP 35.A N SER 32.A O no hydrogen 3.210 N/A TYR 36.A N GLY 33.A O no hydrogen 3.036 N/A ALA 41.A N SER 38.A OG no hydrogen 2.906 N/A VAL 42.A N SER 38.A O no hydrogen 3.269 N/A ILE 43.A N LEU 39.A O no hydrogen 2.852 N/A ARG 44.A N GLU 40.A O no hydrogen 2.917 N/A ARG 44.A NE GLU 40.A OE2 no hydrogen 3.222 N/A ARG 44.A NH2 GLU 40.A OE2 no hydrogen 2.709 N/A ARG 44.A NH2 ASN 85.A O no hydrogen 3.039 N/A VAL 45.A N ALA 41.A O no hydrogen 2.919 N/A TYR 46.A N VAL 42.A O no hydrogen 3.042 N/A TYR 46.A OH GLN 27.A O no hydrogen 2.544 N/A LEU 47.A N ILE 43.A O no hydrogen 2.802 N/A GLU 48.A N ARG 44.A O no hydrogen 3.030 N/A GLU 49.A N VAL 45.A O no hydrogen 3.131 N/A HIS 50.A N TYR 46.A O no hydrogen 3.282 N/A HIS 50.A ND1 TYR 46.A O no hydrogen 2.799 N/A LYS 51.A NZ GLU 48.A O no hydrogen 3.541 N/A LYS 51.A NZ GLU 49.A O no hydrogen 2.949 N/A GLY 57.A N HIS 90.A O no hydrogen 2.987 N/A CYS 58.A N LEU 4.A O no hydrogen 2.895 N/A CYS 58.A SG GLU 92.A O no hydrogen 3.675 N/A CYS 58.A SG SER 302.A O no hydrogen 3.592 N/A ILE 59.A N GLU 92.A O no hydrogen 2.819 N/A ALA 60.A N GLY 6.A O no hydrogen 2.925 N/A ILE 61.A N ILE 94.A O no hydrogen 2.733 N/A ALA 62.A N VAL 8.A O no hydrogen 3.031 N/A CYS 63.A N ILE 61.A O no hydrogen 2.883 N/A CYS 63.A SG PRO 64.A O no hydrogen 3.831 N/A CYS 63.A SG ALA 71.A O no hydrogen 3.938 N/A VAL 70.A N PHE 78.A O no hydrogen 2.876 N/A TRP 76.A NE1 TYR 36.A O no hydrogen 2.956 N/A PHE 78.A N VAL 70.A O no hydrogen 2.788 N/A SER 79.A OG ASP 68.A OD1 no hydrogen 2.602 N/A SER 79.A OG ASP 68.A OD2 no hydrogen 3.513 N/A ILE 80.A N ASP 68.A O no hydrogen 3.136 N/A ALA 81.A N ASP 68.A OD2 no hydrogen 2.886 N/A GLU 82.A N SER 79.A OG no hydrogen 3.083 N/A LYS 83.A NZ SER 89.A O no hydrogen 3.201 N/A LYS 84.A N ALA 81.A O no hydrogen 2.982 N/A ASN 85.A N GLU 82.A O no hydrogen 2.765 N/A ASN 85.A ND2 GLU 40.A OE1 no hydrogen 3.035 N/A GLY 87.A N LYS 84.A O no hydrogen 2.960 N/A PHE 88.A N LYS 83.A O no hydrogen 3.185 N/A SER 89.A N LYS 55.A O no hydrogen 2.720 N/A HIS 90.A N ASP 56.A OD1 no hydrogen 3.049 N/A HIS 90.A ND1 ASP 56.A OD1 no hydrogen 3.128 N/A GLU 92.A N GLY 57.A O no hydrogen 2.872 N/A ILE 94.A N ILE 59.A O no hydrogen 2.979 N/A ASN 95.A ND2 CYS 63.A O no hydrogen 2.982 N/A ASP 96.A N ILE 61.A O no hydrogen 2.984 N/A PHE 97.A N ASN 95.A OD1 no hydrogen 3.009 N/A ALA 99.A N ASN 95.A O no hydrogen 3.225 N/A VAL 100.A N ASP 96.A O no hydrogen 3.040 N/A SER 101.A N PHE 97.A O no hydrogen 2.805 N/A SER 101.A OG PHE 97.A O no hydrogen 3.409 N/A SER 101.A OG THR 98.A O no hydrogen 2.673 N/A SER 101.A OG SER 147.A OG no hydrogen 2.767 N/A ILE 103.A N SER 101.A O no hydrogen 3.036 N/A LYS 106.A N HIS 109.A ND1 no hydrogen 3.328 N/A HIS 109.A N LYS 106.A O no hydrogen 2.691 N/A LEU 110.A N LYS 107.A O no hydrogen 3.200 N/A ILE 111.A N LEU 291.A O no hydrogen 2.990 N/A PHE 113.A N VAL 289.A O no hydrogen 2.663 N/A ALA 116.A N ASP 286.A O no hydrogen 2.829 N/A VAL 119.A N PHE 248.A O no hydrogen 2.911 N/A LYS 122.A N VAL 119.A O no hydrogen 3.097 N/A ILE 124.A N LEU 138.A O no hydrogen 2.834 N/A ALA 125.A N GLY 250.A O no hydrogen 3.285 N/A VAL 126.A N ALA 136.A O no hydrogen 2.905 N/A TYR 127.A N PHE 252.A O no hydrogen 2.886 N/A GLY 128.A N GLY 134.A O no hydrogen 2.975 N/A GLY 130.A N GLY 132.A O no hydrogen 2.887 N/A LEU 133.A N GLU 181.A OE2 no hydrogen 2.919 N/A GLY 134.A N GLY 128.A O no hydrogen 3.019 N/A ALA 136.A N VAL 126.A O no hydrogen 2.909 N/A HIS 137.A N LEU 148.A O no hydrogen 3.135 N/A LEU 138.A N ILE 124.A O no hydrogen 2.900 N/A VAL 139.A N VAL 146.A O no hydrogen 2.911 N/A VAL 141.A N ARG 144.A O no hydrogen 2.793 N/A ARG 144.A N VAL 141.A O no hydrogen 3.314 N/A VAL 146.A N VAL 139.A O no hydrogen 2.622 N/A SER 147.A OG SER 101.A OG no hydrogen 2.767 N/A LEU 148.A N HIS 137.A O no hydrogen 2.728 N/A HIS 154.A N GLU 151.A O no hydrogen 2.746 N/A PHE 157.A N VAL 178.A O no hydrogen 2.851 N/A ASN 160.A N GLU 164.A OE1 no hydrogen 3.455 N/A GLU 163.A N SER 161.A OG no hydrogen 2.854 N/A GLU 164.A N SER 161.A OG no hydrogen 3.388 N/A ALA 165.A N SER 161.A O no hydrogen 3.109 N/A ILE 166.A N GLU 162.A O no hydrogen 2.942 N/A ILE 167.A N GLU 163.A O no hydrogen 2.992 N/A LEU 168.A N GLU 164.A O no hydrogen 2.756 N/A GLU 169.A N ALA 165.A O no hydrogen 2.800 N/A ILE 170.A N ILE 166.A O no hydrogen 2.918 N/A LEU 171.A N ILE 167.A O no hydrogen 2.900 N/A ARG 172.A N LEU 168.A O no hydrogen 2.714 N/A ARG 172.A NH2 GLU 169.A OE1.B no hydrogen 3.057 N/A ALA 173.A N GLU 169.A O no hydrogen 2.871 N/A GLU 174.A N ILE 170.A O no hydrogen 3.332 N/A ILE 175.A N LEU 171.A O no hydrogen 2.861 N/A HIS 177.A NE2 ASP 156.A OD1 no hydrogen 2.467 N/A ALA 180.A N VAL 155.A O no hydrogen 2.901 N/A GLU 181.A N GLY 153.A O no hydrogen 3.119 N/A ARG 182.A N SER 179.A O no hydrogen 3.014 N/A VAL 183.A N ALA 180.A O no hydrogen 2.926 N/A LEU 184.A N ALA 180.A O no hydrogen 2.830 N/A SER 185.A OG GLU 181.A O no hydrogen 2.993 N/A GLY 186.A N GLY 130.A O no hydrogen 2.813 N/A GLY 188.A N SER 185.A OG no hydrogen 2.669 N/A LEU 189.A N SER 185.A O no hydrogen 2.911 N/A LEU 189.A N GLY 186.A O no hydrogen 3.045 N/A ASN 191.A N PRO 187.A O no hydrogen 2.893 N/A LEU 192.A N GLY 188.A O no hydrogen 2.864 N/A TYR 193.A N LEU 189.A O no hydrogen 2.970 N/A TYR 193.A OH GLU 205.A OE2 no hydrogen 3.142 N/A ARG 194.A N VAL 190.A O no hydrogen 2.888 N/A ALA 195.A N ASN 191.A O no hydrogen 2.970 N/A ILE 196.A N LEU 192.A O no hydrogen 2.792 N/A VAL 197.A N TYR 193.A O no hydrogen 3.086 N/A LYS 198.A N ARG 194.A O no hydrogen 2.922 N/A LYS 198.A NZ GLU 174.A OE2 no hydrogen 2.576 N/A ALA 199.A N ALA 195.A O no hydrogen 3.206 N/A ASP 200.A N ILE 196.A O no hydrogen 3.290 N/A ASN 201.A N LYS 198.A O no hydrogen 3.112 N/A ARG 202.A N VAL 197.A O no hydrogen 3.025 N/A ARG 202.A NE ASP 200.A OD2 no hydrogen 2.972 N/A ARG 202.A NH1 ASP 223.A OD2 no hydrogen 2.770 N/A ARG 202.A NH2 ASP 200.A OD2 no hydrogen 3.012 N/A ARG 202.A NH2 ASP 223.A OD1 no hydrogen 2.792 N/A ARG 202.A NH2 ASP 223.A OD2 no hydrogen 3.250 N/A GLU 205.A N TYR 193.A OH no hydrogen 2.838 N/A LYS 208.A N ASP 211.A OD2 no hydrogen 2.760 N/A ILE 212.A N LYS 208.A O no hydrogen 3.208 N/A ILE 212.A N PRO 209.A O no hydrogen 3.109 N/A THR 213.A N PRO 209.A O no hydrogen 3.379 N/A THR 213.A OG1 LYS 210.A O no hydrogen 3.125 N/A GLU 214.A N LYS 210.A O no hydrogen 3.040 N/A ARG 215.A N ASP 211.A O no hydrogen 3.087 N/A ALA 216.A N ILE 212.A O no hydrogen 2.974 N/A LEU 217.A N THR 213.A O no hydrogen 2.867 N/A ALA 218.A N GLU 214.A O no hydrogen 2.744 N/A ASP 219.A N ALA 216.A O no hydrogen 2.914 N/A SER 220.A N ARG 215.A O no hydrogen 2.873 N/A ARG 225.A N CYS 221.A O no hydrogen 2.869 N/A ARG 226.A N THR 222.A O no hydrogen 3.067 N/A ALA 227.A N ASP 223.A O no hydrogen 2.882 N/A LEU 228.A N CYS 224.A O no hydrogen 3.107 N/A LEU 228.A N ARG 225.A O no hydrogen 3.073 N/A SER 229.A N ARG 225.A O no hydrogen 3.059 N/A SER 229.A OG ARG 225.A O no hydrogen 3.450 N/A LEU 230.A N ARG 226.A O no hydrogen 3.004 N/A PHE 231.A N ALA 227.A O no hydrogen 2.809 N/A CYS 232.A N LEU 228.A O no hydrogen 3.130 N/A CYS 232.A SG LEU 228.A O no hydrogen 3.217 N/A VAL 233.A N SER 229.A O no hydrogen 3.373 N/A ILE 234.A N LEU 230.A O no hydrogen 2.991 N/A ARG 236.A N VAL 233.A O no hydrogen 2.870 N/A ARG 236.A NH2 GLU 164.A OE1 no hydrogen 2.631 N/A ARG 236.A NH2 GLU 164.A OE2 no hydrogen 2.082 N/A PHE 237.A N ILE 234.A O no hydrogen 2.744 N/A GLY 239.A N GLY 235.A O no hydrogen 2.956 N/A ASN 240.A N ARG 236.A O no hydrogen 3.141 N/A LEU 241.A N PHE 237.A O no hydrogen 3.246 N/A ALA 242.A N GLY 238.A O no hydrogen 3.166 N/A LEU 243.A N GLY 239.A O no hydrogen 2.993 N/A ASN 244.A N ASN 240.A O no hydrogen 2.996 N/A LEU 245.A N LEU 241.A O no hydrogen 3.172 N/A THR 247.A N ALA 242.A O no hydrogen 3.113 N/A PHE 248.A N GLY 246.A O no hydrogen 2.744 N/A GLY 249.A N PRO 123.A O no hydrogen 2.787 N/A GLY 250.A N THR 247.A O no hydrogen 2.943 N/A VAL 251.A N PRO 288.A O no hydrogen 3.065 N/A PHE 252.A N ALA 125.A O no hydrogen 2.824 N/A ILE 253.A N TYR 290.A O no hydrogen 2.894 N/A ALA 254.A N TYR 127.A O no hydrogen 2.877 N/A ILE 257.A N ALA 129.A O no hydrogen 3.051 N/A ARG 260.A NE THR 213.A OG1 no hydrogen 2.763 N/A ARG 260.A NH2 PRO 209.A O no hydrogen 3.410 N/A ARG 260.A NH2 THR 213.A OG1 no hydrogen 3.269 N/A PHE 261.A N VAL 258.A O no hydrogen 2.818 N/A LEU 262.A N PRO 259.A O no hydrogen 3.121 N/A PHE 265.A N PHE 261.A O no hydrogen 2.841 N/A LYS 266.A N LEU 262.A O no hydrogen 2.935 N/A LYS 266.A NZ GLU 263.A OE1 no hydrogen 3.167 N/A ALA 267.A N GLU 263.A O no hydrogen 2.968 N/A SER 268.A N PHE 265.A O no hydrogen 3.015 N/A SER 268.A OG PHE 265.A O no hydrogen 2.625 N/A PHE 270.A N SER 268.A OG no hydrogen 3.087 N/A ARG 271.A NE GLU 275.A OE2 no hydrogen 2.671 N/A ARG 271.A NH1 PHE 113.A O no hydrogen 2.958 N/A ARG 271.A NH1 ILE 287.A O no hydrogen 2.922 N/A ARG 271.A NH2 GLU 275.A OE2 no hydrogen 3.120 N/A ARG 271.A NH2 ILE 287.A O no hydrogen 2.846 N/A ALA 273.A N GLY 269.A O no hydrogen 3.147 N/A PHE 274.A N PHE 270.A O no hydrogen 2.922 N/A GLU 275.A N ARG 271.A O no hydrogen 3.078 N/A GLU 275.A N ALA 272.A O no hydrogen 3.191 N/A ASP 276.A N ALA 273.A O no hydrogen 3.045 N/A LYS 277.A N GLU 275.A O no hydrogen 2.792 N/A LYS 277.A NZ ARG 236.A O no hydrogen 2.871 N/A PHE 280.A N LYS 277.A O no hydrogen 3.019 N/A LYS 281.A N GLY 278.A O no hydrogen 2.910 N/A LYS 281.A NZ ASP 276.A OD1 no hydrogen 3.492 N/A HIS 285.A ND1 GLU 275.A OE1 no hydrogen 2.759 N/A ILE 287.A N VAL 284.A O no hydrogen 3.128 N/A TYR 290.A N VAL 251.A O no hydrogen 2.875 N/A LEU 291.A N ILE 111.A O no hydrogen 2.884 N/A ILE 292.A N ILE 253.A O no hydrogen 2.827 N/A VAL 293.A N HIS 109.A O no hydrogen 2.755 N/A ASN 296.A N HIS 294.A ND1 no hydrogen 2.930 N/A LEU 300.A N ASN 296.A O no hydrogen 3.182 N/A GLY 301.A N PRO 297.A O no hydrogen 2.948 N/A SER 302.A N GLY 298.A O no hydrogen 2.979 N/A SER 302.A OG GLY 6.A O no hydrogen 3.461 N/A SER 302.A OG GLY 298.A O no hydrogen 2.955 N/A GLY 303.A N LEU 299.A O no hydrogen 3.088 N/A ALA 304.A N LEU 300.A O no hydrogen 2.968 N/A HIS 305.A N GLY 301.A O no hydrogen 2.833 N/A HIS 305.A NE2 GLU 92.A OE2 no hydrogen 2.673 N/A LEU 306.A N SER 302.A O no hydrogen 2.933 N/A ARG 307.A N GLY 303.A O no hydrogen 2.794 N/A ARG 307.A NH1 ILE 20.A O no hydrogen 3.420 N/A GLN 308.A N ALA 304.A O no hydrogen 2.964 N/A THR 309.A N HIS 305.A O no hydrogen 3.028 N/A THR 309.A OG1 HIS 305.A O no hydrogen 2.839 N/A LEU 310.A N LEU 306.A O no hydrogen 2.851 N/A GLY 311.A N GLN 308.A O no hydrogen 3.177 N/A HIS 312.A N ARG 307.A O no hydrogen 2.999 N/A