Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xxh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 GLU 120.A OE1 no hydrogen 3.201 N/A LEU 3.A N GLN 134.A O no hydrogen 3.129 N/A GLN 7.A N TYR 4.A O no hydrogen 2.970 N/A LEU 8.A N PRO 5.A O no hydrogen 2.949 N/A ARG 9.A NH1 GLN 39.A OE1 no hydrogen 3.511 N/A ARG 9.A NH2 GLN 39.A OE1 no hydrogen 2.893 N/A GLN 11.A N GLN 7.A O no hydrogen 2.892 N/A LEU 12.A N LEU 8.A O no hydrogen 2.743 N/A ASN 13.A N ARG 9.A O no hydrogen 3.473 N/A GLY 15.A N LEU 12.A O no hydrogen 3.055 N/A ARG 17.A N TYR 20.A OH no hydrogen 3.273 N/A ARG 17.A NH1 ASN 130.A O no hydrogen 3.357 N/A ARG 17.A NH1 ARG 131.A O no hydrogen 2.789 N/A TYR 20.A N LEU 108.A O no hydrogen 2.518 N/A TYR 20.A OH GLN 11.A OE1 no hydrogen 2.830 N/A LEU 21.A N VAL 133.A O no hydrogen 2.898 N/A LEU 22.A N VAL 110.A O no hydrogen 2.883 N/A GLY 24.A N GLY 112.A O no hydrogen 2.803 N/A ASN 25.A N GLN 138.A OE1 no hydrogen 3.131 N/A LEU 29.A N ASP 26.A OD2 no hydrogen 2.461 N/A LEU 30.A N ASP 26.A O no hydrogen 3.421 N/A GLN 31.A N PRO 27.A O no hydrogen 3.193 N/A GLU 32.A N LEU 28.A O no hydrogen 2.531 N/A SER 33.A N LEU 29.A O no hydrogen 2.622 N/A SER 33.A OG LEU 29.A O no hydrogen 2.799 N/A GLN 34.A N LEU 30.A O no hydrogen 2.774 N/A ASP 35.A N GLN 31.A O no hydrogen 2.825 N/A ALA 36.A N GLU 32.A O no hydrogen 2.820 N/A VAL 37.A N SER 33.A O no hydrogen 3.026 N/A VAL 37.A N GLN 34.A O no hydrogen 2.782 N/A ARG 38.A N GLN 34.A O no hydrogen 3.168 N/A GLN 39.A N ASP 35.A O no hydrogen 2.879 N/A VAL 40.A N VAL 37.A O no hydrogen 2.774 N/A ALA 41.A N VAL 37.A O no hydrogen 3.201 N/A ALA 41.A N ARG 38.A O no hydrogen 2.730 N/A ALA 42.A N ARG 38.A O no hydrogen 3.005 N/A GLN 44.A N ALA 41.A O no hydrogen 2.458 N/A GLY 45.A N ALA 41.A O no hydrogen 2.980 N/A PHE 46.A N ALA 41.A O no hydrogen 3.270 N/A HIS 50.A N THR 77.A O no hydrogen 2.807 N/A PHE 52.A N LEU 79.A O no hydrogen 2.922 N/A ILE 54.A N LEU 81.A O no hydrogen 2.507 N/A THR 58.A N ASP 55.A O no hydrogen 2.955 N/A THR 58.A OG1 SER 53.A O no hydrogen 2.902 N/A THR 58.A OG1 ASP 55.A O no hydrogen 3.042 N/A ALA 62.A N ASP 59.A O no hydrogen 3.217 N/A PHE 64.A N TRP 60.A O no hydrogen 2.961 N/A SER 65.A N ASN 61.A O no hydrogen 3.037 N/A SER 65.A OG ASN 61.A O no hydrogen 2.681 N/A SER 65.A OG ALA 62.A O no hydrogen 3.182 N/A LEU 66.A N ALA 62.A O no hydrogen 3.071 N/A LEU 66.A N ILE 63.A O no hydrogen 2.865 N/A SER 70.A OG SER 74.A OG no hydrogen 3.314 N/A PHE 72.A N SER 70.A OG no hydrogen 3.396 N/A ALA 73.A N SER 70.A O no hydrogen 3.338 N/A SER 74.A OG GLU 48.A OE2 no hydrogen 3.539 N/A SER 74.A OG SER 70.A OG no hydrogen 3.314 N/A THR 77.A OG1 HIS 49.A ND1 no hydrogen 3.280 N/A LEU 78.A N LEU 107.A O no hydrogen 2.997 N/A LEU 79.A N HIS 50.A O no hydrogen 2.778 N/A LEU 80.A N ILE 109.A O no hydrogen 3.185 N/A LEU 81.A N PHE 52.A O no hydrogen 2.996 N/A LEU 82.A N ARG 111.A O no hydrogen 2.744 N/A ILE 91.A N ASN 88.A OD1 no hydrogen 2.886 N/A ASN 92.A N ALA 89.A O no hydrogen 3.223 N/A ASN 92.A ND2 ALA 89.A O no hydrogen 3.055 N/A THR 97.A N GLU 93.A O no hydrogen 2.767 N/A THR 97.A OG1 GLU 93.A O no hydrogen 3.408 N/A THR 99.A N LEU 96.A O no hydrogen 3.199 N/A THR 99.A OG1 TRP 124.A O no hydrogen 3.064 N/A GLY 100.A N THR 97.A O no hydrogen 3.320 N/A LEU 107.A N GLN 76.A O no hydrogen 3.285 N/A LEU 108.A N ALA 18.A O no hydrogen 3.341 N/A ILE 109.A N LEU 78.A O no hydrogen 3.005 N/A VAL 110.A N TYR 20.A O no hydrogen 2.950 N/A ARG 111.A N LEU 80.A O no hydrogen 2.982 N/A GLY 112.A N LEU 22.A O no hydrogen 3.067 N/A GLN 119.A N SER 116.A OG no hydrogen 3.145 N/A GLU 120.A N SER 116.A O no hydrogen 2.851 N/A ASN 121.A ND2 LYS 117.A O no hydrogen 2.354 N/A PHE 125.A N ALA 122.A O no hydrogen 2.920 N/A ALA 127.A N TRP 124.A O no hydrogen 2.871 N/A ALA 129.A N PHE 125.A O no hydrogen 3.080 N/A ASN 130.A N ALA 127.A O no hydrogen 3.309 N/A SER 132.A N LEU 128.A O no hydrogen 2.969 N/A SER 132.A OG LEU 128.A O no hydrogen 2.642 N/A VAL 133.A N ALA 19.A O no hydrogen 3.248 N/A GLN 134.A N ILE 1.A O no hydrogen 3.120 N/A VAL 135.A N LEU 21.A O no hydrogen 2.885 N/A THR 136.A N LEU 3.A O no hydrogen 3.122 N/A CYS 137.A N LEU 23.A O no hydrogen 2.698 N/A CYS 137.A SG SER 33.A OG no hydrogen 3.708 N/A CYS 137.A SG VAL 135.A O no hydrogen 3.307 N/A THR 139.A N GLN 138.A OE1 no hydrogen 3.112 N/A THR 139.A OG1 ASN 25.A OD1 no hydrogen 2.676 N/A GLN 144.A N GLU 141.A O no hydrogen 3.169 N/A LEU 145.A N GLU 141.A O no hydrogen 2.505 N/A TRP 148.A N GLN 144.A O no hydrogen 2.802 N/A VAL 149.A N LEU 145.A O no hydrogen 3.408 N/A ALA 150.A N PRO 146.A O no hydrogen 2.888 N/A ALA 151.A N ARG 147.A O no hydrogen 2.685 N/A ARG 152.A N TRP 148.A O no hydrogen 2.792 N/A ALA 153.A N VAL 149.A O no hydrogen 3.134 N/A LYS 154.A N ALA 150.A O no hydrogen 2.985 N/A GLN 155.A N ALA 151.A O no hydrogen 3.132 N/A GLN 155.A N ARG 152.A O no hydrogen 2.527 N/A LEU 156.A N ARG 152.A O no hydrogen 3.057 N/A LEU 156.A N ALA 153.A O no hydrogen 2.756 N/A ASN 157.A N LYS 154.A O no hydrogen 3.182 N/A LEU 158.A N ALA 153.A O no hydrogen 3.116 N/A ASN 165.A N ASP 161.A O no hydrogen 2.537 N/A ASN 165.A ND2 PRO 146.A O no hydrogen 3.171 N/A GLN 166.A N ASP 162.A O no hydrogen 2.772 N/A VAL 167.A N ALA 163.A O no hydrogen 3.344 N/A CYS 169.A N ASN 165.A O no hydrogen 3.008 N/A CYS 169.A SG ASN 165.A O no hydrogen 2.643 N/A CYS 169.A SG ASN 165.A OD1 no hydrogen 2.845 N/A TYR 170.A N GLN 166.A O no hydrogen 2.822 N/A TYR 170.A N VAL 167.A O no hydrogen 2.847 N/A CYS 171.A N VAL 167.A O no hydrogen 3.101 N/A LEU 176.A N GLY 174.A O no hydrogen 2.499 N/A ALA 180.A N LEU 176.A O no hydrogen 2.931 N/A GLN 181.A N LEU 177.A O no hydrogen 3.056 N/A ALA 182.A N ALA 178.A O no hydrogen 2.649 N/A ARG 185.A N GLN 181.A O no hydrogen 3.074 N/A LEU 186.A N ALA 182.A O no hydrogen 2.959 N/A SER 187.A N LEU 183.A O no hydrogen 2.660 N/A SER 187.A OG GLU 184.A O no hydrogen 3.293 N/A LEU 188.A N GLU 184.A O no hydrogen 3.213 N/A LEU 189.A N ARG 185.A O no hydrogen 2.975 N/A TRP 190.A N LEU 186.A O no hydrogen 3.257 N/A GLY 193.A N TRP 190.A O no hydrogen 2.650 N/A ARG 199.A NH1 LYS 194.A O no hydrogen 2.546 N/A VAL 200.A N THR 196.A O no hydrogen 3.309 N/A GLU 201.A N LEU 197.A O no hydrogen 3.105 N/A ALA 203.A N ARG 199.A O no hydrogen 3.434 N/A VAL 204.A N VAL 200.A O no hydrogen 2.806 N/A ASN 205.A N GLU 201.A O no hydrogen 2.893 N/A ASP 206.A N GLN 202.A O no hydrogen 2.604 N/A ALA 207.A N ALA 203.A O no hydrogen 2.957 N/A ALA 208.A N ASN 205.A O no hydrogen 2.956 N/A PHE 210.A N GLU 236.A OE2 no hydrogen 2.952 N/A HIS 214.A N THR 211.A O no hydrogen 2.440 N/A TRP 215.A N THR 211.A O no hydrogen 3.194 N/A VAL 216.A N PRO 212.A O no hydrogen 3.067 N/A ASP 217.A N PHE 213.A O no hydrogen 3.046 N/A ALA 218.A N HIS 214.A O no hydrogen 3.156 N/A LEU 219.A N TRP 215.A O no hydrogen 3.003 N/A LEU 220.A N VAL 216.A O no hydrogen 2.851 N/A LEU 227.A N SER 223.A O no hydrogen 2.704 N/A HIS 228.A N LYS 224.A O no hydrogen 3.114 N/A ILE 229.A N ARG 225.A O no hydrogen 2.731 N/A LEU 230.A N LEU 227.A O no hydrogen 2.854 N/A GLN 231.A N LEU 227.A O no hydrogen 3.184 N/A GLN 231.A NE2 HIS 228.A ND1 no hydrogen 3.114 N/A GLN 232.A N HIS 228.A O no hydrogen 2.856 N/A LEU 233.A N ILE 229.A O no hydrogen 2.862 N/A ARG 234.A N GLN 231.A O no hydrogen 3.314 N/A LEU 235.A N GLN 232.A O no hydrogen 2.799 N/A SER 238.A OG LEU 233.A O no hydrogen 2.703 N/A LEU 243.A N PRO 240.A O no hydrogen 2.931 N/A LEU 244.A N PRO 240.A O no hydrogen 3.037 N/A THR 246.A N LEU 243.A O no hydrogen 3.246 N/A THR 246.A OG1 ILE 242.A O no hydrogen 2.782 N/A LEU 247.A N LEU 243.A O no hydrogen 3.156 N/A GLN 248.A N LEU 244.A O no hydrogen 3.003 N/A ARG 249.A N ARG 245.A O no hydrogen 3.269 N/A LEU 251.A N LEU 247.A O no hydrogen 2.633 N/A LEU 252.A N GLN 248.A O no hydrogen 2.627 N/A LEU 253.A N ARG 249.A O no hydrogen 3.138 N/A LEU 254.A N GLU 250.A O no hydrogen 3.217 N/A VAL 255.A N LEU 251.A O no hydrogen 3.190 N/A VAL 255.A N LEU 252.A O no hydrogen 2.429 N/A ASN 256.A N LEU 252.A O no hydrogen 3.190 N/A ASN 256.A ND2 LEU 252.A O no hydrogen 3.422 N/A LEU 257.A N LEU 253.A O no hydrogen 3.201 N/A LYS 258.A N LEU 254.A O no hydrogen 3.242 N/A LYS 258.A NZ GLN 290.A OE1 no hydrogen 2.877 N/A ARG 259.A N VAL 255.A O no hydrogen 2.876 N/A GLN 260.A N ASN 256.A O no hydrogen 2.777 N/A GLN 260.A N LEU 257.A O no hydrogen 2.899 N/A SER 261.A OG LYS 258.A O no hydrogen 3.374 N/A THR 264.A OG1 HIS 263.A O no hydrogen 2.414 N/A LEU 269.A N PRO 265.A O no hydrogen 3.481 N/A PHE 270.A N LEU 266.A O no hydrogen 3.265 N/A LYS 272.A N ALA 268.A O no hydrogen 3.286 N/A HIS 273.A N LEU 269.A O no hydrogen 3.185 N/A ARG 274.A N PHE 270.A O no hydrogen 2.812 N/A GLU 283.A N GLY 281.A O no hydrogen 2.693 N/A ASN 286.A N GLU 283.A O no hydrogen 3.273 N/A ARG 287.A N ALA 284.A O no hydrogen 2.666 N/A ARG 287.A NH1 ASN 286.A O no hydrogen 2.647 N/A LEU 288.A N ALA 284.A O no hydrogen 3.052 N/A SER 289.A OG THR 291.A OG1 no hydrogen 3.023 N/A THR 291.A OG1 SER 289.A OG no hydrogen 3.023 N/A GLN 292.A N SER 289.A OG no hydrogen 2.926 N/A LEU 293.A N SER 289.A O no hydrogen 3.056 N/A ARG 294.A N GLN 290.A O no hydrogen 3.505 N/A GLN 295.A N THR 291.A O no hydrogen 3.088 N/A GLN 295.A NE2 LEU 331.A O no hydrogen 3.460 N/A ALA 296.A N GLN 292.A O no hydrogen 3.069 N/A VAL 297.A N LEU 293.A O no hydrogen 2.950 N/A VAL 297.A N ARG 294.A O no hydrogen 2.423 N/A GLN 298.A N ARG 294.A O no hydrogen 2.567 N/A LEU 299.A N GLN 295.A O no hydrogen 2.986 N/A LEU 300.A N ALA 296.A O no hydrogen 3.319 N/A THR 301.A N VAL 297.A O no hydrogen 3.089 N/A THR 301.A OG1 VAL 297.A O no hydrogen 2.646 N/A ARG 302.A N GLN 298.A O no hydrogen 2.937 N/A THR 303.A N LEU 299.A O no hydrogen 2.790 N/A THR 303.A OG1 LEU 299.A O no hydrogen 2.806 N/A THR 303.A OG1 GLU 318.A OE1 no hydrogen 2.906 N/A GLU 304.A N LEU 300.A O no hydrogen 2.743 N/A LEU 305.A N THR 301.A O no hydrogen 2.679 N/A THR 306.A N ARG 302.A O no hydrogen 2.451 N/A LEU 307.A N THR 303.A O no hydrogen 2.487 N/A LYS 308.A N GLU 304.A O no hydrogen 3.190 N/A LYS 308.A N LEU 305.A O no hydrogen 2.605 N/A LYS 308.A NZ GLU 304.A OE2 no hydrogen 3.022 N/A GLN 313.A NE2 GLN 313.A O no hydrogen 2.541 N/A SER 314.A OG GLN 313.A O no hydrogen 2.420 N/A LEU 319.A N VAL 315.A O no hydrogen 3.163 N/A GLU 320.A N TRP 316.A O no hydrogen 2.941 N/A GLY 321.A N ALA 317.A O no hydrogen 3.404 N/A LEU 322.A N GLU 318.A O no hydrogen 2.710 N/A SER 323.A N LEU 319.A O no hydrogen 2.870 N/A SER 323.A OG LEU 319.A O no hydrogen 3.018 N/A SER 323.A OG GLU 320.A O no hydrogen 2.940 N/A LEU 324.A N GLU 320.A O no hydrogen 3.225 N/A LEU 325.A N GLY 321.A O no hydrogen 3.122 N/A LEU 325.A N LEU 322.A O no hydrogen 2.665 N/A LEU 326.A N LEU 322.A O no hydrogen 3.341 N/A CYS 327.A N LEU 324.A O no hydrogen 3.287 N/A CYS 327.A SG GLY 221.A O no hydrogen 3.713 N/A CYS 327.A SG SER 323.A O no hydrogen 3.487 N/A HIS 328.A N LEU 325.A O no hydrogen 3.405 N/A