Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7u1a_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A N GLU 222.A OE2 no hydrogen 2.392 N/A LYS 4.A NZ GLU 193.A OE2 no hydrogen 2.679 N/A ARG 6.A NE THR 48.A OG1 no hydrogen 3.388 N/A ALA 12.A N SER 9.A O no hydrogen 3.258 N/A LEU 13.A N LEU 10.A O no hydrogen 3.425 N/A ASN 16.A N GLU 181.A OE1 no hydrogen 3.361 N/A ASN 16.A ND2 PRO 175.A O no hydrogen 2.955 N/A GLU 18.A N GLU 18.A OE2 no hydrogen 2.757 N/A THR 20.A N ASN 16.A O no hydrogen 2.924 N/A THR 20.A OG1 GLU 17.A O no hydrogen 2.418 N/A ASN 21.A N GLU 17.A O no hydrogen 2.904 N/A PHE 22.A N GLU 18.A O no hydrogen 2.901 N/A LEU 23.A N LEU 19.A O no hydrogen 2.908 N/A LYS 24.A N THR 20.A O no hydrogen 2.906 N/A LYS 24.A NZ ASN 21.A OD1 no hydrogen 3.257 N/A SER 25.A N ASN 21.A O no hydrogen 2.891 N/A SER 25.A OG ASN 21.A O no hydrogen 3.229 N/A SER 25.A OG PHE 22.A O no hydrogen 2.414 N/A LEU 26.A N PHE 22.A O no hydrogen 2.917 N/A SER 27.A N LEU 23.A O no hydrogen 2.888 N/A SER 27.A OG SER 56.A OG no hydrogen 2.565 N/A ASP 28.A N SER 25.A O no hydrogen 3.368 N/A LEU 36.A N LEU 151.A O no hydrogen 2.917 N/A LEU 38.A N MET 153.A O no hydrogen 2.864 N/A TYR 39.A N ILE 172.A O no hydrogen 2.930 N/A THR 44.A N PRO 41.A O no hydrogen 3.377 N/A THR 44.A OG1 PRO 41.A O no hydrogen 2.937 N/A LYS 46.A NZ GLY 40.A O no hydrogen 3.350 N/A LYS 47.A NZ GLU 92.A OE1 no hydrogen 2.918 N/A ARG 49.A N GLY 45.A O no hydrogen 3.069 N/A CYS 50.A N LYS 46.A O no hydrogen 2.894 N/A CYS 50.A SG LYS 47.A O no hydrogen 3.014 N/A MET 51.A N LYS 47.A O no hydrogen 2.926 N/A ALA 52.A N THR 48.A O no hydrogen 2.886 N/A LEU 53.A N ARG 49.A O no hydrogen 2.863 N/A LEU 54.A N CYS 50.A O no hydrogen 2.899 N/A GLU 55.A N MET 51.A O no hydrogen 2.893 N/A SER 56.A N ALA 52.A O no hydrogen 2.894 N/A SER 56.A OG SER 27.A OG no hydrogen 2.565 N/A ILE 57.A N LEU 53.A O no hydrogen 2.892 N/A PHE 58.A N LEU 54.A O no hydrogen 2.842 N/A TYR 63.A OH LYS 8.A O no hydrogen 3.216 N/A ARG 64.A N GLY 61.A O no hydrogen 3.319 N/A LYS 66.A N SER 86.A O no hydrogen 2.911 N/A ASP 68.A N VAL 84.A O no hydrogen 2.914 N/A ARG 70.A N LEU 82.A O no hydrogen 2.907 N/A PHE 72.A N LEU 80.A O no hydrogen 2.893 N/A SER 76.A OG SER 76.A O no hydrogen 2.432 N/A ASN 77.A N THR 74.A O no hydrogen 3.252 N/A LEU 80.A N PHE 72.A O no hydrogen 2.912 N/A LEU 82.A N ARG 70.A O no hydrogen 2.911 N/A VAL 84.A N ASP 68.A O no hydrogen 2.883 N/A VAL 85.A N GLU 92.A O no hydrogen 3.350 N/A SER 86.A N LYS 66.A O no hydrogen 2.884 N/A SER 87.A N HIS 90.A O no hydrogen 2.653 N/A SER 87.A OG VAL 62.A O no hydrogen 2.722 N/A HIS 90.A N SER 87.A O no hydrogen 3.308 N/A HIS 90.A NE2 GLU 92.A OE2 no hydrogen 3.162 N/A LEU 91.A N CYS 121.A O no hydrogen 2.913 N/A GLU 92.A N VAL 85.A O no hydrogen 2.680 N/A ILE 93.A N ILE 123.A O no hydrogen 2.839 N/A SER 96.A OG SER 129.A OG no hydrogen 3.346 N/A ILE 106.A N ASP 102.A O no hydrogen 2.800 N/A GLN 107.A N ARG 103.A O no hydrogen 2.701 N/A GLU 108.A N ILE 104.A O no hydrogen 3.164 N/A LYS 111.A N GLN 107.A O no hydrogen 3.336 N/A GLU 112.A N GLU 108.A O no hydrogen 2.916 N/A VAL 113.A N LEU 109.A O no hydrogen 3.031 N/A ALA 114.A N LEU 110.A O no hydrogen 2.520 N/A GLN 115.A N LYS 111.A O no hydrogen 2.536 N/A MET 116.A N GLU 112.A O no hydrogen 3.225 N/A TYR 119.A OH PRO 30.A O no hydrogen 2.349 N/A LYS 120.A N ASN 148.A O no hydrogen 2.930 N/A CYS 121.A N TYR 89.A O no hydrogen 3.449 N/A VAL 122.A N ARG 150.A O no hydrogen 2.783 N/A ILE 123.A N LEU 91.A O no hydrogen 2.933 N/A ILE 124.A N ILE 152.A O no hydrogen 3.191 N/A ASN 125.A N ILE 93.A O no hydrogen 2.928 N/A ASN 125.A ND2 ILE 93.A O no hydrogen 3.577 N/A ASN 125.A ND2 THR 94.A OG1 no hydrogen 3.270 N/A ALA 127.A N VAL 154.A O no hydrogen 3.307 N/A SER 129.A OG SER 96.A OG no hydrogen 3.346 N/A LEU 130.A N ALA 127.A O no hydrogen 3.245 N/A GLN 135.A N THR 131.A O no hydrogen 2.942 N/A GLN 135.A NE2 LEU 130.A O no hydrogen 3.250 N/A GLN 135.A NE2 PRO 160.A O no hydrogen 3.366 N/A ALA 136.A N LYS 132.A O no hydrogen 2.896 N/A ALA 137.A N ASP 133.A O no hydrogen 2.903 N/A LEU 138.A N ALA 134.A O no hydrogen 2.912 N/A ARG 139.A N ALA 136.A O no hydrogen 3.072 N/A THR 141.A OG1 ALA 137.A O no hydrogen 2.803 N/A MET 142.A N LEU 138.A O no hydrogen 2.922 N/A GLU 143.A N ARG 140.A O no hydrogen 3.117 N/A LYS 144.A N ARG 140.A O no hydrogen 2.934 N/A ARG 150.A NE SER 146.A O no hydrogen 2.755 N/A ARG 150.A NH1 ARG 31.A O no hydrogen 3.128 N/A ARG 150.A NH2 SER 146.A O no hydrogen 2.509 N/A LEU 151.A N HIS 35.A ND1 no hydrogen 3.014 N/A ILE 152.A N VAL 122.A O no hydrogen 2.680 N/A MET 153.A N LEU 36.A O no hydrogen 2.906 N/A VAL 154.A N ILE 124.A O no hydrogen 2.993 N/A CYS 155.A N LEU 38.A O no hydrogen 2.929 N/A CYS 155.A SG LEU 38.A O no hydrogen 3.862 N/A ASP 156.A N ASN 128.A OD1 no hydrogen 3.377 N/A SER 159.A N SER 157.A OG no hydrogen 3.307 N/A ILE 161.A N MET 158.A O no hydrogen 3.148 N/A ILE 162.A N GLN 135.A OE1 no hydrogen 3.350 N/A LYS 166.A N ILE 162.A O no hydrogen 3.164 N/A LYS 166.A NZ ILE 161.A O no hydrogen 3.388 N/A SER 167.A N ALA 163.A O no hydrogen 2.921 N/A SER 167.A OG ALA 163.A O no hydrogen 3.026 N/A SER 167.A OG PRO 164.A O no hydrogen 2.819 N/A ARG 168.A N PRO 164.A O no hydrogen 2.929 N/A CYS 169.A N LYS 166.A O no hydrogen 3.473 N/A CYS 169.A SG ILE 165.A O no hydrogen 3.052 N/A CYS 169.A SG LYS 166.A O no hydrogen 3.844 N/A LEU 170.A N HIS 35.A O no hydrogen 2.603 N/A ILE 172.A N LEU 37.A O no hydrogen 2.910 N/A CYS 174.A N TYR 39.A O no hydrogen 2.888 N/A SER 178.A N GLU 181.A OE2 no hydrogen 3.359 N/A SER 178.A OG GLU 181.A OE2 no hydrogen 2.495 N/A ILE 182.A N SER 178.A O no hydrogen 2.931 N/A SER 183.A N ASP 179.A O no hydrogen 2.884 N/A SER 183.A OG ASP 179.A O no hydrogen 3.094 N/A THR 184.A N SER 180.A O no hydrogen 2.900 N/A THR 184.A OG1 SER 180.A O no hydrogen 3.155 N/A ILE 185.A N GLU 181.A O no hydrogen 2.957 N/A LEU 186.A N ILE 182.A O no hydrogen 2.895 N/A SER 187.A N SER 183.A O no hydrogen 2.851 N/A SER 187.A OG THR 184.A O no hydrogen 2.781 N/A SER 187.A OG ASP 188.A OD1 no hydrogen 3.282 N/A ASP 188.A N THR 184.A O no hydrogen 2.946 N/A VAL 189.A N ILE 185.A O no hydrogen 2.912 N/A VAL 190.A N LEU 186.A O no hydrogen 2.895 N/A THR 191.A N SER 187.A O no hydrogen 2.892 N/A THR 191.A OG1 SER 187.A O no hydrogen 2.944 N/A ASN 192.A N ASP 188.A O no hydrogen 2.937 N/A GLU 193.A N VAL 189.A O no hydrogen 2.725 N/A ILE 195.A N VAL 190.A O no hydrogen 2.825 N/A GLN 196.A N LEU 230.A O no hydrogen 3.214 N/A LEU 203.A N LYS 200.A O no hydrogen 2.933 N/A ARG 205.A N ASP 201.A O no hydrogen 3.028 N/A ILE 206.A N ILE 202.A O no hydrogen 3.139 N/A ALA 207.A N LEU 203.A O no hydrogen 3.268 N/A GLN 208.A N LYS 204.A O no hydrogen 3.168 N/A ALA 209.A N ARG 205.A O no hydrogen 2.870 N/A ALA 209.A N ILE 206.A O no hydrogen 2.919 N/A SER 210.A N ALA 207.A O no hydrogen 2.927 N/A SER 210.A OG ILE 206.A O no hydrogen 3.063 N/A ASN 213.A N SER 210.A O no hydrogen 3.111 N/A LEU 214.A N GLY 43.A O no hydrogen 2.912 N/A ARG 215.A N GLY 43.A O no hydrogen 3.475 N/A LEU 218.A N LEU 214.A O no hydrogen 2.939 N/A LEU 219.A N ARG 215.A O no hydrogen 2.958 N/A MET 220.A N VAL 216.A O no hydrogen 2.831 N/A LEU 221.A N SER 217.A O no hydrogen 2.919 N/A GLU 222.A N LEU 218.A O no hydrogen 2.948 N/A SER 223.A N LEU 219.A O no hydrogen 2.893 N/A MET 224.A N MET 220.A O no hydrogen 2.860 N/A ALA 225.A N LEU 221.A O no hydrogen 2.954 N/A ASN 228.A N MET 224.A O no hydrogen 3.422 N/A ASN 228.A ND2 MET 224.A O no hydrogen 2.750 N/A LEU 230.A N ALA 225.A O no hydrogen 2.655 N/A LEU 232.A N GLN 196.A O no hydrogen 2.775 N/A LYS 233.A N SER 236.A OG no hydrogen 3.005 N/A SER 236.A OG ASN 228.A OD1 no hydrogen 3.433 N/A SER 236.A OG LYS 233.A O no hydrogen 3.122 N/A ILE 244.A N PRO 241.A O no hydrogen 2.846 N/A ILE 245.A N PRO 241.A O no hydrogen 3.456 N/A VAL 246.A N ASP 242.A O no hydrogen 2.949 N/A ILE 247.A N TRP 243.A O no hydrogen 2.885 N/A HIS 248.A N ILE 244.A O no hydrogen 2.885 N/A HIS 248.A ND1 ILE 244.A O no hydrogen 2.761 N/A LYS 249.A N ILE 245.A O no hydrogen 2.895 N/A LEU 250.A N VAL 246.A O no hydrogen 2.928 N/A THR 251.A N ILE 247.A O no hydrogen 2.901 N/A THR 251.A OG1 HIS 248.A O no hydrogen 2.776 N/A ARG 252.A N HIS 248.A O no hydrogen 2.934 N/A LYS 253.A N LYS 249.A O no hydrogen 2.891 N/A LYS 253.A NZ GLU 265.A OE2 no hydrogen 2.318 N/A ILE 254.A N LEU 250.A O no hydrogen 2.890 N/A VAL 255.A N THR 251.A O no hydrogen 2.904 N/A LYS 256.A N ARG 252.A O no hydrogen 2.903 N/A GLU 257.A N LYS 253.A O no hydrogen 3.113 N/A SER 259.A OG GLU 257.A OE2 no hydrogen 2.833 N/A SER 262.A N SER 259.A OG no hydrogen 3.391 N/A LEU 263.A N SER 259.A O no hydrogen 2.816 N/A ILE 264.A N VAL 260.A O no hydrogen 2.915 N/A CYS 266.A N SER 262.A O no hydrogen 2.902 N/A CYS 266.A SG SER 262.A O no hydrogen 3.052 N/A ARG 267.A N LEU 263.A O no hydrogen 2.860 N/A ALA 268.A N ILE 264.A O no hydrogen 2.929 N/A VAL 269.A N GLU 265.A O no hydrogen 2.911 N/A LEU 270.A N CYS 266.A O no hydrogen 2.875 N/A TYR 271.A N ARG 267.A O no hydrogen 2.899 N/A ASP 272.A N ALA 268.A O no hydrogen 2.921 N/A LEU 273.A N VAL 269.A O no hydrogen 2.894 N/A LEU 274.A N LEU 270.A O no hydrogen 2.876 N/A ALA 275.A N TYR 271.A O no hydrogen 2.905 N/A HIS 276.A N LEU 273.A O no hydrogen 3.412 N/A ILE 283.A N PRO 279.A O no hydrogen 3.270 N/A LEU 284.A N ALA 280.A O no hydrogen 2.871 N/A LYS 285.A N ASN 281.A O no hydrogen 2.904 N/A GLU 286.A N ILE 282.A O no hydrogen 2.923 N/A LEU 287.A N ILE 283.A O no hydrogen 2.865 N/A THR 288.A N LEU 284.A O no hydrogen 2.906 N/A THR 288.A OG1 LEU 284.A O no hydrogen 2.720 N/A PHE 289.A N LYS 285.A O no hydrogen 2.921 N/A SER 290.A N GLU 286.A O no hydrogen 2.901 N/A SER 290.A OG GLU 286.A O no hydrogen 3.174 N/A LEU 291.A N LEU 287.A O no hydrogen 2.894 N/A LEU 292.A N THR 288.A O no hydrogen 2.889 N/A ASP 293.A N SER 290.A O no hydrogen 3.278 N/A VAL 294.A N LEU 291.A O no hydrogen 3.283 N/A GLU 295.A N GLU 295.A OE2 no hydrogen 2.644 N/A ASN 298.A N ASN 298.A OD1 no hydrogen 2.603 N/A LYS 302.A N ASN 298.A O no hydrogen 3.023 N/A SER 303.A N THR 299.A O no hydrogen 2.924 N/A SER 303.A OG THR 299.A O no hydrogen 3.496 N/A SER 303.A OG THR 300.A O no hydrogen 3.081 N/A SER 304.A N THR 300.A O no hydrogen 3.406 N/A ILE 305.A N ASN 301.A O no hydrogen 2.899 N/A ILE 306.A N LYS 302.A O no hydrogen 2.893 N/A GLU 307.A N SER 303.A O no hydrogen 2.957 N/A TYR 308.A N SER 304.A O no hydrogen 2.921 N/A SER 309.A N ILE 305.A O no hydrogen 2.872 N/A SER 309.A OG ILE 305.A O no hydrogen 2.973 N/A SER 309.A OG ILE 306.A O no hydrogen 2.635 N/A SER 310.A N ILE 306.A O no hydrogen 2.949 N/A SER 310.A OG GLU 307.A O no hydrogen 2.770 N/A VAL 311.A N GLU 307.A O no hydrogen 2.963 N/A PHE 312.A N TYR 308.A O no hydrogen 2.878 N/A ASP 313.A N SER 309.A O no hydrogen 2.819 N/A GLU 314.A N SER 310.A O no hydrogen 2.976 N/A ARG 315.A N VAL 311.A O no hydrogen 2.943 N/A LEU 316.A N PHE 312.A O no hydrogen 2.844 N/A SER 317.A N ASP 313.A O no hydrogen 2.912 N/A LEU 318.A N GLU 314.A O no hydrogen 2.928 N/A GLY 319.A N LEU 316.A O no hydrogen 3.111 N/A HIS 325.A N ALA 322.A O no hydrogen 3.172 N/A LEU 326.A N ALA 322.A O no hydrogen 2.952 N/A GLU 327.A N ILE 323.A O no hydrogen 2.905 N/A PHE 329.A N HIS 325.A O no hydrogen 2.939 N/A ILE 330.A N LEU 326.A O no hydrogen 2.968 N/A ALA 331.A N GLU 327.A O no hydrogen 2.871 N/A LYS 332.A N GLY 328.A O no hydrogen 2.936 N/A VAL 333.A N PHE 329.A O no hydrogen 2.926 N/A MET 334.A N ILE 330.A O no hydrogen 2.888 N/A CYS 335.A N ALA 331.A O no hydrogen 2.901 N/A CYS 336.A N LYS 332.A O no hydrogen 2.898 N/A CYS 336.A SG ASN 301.A O no hydrogen 3.683 N/A CYS 336.A SG ASN 301.A OD1 no hydrogen 3.805 N/A LEU 337.A N VAL 333.A O no hydrogen 3.076 N/A