Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wcb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ASP 1.A O no hydrogen 2.778 N/A PHE 6.A N GLU 2.A O no hydrogen 3.307 N/A PHE 6.A N ASP 3.A O no hydrogen 2.924 N/A CYS 7.A N ASP 3.A O no hydrogen 3.089 N/A CYS 7.A SG ASP 3.A O no hydrogen 3.384 N/A TYR 8.A N LEU 4.A O no hydrogen 3.437 N/A TYR 8.A OH ASP 31.A OD1 no hydrogen 2.895 N/A ASP 9.A N ARG 5.A O no hydrogen 3.255 N/A ILE 10.A N PHE 6.A O no hydrogen 2.797 N/A LEU 11.A N CYS 7.A O no hydrogen 2.857 N/A GLN 12.A N TYR 8.A O no hydrogen 3.004 N/A ALA 13.A N ILE 10.A O no hydrogen 3.196 N/A VAL 14.A N ILE 10.A O no hydrogen 2.860 N/A SER 15.A N LEU 11.A O no hydrogen 2.860 N/A ALA 19.A N SER 15.A OG no hydrogen 2.886 N/A VAL 20.A N SER 17.A O no hydrogen 3.233 N/A ILE 22.A N PHE 18.A O no hydrogen 2.925 N/A MET 23.A N VAL 20.A O no hydrogen 3.405 N/A GLU 24.A N VAL 21.A O no hydrogen 3.115 N/A LEU 25.A N ILE 22.A O no hydrogen 2.701 N/A ARG 30.A NE TYR 8.A OH no hydrogen 3.462 N/A ALA 32.A N GLU 28.A O no hydrogen 2.589 N/A VAL 33.A N MET 29.A O no hydrogen 2.560 N/A CYS 34.A N ARG 30.A O no hydrogen 2.683 N/A ILE 35.A N ASP 31.A O no hydrogen 2.740 N/A PHE 36.A N ALA 32.A O no hydrogen 2.674 N/A TYR 37.A N VAL 33.A O no hydrogen 2.944 N/A LEU 38.A N CYS 34.A O no hydrogen 3.073 N/A VAL 39.A N ILE 35.A O no hydrogen 2.893 N/A LEU 40.A N PHE 36.A O no hydrogen 3.229 N/A ARG 41.A N TYR 37.A O no hydrogen 2.718 N/A ARG 41.A NH2 GLU 83.A OE1 no hydrogen 3.072 N/A ALA 42.A N LEU 38.A O no hydrogen 2.885 N/A LEU 43.A N VAL 39.A O no hydrogen 3.078 N/A ASP 44.A N LEU 40.A O no hydrogen 2.887 N/A THR 45.A N ARG 41.A O no hydrogen 3.184 N/A THR 45.A OG1 ARG 41.A O no hydrogen 2.895 N/A VAL 46.A N ALA 42.A O no hydrogen 3.464 N/A GLU 47.A N LEU 43.A O no hydrogen 3.134 N/A ASP 48.A N ASP 44.A O no hydrogen 2.832 N/A ASP 49.A N THR 45.A O no hydrogen 3.015 N/A SER 51.A N ASP 49.A OD1 no hydrogen 2.800 N/A SER 51.A OG ASP 49.A OD1 no hydrogen 2.428 N/A ILE 52.A N ASP 49.A OD1 no hydrogen 3.266 N/A GLU 55.A N GLU 55.A OE1 no hydrogen 2.565 N/A LYS 57.A N PRO 53.A O no hydrogen 3.488 N/A LYS 57.A NZ GLU 47.A O no hydrogen 3.126 N/A LYS 57.A NZ ASP 49.A O no hydrogen 2.797 N/A LEU 58.A N VAL 54.A O no hydrogen 3.061 N/A ARG 59.A N PHE 56.A O no hydrogen 2.808 N/A GLU 60.A N PHE 56.A O no hydrogen 2.789 N/A LEU 61.A N LYS 57.A O no hydrogen 2.860 N/A LYS 63.A N GLU 60.A O no hydrogen 3.136 N/A PHE 64.A N LEU 61.A O no hydrogen 2.864 N/A GLU 66.A N LYS 63.A O no hydrogen 3.095 N/A HIS 67.A N PHE 64.A O no hydrogen 3.214 N/A LEU 68.A N HIS 65.A O no hydrogen 2.825 N/A HIS 69.A N GLU 66.A O no hydrogen 2.934 N/A ASP 70.A N HIS 67.A O no hydrogen 2.988 N/A THR 72.A N ASP 70.A OD1 no hydrogen 3.354 N/A THR 72.A OG1 ASP 70.A OD1 no hydrogen 2.896 N/A THR 72.A OG1 ASP 70.A OD2 no hydrogen 3.244 N/A TRP 73.A N ASP 70.A O no hydrogen 3.439 N/A MET 75.A N LEU 87.A O no hydrogen 2.874 N/A ARG 84.A N GLY 81.A O no hydrogen 3.096 N/A LEU 86.A N ARG 82.A O no hydrogen 2.800 N/A LEU 87.A N GLU 83.A O no hydrogen 3.246 N/A GLU 88.A N ARG 84.A O no hydrogen 2.945 N/A ARG 89.A N GLU 85.A O no hydrogen 2.881 N/A ARG 89.A NH1 GLU 85.A OE2 no hydrogen 3.131 N/A TYR 90.A N LEU 87.A O no hydrogen 3.344 N/A THR 94.A N TYR 90.A O no hydrogen 3.186 N/A THR 94.A OG1 THR 91.A O no hydrogen 2.652 N/A ARG 95.A N THR 91.A O no hydrogen 2.711 N/A ALA 96.A N HIS 92.A O no hydrogen 2.852 N/A TYR 97.A N VAL 93.A O no hydrogen 2.754 N/A TYR 97.A OH GLN 105.A O no hydrogen 2.975 N/A SER 98.A N THR 94.A O no hydrogen 2.963 N/A SER 98.A OG THR 94.A O no hydrogen 3.449 N/A SER 98.A OG ARG 95.A O no hydrogen 2.476 N/A ARG 99.A N ALA 96.A O no hydrogen 2.980 N/A ARG 99.A NH2 ASP 3.A OD2 no hydrogen 3.488 N/A LEU 100.A N TYR 97.A O no hydrogen 2.956 N/A LYS 102.A NZ ASP 106.A OD1 no hydrogen 2.746 N/A LYS 102.A NZ ASP 106.A OD2 no hydrogen 2.876 N/A GLN 105.A N GLY 101.A O no hydrogen 2.814 N/A GLN 105.A NE2 LEU 100.A O no hydrogen 3.080 N/A ASP 106.A N LYS 102.A O no hydrogen 2.818 N/A VAL 107.A N ALA 103.A O no hydrogen 3.332 N/A ILE 108.A N TYR 104.A O no hydrogen 3.082 N/A SER 109.A N GLN 105.A O no hydrogen 2.791 N/A GLY 110.A N ASP 106.A O no hydrogen 2.852 N/A ILE 111.A N VAL 107.A O no hydrogen 2.963 N/A CYS 112.A N ILE 108.A O no hydrogen 2.855 N/A GLU 113.A N SER 109.A O no hydrogen 3.177 N/A ARG 114.A N GLY 110.A O no hydrogen 3.103 N/A MET 115.A N ILE 111.A O no hydrogen 2.963 N/A ALA 116.A N CYS 112.A O no hydrogen 2.836 N/A ASN 117.A N GLU 113.A O no hydrogen 2.848 N/A GLY 118.A N ARG 114.A O no hydrogen 3.067 N/A MET 119.A N MET 115.A O no hydrogen 2.843 N/A CYS 120.A N ALA 116.A O no hydrogen 3.003 N/A CYS 120.A SG LYS 57.A O no hydrogen 3.829 N/A CYS 120.A SG ALA 116.A O no hydrogen 3.128 N/A ASP 121.A N ASN 117.A O no hydrogen 3.181 N/A ASP 121.A N GLY 118.A O no hydrogen 3.140 N/A PHE 122.A N GLY 118.A O no hydrogen 3.435 N/A LEU 123.A N CYS 120.A O no hydrogen 3.440 N/A ARG 125.A NE ASP 121.A OD2 no hydrogen 2.821 N/A GLU 128.A N ASP 132.A OD1 no hydrogen 3.262 N/A THR 129.A N ASP 132.A OD1 no hydrogen 3.338 N/A LYS 130.A N GLU 201.A OE1 no hydrogen 2.805 N/A ASP 132.A N THR 129.A OG1 no hydrogen 3.136 N/A TYR 133.A N THR 129.A O no hydrogen 3.092 N/A ASP 134.A N LYS 130.A O no hydrogen 2.924 N/A LEU 135.A N ALA 131.A O no hydrogen 2.926 N/A TYR 136.A N ASP 132.A O no hydrogen 2.859 N/A CYS 137.A N TYR 133.A O no hydrogen 3.086 N/A CYS 137.A SG TYR 133.A O no hydrogen 3.207 N/A HIS 138.A N ASP 134.A O no hydrogen 3.071 N/A HIS 138.A ND1 ASN 170.A OD1 no hydrogen 2.682 N/A TYR 139.A N LEU 135.A O no hydrogen 2.922 N/A VAL 140.A N TYR 136.A O no hydrogen 3.072 N/A ALA 141.A N CYS 137.A O no hydrogen 2.976 N/A GLY 142.A N CYS 137.A O no hydrogen 2.659 N/A LEU 143.A N HIS 138.A O no hydrogen 2.661 N/A VAL 144.A N ALA 141.A O no hydrogen 3.022 N/A GLY 145.A N ALA 141.A O no hydrogen 3.253 N/A GLY 145.A N GLY 142.A O no hydrogen 3.069 N/A HIS 146.A N GLY 142.A O no hydrogen 3.308 N/A GLY 147.A N LEU 143.A O no hydrogen 2.830 N/A LEU 148.A N VAL 144.A O no hydrogen 3.076 N/A THR 149.A N GLY 145.A O no hydrogen 3.001 N/A THR 149.A OG1 GLY 145.A O no hydrogen 2.632 N/A THR 149.A OG1 TYR 243.A OH no hydrogen 2.750 N/A LEU 150.A N HIS 146.A O no hydrogen 2.775 N/A LEU 151.A N GLY 147.A O no hydrogen 2.846 N/A TYR 152.A N LEU 148.A O no hydrogen 2.897 N/A TYR 152.A OH SER 256.A OG no hydrogen 2.907 N/A VAL 153.A N THR 149.A O no hydrogen 3.407 N/A SER 154.A N LEU 150.A O no hydrogen 2.964 N/A SER 155.A N LEU 151.A O no hydrogen 2.965 N/A SER 155.A OG LEU 151.A O no hydrogen 3.174 N/A SER 155.A OG TYR 152.A O no hydrogen 2.709 N/A GLY 156.A N VAL 153.A O no hydrogen 2.973 N/A LEU 157.A N SER 155.A OG no hydrogen 3.404 N/A ARG 161.A N ASP 159.A OD2 no hydrogen 2.968 N/A LEU 162.A N ASP 159.A O no hydrogen 3.128 N/A ALA 163.A N VAL 160.A O no hydrogen 3.293 N/A ASP 164.A N ARG 161.A O no hydrogen 2.977 N/A THR 167.A N ASP 165.A OD1 no hydrogen 2.821 N/A THR 167.A OG1 ASP 165.A OD1 no hydrogen 2.545 N/A ASN 170.A N LEU 166.A O no hydrogen 3.170 N/A ASN 170.A N THR 167.A O no hydrogen 3.004 N/A HIS 171.A N THR 167.A O no hydrogen 3.126 N/A HIS 171.A ND1 HIS 236.A ND1 no hydrogen 3.027 N/A MET 172.A N ASN 168.A O no hydrogen 2.973 N/A LEU 174.A N ASN 170.A O no hydrogen 2.932 N/A PHE 175.A N HIS 171.A O no hydrogen 3.064 N/A GLN 177.A N GLY 173.A O no hydrogen 2.909 N/A LYS 178.A N LEU 174.A O no hydrogen 2.938 N/A LYS 178.A NZ ASP 134.A OD1 no hydrogen 3.327 N/A LYS 178.A NZ ASP 232.A OD1 no hydrogen 3.464 N/A LYS 178.A NZ ASP 232.A OD2 no hydrogen 3.158 N/A LYS 178.A NZ HIS 236.A NE2 no hydrogen 2.884 N/A THR 179.A N PHE 175.A O no hydrogen 3.174 N/A THR 179.A OG1 PHE 175.A O no hydrogen 2.632 N/A ASN 180.A N LEU 176.A O no hydrogen 3.072 N/A ILE 181.A N GLN 177.A O no hydrogen 2.926 N/A ILE 182.A N LYS 178.A O no hydrogen 2.815 N/A ARG 183.A N THR 179.A O no hydrogen 2.839 N/A ARG 183.A NE ASP 184.A OD1 no hydrogen 2.769 N/A ARG 183.A NH1 VAL 281.A O no hydrogen 3.337 N/A ASP 184.A N ASN 180.A O no hydrogen 2.648 N/A ASP 188.A N ASP 184.A O no hydrogen 3.120 N/A ILE 189.A N PHE 185.A O no hydrogen 2.969 N/A CYS 190.A SG TYR 186.A O no hydrogen 2.926 N/A GLU 191.A N ASP 188.A O no hydrogen 3.336 N/A ARG 195.A N ASP 188.A O no hydrogen 2.906 N/A ARG 195.A NE ASP 48.A OD1 no hydrogen 2.583 N/A ARG 195.A NH2 ASP 48.A O no hydrogen 2.779 N/A TRP 198.A NE1 ILE 181.A O no hydrogen 2.955 N/A ARG 200.A N VAL 127.A O no hydrogen 3.463 N/A ARG 200.A NE GLU 128.A OE1 no hydrogen 2.743 N/A GLU 201.A N GLU 128.A O no hydrogen 2.893 N/A ILE 202.A N PRO 199.A O no hydrogen 2.907 N/A TRP 203.A N PRO 199.A O no hydrogen 3.221 N/A GLU 204.A N ARG 200.A O no hydrogen 2.937 N/A LYS 205.A NZ ILE 202.A O no hydrogen 3.308 N/A LYS 205.A NZ TYR 206.A OH no hydrogen 3.439 N/A THR 207.A N TRP 203.A O no hydrogen 3.148 N/A THR 207.A OG1 ASP 209.A O no hydrogen 2.621 N/A ALA 212.A N ASP 209.A O no hydrogen 3.174 N/A PHE 213.A N LEU 210.A O no hydrogen 3.258 N/A LYS 214.A N HIS 211.A O no hydrogen 2.972 N/A ASP 215.A N ALA 212.A O no hydrogen 2.976 N/A LEU 217.A N ASP 215.A OD2 no hydrogen 2.974 N/A HIS 218.A N ASP 215.A O no hydrogen 2.958 N/A GLU 219.A N GLU 216.A O no hydrogen 2.965 N/A ALA 222.A N HIS 218.A O no hydrogen 2.899 N/A VAL 223.A N GLU 219.A O no hydrogen 2.878 N/A GLU 224.A N ALA 220.A O no hydrogen 3.308 N/A CYS 225.A N LYS 221.A O no hydrogen 2.914 N/A LEU 226.A N ALA 222.A O no hydrogen 2.897 N/A ASN 227.A N VAL 223.A O no hydrogen 2.909 N/A ASN 227.A ND2 ASN 272.A OD1 no hydrogen 3.396 N/A ALA 228.A N GLU 224.A O no hydrogen 3.017 N/A MET 229.A N CYS 225.A O no hydrogen 2.927 N/A MET 229.A N LEU 226.A O no hydrogen 3.088 N/A VAL 230.A N LEU 226.A O no hydrogen 3.066 N/A ALA 231.A N ASN 227.A O no hydrogen 3.075 N/A ASP 232.A N ALA 228.A O no hydrogen 3.196 N/A ALA 233.A N MET 229.A O no hydrogen 3.055 N/A ALA 233.A N VAL 230.A O no hydrogen 2.789 N/A LEU 234.A N VAL 230.A O no hydrogen 2.844 N/A HIS 236.A N ALA 233.A O no hydrogen 3.118 N/A HIS 236.A ND1 HIS 171.A ND1 no hydrogen 3.027 N/A VAL 237.A N LEU 234.A O no hydrogen 3.185 N/A VAL 240.A N HIS 236.A O no hydrogen 2.905 N/A VAL 241.A N VAL 237.A O no hydrogen 2.930 N/A GLU 242.A N PRO 238.A O no hydrogen 3.167 N/A TYR 243.A N HIS 239.A O no hydrogen 2.994 N/A TYR 243.A OH THR 149.A OG1 no hydrogen 2.750 N/A LEU 244.A N VAL 240.A O no hydrogen 3.084 N/A ALA 245.A N VAL 241.A O no hydrogen 2.791 N/A SER 246.A N TYR 243.A O no hydrogen 2.994 N/A SER 246.A OG GLU 242.A O no hydrogen 3.396 N/A SER 246.A OG TYR 243.A O no hydrogen 2.603 N/A LEU 247.A N LEU 244.A O no hydrogen 3.394 N/A ARG 248.A N GLU 158.A OE1 no hydrogen 3.184 N/A ARG 248.A N GLU 158.A OE2 no hydrogen 3.037 N/A ARG 248.A NE LEU 157.A O no hydrogen 3.191 N/A ARG 248.A NH2 GLY 156.A O no hydrogen 3.376 N/A ASP 249.A N GLU 158.A OE2 no hydrogen 2.754 N/A SER 251.A OG ASP 26.A OD1 no hydrogen 3.372 N/A VAL 252.A N ASP 249.A OD1 no hydrogen 3.120 N/A PHE 253.A N ASP 249.A O no hydrogen 2.901 N/A THR 254.A N PRO 250.A O no hydrogen 3.016 N/A THR 254.A OG1 GLU 24.A OE1 no hydrogen 3.554 N/A THR 254.A OG1 PRO 250.A O no hydrogen 3.501 N/A THR 254.A OG1 SER 251.A O no hydrogen 2.782 N/A PHE 255.A N SER 251.A O no hydrogen 3.018 N/A SER 256.A N VAL 252.A O no hydrogen 3.022 N/A SER 256.A N PHE 253.A O no hydrogen 2.779 N/A SER 256.A OG TYR 152.A OH no hydrogen 2.907 N/A SER 256.A OG VAL 252.A O no hydrogen 2.722 N/A ALA 257.A N PHE 253.A O no hydrogen 2.579 N/A ILE 258.A N THR 254.A O no hydrogen 2.921 N/A GLN 260.A NE2 MET 172.A O no hydrogen 3.238 N/A VAL 261.A N ALA 257.A O no hydrogen 2.945 N/A MET 262.A N ILE 258.A O no hydrogen 2.873 N/A ALA 263.A N PRO 259.A O no hydrogen 2.967 N/A MET 264.A N GLN 260.A O no hydrogen 2.926 N/A ALA 265.A N VAL 261.A O no hydrogen 2.989 N/A THR 266.A N MET 262.A O no hydrogen 3.028 N/A THR 266.A OG1 MET 262.A O no hydrogen 2.949 N/A LEU 267.A N ALA 263.A O no hydrogen 2.783 N/A SER 268.A N MET 264.A O no hydrogen 3.119 N/A SER 268.A OG MET 264.A O no hydrogen 3.368 N/A SER 268.A OG ALA 265.A O no hydrogen 2.670 N/A LEU 269.A N THR 266.A O no hydrogen 3.147 N/A VAL 270.A N THR 266.A O no hydrogen 3.049 N/A PHE 271.A N LEU 267.A O no hydrogen 3.022 N/A ASN 272.A ND2 ARG 315.A O no hydrogen 2.932 N/A ASN 273.A N VAL 270.A O no hydrogen 2.974 N/A ASN 273.A ND2 LEU 269.A O no hydrogen 2.908 N/A ASP 275.A N ASN 273.A OD1 no hydrogen 2.593 N/A HIS 278.A N ASP 275.A O no hydrogen 3.138 N/A HIS 278.A NE2 ASP 275.A OD1 no hydrogen 2.805 N/A ALA 287.A N THR 284.A OG1 no hydrogen 2.800 N/A THR 288.A N THR 284.A O no hydrogen 3.133 N/A ALA 289.A N ARG 285.A O no hydrogen 2.858 N/A ARG 290.A N GLY 286.A O no hydrogen 2.978 N/A ILE 291.A N ALA 287.A O no hydrogen 3.121 N/A PHE 292.A N THR 288.A O no hydrogen 2.948 N/A HIS 293.A N ALA 289.A O no hydrogen 3.161 N/A TYR 294.A N ARG 290.A O no hydrogen 2.874 N/A SER 295.A N ILE 291.A O no hydrogen 2.977 N/A SER 295.A OG ILE 291.A O no hydrogen 2.897 N/A THR 296.A N TYR 294.A O no hydrogen 2.745 N/A GLN 299.A NE2 HIS 340.A O no hydrogen 3.076 N/A THR 301.A N GLU 297.A O no hydrogen 3.362 N/A THR 301.A OG1 LEU 298.A O no hydrogen 2.709 N/A LEU 302.A N LEU 298.A O no hydrogen 2.864 N/A GLN 303.A N GLN 299.A O no hydrogen 3.277 N/A MET 304.A N ALA 300.A O no hydrogen 3.152 N/A LEU 305.A N THR 301.A O no hydrogen 3.139 N/A LYS 306.A N LEU 302.A O no hydrogen 2.902 N/A LYS 306.A NZ GLN 341.A OE1 no hydrogen 2.834 N/A THR 307.A N GLN 303.A O no hydrogen 3.157 N/A THR 307.A OG1 GLN 303.A O no hydrogen 2.527 N/A TYR 308.A N MET 304.A O no hydrogen 2.890 N/A THR 309.A N LEU 305.A O no hydrogen 2.752 N/A THR 309.A OG1 LEU 305.A O no hydrogen 3.244 N/A THR 309.A OG1 LYS 306.A O no hydrogen 2.819 N/A LEU 310.A N LYS 306.A O no hydrogen 2.992 N/A ARG 311.A N THR 307.A O no hydrogen 2.898 N/A LEU 312.A N TYR 308.A O no hydrogen 2.926 N/A ALA 313.A N THR 309.A O no hydrogen 3.046 N/A ALA 314.A N LEU 310.A O no hydrogen 2.787 N/A ARG 315.A N LEU 312.A O no hydrogen 3.409 N/A ARG 315.A NH2 PHE 271.A O no hydrogen 2.853 N/A ASN 317.A N ASP 320.A OD2 no hydrogen 3.069 N/A TYR 323.A N ASP 320.A O no hydrogen 2.951 N/A ILE 326.A N CYS 322.A O no hydrogen 2.748 N/A GLU 327.A N TYR 323.A O no hydrogen 2.897 N/A HIS 328.A N ASP 324.A O no hydrogen 3.320 N/A VAL 330.A N ILE 326.A O no hydrogen 2.811 N/A ASN 331.A N GLU 327.A O no hydrogen 3.084 N/A ASP 332.A N HIS 328.A O no hydrogen 3.163 N/A ALA 333.A N LEU 329.A O no hydrogen 3.202 N/A ILE 334.A N VAL 330.A O no hydrogen 3.040 N/A ARG 335.A N ASN 331.A O no hydrogen 2.785 N/A ALA 336.A N ASP 332.A O no hydrogen 2.878 N/A MET 337.A N ALA 333.A O no hydrogen 2.783 N/A GLU 338.A N ILE 334.A O no hydrogen 2.684 N/A SER 339.A N ARG 335.A O no hydrogen 3.095 N/A HIS 340.A N MET 337.A O no hydrogen 2.984 N/A HIS 340.A NE2 GLU 242.A OE2 no hydrogen 2.654 N/A GLN 341.A N GLU 338.A O no hydrogen 2.899 N/A