Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1as3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 1.A OD2 no hydrogen 3.073 N/A VAL 5.A N ASP 1.A O no hydrogen 3.251 N/A GLU 6.A N LYS 2.A O no hydrogen 2.832 N/A ARG 7.A N ALA 3.A O no hydrogen 2.906 N/A SER 8.A N ALA 4.A O no hydrogen 3.074 N/A SER 8.A OG ALA 4.A O no hydrogen 2.791 N/A LYS 9.A N GLU 6.A O no hydrogen 3.401 N/A LYS 9.A NZ GLU 6.A OE2 no hydrogen 3.020 N/A MET 10.A N ARG 7.A O no hydrogen 3.236 N/A ARG 13.A NH1 GLY 19.A O no hydrogen 2.835 N/A ARG 13.A NH1 ALA 22.A O no hydrogen 2.676 N/A ASN 14.A N ILE 11.A O no hydrogen 3.298 N/A ASN 14.A ND2 ILE 11.A O no hydrogen 3.224 N/A LEU 15.A N ASP 12.A O no hydrogen 3.167 N/A ARG 16.A N ARG 13.A O no hydrogen 3.218 N/A GLY 19.A N ARG 16.A O no hydrogen 2.963 N/A LYS 21.A N ASP 18.A O no hydrogen 3.193 N/A ALA 22.A N GLY 19.A O no hydrogen 2.906 N/A ALA 23.A N PHE 330.A O no hydrogen 2.883 N/A ARG 24.A NH1 ASP 12.A OD2 no hydrogen 2.842 N/A ARG 24.A NH1 CYS 327.A O no hydrogen 2.957 N/A ARG 24.A NH2 ASP 12.A OD1 no hydrogen 3.112 N/A GLU 25.A N GLY 328.A O no hydrogen 2.656 N/A VAL 26.A N HIS 187.A O no hydrogen 2.950 N/A LYS 27.A N THR 201.A OG1 no hydrogen 2.864 N/A LEU 28.A N LYS 189.A O no hydrogen 2.998 N/A LEU 29.A N ALA 202.A O no hydrogen 3.157 N/A LEU 30.A N PHE 191.A O no hydrogen 2.776 N/A LEU 31.A N ILE 204.A O no hydrogen 2.966 N/A SER 36.A N ALA 33.A O no hydrogen 3.231 N/A SER 36.A OG ALA 33.A O no hydrogen 2.629 N/A LYS 38.A NZ GLY 32.A O no hydrogen 3.140 N/A LYS 38.A NZ ALA 33.A O no hydrogen 2.712 N/A LYS 38.A NZ SER 36.A OG no hydrogen 3.370 N/A SER 39.A OG ASP 192.A OD2 no hydrogen 3.506 N/A ILE 41.A N GLY 37.A O no hydrogen 3.049 N/A VAL 42.A N LYS 38.A O no hydrogen 3.062 N/A LYS 43.A N SER 39.A O no hydrogen 3.062 N/A GLN 44.A N THR 40.A O no hydrogen 2.994 N/A GLN 44.A NE2 THR 305.A OG1 no hydrogen 2.655 N/A MET 45.A N ILE 41.A O no hydrogen 3.148 N/A MET 45.A N VAL 42.A O no hydrogen 3.263 N/A LYS 46.A N VAL 42.A O no hydrogen 3.376 N/A LYS 46.A NZ THR 179.A OG1 no hydrogen 3.043 N/A ILE 47.A N LYS 43.A O no hydrogen 2.892 N/A ILE 48.A N GLN 44.A O no hydrogen 2.774 N/A HIS 49.A N MET 45.A O no hydrogen 2.856 N/A GLU 50.A N LYS 46.A O no hydrogen 2.936 N/A SER 54.A N GLU 57.A OE1 no hydrogen 2.881 N/A SER 54.A OG GLU 57.A OE1 no hydrogen 3.141 N/A GLU 57.A N SER 54.A OG no hydrogen 3.057 N/A CYS 58.A N SER 54.A O no hydrogen 2.646 N/A CYS 58.A SG TYR 53.A O no hydrogen 3.747 N/A CYS 58.A SG SER 54.A O no hydrogen 3.476 N/A LYS 59.A N GLU 55.A O no hydrogen 2.854 N/A GLN 60.A N GLU 57.A O no hydrogen 2.803 N/A TYR 61.A N CYS 58.A O no hydrogen 3.015 N/A LYS 62.A N LYS 59.A O no hydrogen 3.367 N/A VAL 64.A N TYR 61.A O no hydrogen 3.109 N/A VAL 65.A N TYR 61.A O no hydrogen 2.903 N/A TYR 66.A N LYS 62.A O no hydrogen 2.904 N/A SER 67.A N ALA 63.A O no hydrogen 2.737 N/A ASN 68.A N VAL 64.A O no hydrogen 2.718 N/A ASN 68.A ND2 ARG 170.A O no hydrogen 3.512 N/A THR 69.A N VAL 65.A O no hydrogen 2.972 N/A THR 69.A OG1 VAL 65.A O no hydrogen 2.750 N/A ILE 70.A N TYR 66.A O no hydrogen 2.986 N/A GLN 71.A N SER 67.A O no hydrogen 2.978 N/A SER 72.A N ASN 68.A O no hydrogen 2.820 N/A SER 72.A OG ASN 68.A O no hydrogen 2.526 N/A ILE 73.A N THR 69.A O no hydrogen 2.923 N/A ILE 74.A N ILE 70.A O no hydrogen 2.906 N/A ALA 75.A N GLN 71.A O no hydrogen 2.909 N/A ILE 76.A N SER 72.A O no hydrogen 3.193 N/A ILE 77.A N ILE 73.A O no hydrogen 2.883 N/A ARG 78.A N ILE 74.A O no hydrogen 2.783 N/A ALA 79.A N ALA 75.A O no hydrogen 3.042 N/A MET 80.A N ILE 76.A O no hydrogen 3.042 N/A GLY 81.A N ARG 78.A O no hydrogen 3.170 N/A ARG 82.A N ARG 78.A O no hydrogen 3.488 N/A LEU 83.A N ALA 79.A O no hydrogen 2.629 N/A LYS 84.A N GLY 81.A O no hydrogen 3.143 N/A ILE 85.A N MET 80.A O no hydrogen 2.624 N/A GLY 88.A N ASP 125.A OD2 no hydrogen 2.771 N/A ASP 89.A N ASP 125.A OD1 no hydrogen 3.148 N/A ARG 92.A N ASP 89.A O no hydrogen 3.096 N/A ASP 94.A N ALA 91.A O no hydrogen 2.922 N/A ASP 95.A N ARG 92.A O no hydrogen 2.683 N/A ALA 96.A N ARG 92.A O no hydrogen 2.880 N/A GLN 98.A N ASP 94.A O no hydrogen 3.240 N/A LEU 99.A N ASP 95.A O no hydrogen 2.752 N/A PHE 100.A N ALA 96.A O no hydrogen 3.249 N/A VAL 101.A N ARG 97.A O no hydrogen 2.964 N/A VAL 101.A N GLN 98.A O no hydrogen 3.170 N/A LEU 102.A N GLN 98.A O no hydrogen 2.860 N/A ALA 103.A N LEU 99.A O no hydrogen 2.811 N/A GLY 104.A N PHE 100.A O no hydrogen 2.841 N/A ALA 105.A N LEU 102.A O no hydrogen 3.466 N/A ALA 106.A N ALA 103.A O no hydrogen 3.204 N/A LEU 115.A N THR 112.A OG1 no hydrogen 2.745 N/A ALA 116.A N THR 112.A O no hydrogen 2.603 N/A GLY 117.A N ALA 113.A O no hydrogen 2.941 N/A VAL 118.A N GLU 114.A O no hydrogen 3.166 N/A ILE 119.A N LEU 115.A O no hydrogen 2.970 N/A LYS 120.A N ALA 116.A O no hydrogen 2.876 N/A ARG 121.A N GLY 117.A O no hydrogen 2.965 N/A ARG 121.A NE ASP 95.A OD2 no hydrogen 2.755 N/A ARG 121.A NH2 ASP 95.A OD1 no hydrogen 2.943 N/A ARG 121.A NH2 ASP 95.A OD2 no hydrogen 3.421 N/A LEU 122.A N VAL 118.A O no hydrogen 3.030 N/A TRP 123.A N ILE 119.A O no hydrogen 2.719 N/A TRP 123.A NE1 ASN 149.A OD1 no hydrogen 2.566 N/A LYS 124.A N LYS 120.A O no hydrogen 2.931 N/A ASP 125.A N LEU 122.A O no hydrogen 3.056 N/A VAL 128.A N ASP 125.A OD2 no hydrogen 3.113 N/A GLN 129.A N ASP 125.A O no hydrogen 2.825 N/A GLN 129.A NE2 TRP 123.A O no hydrogen 2.856 N/A ALA 130.A N SER 126.A O no hydrogen 2.669 N/A CYS 131.A N GLY 127.A O no hydrogen 2.925 N/A CYS 131.A SG ILE 76.A O no hydrogen 3.361 N/A CYS 131.A SG TYR 138.A OH no hydrogen 3.611 N/A PHE 132.A N VAL 128.A O no hydrogen 2.723 N/A ASN 133.A N GLN 129.A O no hydrogen 2.843 N/A ARG 134.A N CYS 131.A O no hydrogen 2.919 N/A ARG 134.A NE GLU 137.A OE2 no hydrogen 2.976 N/A ARG 134.A NH2 GLU 137.A OE1 no hydrogen 2.936 N/A SER 135.A N PHE 132.A O no hydrogen 2.885 N/A SER 135.A OG PHE 132.A O no hydrogen 3.119 N/A ARG 136.A NE ASP 213.A O no hydrogen 2.707 N/A ARG 136.A NH2 ASP 213.A O no hydrogen 3.509 N/A GLU 137.A N ARG 134.A O no hydrogen 2.966 N/A TYR 138.A N SER 135.A O no hydrogen 3.166 N/A TYR 138.A OH CYS 131.A O no hydrogen 2.786 N/A ASN 141.A ND2 GLN 71.A OE1 no hydrogen 2.896 N/A SER 143.A OG ARG 168.A O no hydrogen 2.646 N/A ALA 144.A N ASN 141.A O no hydrogen 3.221 N/A TYR 146.A OH ASP 165.A OD1 no hydrogen 2.711 N/A TYR 147.A N SER 143.A O no hydrogen 2.945 N/A TYR 147.A OH ASP 165.A O no hydrogen 2.778 N/A LEU 148.A N ALA 144.A O no hydrogen 2.860 N/A ASN 149.A N ALA 145.A O no hydrogen 2.951 N/A ASP 150.A N TYR 147.A O no hydrogen 2.915 N/A LEU 151.A N LEU 148.A O no hydrogen 3.402 N/A ARG 153.A NH1 ASP 165.A OD1 no hydrogen 3.320 N/A ARG 153.A NH1 ASP 165.A OD2 no hydrogen 2.704 N/A ARG 153.A NH2 ASP 165.A OD1 no hydrogen 3.206 N/A ILE 154.A N ASP 150.A O no hydrogen 3.036 N/A ALA 155.A N LEU 151.A O no hydrogen 2.615 N/A GLN 156.A N ASP 152.A O no hydrogen 3.243 N/A GLN 156.A N ARG 153.A O no hydrogen 3.363 N/A GLN 156.A NE2 ASP 152.A O no hydrogen 2.665 N/A TYR 159.A OH ASP 165.A OD2 no hydrogen 2.942 N/A THR 162.A N ASP 165.A OD2 no hydrogen 3.032 N/A GLN 164.A NE2 THR 303.A O no hydrogen 2.909 N/A ASP 165.A N THR 162.A OG1 no hydrogen 2.998 N/A VAL 166.A N THR 162.A O no hydrogen 2.890 N/A LEU 167.A N GLN 163.A O no hydrogen 2.845 N/A ARG 168.A N GLN 164.A O no hydrogen 2.853 N/A ARG 168.A NE GLN 164.A OE1 no hydrogen 2.672 N/A THR 169.A N VAL 166.A O no hydrogen 3.175 N/A THR 169.A OG1 VAL 166.A O no hydrogen 2.550 N/A ARG 170.A N ASN 68.A OD1 no hydrogen 2.865 N/A THR 173.A OG1 VAL 171.A O no hydrogen 3.084 N/A VAL 177.A N ASP 192.A O no hydrogen 2.866 N/A THR 179.A N MET 190.A O no hydrogen 2.670 N/A HIS 180.A NE2 GLU 178.A OE2 no hydrogen 2.853 N/A PHE 181.A N PHE 188.A O no hydrogen 3.049 N/A PHE 183.A N LEU 186.A O no hydrogen 2.908 N/A LYS 184.A NZ ASP 313.A O no hydrogen 3.099 N/A LYS 184.A NZ ASP 313.A OD2 no hydrogen 3.079 N/A LYS 184.A NZ ASP 317.A OD1 no hydrogen 2.927 N/A LEU 186.A N PHE 183.A O no hydrogen 2.760 N/A HIS 187.A N ARG 24.A O no hydrogen 2.957 N/A PHE 188.A N PHE 181.A O no hydrogen 2.692 N/A LYS 189.A N VAL 26.A O no hydrogen 2.893 N/A LYS 189.A NZ HIS 180.A ND1 no hydrogen 3.534 N/A MET 190.A N THR 179.A O no hydrogen 2.563 N/A PHE 191.A N LEU 28.A O no hydrogen 2.829 N/A ASP 192.A N VAL 177.A O no hydrogen 2.867 N/A GLY 194.A N ASP 192.A OD1 no hydrogen 3.191 N/A VAL 200.A N PHE 197.A O no hydrogen 3.012 N/A THR 201.A N LYS 27.A O no hydrogen 2.793 N/A THR 201.A OG1 LYS 27.A O no hydrogen 3.200 N/A ALA 202.A N LYS 27.A O no hydrogen 3.330 N/A ILE 203.A N SER 239.A O no hydrogen 2.663 N/A ILE 204.A N LEU 29.A O no hydrogen 2.988 N/A PHE 205.A N ILE 241.A O no hydrogen 2.631 N/A CYS 206.A N LEU 31.A O no hydrogen 2.878 N/A VAL 207.A N PHE 243.A O no hydrogen 2.764 N/A LEU 209.A N ASN 245.A O no hydrogen 2.773 N/A ASP 211.A N ALA 208.A O no hydrogen 3.102 N/A TYR 212.A N LEU 209.A O no hydrogen 3.286 N/A TYR 212.A OH SER 257.A O no hydrogen 3.171 N/A LEU 214.A N ASP 211.A O no hydrogen 3.279 N/A HIS 220.A N ASN 217.A OD1 no hydrogen 2.894 N/A GLU 221.A N ASN 217.A O no hydrogen 3.074 N/A GLU 221.A N ARG 218.A O no hydrogen 3.066 N/A SER 222.A N ARG 218.A O no hydrogen 3.225 N/A MET 223.A N MET 219.A O no hydrogen 2.994 N/A LYS 224.A N HIS 220.A O no hydrogen 2.802 N/A LEU 225.A N GLU 221.A O no hydrogen 3.058 N/A PHE 226.A N SER 222.A O no hydrogen 2.776 N/A ASP 227.A N MET 223.A O no hydrogen 2.933 N/A SER 228.A N LYS 224.A O no hydrogen 3.297 N/A ILE 229.A N LEU 225.A O no hydrogen 3.051 N/A CYS 230.A N PHE 226.A O no hydrogen 3.024 N/A CYS 230.A SG PHE 226.A O no hydrogen 3.162 N/A ASN 231.A N ASP 227.A O no hydrogen 3.297 N/A ASN 231.A ND2 ASP 227.A O no hydrogen 2.744 N/A ASN 231.A ND2 LEU 286.A O no hydrogen 2.764 N/A ASN 232.A N ILE 229.A O no hydrogen 2.892 N/A TRP 234.A N ASN 232.A OD1 no hydrogen 2.439 N/A PHE 235.A N ASN 232.A O no hydrogen 3.100 N/A THR 236.A N LYS 233.A O no hydrogen 3.194 N/A THR 236.A OG1 LYS 233.A O no hydrogen 2.611 N/A THR 238.A N PHE 235.A O no hydrogen 2.817 N/A THR 238.A OG1 VAL 200.A O no hydrogen 2.839 N/A SER 239.A N THR 201.A O no hydrogen 3.008 N/A SER 239.A OG ASN 323.A OD1 no hydrogen 2.533 N/A ILE 241.A N ILE 203.A O no hydrogen 2.621 N/A LEU 242.A N TYR 296.A O no hydrogen 2.635 N/A PHE 243.A N PHE 205.A O no hydrogen 2.746 N/A LEU 244.A N HIS 298.A O no hydrogen 2.885 N/A ASN 245.A N VAL 207.A O no hydrogen 2.592 N/A ASN 245.A ND2 SER 36.A O no hydrogen 2.509 N/A LYS 246.A NZ GLU 35.A O no hydrogen 2.709 N/A LYS 246.A NZ ASP 142.A OD2 no hydrogen 2.622 N/A LYS 247.A N THR 300.A O no hydrogen 3.172 N/A LYS 247.A NZ PHE 299.A O no hydrogen 3.165 N/A PHE 250.A N LYS 246.A O no hydrogen 3.056 N/A GLU 251.A N LYS 247.A O no hydrogen 2.824 N/A GLU 252.A N ASP 248.A O no hydrogen 3.240 N/A LYS 253.A N LEU 249.A O no hydrogen 2.916 N/A LYS 253.A NZ SER 210.A O no hydrogen 2.708 N/A LYS 253.A NZ ASP 213.A OD1 no hydrogen 2.654 N/A ILE 254.A N PHE 250.A O no hydrogen 2.800 N/A LYS 255.A NZ GLU 252.A OE2 no hydrogen 2.847 N/A LYS 256.A N LYS 253.A O no hydrogen 3.036 N/A SER 257.A N LYS 253.A O no hydrogen 2.763 N/A SER 257.A OG ASP 213.A OD2 no hydrogen 2.597 N/A LEU 259.A N ASN 270.A OD1 no hydrogen 2.885 N/A ILE 261.A N PRO 258.A O no hydrogen 2.989 N/A CYS 262.A N LEU 259.A O no hydrogen 2.842 N/A CYS 262.A SG ASN 217.A OD1 no hydrogen 3.595 N/A TYR 263.A N LEU 259.A O no hydrogen 2.811 N/A GLU 265.A N GLU 265.A OE1 no hydrogen 2.789 N/A TYR 266.A N TYR 263.A O no hydrogen 3.035 N/A TYR 266.A OH SER 269.A O no hydrogen 2.720 N/A SER 269.A N GLU 274.A OE1 no hydrogen 2.794 N/A SER 269.A OG GLU 274.A OE2 no hydrogen 3.293 N/A THR 271.A N SER 269.A O no hydrogen 2.819 N/A GLU 274.A N THR 271.A OG1 no hydrogen 3.173 N/A ALA 275.A N THR 271.A O no hydrogen 3.006 N/A ALA 276.A N TYR 272.A O no hydrogen 2.921 N/A ALA 277.A N GLU 273.A O no hydrogen 3.126 N/A TYR 278.A N GLU 274.A O no hydrogen 2.870 N/A TYR 278.A OH GLU 265.A OE2 no hydrogen 2.584 N/A ILE 279.A N ALA 275.A O no hydrogen 3.178 N/A GLN 280.A N ALA 276.A O no hydrogen 3.141 N/A GLN 280.A NE2 GLU 284.A OE1 no hydrogen 3.341 N/A GLN 280.A NE2 GLU 284.A OE2 no hydrogen 2.793 N/A CYS 281.A N ALA 277.A O no hydrogen 3.052 N/A CYS 281.A SG ALA 277.A O no hydrogen 3.518 N/A GLN 282.A N TYR 278.A O no hydrogen 2.763 N/A PHE 283.A N ILE 279.A O no hydrogen 2.970 N/A GLU 284.A N GLN 280.A O no hydrogen 2.814 N/A ASP 285.A N CYS 281.A O no hydrogen 2.984 N/A LEU 286.A N PHE 283.A O no hydrogen 2.872 N/A ASN 287.A N GLU 284.A O no hydrogen 3.411 N/A ASN 287.A ND2 LYS 293.A O no hydrogen 2.770 N/A LYS 288.A N ASN 231.A OD1 no hydrogen 2.813 N/A LYS 288.A NZ ASP 227.A OD1 no hydrogen 2.970 N/A LYS 290.A N LYS 288.A O no hydrogen 2.959 N/A LYS 290.A NZ ASP 285.A OD1 no hydrogen 2.880 N/A LYS 293.A N ARG 289.A O no hydrogen 2.663 N/A LYS 293.A NZ PHE 235.A O no hydrogen 2.584 N/A LYS 293.A NZ THR 238.A O no hydrogen 3.523 N/A TYR 296.A N ILE 240.A O no hydrogen 2.928 N/A TYR 296.A OH GLU 294.A OE1 no hydrogen 3.350 N/A THR 297.A OG1 GLU 284.A OE2 no hydrogen 2.616 N/A HIS 298.A N LEU 242.A O no hydrogen 2.833 N/A THR 300.A N LEU 244.A O no hydrogen 2.874 N/A THR 300.A OG1 ASN 245.A OD1 no hydrogen 2.939 N/A CYS 301.A N ASN 307.A OD1 no hydrogen 2.781 N/A CYS 301.A SG THR 303.A OG1 no hydrogen 3.524 N/A ALA 302.A N ASN 245.A OD1 no hydrogen 3.043 N/A ASP 304.A N CYS 301.A O no hydrogen 2.787 N/A ASN 307.A N ASP 304.A OD1 no hydrogen 3.381 N/A VAL 308.A N ASP 304.A O no hydrogen 3.015 N/A GLN 309.A N THR 305.A O no hydrogen 2.817 N/A PHE 310.A N LYS 306.A O no hydrogen 2.808 N/A VAL 311.A N ASN 307.A O no hydrogen 2.723 N/A PHE 312.A N VAL 308.A O no hydrogen 2.664 N/A ASP 313.A N GLN 309.A O no hydrogen 2.859 N/A ALA 314.A N PHE 310.A O no hydrogen 3.127 N/A VAL 315.A N VAL 311.A O no hydrogen 2.771 N/A THR 316.A N PHE 312.A O no hydrogen 2.871 N/A THR 316.A OG1 PHE 312.A O no hydrogen 2.927 N/A ASP 317.A N ASP 313.A O no hydrogen 3.079 N/A VAL 318.A N ALA 314.A O no hydrogen 3.312 N/A ILE 319.A N VAL 315.A O no hydrogen 3.294 N/A ILE 320.A N THR 316.A O no hydrogen 3.134 N/A LYS 321.A N ASP 317.A O no hydrogen 2.870 N/A ASN 322.A N VAL 318.A O no hydrogen 2.883 N/A ASN 322.A ND2 TYR 296.A OH no hydrogen 2.718 N/A ASN 323.A N ILE 319.A O no hydrogen 2.573 N/A ASP 326.A N ASN 323.A O no hydrogen 2.729 N/A CYS 327.A N LEU 324.A O no hydrogen 2.743 N/A CYS 327.A SG ASN 323.A O no hydrogen 3.440 N/A PHE 330.A N ALA 23.A O no hydrogen 2.676 N/A