Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4l00_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A N LYS 135.A O no hydrogen 3.533 N/A GLN 9.A N PRO 6.A O no hydrogen 3.018 N/A GLN 9.A NE2 VAL 4.A O no hydrogen 2.789 N/A LEU 10.A N MET 7.A O no hydrogen 3.124 N/A ASP 13.A N SER 11.A OG.A no hydrogen 3.399 N/A ARG 14.A N SER 11.A OG.A no hydrogen 3.179 N/A LYS 17.A NZ ASP 87.A OD1 no hydrogen 3.201 N/A LYS 18.A NZ ASP 19.A OD1 no hydrogen 3.439 N/A LYS 18.A NZ ASP 19.A OD2 no hydrogen 3.263 N/A ASP 19.A N LEU 16.A O no hydrogen 2.934 N/A LEU 20.A N LYS 17.A O no hydrogen 3.180 N/A VAL 21.A N THR 38.A O no hydrogen 2.808 N/A GLY 23.A N SER 36.A O no hydrogen 2.690 N/A HIS 25.A NE2 HIS 33.A ND1 no hydrogen 2.823 N/A LEU 26.A N ILE 34.A O no hydrogen 2.723 N/A GLY 27.A N ILE 34.A O no hydrogen 3.276 N/A GLY 29.A N THR 32.A O no hydrogen 3.012 N/A ARG 31.A NE GLU 178.A OE2 no hydrogen 2.718 N/A ARG 31.A NH2 GLU 178.A OE1 no hydrogen 2.854 N/A ARG 31.A NH2 GLU 178.A OE2 no hydrogen 3.291 N/A THR 32.A N GLY 29.A O no hydrogen 3.220 N/A HIS 33.A N VAL 50.A O no hydrogen 3.010 N/A HIS 33.A ND1 HIS 25.A NE2 no hydrogen 2.823 N/A ILE 34.A N GLY 27.A O no hydrogen 2.803 N/A TYR 35.A N LEU 48.A O no hydrogen 2.876 N/A SER 36.A N GLU 24.A O no hydrogen 2.974 N/A GLY 37.A N VAL 46.A O no hydrogen 2.904 N/A THR 38.A N VAL 21.A O no hydrogen 2.907 N/A LEU 39.A N ILE 44.A O no hydrogen 2.791 N/A MET 40.A N ASP 19.A O no hydrogen 2.856 N/A ASP 41.A N LYS 42.A O no hydrogen 3.109 N/A ILE 44.A N LEU 39.A O no hydrogen 3.003 N/A VAL 46.A N GLY 37.A O no hydrogen 2.966 N/A ILE 47.A N GLU 94.A O no hydrogen 2.885 N/A LEU 48.A N TYR 35.A O no hydrogen 2.778 N/A LYS 49.A N MET 92.A O no hydrogen 2.940 N/A LYS 49.A NZ ASP 166.A OD1 no hydrogen 3.068 N/A LYS 49.A NZ ASP 166.A OD2 no hydrogen 2.933 N/A VAL 50.A N HIS 33.A O no hydrogen 2.795 N/A LEU 51.A N ASN 90.A O no hydrogen 2.897 N/A ASP 52.A N ARG 31.A O no hydrogen 2.871 N/A SER 54.A OG ASP 52.A O no hydrogen 2.525 N/A SER 59.A N HIS 55.A O no hydrogen 3.070 N/A SER 59.A OG HIS 55.A O no hydrogen 3.212 N/A SER 59.A OG ASN 90.A OD1 no hydrogen 3.526 N/A LEU 60.A N ARG 56.A O no hydrogen 2.947 N/A ALA 61.A N ASP 57.A O no hydrogen 3.215 N/A PHE 62.A N ILE 58.A O no hydrogen 2.936 N/A PHE 63.A N SER 59.A O no hydrogen 2.937 N/A GLU 64.A N LEU 60.A O no hydrogen 2.816 N/A ALA 65.A N ALA 61.A O no hydrogen 3.038 N/A ALA 66.A N PHE 62.A O no hydrogen 3.019 N/A SER 67.A N PHE 63.A O no hydrogen 2.821 N/A MET 68.A N GLU 64.A O no hydrogen 2.974 N/A MET 69.A N ALA 65.A O no hydrogen 3.068 N/A ARG 70.A N ALA 66.A O no hydrogen 2.890 N/A ARG 70.A NH1 ARG 70.A O no hydrogen 3.527 N/A GLN 71.A N SER 67.A O no hydrogen 2.993 N/A GLN 71.A NE2 GLN 9.A OE1 no hydrogen 3.090 N/A VAL 72.A N MET 68.A O no hydrogen 3.052 N/A SER 73.A N TYR 131.A OH no hydrogen 2.928 N/A HIS 76.A N HIS 74.A ND1 no hydrogen 2.989 N/A HIS 76.A ND1 ILE 162.A O no hydrogen 2.812 N/A ILE 77.A N HIS 74.A O no hydrogen 3.080 N/A VAL 78.A N LEU 164.A O no hydrogen 2.843 N/A TYR 79.A N GLU 95.A OE2 no hydrogen 2.790 N/A TYR 81.A N VAL 93.A O no hydrogen 2.816 N/A GLY 82.A N VAL 93.A O no hydrogen 3.347 N/A CYS 84.A N ILE 91.A O no hydrogen 2.944 N/A CYS 84.A SG ILE 15.A O no hydrogen 3.588 N/A ARG 86.A N GLU 89.A O no hydrogen 2.850 N/A ARG 86.A NE GLU 89.A OE1 no hydrogen 3.127 N/A ARG 86.A NH1 GLN 22.A OE1 no hydrogen 2.691 N/A ARG 86.A NH2 GLN 22.A OE1 no hydrogen 2.799 N/A ARG 86.A NH2 GLU 89.A OE1 no hydrogen 2.797 N/A GLU 89.A N ARG 86.A O no hydrogen 2.883 N/A ILE 91.A N CYS 84.A O no hydrogen 2.978 N/A MET 92.A N LYS 49.A O no hydrogen 2.917 N/A VAL 93.A N GLY 82.A O no hydrogen 2.875 N/A GLU 94.A N ILE 47.A O no hydrogen 2.945 N/A GLU 95.A N TYR 79.A O no hydrogen 2.954 N/A GLY 100.A N VAL 97.A O no hydrogen 3.126 N/A LEU 102.A N LEU 147.A O no hydrogen 2.791 N/A PHE 105.A N PRO 101.A O no hydrogen 3.226 N/A MET 106.A N LEU 102.A O no hydrogen 2.926 N/A HIS 107.A N ASP 103.A O no hydrogen 2.874 N/A HIS 107.A NE2 GLY 217.A O no hydrogen 2.601 N/A ARG 108.A N LEU 104.A O no hydrogen 3.042 N/A LYS 109.A N PHE 105.A O no hydrogen 2.888 N/A SER 110.A OG ASP 111.A OD1 no hydrogen 3.258 N/A VAL 112.A N LYS 109.A O no hydrogen 2.974 N/A TRP 117.A N THR 114.A OG1 no hydrogen 3.304 N/A TRP 117.A NE1 GLU 152.A O no hydrogen 2.824 N/A LYS 118.A N THR 114.A O no hydrogen 3.075 N/A LYS 118.A NZ ILE 213.A O no hydrogen 3.395 N/A LYS 118.A NZ CYS 214.A O no hydrogen 2.951 N/A LYS 118.A NZ ASN 216.A OD1 no hydrogen 2.839 N/A PHE 119.A N THR 115.A O no hydrogen 2.945 N/A LYS 120.A N PRO 116.A O no hydrogen 2.894 N/A VAL 121.A N TRP 117.A O no hydrogen 3.116 N/A ALA 122.A N LYS 118.A O no hydrogen 3.038 N/A LYS 123.A N PHE 119.A O no hydrogen 2.961 N/A LYS 123.A NZ ASN 273.A OD1 no hydrogen 3.271 N/A LYS 123.A NZ GLU 276.A OE1 no hydrogen 3.223 N/A LYS 123.A NZ GLU 276.A OE2 no hydrogen 2.983 N/A GLN 124.A N LYS 120.A O no hydrogen 2.940 N/A GLN 124.A NE2 PRO 160.A O no hydrogen 2.965 N/A LEU 125.A N VAL 121.A O no hydrogen 2.989 N/A ALA 126.A N ALA 122.A O no hydrogen 2.901 N/A SER 127.A N LYS 123.A O no hydrogen 2.914 N/A SER 127.A OG.A HIS 74.A NE2 no hydrogen 3.190 N/A SER 127.A OG.B GLN 124.A O no hydrogen 2.599 N/A ALA 128.A N GLN 124.A O no hydrogen 3.083 N/A LEU 129.A N LEU 125.A O no hydrogen 2.940 N/A SER 130.A N ALA 126.A O no hydrogen 2.687 N/A TYR 131.A N SER 127.A O no hydrogen 3.149 N/A LEU 132.A N ALA 128.A O no hydrogen 3.084 N/A GLU 133.A N LEU 129.A O no hydrogen 2.847 N/A ASP 134.A N SER 130.A O no hydrogen 2.941 N/A LYS 135.A N TYR 131.A O no hydrogen 3.193 N/A LYS 135.A N LEU 132.A O no hydrogen 3.034 N/A LYS 135.A NZ TYR 131.A O no hydrogen 3.353 N/A LYS 135.A NZ ASP 134.A OD2.B no hydrogen 3.094 N/A ASP 136.A N GLU 133.A O no hydrogen 2.988 N/A LEU 137.A N LEU 132.A O no hydrogen 2.950 N/A HIS 139.A N ASP 202.A OD2 no hydrogen 2.800 N/A HIS 139.A NE2 SER 165.A O no hydrogen 2.750 N/A GLY 140.A N ASP 202.A OD1 no hydrogen 2.800 N/A ASN 141.A N HIS 139.A ND1 no hydrogen 2.982 N/A ASN 141.A ND2 PRO 167.A O no hydrogen 3.035 N/A CYS 143.A SG ASN 141.A O no hydrogen 3.741 N/A THR 144.A N GLU 212.A OE1 no hydrogen 2.948 N/A THR 144.A OG1 GLU 212.A OE2 no hydrogen 2.665 N/A ASN 146.A N CYS 143.A O no hydrogen 2.982 N/A ASN 146.A ND2 ASN 141.A O no hydrogen 2.865 N/A LEU 147.A N THR 144.A O no hydrogen 3.088 N/A LEU 148.A N LYS 163.A O no hydrogen 2.812 N/A LEU 149.A N GLY 100.A O no hydrogen 2.841 N/A ALA 150.A N PHE 161.A O no hydrogen 2.749 N/A ARG 151.A N PHE 161.A O no hydrogen 3.263 N/A ARG 151.A NH1 GLY 159.A O no hydrogen 2.636 N/A SER 156.A OG CYS 158.A O no hydrogen 2.806 N/A CYS 158.A N SER 156.A OG no hydrogen 2.800 N/A PHE 161.A N ARG 151.A O no hydrogen 3.044 N/A ILE 162.A N GLN 124.A OE1 no hydrogen 2.927 N/A LYS 163.A N LEU 148.A O no hydrogen 2.800 N/A LYS 163.A NZ GLU 95.A OE1 no hydrogen 3.402 N/A LYS 163.A NZ GLU 95.A OE2 no hydrogen 3.466 N/A LEU 164.A N HIS 76.A O no hydrogen 2.796 N/A SER 165.A N ASN 146.A O no hydrogen 2.875 N/A SER 165.A OG ASP 166.A OD1 no hydrogen 3.390 N/A GLY 168.A N ASP 166.A OD2 no hydrogen 2.773 N/A VAL 173.A N PRO 170.A O no hydrogen 3.089 N/A LEU 174.A N ILE 171.A O no hydrogen 2.957 N/A SER 175.A N GLU 178.A OE1 no hydrogen 2.916 N/A SER 175.A OG GLU 178.A OE1 no hydrogen 3.232 N/A ARG 176.A NH2 GLU 230.A OE2 no hydrogen 3.439 N/A GLU 178.A N SER 175.A OG no hydrogen 3.077 N/A CYS 179.A N SER 175.A O no hydrogen 2.963 N/A CYS 179.A SG SER 175.A O no hydrogen 3.515 N/A ILE 180.A N ARG 176.A O no hydrogen 2.880 N/A GLU 181.A N GLN 177.A O no hydrogen 2.947 N/A ARG 182.A N CYS 179.A O no hydrogen 3.055 N/A ARG 182.A NH1 GLY 140.A O no hydrogen 3.028 N/A ARG 182.A NH2 THR 30.A OG1 no hydrogen 3.135 N/A ILE 183.A N ILE 180.A O no hydrogen 2.979 N/A TRP 185.A N ARG 182.A O no hydrogen 2.879 N/A TRP 185.A NE1 GLU 212.A OE1 no hydrogen 2.755 N/A ILE 186.A N ARG 182.A O no hydrogen 3.121 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.759 N/A CYS 190.A N ALA 187.A O no hydrogen 2.899 N/A GLU 192.A N PRO 188.A O no hydrogen 3.170 N/A ASP 193.A N GLU 189.A O no hydrogen 3.072 N/A SER 194.A OG THR 172.A O no hydrogen 3.419 N/A LYS 195.A N ASP 193.A OD1 no hydrogen 2.917 N/A ASN 196.A N ASP 193.A O no hydrogen 2.813 N/A ASN 196.A ND2 GLU 189.A O no hydrogen 2.915 N/A LEU 197.A N SER 194.A O no hydrogen 3.169 N/A ALA 200.A N SER 198.A OG no hydrogen 3.197 N/A ALA 201.A N SER 198.A O no hydrogen 2.920 N/A ASP 202.A N VAL 199.A O no hydrogen 3.220 N/A LYS 203.A N ALA 200.A O no hydrogen 3.130 N/A LYS 203.A NZ GLU 133.A OE2 no hydrogen 2.701 N/A TRP 204.A NE1 PRO 184.A O no hydrogen 2.953 N/A SER 205.A N ALA 201.A O no hydrogen 3.270 N/A SER 205.A OG TRP 185.A O no hydrogen 2.710 N/A SER 205.A OG ALA 201.A O no hydrogen 3.365 N/A PHE 206.A N ASP 202.A O no hydrogen 2.885 N/A GLY 207.A N LYS 203.A O no hydrogen 3.172 N/A THR 208.A N TRP 204.A O no hydrogen 3.189 N/A THR 208.A OG1 PRO 184.A O no hydrogen 2.678 N/A THR 209.A N SER 205.A O no hydrogen 2.931 N/A THR 209.A OG1 SER 205.A O no hydrogen 2.914 N/A LEU 210.A N PHE 206.A O no hydrogen 2.959 N/A TRP 211.A N GLY 207.A O no hydrogen 2.998 N/A TRP 211.A NE1 VAL 240.A O no hydrogen 2.765 N/A GLU 212.A N THR 208.A O no hydrogen 3.033 N/A ILE 213.A N THR 209.A O no hydrogen 3.005 N/A CYS 214.A N LEU 210.A O no hydrogen 2.918 N/A CYS 214.A SG LEU 210.A O no hydrogen 3.357 N/A TYR 215.A N TRP 211.A O no hydrogen 2.964 N/A TYR 215.A OH THR 241.A O no hydrogen 3.149 N/A ASN 216.A N ILE 213.A O no hydrogen 3.146 N/A GLY 217.A N GLU 212.A O no hydrogen 2.839 N/A GLU 218.A N TYR 215.A O no hydrogen 3.087 N/A LYS 224.A N LEU 221.A O no hydrogen 3.057 N/A THR 225.A N GLU 228.A OE1 no hydrogen 2.879 N/A THR 225.A OG1 GLU 228.A OE1 no hydrogen 2.824 N/A GLU 228.A N THR 225.A OG1 no hydrogen 3.204 N/A LYS 229.A N THR 225.A O no hydrogen 2.984 N/A LYS 229.A NZ GLU 181.A O no hydrogen 2.964 N/A LYS 229.A NZ ILE 183.A O no hydrogen 2.949 N/A GLU 230.A N LEU 226.A O no hydrogen 2.909 N/A ARG 231.A N ILE 227.A O no hydrogen 3.049 N/A PHE 232.A N GLU 228.A O no hydrogen 2.968 N/A TYR 233.A N LYS 229.A O no hydrogen 3.448 N/A TYR 233.A OH ILE 186.A O no hydrogen 2.576 N/A GLU 234.A N GLU 230.A O no hydrogen 2.976 N/A SER 235.A N ARG 231.A O no hydrogen 2.888 N/A SER 235.A OG ARG 231.A O no hydrogen 3.126 N/A ARG 236.A N TYR 233.A O no hydrogen 3.010 N/A CYS 237.A N PHE 232.A O no hydrogen 3.036 N/A CYS 237.A SG PHE 232.A O no hydrogen 3.473 N/A LYS 245.A NZ ASP 249.A OD2 no hydrogen 2.825 N/A ALA 248.A N CYS 244.A O no hydrogen 2.816 N/A ASP 249.A N LYS 245.A O no hydrogen 2.910 N/A LEU 250.A N GLU 246.A O no hydrogen 3.393 N/A MET 251.A N LEU 247.A O no hydrogen 2.904 N/A THR 252.A N ALA 248.A O no hydrogen 2.826 N/A THR 252.A OG1 ALA 248.A O no hydrogen 3.103 N/A ARG 253.A N ASP 249.A O no hydrogen 3.179 N/A ARG 253.A NH1 ASP 271.A OD2 no hydrogen 2.714 N/A ARG 253.A NH2 ASP 271.A OD2 no hydrogen 2.891 N/A CYS 254.A N LEU 250.A O no hydrogen 2.969 N/A CYS 254.A SG LEU 250.A O no hydrogen 3.327 N/A MET 255.A N MET 251.A O no hydrogen 2.887 N/A ASN 256.A ND2 GLN 261.A OE1 no hydrogen 3.434 N/A TYR 257.A OH CYS 237.A O no hydrogen 2.735 N/A ASP 258.A N ASN 256.A OD1 no hydrogen 2.905 N/A ASN 260.A N ASP 258.A OD1 no hydrogen 2.939 N/A ASN 260.A ND2 ASP 258.A OD1 no hydrogen 2.828 N/A GLN 261.A N ASP 258.A O no hydrogen 2.990 N/A GLN 261.A NE2 ASP 258.A OD2 no hydrogen 2.896 N/A ARG 262.A N PRO 259.A O no hydrogen 3.246 N/A ARG 262.A NE ASN 256.A O no hydrogen 2.864 N/A ARG 262.A NH1 GLU 189.A OE2 no hydrogen 2.851 N/A ARG 262.A NH1 ALA 200.A O no hydrogen 2.974 N/A ARG 262.A NH2 GLU 189.A OE1 no hydrogen 2.802 N/A ARG 262.A NH2 ASN 256.A O no hydrogen 2.964 N/A PHE 265.A N GLU 133.A OE2 no hydrogen 2.782 N/A ARG 266.A N GLU 133.A OE1 no hydrogen 3.343 N/A ILE 268.A N PHE 264.A O no hydrogen 2.927 N/A MET 269.A N PHE 265.A O no hydrogen 2.869 N/A ARG 270.A N ARG 266.A O no hydrogen 3.123 N/A ARG 270.A NE ASP 271.A OD1 no hydrogen 3.069 N/A ARG 270.A NH2 ASP 271.A OD1 no hydrogen 3.178 N/A ASP 271.A N ALA 267.A O no hydrogen 2.896 N/A ILE 272.A N ILE 268.A O no hydrogen 2.822 N/A ASN 273.A N MET 269.A O no hydrogen 2.956 N/A LYS 274.A N ARG 270.A O no hydrogen 2.972 N/A LEU 275.A N ASP 271.A O no hydrogen 2.961 N/A GLU 276.A N ILE 272.A O no hydrogen 3.262 N/A GLU 276.A N ASN 273.A O no hydrogen 3.141 N/A GLU 277.A N LYS 274.A O no hydrogen 3.192 N/A