Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wla_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG TRP 3.A O no hydrogen 3.348 N/A TRP 3.A N SER 1.A OG no hydrogen 3.193 N/A ALA 4.A N ARG 136.A O no hydrogen 3.297 N/A CYS 5.A SG CYS 137.A O no hydrogen 3.258 N/A CYS 5.A SG THR 140.A OG1 no hydrogen 3.276 N/A PHE 9.A N PRO 6.A O no hydrogen 2.935 N/A LYS 12.A N ASN 16.A OD1 no hydrogen 2.986 N/A GLY 14.A N VAL 30.A O no hydrogen 2.802 N/A ASN 16.A N PHE 28.A O no hydrogen 2.796 N/A ASN 16.A ND2 LYS 12.A O no hydrogen 2.879 N/A ASN 16.A ND2 GLY 14.A O no hydrogen 2.834 N/A ASN 16.A ND2 PHE 28.A O no hydrogen 3.527 N/A ASP 18.A N GLN 85.A OE1 no hydrogen 2.605 N/A PHE 19.A N ARG 26.A O no hydrogen 2.811 N/A SER 21.A N LYS 24.A O no hydrogen 3.048 N/A LYS 24.A N SER 21.A O no hydrogen 2.937 N/A LYS 24.A NZ ASP 126.A OD2 no hydrogen 2.674 N/A ARG 26.A N PHE 19.A O no hydrogen 2.767 N/A ARG 26.A NH1 ASP 127.A OD1 no hydrogen 2.874 N/A ARG 26.A NH2 VAL 79.A O no hydrogen 3.109 N/A ARG 26.A NH2 ASP 127.A OD1 no hydrogen 3.038 N/A PHE 28.A N ASN 16.A O no hydrogen 2.883 N/A VAL 29.A N SER 77.A O no hydrogen 2.759 N/A VAL 30.A N GLY 14.A O no hydrogen 2.863 N/A VAL 31.A N VAL 75.A O no hydrogen 2.850 N/A LYS 34.A NZ GLU 70.A O no hydrogen 3.414 N/A ALA 40.A N LYS 143.A O no hydrogen 2.706 N/A VAL 42.A N ARG 148.A O no hydrogen 2.857 N/A TRP 43.A N MET 74.A O no hydrogen 2.871 N/A TRP 43.A NE1 ASN 65.A OD1 no hydrogen 2.668 N/A VAL 44.A N PHE 150.A O no hydrogen 2.925 N/A MET 46.A N GLY 152.A O no hydrogen 2.723 N/A THR 53.A OG1 PRO 78.A O no hydrogen 3.371 N/A ASN 54.A N PRO 87.A O no hydrogen 2.880 N/A ASN 54.A ND2 ASN 88.A OD1 no hydrogen 2.885 N/A ASN 56.A N ALA 52.A O no hydrogen 3.204 N/A LEU 57.A N THR 53.A O no hydrogen 3.151 N/A ASN 58.A N ASN 54.A O no hydrogen 2.815 N/A VAL 59.A N TRP 55.A O no hydrogen 2.787 N/A SER 62.A N VAL 59.A O no hydrogen 2.895 N/A SER 62.A OG GLU 51.A OE2 no hydrogen 2.589 N/A GLY 63.A N PRO 60.A O no hydrogen 2.975 N/A ASN 64.A N VAL 59.A O no hydrogen 3.128 N/A ASN 64.A ND2 ASP 286.A OD1 no hydrogen 3.110 N/A ASN 64.A ND2 ASP 286.A OD2 no hydrogen 3.532 N/A ASN 65.A N ASN 56.A O no hydrogen 2.831 N/A ASN 65.A ND2 ASN 56.A O no hydrogen 3.323 N/A ASN 65.A ND2 ASN 56.A OD1 no hydrogen 3.045 N/A ALA 66.A N LEU 57.A O no hydrogen 2.822 N/A LYS 67.A N ASN 64.A O no hydrogen 3.148 N/A LYS 67.A NZ ASP 286.A OD2 no hydrogen 3.333 N/A LEU 68.A N ASN 65.A O no hydrogen 3.145 N/A ALA 69.A N ALA 66.A O no hydrogen 3.032 N/A GLU 70.A N LYS 67.A O no hydrogen 2.846 N/A HIS 71.A N LEU 68.A O no hydrogen 2.944 N/A TYR 73.A N LEU 68.A O no hydrogen 3.320 N/A TYR 73.A OH ASN 294.A OD1 no hydrogen 2.694 N/A MET 74.A N PRO 41.A O no hydrogen 2.827 N/A VAL 75.A N VAL 31.A O no hydrogen 3.116 N/A ILE 76.A N TRP 43.A O no hydrogen 2.888 N/A SER 77.A N VAL 29.A O no hydrogen 2.977 N/A SER 77.A OG PRO 45.A O no hydrogen 2.816 N/A VAL 79.A N ALA 27.A O no hydrogen 2.856 N/A ARG 80.A NH1 GLY 48.A O no hydrogen 2.953 N/A ARG 80.A NH1 THR 49.A O no hydrogen 2.993 N/A ARG 80.A NH1 GLY 90.A O no hydrogen 3.141 N/A ARG 80.A NH2 GLY 90.A O no hydrogen 2.965 N/A CYS 82.A SG PRO 106.A O no hydrogen 4.008 N/A ALA 83.A N ARG 80.A O no hydrogen 2.984 N/A GLU 84.A N GLN 81.A O no hydrogen 2.987 N/A GLN 85.A NE2 ASP 18.A OD1 no hydrogen 3.170 N/A ASP 86.A N ALA 83.A O no hydrogen 3.106 N/A ASN 88.A N ASP 86.A OD1 no hydrogen 2.838 N/A LEU 89.A N ASP 86.A O no hydrogen 3.307 N/A CYS 94.A N ALA 91.A O no hydrogen 2.844 N/A ASN 95.A N GLY 92.A O no hydrogen 3.240 N/A GLY 98.A N THR 103.A O no hydrogen 2.853 N/A LYS 99.A NZ ASN 105.A OD1 no hydrogen 3.132 N/A TRP 102.A N LYS 99.A O no hydrogen 3.232 N/A THR 103.A N GLY 110.A O no hydrogen 2.991 N/A THR 103.A OG1 GLY 110.A O no hydrogen 2.955 N/A TRP 104.A NE1 THR 49.A OG1 no hydrogen 3.001 N/A ASN 105.A N GLY 96.A O no hydrogen 3.012 N/A ASN 105.A ND2 ALA 93.A O no hydrogen 2.890 N/A TRP 107.A NE1 VAL 47.A O no hydrogen 2.730 N/A ASN 108.A N ASP 127.A OD2 no hydrogen 2.726 N/A ASP 109.A N TRP 107.A O no hydrogen 2.665 N/A ARG 111.A N ARG 212.A O no hydrogen 3.048 N/A ARG 111.A NH2 GLY 189.A O no hydrogen 3.047 N/A ALA 112.A N GLY 101.A O no hydrogen 2.680 N/A SER 116.A N ASP 114.A OD1 no hydrogen 3.164 N/A SER 116.A OG ASP 114.A OD1 no hydrogen 2.563 N/A SER 116.A OG ASP 114.A OD2 no hydrogen 3.433 N/A GLY 117.A N ASP 114.A O no hydrogen 2.834 N/A ASP 118.A N ALA 115.A O no hydrogen 2.982 N/A LYS 119.A NZ SER 116.A O no hydrogen 3.148 N/A TYR 120.A N GLY 117.A O no hydrogen 2.882 N/A LYS 121.A N ASP 118.A O no hydrogen 2.971 N/A THR 122.A N LYS 119.A O no hydrogen 3.415 N/A ASP 123.A N LYS 119.A O no hydrogen 3.121 N/A GLY 125.A N ASP 123.A OD1 no hydrogen 2.864 N/A ARG 129.A N GLY 125.A O no hydrogen 3.406 N/A ARG 129.A NE ASP 22.A OD2 no hydrogen 2.840 N/A ARG 129.A NH1 ASP 123.A OD1 no hydrogen 2.741 N/A ARG 129.A NH2 ASP 123.A OD1 no hydrogen 3.459 N/A ARG 129.A NH2 ASP 126.A OD1 no hydrogen 2.905 N/A PHE 130.A N ASP 126.A O no hydrogen 2.956 N/A LEU 131.A N ASP 127.A O no hydrogen 3.037 N/A GLU 132.A N VAL 128.A O no hydrogen 3.408 N/A ALA 133.A N ARG 129.A O no hydrogen 3.027 N/A MET 134.A N PHE 130.A O no hydrogen 2.698 N/A VAL 135.A N LEU 131.A O no hydrogen 3.257 N/A ARG 136.A N GLU 132.A O no hydrogen 2.851 N/A ARG 136.A NE GLU 132.A OE2 no hydrogen 2.807 N/A ARG 136.A NH1 GLU 2.A O no hydrogen 2.798 N/A ARG 136.A NH1 GLU 2.A OE1 no hydrogen 2.713 N/A ARG 136.A NH2 GLU 132.A OE2 no hydrogen 3.128 N/A CYS 137.A N ALA 133.A O no hydrogen 2.863 N/A VAL 138.A N MET 134.A O no hydrogen 2.997 N/A GLY 139.A N VAL 135.A O no hydrogen 3.079 N/A THR 140.A N CYS 137.A O no hydrogen 2.934 N/A THR 140.A OG1 CYS 137.A O no hydrogen 2.824 N/A LYS 141.A N VAL 138.A O no hydrogen 2.943 N/A TRP 142.A N VAL 138.A O no hydrogen 3.169 N/A ASP 145.A N ALA 40.A O no hydrogen 2.757 N/A ARG 146.A NH1 ARG 146.A O no hydrogen 2.917 N/A ARG 146.A NH1 PHE 171.A O no hydrogen 2.871 N/A ARG 146.A NH2 GLU 170.A O no hydrogen 3.046 N/A LYS 147.A N ASP 145.A OD1 no hydrogen 2.817 N/A ARG 148.A N ASP 145.A O no hydrogen 2.857 N/A ARG 148.A NE ALA 297.A O no hydrogen 2.791 N/A ARG 148.A NH1 ASP 145.A OD2 no hydrogen 2.746 N/A ARG 148.A NH2 ALA 297.A O no hydrogen 3.483 N/A PHE 150.A N VAL 42.A O no hydrogen 2.855 N/A LEU 151.A N GLY 174.A O no hydrogen 3.254 N/A GLY 152.A N VAL 44.A O no hydrogen 3.020 N/A GLY 153.A N MET 176.A O no hydrogen 3.216 N/A ILE 154.A N MET 46.A O no hydrogen 3.082 N/A SER 155.A N ILE 178.A O no hydrogen 2.931 N/A SER 155.A OG HIS 278.A NE2 no hydrogen 2.782 N/A GLY 157.A N ILE 154.A O no hydrogen 2.855 N/A GLY 158.A N SER 155.A O no hydrogen 2.739 N/A THR 159.A N SER 155.A O no hydrogen 2.873 N/A THR 159.A OG1 SER 155.A O no hydrogen 3.177 N/A MET 160.A N ALA 156.A O no hydrogen 2.850 N/A THR 161.A N GLY 157.A O no hydrogen 3.006 N/A THR 161.A OG1 GLY 157.A O no hydrogen 2.861 N/A ASN 162.A N GLY 158.A O no hydrogen 2.905 N/A ASN 162.A ND2 GLU 181.A O no hydrogen 3.146 N/A ARG 163.A N THR 159.A O no hydrogen 2.849 N/A ARG 163.A NE ALA 124.A O no hydrogen 2.678 N/A ARG 163.A NH1 ARG 212.A O no hydrogen 3.447 N/A ARG 163.A NH1 VAL 213.A O no hydrogen 2.964 N/A ARG 163.A NH2 TYR 120.A O no hydrogen 2.975 N/A ARG 163.A NH2 ASP 123.A O no hydrogen 2.949 N/A ARG 163.A NH2 ALA 124.A O no hydrogen 3.481 N/A ALA 164.A N MET 160.A O no hydrogen 2.947 N/A LEU 165.A N THR 161.A O no hydrogen 2.901 N/A LEU 166.A N ASN 162.A O no hydrogen 3.065 N/A LEU 166.A N ARG 163.A O no hydrogen 3.143 N/A PHE 167.A N ARG 163.A O no hydrogen 2.896 N/A ASP 168.A N ALA 164.A O no hydrogen 2.790 N/A PHE 171.A N ASP 168.A O no hydrogen 3.103 N/A ALA 173.A N LEU 149.A O no hydrogen 2.778 N/A GLY 175.A N VAL 226.A O no hydrogen 3.007 N/A MET 176.A N LEU 151.A O no hydrogen 2.696 N/A ILE 178.A N GLY 153.A O no hydrogen 2.671 N/A SER 179.A N VAL 230.A O no hydrogen 2.828 N/A SER 179.A OG ASP 236.A OD1 no hydrogen 3.315 N/A SER 179.A OG ASP 236.A OD2 no hydrogen 2.443 N/A GLU 181.A N THR 159.A OG1 no hydrogen 2.761 N/A TRP 182.A N GLU 181.A OE1 no hydrogen 2.975 N/A TRP 182.A NE1 TRP 209.A O no hydrogen 2.816 N/A TYR 183.A N GLU 181.A OE1 no hydrogen 2.853 N/A TYR 183.A OH ASP 109.A OD1 no hydrogen 2.651 N/A THR 185.A N GLN 210.A O no hydrogen 3.046 N/A THR 185.A OG1 LYS 186.A O no hydrogen 2.857 N/A LYS 186.A N SER 190.A O no hydrogen 2.908 N/A LYS 186.A NZ GLU 196.A OE2 no hydrogen 3.457 N/A GLY 189.A N LYS 186.A O no hydrogen 2.725 N/A SER 190.A N ASP 188.A OD1 no hydrogen 3.052 N/A SER 190.A OG ASP 188.A OD1 no hydrogen 2.829 N/A THR 197.A N PRO 193.A O no hydrogen 2.915 N/A THR 197.A OG1 VAL 192.A O no hydrogen 2.801 N/A THR 197.A OG1 PRO 193.A O no hydrogen 3.002 N/A ARG 198.A N PHE 194.A O no hydrogen 2.851 N/A ARG 198.A NH1 GLN 195.A OE1 no hydrogen 2.658 N/A ARG 198.A NH2 ASP 249.A OD2 no hydrogen 3.055 N/A LYS 199.A N GLN 195.A O no hydrogen 3.034 N/A MET 200.A N GLU 196.A O no hydrogen 2.686 N/A VAL 201.A N THR 197.A O no hydrogen 3.238 N/A ALA 202.A N ARG 198.A O no hydrogen 3.057 N/A ALA 203.A N LYS 199.A O no hydrogen 2.858 N/A ALA 204.A N VAL 201.A O no hydrogen 2.966 N/A LYS 207.A N ALA 204.A O no hydrogen 3.256 N/A LYS 207.A NZ ASP 187.A OD1 no hydrogen 2.875 N/A LYS 207.A NZ ILE 208.A O no hydrogen 3.227 N/A TRP 209.A NE1 ALA 204.A O no hydrogen 3.128 N/A ARG 212.A N TYR 183.A O no hydrogen 2.872 N/A ARG 212.A NE ARG 111.A O no hydrogen 2.771 N/A ARG 212.A NH1 THR 191.A OG1 no hydrogen 3.117 N/A ARG 212.A NH2 THR 103.A OG1 no hydrogen 2.963 N/A VAL 213.A N TRP 182.A O no hydrogen 3.461 N/A GLY 214.A N GLY 211.A O no hydrogen 3.249 N/A TYR 216.A N LYS 121.A O no hydrogen 2.919 N/A TYR 216.A OH ASP 187.A O no hydrogen 2.663 N/A LEU 218.A N GLN 210.A OE1 no hydrogen 2.894 N/A ASP 223.A N SER 169.A OG no hydrogen 3.023 N/A VAL 226.A N ALA 173.A O no hydrogen 2.906 N/A VAL 227.A N VAL 268.A O no hydrogen 2.722 N/A ILE 228.A N GLY 175.A O no hydrogen 2.943 N/A THR 229.A N VAL 270.A O no hydrogen 2.839 N/A THR 229.A OG1 HIS 269.A NE2 no hydrogen 2.682 N/A VAL 230.A N PRO 177.A O no hydrogen 3.130 N/A TRP 231.A N CYS 272.A O no hydrogen 3.001 N/A GLY 232.A N ASP 236.A OD2 no hydrogen 2.784 N/A ASP 236.A N GLY 233.A O no hydrogen 2.850 N/A LEU 237.A N LYS 235.A O no hydrogen 2.814 N/A TRP 238.A N SER 248.A O no hydrogen 2.831 N/A CYS 240.A N GLY 245.A O no hydrogen 3.128 N/A CYS 240.A SG GLY 241.A O no hydrogen 3.839 N/A CYS 240.A SG GLY 245.A O no hydrogen 3.839 N/A GLY 241.A N ASP 239.A OD1 no hydrogen 2.996 N/A GLY 245.A N GLY 241.A O no hydrogen 2.812 N/A CYS 247.A N TRP 238.A O no hydrogen 2.988 N/A CYS 247.A SG GLY 245.A O no hydrogen 3.660 N/A SER 248.A N TRP 238.A O no hydrogen 3.373 N/A SER 248.A OG GLU 181.A OE2 no hydrogen 2.790 N/A TYR 250.A N ASP 236.A O no hydrogen 3.157 N/A ARG 251.A N ASP 249.A OD1 no hydrogen 2.907 N/A ARG 251.A NH1 HIS 327.A O no hydrogen 2.789 N/A ARG 251.A NH2 GLU 234.A OE2 no hydrogen 2.676 N/A THR 253.A OG1 GLY 180.A O no hydrogen 2.832 N/A THR 254.A N TYR 250.A O no hydrogen 3.154 N/A THR 254.A OG1 TYR 250.A O no hydrogen 2.764 N/A THR 254.A OG1 ARG 251.A O no hydrogen 3.442 N/A THR 254.A OG1 HIS 327.A NE2 no hydrogen 2.832 N/A GLN 255.A N ARG 251.A O no hydrogen 2.985 N/A GLN 255.A NE2 GLN 255.A O no hydrogen 3.541 N/A GLN 255.A NE2 ASN 259.A OD1 no hydrogen 2.908 N/A GLN 255.A NE2 PHE 324.A O no hydrogen 3.060 N/A ALA 256.A N PRO 252.A O no hydrogen 2.844 N/A SER 257.A N THR 253.A O no hydrogen 3.083 N/A SER 257.A OG THR 253.A O no hydrogen 3.393 N/A SER 257.A OG THR 254.A O no hydrogen 3.221 N/A SER 258.A N THR 254.A O no hydrogen 2.955 N/A SER 258.A OG THR 254.A O no hydrogen 3.332 N/A SER 258.A OG GLN 255.A O no hydrogen 2.890 N/A ASN 259.A N GLN 255.A O no hydrogen 2.872 N/A ASN 259.A ND2 PRO 205.A O no hydrogen 2.822 N/A ASN 259.A ND2 LYS 207.A O no hydrogen 2.921 N/A TYR 260.A N ALA 256.A O no hydrogen 3.170 N/A TYR 260.A OH PRO 219.A O no hydrogen 2.713 N/A PHE 261.A N SER 257.A O no hydrogen 3.138 N/A SER 262.A N SER 258.A O no hydrogen 2.971 N/A SER 262.A OG SER 258.A O no hydrogen 2.833 N/A SER 263.A N TYR 260.A O no hydrogen 2.960 N/A SER 263.A OG TYR 260.A O no hydrogen 2.545 N/A ILE 264.A N PHE 261.A O no hydrogen 3.301 N/A ASN 266.A ND2 LEU 222.A O no hydrogen 2.611 N/A VAL 267.A N ILE 264.A O no hydrogen 2.982 N/A VAL 268.A N MET 225.A O no hydrogen 2.845 N/A HIS 269.A ND1 GLY 322.A O no hydrogen 2.797 N/A HIS 269.A NE2 THR 229.A OG1 no hydrogen 2.682 N/A VAL 270.A N VAL 227.A O no hydrogen 2.691 N/A ALA 271.A N LYS 320.A O no hydrogen 2.870 N/A CYS 272.A N THR 229.A O no hydrogen 2.928 N/A SER 273.A N SER 318.A O no hydrogen 2.847 N/A SER 273.A OG ASP 326.A OD1 no hydrogen 3.335 N/A SER 273.A OG ASP 326.A OD2 no hydrogen 2.509 N/A ALA 274.A N TRP 231.A O no hydrogen 2.862 N/A GLY 277.A N GLY 232.A O no hydrogen 2.884 N/A HIS 278.A ND1 ASP 236.A OD1 no hydrogen 2.594 N/A HIS 278.A NE2 SER 155.A OG no hydrogen 2.782 N/A TRP 280.A NE1 ASN 289.A OD1 no hydrogen 2.886 N/A GLN 282.A NE2 ARG 61.A O no hydrogen 2.807 N/A GLN 282.A NE2 TRP 280.A O no hydrogen 2.940 N/A ASN 284.A ND2 GLU 315.A O no hydrogen 2.869 N/A THR 285.A OG1 PRO 281.A O no hydrogen 2.736 N/A PHE 288.A N ASN 284.A O no hydrogen 2.783 N/A ASN 289.A N THR 285.A O no hydrogen 2.924 N/A ASN 289.A ND2 GLY 63.A O no hydrogen 2.909 N/A LEU 290.A N ASP 286.A O no hydrogen 3.124 N/A TRP 291.A N ALA 287.A O no hydrogen 2.862 N/A TRP 291.A NE1 THR 311.A OG1 no hydrogen 3.074 N/A ALA 292.A N PHE 288.A O no hydrogen 2.741 N/A LEU 293.A N ASN 289.A O no hydrogen 2.965 N/A ASN 294.A N LEU 290.A O no hydrogen 2.924 N/A THR 295.A N TRP 291.A O no hydrogen 2.899 N/A THR 295.A OG1 TRP 291.A O no hydrogen 2.800 N/A MET 296.A N ALA 292.A O no hydrogen 2.968 N/A ALA 297.A N LEU 293.A O no hydrogen 2.739 N/A SER 298.A N THR 295.A O no hydrogen 3.191 N/A SER 298.A OG THR 295.A O no hydrogen 2.686 N/A HIS 299.A N MET 296.A O no hydrogen 2.956 N/A LYS 301.A N LYS 147.A O no hydrogen 2.722 N/A LYS 301.A NZ SER 169.A O no hydrogen 2.624 N/A LYS 301.A NZ TRP 172.A O no hydrogen 2.725 N/A LYS 301.A NZ PRO 224.A O no hydrogen 2.591 N/A SER 303.A N PRO 300.A O no hydrogen 2.960 N/A SER 303.A OG PRO 300.A O no hydrogen 2.676 N/A ASP 307.A N SER 304.A O no hydrogen 2.884 N/A PHE 308.A N PRO 305.A O no hydrogen 3.084 N/A TYR 317.A OH VAL 283.A O no hydrogen 2.591 N/A SER 318.A N SER 273.A O no hydrogen 3.020 N/A LYS 320.A N ALA 271.A O no hydrogen 2.991 N/A LYS 320.A NZ ILE 321.A O no hydrogen 3.163 N/A LYS 320.A NZ ARG 323.A O no hydrogen 2.688 N/A GLY 322.A N HIS 269.A O no hydrogen 2.862 N/A ARG 323.A NE ASN 259.A OD1 no hydrogen 2.833 N/A ARG 323.A NH2 PRO 205.A O no hydrogen 2.853 N/A PHE 324.A N SER 258.A OG no hydrogen 2.964 N/A HIS 327.A ND1 ASP 326.A OD1 no hydrogen 2.601 N/A HIS 327.A NE2 THR 254.A OG1 no hydrogen 2.832 N/A