Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1bxg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N SER 1.A O no hydrogen 2.791 N/A LEU 6.A N ILE 2.A O no hydrogen 2.652 N/A ASN 7.A N SER 4.A O no hydrogen 3.023 N/A GLU 11.A N ASP 30.A O no hydrogen 3.429 N/A MET 12.A N LEU 29.A O no hydrogen 3.158 N/A VAL 14.A N ILE 27.A O no hydrogen 2.770 N/A ARG 16.A N PHE 25.A O no hydrogen 3.040 N/A ARG 16.A NH1 GLU 104.A OE1 no hydrogen 3.054 N/A ARG 16.A NH1 ASN 105.A OD1 no hydrogen 3.224 N/A ASP 18.A N ALA 23.A O no hydrogen 2.843 N/A THR 21.A N ASP 18.A OD2 no hydrogen 2.920 N/A THR 21.A OG1 ASP 18.A OD2 no hydrogen 2.520 N/A GLY 22.A N ASP 18.A O no hydrogen 2.560 N/A ALA 23.A N THR 21.A OG1 no hydrogen 3.359 N/A HIS 24.A N ALA 82.A O no hydrogen 3.087 N/A PHE 25.A N ARG 16.A O no hydrogen 2.765 N/A VAL 26.A N VAL 80.A O no hydrogen 2.936 N/A ILE 27.A N VAL 14.A O no hydrogen 3.034 N/A ARG 28.A N LYS 78.A O no hydrogen 2.815 N/A ARG 28.A NE THR 13.A OG1 no hydrogen 3.022 N/A ARG 28.A NH1 ALA 5.A O no hydrogen 3.066 N/A ARG 28.A NH1 LEU 53.A O no hydrogen 3.131 N/A ARG 28.A NH2 ALA 5.A O no hydrogen 2.600 N/A LEU 29.A N MET 12.A O no hydrogen 2.665 N/A ASP 30.A N GLY 76.A O no hydrogen 2.796 N/A SER 31.A N GLY 76.A O no hydrogen 3.266 N/A THR 32.A N GLU 11.A OE2 no hydrogen 3.182 N/A THR 32.A OG1 GLU 11.A OE1 no hydrogen 2.827 N/A THR 32.A OG1 GLU 11.A OE2 no hydrogen 3.473 N/A ALA 37.A N ASN 112.A O no hydrogen 2.812 N/A ALA 38.A N GLY 75.A O no hydrogen 3.223 N/A GLY 39.A N TRP 114.A O no hydrogen 3.248 N/A THR 41.A N GLY 116.A O no hydrogen 2.593 N/A THR 41.A OG1 HIS 102.A NE2 no hydrogen 2.997 N/A THR 41.A OG1 THR 115.A OG1 no hydrogen 2.567 N/A ARG 42.A N SER 79.A O no hydrogen 2.986 N/A ALA 43.A N VAL 119.A O no hydrogen 2.913 N/A ALA 44.A N ILE 81.A O no hydrogen 2.919 N/A TYR 46.A OH ASP 55.A OD2 no hydrogen 2.600 N/A ASP 51.A N GLN 48.A O no hydrogen 3.161 N/A ALA 52.A N GLN 48.A O no hydrogen 3.308 N/A LEU 53.A N LEU 49.A O no hydrogen 2.992 N/A THR 54.A N ALA 50.A O no hydrogen 2.832 N/A ASP 55.A N ASP 51.A O no hydrogen 3.078 N/A ALA 56.A N ALA 52.A O no hydrogen 2.989 N/A GLY 57.A N LEU 53.A O no hydrogen 3.310 N/A LYS 58.A N THR 54.A O no hydrogen 2.807 N/A LEU 59.A N ASP 55.A O no hydrogen 2.763 N/A ALA 60.A N ALA 56.A O no hydrogen 2.824 N/A GLY 61.A N GLY 57.A O no hydrogen 2.827 N/A ALA 62.A N LYS 58.A O no hydrogen 3.255 N/A MET 63.A N LEU 59.A O no hydrogen 3.096 N/A THR 64.A N ALA 60.A O no hydrogen 3.229 N/A THR 64.A OG1 ASP 30.A OD2 no hydrogen 2.731 N/A THR 64.A OG1 ALA 60.A O no hydrogen 3.499 N/A LEU 65.A N ALA 62.A O no hydrogen 3.098 N/A LYS 66.A N ALA 62.A O no hydrogen 2.863 N/A LYS 66.A NZ ASN 262.A OD1 no hydrogen 3.199 N/A LYS 66.A NZ ASN 288.A OD1 no hydrogen 2.723 N/A MET 67.A N MET 63.A O no hydrogen 2.918 N/A ALA 68.A N THR 64.A O no hydrogen 3.446 N/A VAL 69.A N LEU 65.A O no hydrogen 2.819 N/A SER 70.A N LYS 66.A O no hydrogen 2.982 N/A SER 70.A OG LYS 66.A O no hydrogen 2.587 N/A ASN 71.A N ALA 68.A O no hydrogen 3.050 N/A LEU 72.A N MET 67.A O no hydrogen 2.628 N/A GLY 75.A N PRO 36.A O no hydrogen 2.704 N/A GLY 76.A N SER 31.A O no hydrogen 2.864 N/A GLY 77.A N ALA 38.A O no hydrogen 3.151 N/A LYS 78.A N ARG 28.A O no hydrogen 2.918 N/A SER 79.A N GLY 40.A O no hydrogen 3.207 N/A SER 79.A OG TYR 113.A OH no hydrogen 2.463 N/A VAL 80.A N VAL 26.A O no hydrogen 2.751 N/A ILE 81.A N ARG 42.A O no hydrogen 2.661 N/A ALA 82.A N HIS 24.A O no hydrogen 2.948 N/A LEU 83.A N ALA 44.A O no hydrogen 2.435 N/A ARG 87.A NE ASN 120.A O no hydrogen 3.604 N/A ARG 87.A NH1 ARG 87.A O no hydrogen 3.055 N/A SER 89.A N PRO 86.A O no hydrogen 2.985 N/A SER 89.A OG PRO 86.A O no hydrogen 3.527 N/A ILE 90.A N ARG 87.A O no hydrogen 3.191 N/A THR 94.A N ASP 91.A OD1 no hydrogen 2.216 N/A TRP 95.A N ASP 91.A O no hydrogen 2.857 N/A TRP 95.A NE1 ASP 125.A OD1 no hydrogen 2.958 N/A ALA 96.A N PRO 92.A O no hydrogen 3.071 N/A ARG 97.A N SER 93.A O no hydrogen 2.969 N/A ARG 97.A NE ASP 18.A OD2 no hydrogen 3.218 N/A ILE 98.A N THR 94.A O no hydrogen 2.742 N/A LEU 99.A N TRP 95.A O no hydrogen 2.905 N/A ARG 100.A N ALA 96.A O no hydrogen 3.028 N/A ARG 100.A NE GLU 104.A OE2 no hydrogen 3.465 N/A ILE 101.A N ARG 97.A O no hydrogen 2.814 N/A HIS 102.A N ILE 98.A O no hydrogen 2.758 N/A HIS 102.A NE2 THR 41.A OG1 no hydrogen 2.997 N/A ALA 103.A N LEU 99.A O no hydrogen 2.679 N/A GLU 104.A N ARG 100.A O no hydrogen 3.016 N/A GLU 104.A N ILE 101.A O no hydrogen 3.068 N/A ASN 105.A N ILE 101.A O no hydrogen 3.400 N/A ILE 106.A N HIS 102.A O no hydrogen 3.372 N/A ASP 107.A N ALA 103.A O no hydrogen 3.073 N/A LYS 108.A N GLU 104.A O no hydrogen 2.961 N/A LEU 109.A N ASN 105.A O no hydrogen 3.377 N/A LEU 109.A N ILE 106.A O no hydrogen 3.104 N/A SER 110.A N ASP 107.A O no hydrogen 2.947 N/A SER 110.A OG LYS 108.A O no hydrogen 2.892 N/A ASN 112.A N LEU 109.A O no hydrogen 3.060 N/A ASN 112.A ND2 LEU 109.A O no hydrogen 3.330 N/A TYR 113.A OH GLY 39.A O no hydrogen 2.653 N/A TYR 113.A OH SER 79.A OG no hydrogen 2.463 N/A TYR 113.A OH THR 115.A OG1 no hydrogen 3.138 N/A TRP 114.A N ALA 37.A O no hydrogen 2.788 N/A TRP 114.A NE1 GLY 111.A O no hydrogen 2.716 N/A THR 115.A N PHE 135.A O no hydrogen 3.154 N/A THR 115.A OG1 GLY 39.A O no hydrogen 3.292 N/A THR 115.A OG1 THR 41.A OG1 no hydrogen 2.567 N/A THR 115.A OG1 TYR 113.A OH no hydrogen 3.138 N/A THR 115.A OG1 GLY 116.A O no hydrogen 3.551 N/A GLY 116.A N THR 115.A OG1 no hydrogen 2.797 N/A ASP 118.A N THR 121.A OG1 no hydrogen 2.773 N/A ASN 120.A ND2 ALA 43.A O no hydrogen 2.686 N/A THR 121.A N ASP 118.A O no hydrogen 3.041 N/A THR 121.A OG1 THR 41.A O no hydrogen 2.747 N/A THR 121.A OG1 ASP 118.A O no hydrogen 3.382 N/A ASN 122.A N ASP 125.A OD2 no hydrogen 2.785 N/A SER 123.A OG GLY 138.A O no hydrogen 2.472 N/A ASP 125.A N ASN 122.A OD1 no hydrogen 3.027 N/A MET 126.A N ASN 122.A O no hydrogen 3.176 N/A ASP 127.A N SER 123.A O no hydrogen 2.877 N/A THR 128.A N ALA 124.A O no hydrogen 2.963 N/A THR 128.A OG1 ALA 124.A O no hydrogen 3.175 N/A LEU 129.A N ASP 125.A O no hydrogen 2.777 N/A ASN 130.A N MET 126.A O no hydrogen 2.938 N/A ASN 130.A ND2 THR 133.A O no hydrogen 2.954 N/A ASP 131.A N THR 128.A O no hydrogen 2.699 N/A THR 132.A N LEU 129.A O no hydrogen 2.918 N/A THR 133.A N LEU 129.A O no hydrogen 2.875 N/A THR 133.A OG1 ASP 107.A OD1 no hydrogen 2.388 N/A PHE 137.A N THR 115.A O no hydrogen 2.872 N/A GLY 138.A N GLU 299.A OE2 no hydrogen 2.647 N/A ARG 139.A NH1 ASN 130.A OD1 no hydrogen 3.121 N/A SER 140.A N ASP 127.A OD1 no hydrogen 2.873 N/A SER 140.A OG ASP 127.A OD2 no hydrogen 2.964 N/A ARG 143.A N SER 140.A O no hydrogen 3.291 N/A ARG 143.A NE ASN 130.A OD1 no hydrogen 3.105 N/A ARG 143.A NH2 ASP 131.A OD1 no hydrogen 2.734 N/A GLY 144.A N LEU 141.A O no hydrogen 2.775 N/A GLY 145.A N SER 140.A O no hydrogen 2.564 N/A ALA 146.A N GLU 299.A OE2 no hydrogen 2.973 N/A GLY 147.A N ARG 139.A O no hydrogen 2.996 N/A ALA 150.A N SER 148.A OG no hydrogen 3.298 N/A THR 152.A OG1 HIS 294.A ND1 no hydrogen 3.392 N/A THR 153.A N SER 149.A O no hydrogen 2.992 N/A THR 153.A OG1 SER 149.A O no hydrogen 3.063 N/A ALA 154.A N ALA 150.A O no hydrogen 3.028 N/A VAL 155.A N PHE 151.A O no hydrogen 3.036 N/A GLY 156.A N THR 152.A O no hydrogen 2.928 N/A VAL 157.A N THR 153.A O no hydrogen 2.732 N/A PHE 158.A N ALA 154.A O no hydrogen 2.651 N/A GLU 159.A N VAL 155.A O no hydrogen 2.824 N/A ALA 160.A N GLY 156.A O no hydrogen 3.109 N/A MET 161.A N VAL 157.A O no hydrogen 3.101 N/A LYS 162.A N PHE 158.A O no hydrogen 3.183 N/A LYS 162.A NZ GLU 159.A OE2 no hydrogen 3.038 N/A ALA 163.A N GLU 159.A O no hydrogen 3.171 N/A THR 164.A N ALA 160.A O no hydrogen 2.896 N/A THR 164.A OG1 ALA 160.A O no hydrogen 2.748 N/A VAL 165.A N MET 161.A O no hydrogen 2.664 N/A ALA 166.A N LYS 162.A O no hydrogen 2.980 N/A HIS 167.A N ALA 163.A O no hydrogen 2.931 N/A HIS 167.A NE2 ASP 327.A OD2 no hydrogen 3.133 N/A ARG 168.A N THR 164.A O no hydrogen 2.802 N/A ARG 168.A NE ARG 168.A O no hydrogen 3.094 N/A GLY 169.A N VAL 165.A O no hydrogen 3.169 N/A LEU 170.A N VAL 165.A O no hydrogen 3.105 N/A ASP 174.A N SER 172.A OG no hydrogen 3.056 N/A GLY 175.A N GLY 198.A O no hydrogen 2.951 N/A LEU 176.A N LEU 173.A O no hydrogen 3.158 N/A THR 177.A N ASP 233.A OD2 no hydrogen 2.455 N/A VAL 178.A N GLN 200.A O no hydrogen 2.763 N/A LEU 179.A N VAL 234.A O no hydrogen 2.895 N/A VAL 180.A N LEU 202.A O no hydrogen 2.980 N/A GLN 181.A N ALA 236.A O no hydrogen 2.881 N/A GLY 182.A N ALA 204.A O no hydrogen 2.892 N/A LEU 183.A N ASP 205.A OD2 no hydrogen 2.783 N/A GLY 188.A N GLY 184.A O no hydrogen 2.807 N/A SER 189.A OG ALA 185.A O no hydrogen 3.296 N/A SER 189.A OG VAL 186.A O no hydrogen 2.583 N/A LEU 190.A N VAL 186.A O no hydrogen 3.050 N/A ALA 191.A N GLY 187.A O no hydrogen 2.875 N/A SER 192.A N GLY 188.A O no hydrogen 3.147 N/A LEU 193.A N SER 189.A O no hydrogen 2.958 N/A ALA 194.A N LEU 190.A O no hydrogen 2.706 N/A ALA 195.A N ALA 191.A O no hydrogen 2.732 N/A GLU 196.A N SER 192.A O no hydrogen 3.327 N/A ALA 197.A N ALA 194.A O no hydrogen 3.055 N/A GLY 198.A N ALA 195.A O no hydrogen 2.960 N/A ALA 199.A N ALA 194.A O no hydrogen 3.188 N/A GLN 200.A N LEU 176.A O no hydrogen 2.579 N/A LEU 202.A N VAL 178.A O no hydrogen 2.746 N/A VAL 203.A N THR 220.A O no hydrogen 2.695 N/A ALA 204.A N VAL 180.A O no hydrogen 3.137 N/A THR 206.A OG1 ASP 205.A OD1 no hydrogen 3.062 N/A ASP 207.A N ASP 205.A OD1 no hydrogen 3.024 N/A GLU 209.A N ASP 207.A OD1 no hydrogen 2.887 N/A VAL 211.A N ASP 207.A O no hydrogen 3.340 N/A ALA 212.A N THR 208.A O no hydrogen 3.129 N/A HIS 213.A N GLU 209.A O no hydrogen 2.870 N/A ALA 214.A N ARG 210.A O no hydrogen 3.116 N/A VAL 215.A N VAL 211.A O no hydrogen 2.865 N/A ALA 216.A N ALA 212.A O no hydrogen 3.058 N/A LEU 217.A N HIS 213.A O no hydrogen 3.227 N/A LEU 217.A N ALA 214.A O no hydrogen 3.017 N/A GLY 218.A N VAL 215.A O no hydrogen 2.955 N/A HIS 219.A N ALA 214.A O no hydrogen 3.208 N/A THR 220.A N LEU 201.A O no hydrogen 2.806 N/A THR 220.A OG1 LEU 201.A O no hydrogen 3.447 N/A VAL 222.A N VAL 203.A O no hydrogen 2.620 N/A ASP 226.A N ALA 223.A O no hydrogen 3.008 N/A VAL 227.A N LEU 224.A O no hydrogen 2.711 N/A SER 229.A N ASP 226.A O no hydrogen 3.357 N/A THR 230.A OG1 ASP 226.A O no hydrogen 2.701 N/A CYS 232.A N ASP 253.A O no hydrogen 2.868 N/A CYS 232.A SG THR 230.A O no hydrogen 3.822 N/A CYS 232.A SG VAL 234.A O no hydrogen 3.424 N/A CYS 232.A SG ASP 253.A O no hydrogen 3.919 N/A ASP 233.A N THR 177.A O no hydrogen 2.774 N/A VAL 234.A N THR 177.A O no hydrogen 3.059 N/A PHE 235.A N VAL 256.A O no hydrogen 2.879 N/A ALA 236.A N LEU 179.A O no hydrogen 2.929 N/A CYS 238.A N GLN 181.A O no hydrogen 2.630 N/A CYS 238.A SG ALA 236.A O no hydrogen 3.822 N/A GLY 242.A N ASN 263.A O no hydrogen 2.425 N/A ILE 244.A N VAL 264.A O no hydrogen 3.078 N/A THR 246.A OG1 ASP 267.A OD2 no hydrogen 2.397 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.590 N/A VAL 248.A N THR 245.A OG1 no hydrogen 2.917 N/A ALA 249.A N THR 245.A O no hydrogen 2.805 N/A THR 251.A OG1 GLU 247.A O no hydrogen 3.560 N/A THR 251.A OG1 VAL 248.A O no hydrogen 3.421 N/A LEU 252.A N VAL 248.A O no hydrogen 3.087 N/A CYS 254.A SG VAL 256.A O no hydrogen 3.526 N/A SER 255.A N ASP 233.A O no hydrogen 2.835 N/A VAL 256.A N ASP 233.A O no hydrogen 3.129 N/A VAL 257.A N LEU 280.A O no hydrogen 2.807 N/A ALA 258.A N PHE 235.A O no hydrogen 2.859 N/A ALA 260.A N PRO 237.A O no hydrogen 3.205 N/A ALA 261.A N PRO 237.A O no hydrogen 3.208 N/A VAL 264.A N ASP 284.A OD2 no hydrogen 3.028 N/A ALA 266.A N ILE 244.A O no hydrogen 2.628 N/A ALA 269.A N GLU 268.A OE1 no hydrogen 2.333 N/A ALA 270.A N ASP 267.A O no hydrogen 2.977 N/A SER 271.A N GLU 268.A O no hydrogen 2.604 N/A SER 271.A OG GLU 268.A O no hydrogen 3.372 N/A ASP 272.A N GLU 268.A O no hydrogen 3.321 N/A ILE 273.A N ALA 269.A O no hydrogen 2.797 N/A LEU 274.A N ALA 270.A O no hydrogen 2.991 N/A HIS 275.A N SER 271.A O no hydrogen 3.050 N/A ALA 276.A N ASP 272.A O no hydrogen 2.710 N/A ARG 277.A N ILE 273.A O no hydrogen 2.649 N/A ARG 277.A N LEU 274.A O no hydrogen 3.002 N/A ARG 277.A NH1 ALA 249.A O no hydrogen 2.429 N/A ARG 277.A NH1 LEU 252.A O no hydrogen 3.486 N/A ARG 277.A NH2 LEU 252.A O no hydrogen 2.671 N/A GLY 278.A N HIS 275.A O no hydrogen 3.113 N/A ILE 279.A N LEU 274.A O no hydrogen 2.922 N/A LEU 280.A N SER 255.A O no hydrogen 3.017 N/A ALA 282.A N VAL 257.A O no hydrogen 2.924 N/A ASP 284.A N TYR 281.A OH no hydrogen 3.152 N/A PHE 285.A N ASP 284.A OD1 no hydrogen 2.584 N/A VAL 286.A N PRO 283.A O no hydrogen 2.748 N/A ALA 287.A N PRO 283.A O no hydrogen 3.091 N/A ASN 288.A N ASP 284.A O no hydrogen 3.057 N/A ASN 288.A ND2 ALA 260.A O no hydrogen 3.061 N/A ASN 288.A ND2 ALA 261.A O no hydrogen 3.130 N/A ILE 293.A N ALA 289.A O no hydrogen 2.925 N/A HIS 294.A N GLY 290.A O no hydrogen 3.176 N/A LEU 295.A N GLY 291.A O no hydrogen 3.016 N/A VAL 296.A N ALA 292.A O no hydrogen 2.836 N/A GLY 297.A N ILE 293.A O no hydrogen 2.731 N/A ARG 298.A N HIS 294.A O no hydrogen 2.842 N/A ARG 298.A NH1 TRP 303.A O no hydrogen 2.700 N/A GLU 299.A N LEU 295.A O no hydrogen 2.796 N/A VAL 300.A N VAL 296.A O no hydrogen 2.706 N/A LEU 301.A N VAL 296.A O no hydrogen 2.893 N/A TRP 303.A N GLY 297.A O no hydrogen 2.532 N/A SER 304.A OG SER 306.A OG no hydrogen 2.765 N/A SER 306.A OG SER 304.A OG no hydrogen 2.765 N/A VAL 307.A N SER 304.A OG no hydrogen 2.483 N/A VAL 308.A N SER 304.A O no hydrogen 2.941 N/A HIS 309.A N GLU 305.A O no hydrogen 2.910 N/A GLU 310.A N SER 306.A O no hydrogen 2.911 N/A ARG 311.A N VAL 307.A O no hydrogen 2.951 N/A ALA 312.A N VAL 308.A O no hydrogen 2.836 N/A VAL 313.A N HIS 309.A O no hydrogen 2.972 N/A ALA 314.A N GLU 310.A O no hydrogen 2.719 N/A ILE 315.A N ALA 312.A O no hydrogen 3.337 N/A GLY 316.A N VAL 313.A O no hydrogen 3.388 N/A THR 318.A N ALA 314.A O no hydrogen 3.194 N/A LEU 319.A N ILE 315.A O no hydrogen 2.980 N/A ASN 320.A N GLY 316.A O no hydrogen 2.656 N/A GLN 321.A N ASP 317.A O no hydrogen 3.210 N/A VAL 322.A N THR 318.A O no hydrogen 2.971 N/A PHE 323.A N LEU 319.A O no hydrogen 3.017 N/A GLU 324.A N ASN 320.A O no hydrogen 2.997 N/A ILE 325.A N GLN 321.A O no hydrogen 3.012 N/A SER 326.A N VAL 322.A O no hydrogen 2.964 N/A SER 326.A OG VAL 331.A O no hydrogen 2.702 N/A ASP 327.A N PHE 323.A O no hydrogen 2.748 N/A ASN 328.A N GLU 324.A O no hydrogen 2.904 N/A ASP 329.A N ILE 325.A O no hydrogen 2.828 N/A GLY 330.A N SER 326.A O no hydrogen 3.159 N/A VAL 331.A N SER 326.A O no hydrogen 3.112 N/A GLU 335.A N THR 332.A OG1 no hydrogen 3.175 N/A ALA 336.A N THR 332.A O no hydrogen 2.943 N/A ALA 337.A N PRO 333.A O no hydrogen 3.032 N/A ARG 338.A N ASP 334.A O no hydrogen 3.226 N/A THR 339.A N GLU 335.A O no hydrogen 3.020 N/A THR 339.A OG1 GLU 335.A O no hydrogen 2.868 N/A LEU 340.A N ALA 336.A O no hydrogen 3.111 N/A ALA 341.A N ALA 337.A O no hydrogen 2.837 N/A GLY 342.A N ARG 338.A O no hydrogen 2.754 N/A ARG 343.A N THR 339.A O no hydrogen 2.896 N/A ARG 344.A N LEU 340.A O no hydrogen 2.906 N/A ARG 344.A NH1 VAL 69.A O no hydrogen 2.420 N/A ARG 344.A NH1 THR 318.A OG1 no hydrogen 3.197 N/A ARG 344.A NH2 THR 318.A OG1 no hydrogen 3.395 N/A ALA 345.A N ALA 341.A O no hydrogen 3.067 N/A ARG 346.A N GLY 342.A O no hydrogen 3.208 N/A GLU 347.A N ARG 343.A O no hydrogen 2.932 N/A ALA 348.A N ARG 344.A O no hydrogen 2.812 N/A SER 349.A N ARG 346.A O no hydrogen 3.073 N/A