Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bu5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ASP 1.A O no hydrogen 3.373 N/A VAL 5.A N VAL 76.A O no hydrogen 2.848 N/A ARG 7.A NH1 PRO 82.A O no hydrogen 3.011 N/A ARG 7.A NH2 LYS 79.A O no hydrogen 2.930 N/A ARG 7.A NH2 PRO 82.A O no hydrogen 2.914 N/A LYS 9.A N SER 6.A O no hydrogen 3.027 N/A ILE 10.A N ARG 7.A O no hydrogen 3.032 N/A THR 11.A N ASN 25.A O no hydrogen 2.716 N/A LEU 13.A N GLU 23.A O no hydrogen 2.877 N/A ARG 14.A N GLU 23.A O no hydrogen 3.433 N/A ARG 14.A NE GLU 23.A OE1 no hydrogen 3.372 N/A LEU 16.A N VAL 21.A O no hydrogen 2.824 N/A GLY 17.A N VAL 21.A O no hydrogen 3.301 N/A VAL 21.A N GLY 17.A O no hydrogen 3.006 N/A TYR 22.A N VAL 40.A O no hydrogen 2.775 N/A GLU 23.A N ARG 14.A O no hydrogen 2.857 N/A GLY 24.A N VAL 38.A O no hydrogen 2.854 N/A ASN 25.A N THR 11.A O no hydrogen 2.634 N/A ALA 26.A N THR 36.A O no hydrogen 2.748 N/A ARG 27.A N LYS 9.A O no hydrogen 2.865 N/A ARG 27.A NH2 GLU 8.A O no hydrogen 3.104 N/A ARG 27.A NH2 GLU 8.A OE1 no hydrogen 2.559 N/A ASP 28.A N ALA 34.A O no hydrogen 2.748 N/A GLU 33.A N ILE 30.A O no hydrogen 2.988 N/A THR 36.A N ALA 26.A O no hydrogen 2.717 N/A THR 36.A OG1 GLU 33.A OE1 no hydrogen 2.653 N/A ARG 37.A NE GLU 23.A OE2 no hydrogen 2.808 N/A VAL 38.A N GLY 24.A O no hydrogen 2.818 N/A ALA 39.A N MET 87.A O no hydrogen 2.911 N/A VAL 40.A N TYR 22.A O no hydrogen 2.758 N/A LYS 41.A N VAL 85.A O no hydrogen 2.940 N/A LYS 41.A NZ GLU 58.A OE2 no hydrogen 3.130 N/A THR 42.A N MET 20.A O no hydrogen 3.243 N/A THR 42.A OG1 MET 20.A O no hydrogen 3.049 N/A ALA 47.A N ASN 44.A O no hydrogen 3.451 N/A SER 48.A N GLU 51.A OE1 no hydrogen 2.890 N/A GLU 51.A N SER 48.A OG no hydrogen 3.262 N/A ARG 52.A N SER 48.A O no hydrogen 2.934 N/A ARG 52.A NH1 ALA 47.A O no hydrogen 3.173 N/A ILE 53.A N LEU 49.A O no hydrogen 2.939 N/A GLU 54.A N ARG 50.A O no hydrogen 2.909 N/A PHE 55.A N GLU 51.A O no hydrogen 2.991 N/A LEU 56.A N ARG 52.A O no hydrogen 3.300 N/A ASN 57.A N ILE 53.A O no hydrogen 2.922 N/A GLU 58.A N GLU 54.A O no hydrogen 2.837 N/A ALA 59.A N PHE 55.A O no hydrogen 3.164 N/A SER 60.A N LEU 56.A O no hydrogen 3.064 N/A VAL 61.A N ASN 57.A O no hydrogen 2.844 N/A MET 62.A N GLU 58.A O no hydrogen 3.208 N/A LYS 63.A N SER 60.A O no hydrogen 3.142 N/A GLY 64.A N VAL 61.A O no hydrogen 3.385 N/A PHE 65.A N MET 62.A O no hydrogen 3.201 N/A THR 66.A N TYR 133.A OH no hydrogen 2.769 N/A HIS 69.A ND1 ASP 129.A OD2 no hydrogen 2.607 N/A VAL 70.A N CYS 67.A O no hydrogen 3.012 N/A VAL 71.A N ILE 159.A O no hydrogen 2.932 N/A ARG 72.A N GLU 88.A OE2 no hydrogen 3.030 N/A LEU 74.A N VAL 86.A O no hydrogen 2.735 N/A GLY 75.A N VAL 86.A O no hydrogen 3.201 N/A VAL 76.A N TRP 3.A O no hydrogen 2.754 N/A VAL 77.A N LEU 84.A O no hydrogen 2.795 N/A SER 78.A N GLU 4.A OE2 no hydrogen 2.765 N/A SER 78.A OG GLU 4.A OE1 no hydrogen 2.335 N/A SER 78.A OG GLU 4.A OE2 no hydrogen 3.266 N/A LYS 79.A N GLU 4.A OE2 no hydrogen 3.085 N/A LEU 84.A N VAL 77.A O no hydrogen 2.983 N/A VAL 85.A N LYS 41.A O no hydrogen 2.976 N/A VAL 86.A N GLY 75.A O no hydrogen 2.796 N/A MET 87.A N ALA 39.A O no hydrogen 2.847 N/A GLU 88.A N ARG 72.A O no hydrogen 2.930 N/A HIS 92.A N VAL 151.A O no hydrogen 2.819 N/A GLY 93.A N MET 90.A O no hydrogen 2.982 N/A LEU 95.A N CYS 149.A O no hydrogen 2.781 N/A LYS 96.A NZ GLN 216.A OE1 no hydrogen 2.930 N/A SER 97.A N ASP 94.A OD2 no hydrogen 2.880 N/A SER 97.A OG ASP 94.A OD1 no hydrogen 2.493 N/A SER 97.A OG ASP 94.A OD2 no hydrogen 3.160 N/A TYR 98.A N ASP 94.A O no hydrogen 2.939 N/A LEU 99.A N LEU 95.A O no hydrogen 2.767 N/A ARG 100.A N LYS 96.A O no hydrogen 3.007 N/A ARG 100.A NE ALA 214.A O no hydrogen 2.736 N/A ARG 100.A NH2 ALA 214.A O no hydrogen 2.875 N/A SER 101.A N SER 97.A O no hydrogen 2.898 N/A SER 101.A OG TYR 98.A O no hydrogen 2.555 N/A LEU 102.A N LEU 99.A O no hydrogen 2.985 N/A ARG 103.A N ARG 100.A O no hydrogen 3.265 N/A ARG 103.A NE LEU 213.A O no hydrogen 3.080 N/A ARG 103.A NH2 LEU 213.A O no hydrogen 2.987 N/A ALA 106.A N ARG 103.A O no hydrogen 3.048 N/A ASN 109.A N ALA 106.A O no hydrogen 2.958 N/A ASN 109.A ND2 ARG 103.A O no hydrogen 2.795 N/A GLY 111.A N ASN 109.A OD1 no hydrogen 2.902 N/A THR 116.A N GLU 119.A OE1 no hydrogen 2.997 N/A GLU 119.A N THR 116.A OG1 no hydrogen 3.214 N/A MET 120.A N THR 116.A O no hydrogen 3.031 N/A ILE 121.A N LEU 117.A O no hydrogen 2.873 N/A GLN 122.A N GLN 118.A O no hydrogen 2.954 N/A GLN 122.A NE2 GLU 126.A OE2 no hydrogen 2.761 N/A MET 123.A N GLU 119.A O no hydrogen 2.916 N/A ALA 124.A N MET 120.A O no hydrogen 2.926 N/A ALA 125.A N ILE 121.A O no hydrogen 2.956 N/A GLU 126.A N GLN 122.A O no hydrogen 3.005 N/A ILE 127.A N MET 123.A O no hydrogen 2.880 N/A ALA 128.A N ALA 124.A O no hydrogen 2.863 N/A ASP 129.A N ALA 125.A O no hydrogen 2.853 N/A GLY 130.A N GLU 126.A O no hydrogen 3.039 N/A MET 131.A N ILE 127.A O no hydrogen 2.990 N/A ALA 132.A N ALA 128.A O no hydrogen 2.828 N/A TYR 133.A N ASP 129.A O no hydrogen 2.974 N/A LEU 134.A N GLY 130.A O no hydrogen 2.972 N/A ASN 135.A N MET 131.A O no hydrogen 2.929 N/A ALA 136.A N ALA 132.A O no hydrogen 2.956 N/A LYS 137.A N TYR 133.A O no hydrogen 2.941 N/A LYS 138.A N ASN 135.A O no hydrogen 2.783 N/A LYS 138.A NZ ASP 171.A OD1 no hydrogen 3.011 N/A PHE 139.A N LEU 134.A O no hydrogen 3.090 N/A VAL 140.A N ARG 166.A O no hydrogen 2.844 N/A HIS 141.A N ASP 199.A OD2 no hydrogen 2.854 N/A HIS 141.A NE2 GLY 160.A O no hydrogen 2.942 N/A ARG 142.A N ASP 199.A OD1 no hydrogen 3.049 N/A ARG 142.A NH1 MET 164.A O no hydrogen 2.947 N/A ASP 143.A N HIS 141.A ND1 no hydrogen 3.187 N/A ALA 146.A N GLU 209.A OE1 no hydrogen 2.936 N/A ARG 147.A NH2 ASP 143.A OD1 no hydrogen 2.993 N/A ASN 148.A N ALA 145.A O no hydrogen 3.036 N/A ASN 148.A ND2 ASP 143.A O no hydrogen 2.775 N/A CYS 149.A N ALA 146.A O no hydrogen 3.021 N/A CYS 149.A SG ALA 145.A O no hydrogen 3.500 N/A MET 150.A N LYS 158.A O no hydrogen 2.857 N/A VAL 151.A N GLY 93.A O no hydrogen 2.656 N/A ALA 152.A N THR 156.A O no hydrogen 2.821 N/A PHE 155.A N ALA 152.A O no hydrogen 3.030 N/A THR 156.A N ASP 154.A OD1 no hydrogen 3.134 N/A THR 156.A OG1 ASP 154.A OD1 no hydrogen 2.918 N/A THR 156.A OG1 ASP 154.A OD2 no hydrogen 3.265 N/A VAL 157.A N GLU 126.A OE1 no hydrogen 3.063 N/A LYS 158.A N MET 150.A O no hydrogen 2.937 N/A LYS 158.A NZ HIS 68.A O no hydrogen 3.260 N/A LYS 158.A NZ GLU 88.A OE1 no hydrogen 2.442 N/A LYS 158.A NZ GLU 88.A OE2 no hydrogen 3.382 N/A ILE 159.A N HIS 69.A O no hydrogen 2.936 N/A GLY 160.A N ASN 148.A O no hydrogen 2.819 N/A GLY 163.A N ASP 161.A OD1 no hydrogen 3.093 N/A THR 165.A N PHE 162.A O no hydrogen 3.143 N/A THR 165.A OG1 HIS 141.A O no hydrogen 3.432 N/A ARG 166.A N VAL 140.A O no hydrogen 2.900 N/A ARG 166.A NH1 GLY 163.A O no hydrogen 3.422 N/A ARG 166.A NH1 THR 165.A O no hydrogen 2.747 N/A ILE 168.A N LYS 138.A O no hydrogen 2.896 N/A ASP 171.A N ILE 168.A O no hydrogen 2.915 N/A LYS 173.A N GLY 192.A O no hydrogen 2.872 N/A VAL 181.A N LEU 179.A O no hydrogen 2.903 N/A ARG 182.A NH1 PRO 217.A O no hydrogen 2.945 N/A ARG 182.A NH1 TYR 218.A O no hydrogen 2.781 N/A ARG 182.A NH1 LEU 221.A O no hydrogen 3.058 N/A ARG 182.A NH2 LEU 221.A O no hydrogen 2.740 N/A ARG 182.A NH2 ASN 223.A OD1 no hydrogen 3.180 N/A TRP 183.A N PRO 180.A O no hydrogen 2.880 N/A TRP 183.A NE1 GLU 209.A OE1 no hydrogen 2.931 N/A MET 184.A N VAL 181.A O no hydrogen 3.257 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.793 N/A SER 188.A N ALA 185.A O no hydrogen 3.089 N/A SER 188.A OG VAL 193.A O no hydrogen 2.608 N/A LEU 189.A N ALA 185.A O no hydrogen 3.104 N/A LYS 190.A N PRO 186.A O no hydrogen 2.810 N/A ASP 191.A N GLU 187.A O no hydrogen 2.784 N/A THR 195.A N SER 198.A OG no hydrogen 2.853 N/A SER 198.A N THR 195.A OG1 no hydrogen 3.263 N/A SER 198.A OG THR 195.A O no hydrogen 2.864 N/A ASP 199.A N THR 195.A O no hydrogen 2.973 N/A MET 200.A N THR 196.A O no hydrogen 2.909 N/A TRP 201.A N SER 197.A O no hydrogen 3.205 N/A SER 202.A N SER 198.A O no hydrogen 3.380 N/A SER 202.A OG TRP 183.A O no hydrogen 2.694 N/A SER 202.A OG SER 198.A O no hydrogen 3.453 N/A PHE 203.A N ASP 199.A O no hydrogen 2.915 N/A GLY 204.A N MET 200.A O no hydrogen 3.049 N/A VAL 205.A N TRP 201.A O no hydrogen 3.188 N/A VAL 206.A N SER 202.A O no hydrogen 2.826 N/A LEU 207.A N PHE 203.A O no hydrogen 2.918 N/A TRP 208.A N GLY 204.A O no hydrogen 3.010 N/A TRP 208.A NE1 ASP 237.A O no hydrogen 2.901 N/A GLU 209.A N VAL 205.A O no hydrogen 2.767 N/A ILE 210.A N VAL 206.A O no hydrogen 2.876 N/A THR 211.A N LEU 207.A O no hydrogen 3.161 N/A THR 211.A OG1 LEU 207.A O no hydrogen 3.257 N/A THR 211.A OG1 TRP 208.A O no hydrogen 3.394 N/A SER 212.A N TRP 208.A O no hydrogen 2.959 N/A SER 212.A N GLU 209.A O no hydrogen 3.313 N/A SER 212.A OG TRP 208.A O no hydrogen 3.108 N/A SER 212.A OG GLU 209.A O no hydrogen 3.461 N/A LEU 213.A N ILE 210.A O no hydrogen 3.351 N/A ALA 214.A N GLU 209.A O no hydrogen 2.654 N/A GLU 215.A N SER 212.A OG no hydrogen 3.027 N/A LEU 221.A N TYR 218.A O no hydrogen 3.134 N/A SER 222.A N GLN 225.A OE1 no hydrogen 2.903 N/A SER 222.A OG GLN 225.A OE1 no hydrogen 3.195 N/A GLN 225.A N SER 222.A OG no hydrogen 3.226 N/A VAL 226.A N SER 222.A O no hydrogen 2.944 N/A LEU 227.A N ASN 223.A O no hydrogen 3.033 N/A LYS 228.A N GLU 224.A O no hydrogen 3.246 N/A PHE 229.A N GLN 225.A O no hydrogen 2.750 N/A VAL 230.A N VAL 226.A O no hydrogen 2.843 N/A MET 231.A N LEU 227.A O no hydrogen 3.281 N/A ASP 232.A N LYS 228.A O no hydrogen 3.064 N/A ASP 232.A N PHE 229.A O no hydrogen 3.194 N/A GLY 233.A N VAL 230.A O no hydrogen 3.028 N/A GLY 234.A N PHE 229.A O no hydrogen 2.858 N/A CYS 242.A N PRO 239.A O no hydrogen 3.118 N/A CYS 242.A SG THR 211.A OG1 no hydrogen 3.534 N/A CYS 242.A SG GLN 238.A OE1 no hydrogen 3.804 N/A CYS 242.A SG PRO 243.A O no hydrogen 3.539 N/A CYS 242.A SG THR 247.A OG1 no hydrogen 3.449 N/A ARG 245.A NH1 ASP 274.A OD2 no hydrogen 3.565 N/A ARG 245.A NH2 ASP 274.A OD2 no hydrogen 2.658 N/A VAL 246.A N PRO 243.A O no hydrogen 3.144 N/A THR 247.A N PRO 243.A O no hydrogen 3.167 N/A THR 247.A OG1 GLN 238.A OE1 no hydrogen 2.623 N/A ASP 248.A N GLU 244.A O no hydrogen 2.952 N/A LEU 249.A N ARG 245.A O no hydrogen 3.428 N/A MET 250.A N VAL 246.A O no hydrogen 2.916 N/A ARG 251.A N THR 247.A O no hydrogen 3.027 N/A MET 252.A N ASP 248.A O no hydrogen 3.252 N/A CYS 253.A N LEU 249.A O no hydrogen 3.049 N/A CYS 253.A SG LEU 249.A O no hydrogen 3.404 N/A TRP 254.A N ARG 251.A O no hydrogen 3.315 N/A TRP 254.A NE1 TRP 201.A O no hydrogen 3.183 N/A GLN 255.A NE2 MET 260.A O no hydrogen 3.474 N/A ASN 259.A N ASN 257.A OD1 no hydrogen 3.074 N/A ASN 259.A ND2 ASN 257.A OD1 no hydrogen 3.094 N/A MET 260.A N ASN 257.A O no hydrogen 2.893 N/A ARG 261.A N PRO 258.A O no hydrogen 3.290 N/A ARG 261.A NE GLN 255.A O no hydrogen 2.765 N/A ARG 261.A NH1 GLU 187.A OE1 no hydrogen 3.564 N/A ARG 261.A NH1 GLU 187.A OE2 no hydrogen 2.833 N/A ARG 261.A NH1 SER 197.A O no hydrogen 3.024 N/A ARG 261.A NH2 GLU 187.A OE1 no hydrogen 3.036 N/A ARG 261.A NH2 GLN 255.A O no hydrogen 2.955 N/A THR 263.A N GLU 266.A OE1 no hydrogen 3.004 N/A GLU 266.A N THR 263.A OG1 no hydrogen 3.140 N/A ILE 267.A N THR 263.A O no hydrogen 3.142 N/A VAL 268.A N PHE 264.A O no hydrogen 3.049 N/A ASN 269.A N LEU 265.A O no hydrogen 2.856 N/A LEU 270.A N GLU 266.A O no hydrogen 2.966 N/A LEU 271.A N ILE 267.A O no hydrogen 3.183 N/A LEU 271.A N VAL 268.A O no hydrogen 3.052 N/A LYS 272.A N ASN 269.A O no hydrogen 3.457 N/A ASP 274.A N LEU 271.A O no hydrogen 2.933 N/A HIS 276.A N GLN 122.A OE1 no hydrogen 2.966 N/A SER 278.A N HIS 276.A ND1 no hydrogen 2.896 N/A SER 278.A OG HIS 276.A ND1 no hydrogen 2.760 N/A PHE 279.A N HIS 276.A O no hydrogen 2.979 N/A GLU 281.A N SER 278.A O no hydrogen 2.937 N/A VAL 282.A N PHE 279.A O no hydrogen 3.116 N/A SER 283.A N PHE 279.A O no hydrogen 2.795 N/A SER 283.A OG HIS 286.A ND1 no hydrogen 2.768 N/A PHE 284.A N ASP 129.A OD2 no hydrogen 2.825 N/A PHE 285.A N ASP 129.A OD1 no hydrogen 2.917 N/A HIS 286.A N SER 283.A OG no hydrogen 2.735 N/A HIS 286.A ND1 SER 283.A OG no hydrogen 2.768 N/A SER 287.A N PHE 284.A O no hydrogen 3.041 N/A SER 287.A OG PHE 284.A O no hydrogen 2.683 N/A ASN 290.A N SER 287.A O no hydrogen 3.040 N/A ASN 290.A ND2 PHE 285.A O no hydrogen 2.891 N/A LYS 291.A N GLU 289.A O no hydrogen 2.892 N/A