Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n57_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N LYS 48.A O no hydrogen 2.589 N/A TYR 3.A OH PRO 47.A O no hydrogen 2.599 N/A THR 4.A N GLN 7.A OE1 no hydrogen 2.827 N/A GLN 7.A N THR 4.A OG1 no hydrogen 3.127 N/A VAL 8.A N THR 4.A O no hydrogen 3.143 N/A GLU 9.A N PHE 5.A O no hydrogen 2.969 N/A LYS 10.A N ASP 6.A O no hydrogen 2.843 N/A ALA 11.A N GLN 7.A O no hydrogen 2.911 N/A ILE 12.A N VAL 8.A O no hydrogen 3.210 N/A GLU 13.A N GLU 9.A O no hydrogen 2.902 N/A GLN 14.A N LYS 10.A O no hydrogen 3.084 N/A LEU 15.A N ILE 12.A O no hydrogen 3.118 N/A TYR 16.A N ILE 12.A O no hydrogen 2.802 N/A TYR 16.A OH THR 80.A O no hydrogen 3.298 N/A PHE 19.A N TYR 16.A O no hydrogen 3.248 N/A ASN 22.A N ASN 39.A OD1 no hydrogen 2.653 N/A THR 23.A N ASN 39.A OD1 no hydrogen 3.428 N/A GLN 25.A N GLU 37.A O no hydrogen 3.118 N/A SER 27.A N ALA 35.A O no hydrogen 2.658 N/A GLY 28.A N ALA 35.A O no hydrogen 3.293 N/A GLY 30.A N CYS 33.A O no hydrogen 2.832 N/A ILE 34.A N PHE 46.A O no hydrogen 2.968 N/A ALA 35.A N GLY 28.A O no hydrogen 2.654 N/A TYR 36.A N PHE 44.A O no hydrogen 2.667 N/A GLU 37.A N GLN 25.A O no hydrogen 2.789 N/A ILE 38.A N PHE 42.A O no hydrogen 2.849 N/A ASN 39.A N THR 23.A O no hydrogen 3.032 N/A ASN 39.A ND2 THR 20.A O no hydrogen 3.224 N/A ARG 40.A NE THR 23.A OG1 no hydrogen 3.205 N/A PHE 42.A N ILE 38.A O no hydrogen 3.198 N/A ILE 43.A N PHE 94.A O no hydrogen 2.898 N/A PHE 44.A N TYR 36.A O no hydrogen 2.746 N/A LYS 45.A N ALA 92.A O no hydrogen 2.879 N/A LYS 45.A NZ GLU 59.A OE2 no hydrogen 2.804 N/A PHE 46.A N ILE 34.A O no hydrogen 2.961 N/A LYS 48.A N ASP 32.A O no hydrogen 2.971 N/A LYS 48.A NZ GLY 30.A O no hydrogen 2.400 N/A HIS 49.A NE2 ASN 31.A O no hydrogen 3.200 N/A SER 50.A OG.A THR 86.A O no hydrogen 2.598 N/A SER 50.A OG.A THR 86.A OG1 no hydrogen 2.642 N/A GLY 52.A N HIS 49.A ND1 no hydrogen 2.957 N/A GLY 52.A N HIS 49.A O no hydrogen 3.271 N/A SER 53.A N HIS 49.A O no hydrogen 3.129 N/A SER 53.A OG MET 89.A O no hydrogen 2.705 N/A THR 54.A N SER 50.A O no hydrogen 2.981 N/A THR 54.A OG1 SER 50.A O no hydrogen 3.083 N/A ASN 55.A N ARG 51.A O no hydrogen 3.048 N/A ASN 55.A ND2 ASP 32.A OD2 no hydrogen 2.900 N/A LEU 56.A N GLY 52.A O no hydrogen 2.901 N/A PHE 57.A N SER 53.A O no hydrogen 2.937 N/A ASN 58.A N THR 54.A O no hydrogen 3.200 N/A GLU 59.A N ASN 55.A O no hydrogen 2.701 N/A VAL 60.A N LEU 56.A O no hydrogen 2.986 N/A ASN 61.A N PHE 57.A O no hydrogen 3.115 N/A ILE 62.A N ASN 58.A O no hydrogen 2.873 N/A LEU 63.A N GLU 59.A O no hydrogen 2.803 N/A LYS 64.A N VAL 60.A O no hydrogen 3.002 N/A ARG 65.A N ASN 61.A O no hydrogen 3.130 N/A ARG 65.A NH2 ASN 61.A OD1 no hydrogen 2.874 N/A ILE 66.A N ILE 62.A O no hydrogen 2.948 N/A ASN 68.A ND2 ASN 68.A O no hydrogen 3.583 N/A LYS 69.A N ILE 66.A O no hydrogen 3.127 N/A LYS 69.A NZ ARG 65.A O no hydrogen 3.489 N/A GLU 76.A N THR 95.A OG1 no hydrogen 2.719 N/A VAL 78.A N GLY 93.A O no hydrogen 2.917 N/A PHE 79.A N GLY 93.A O no hydrogen 3.048 N/A THR 80.A N TYR 16.A OH no hydrogen 2.883 N/A GLY 81.A N PHE 91.A O no hydrogen 2.761 N/A MET 82.A N SER 90.A OG no hydrogen 2.875 N/A SER 84.A N TYR 87.A O no hydrogen 2.813 N/A THR 86.A N SER 84.A O no hydrogen 2.520 N/A THR 86.A OG1 SER 50.A OG.A no hydrogen 2.642 N/A TYR 87.A N SER 84.A O no hydrogen 2.901 N/A MET 89.A N SER 53.A OG no hydrogen 3.035 N/A SER 90.A N MET 82.A O no hydrogen 2.884 N/A SER 90.A OG MET 82.A O no hydrogen 3.371 N/A ALA 92.A N LYS 45.A O no hydrogen 3.276 N/A GLY 93.A N PHE 79.A O no hydrogen 2.957 N/A PHE 94.A N ILE 43.A O no hydrogen 2.861 N/A THR 95.A N GLU 76.A O no hydrogen 2.887 N/A THR 95.A OG1 GLU 76.A O no hydrogen 3.544 N/A LYS 96.A N ASP 41.A O no hydrogen 3.022 N/A LYS 96.A NZ GLU 37.A OE1 no hydrogen 3.314 N/A LYS 96.A NZ GLU 37.A OE2 no hydrogen 3.383 N/A LYS 96.A NZ ARG 40.A O no hydrogen 3.247 N/A LYS 98.A NZ.A ASP 205.A OD2 no hydrogen 3.437 N/A VAL 100.A N PHE 204.A O no hydrogen 3.079 N/A LEU 102.A N ILE 202.A O no hydrogen 2.703 N/A LEU 106.A N THR 103.A OG1 no hydrogen 2.952 N/A LEU 107.A N THR 103.A O no hydrogen 2.847 N/A ASN 108.A N PRO 104.A O no hydrogen 3.031 N/A ASN 109.A N LEU 105.A O no hydrogen 3.256 N/A ASN 109.A N LEU 106.A O no hydrogen 3.179 N/A LEU 110.A N LEU 107.A O no hydrogen 3.275 N/A GLN 115.A N PRO 111.A O no hydrogen 3.085 N/A GLN 115.A NE2 LEU 110.A O no hydrogen 2.925 N/A ASN 116.A N LYS 112.A O no hydrogen 2.927 N/A GLN 117.A N GLN 113.A O no hydrogen 2.842 N/A ALA 118.A N SER 114.A O no hydrogen 2.896 N/A ALA 119.A N GLN 115.A O no hydrogen 3.138 N/A LYS 120.A N ASN 116.A O no hydrogen 3.057 N/A ASP 121.A N GLN 117.A O no hydrogen 2.756 N/A LEU 122.A N ALA 118.A O no hydrogen 2.974 N/A ALA 123.A N ALA 119.A O no hydrogen 2.972 N/A ARG 124.A N LYS 120.A O no hydrogen 2.961 N/A PHE 125.A N ASP 121.A O no hydrogen 3.035 N/A LEU 126.A N LEU 122.A O no hydrogen 2.943 N/A SER 127.A N ALA 123.A O no hydrogen 2.805 N/A GLU 128.A N ARG 124.A O no hydrogen 3.062 N/A LEU 129.A N PHE 125.A O no hydrogen 2.989 N/A HIS 130.A N LEU 126.A O no hydrogen 2.892 N/A HIS 130.A ND1 TYR 251.A OH no hydrogen 2.612 N/A HIS 130.A NE2 ASP 228.A OD2 no hydrogen 2.711 N/A SER 131.A N GLU 128.A O no hydrogen 3.041 N/A SER 131.A OG SER 127.A O no hydrogen 2.666 N/A ILE 132.A N LEU 129.A O no hydrogen 3.195 N/A SER 135.A N ASN 133.A OD1 no hydrogen 2.874 N/A SER 135.A OG ASN 133.A OD1 no hydrogen 2.646 N/A PHE 137.A N ILE 134.A O no hydrogen 3.260 N/A LEU 141.A N LYS 138.A O no hydrogen 3.101 N/A VAL 142.A N SER 139.A O no hydrogen 3.136 N/A LEU 143.A N ILE 222.A O no hydrogen 2.782 N/A LYS 148.A N ASP 144.A O no hydrogen 3.127 N/A LYS 148.A NZ ASP 152.A OD2 no hydrogen 2.903 N/A LYS 148.A NZ GLU 273.A OE1 no hydrogen 2.964 N/A LYS 148.A NZ GLU 273.A OE2 no hydrogen 3.270 N/A ILE 149.A N PHE 145.A O no hydrogen 2.873 N/A ASN 150.A N ARG 146.A O no hydrogen 3.064 N/A ASN 150.A ND2 ARG 146.A O no hydrogen 3.234 N/A GLU 151.A N GLU 147.A O no hydrogen 2.969 N/A ASP 152.A N LYS 148.A O no hydrogen 2.863 N/A ASN 153.A N ILE 149.A O no hydrogen 2.795 N/A LYS 154.A N ASN 150.A O no hydrogen 3.234 N/A LYS 155.A N GLU 151.A O no hydrogen 3.072 N/A LYS 155.A NZ ASP 152.A OD1 no hydrogen 3.461 N/A ILE 156.A N ASP 152.A O no hydrogen 2.765 N/A LYS 157.A N ASN 153.A O no hydrogen 2.917 N/A LYS 158.A N LYS 154.A O no hydrogen 3.254 N/A LEU 159.A N LYS 155.A O no hydrogen 2.959 N/A LEU 160.A N ILE 156.A O no hydrogen 2.906 N/A SER 161.A N LYS 158.A O no hydrogen 3.499 N/A SER 161.A OG LYS 158.A O no hydrogen 3.199 N/A GLU 163.A N LEU 160.A O no hydrogen 2.788 N/A LEU 164.A N LEU 160.A O no hydrogen 3.163 N/A LYS 165.A N GLN 168.A OE1 no hydrogen 3.010 N/A GLN 168.A N LYS 165.A O no hydrogen 2.899 N/A MET 169.A N LYS 165.A O no hydrogen 3.006 N/A LYS 170.A N GLY 166.A O no hydrogen 2.884 N/A LYS 170.A NZ ASP 174.A OD1 no hydrogen 3.046 N/A LYS 171.A N PRO 167.A O no hydrogen 2.999 N/A VAL 172.A N GLN 168.A O no hydrogen 2.930 N/A ASP 173.A N MET 169.A O no hydrogen 2.860 N/A ASP 174.A N LYS 170.A O no hydrogen 2.852 N/A PHE 175.A N LYS 171.A O no hydrogen 2.964 N/A TYR 176.A N VAL 172.A O no hydrogen 3.156 N/A ARG 177.A N ASP 173.A O no hydrogen 3.099 N/A ARG 177.A NH1 ASP 178.A OD1 no hydrogen 2.342 N/A ASP 178.A N ASP 174.A O no hydrogen 2.919 N/A ILE 179.A N PHE 175.A O no hydrogen 3.250 N/A LEU 180.A N TYR 176.A O no hydrogen 2.971 N/A GLU 181.A N ARG 177.A O no hydrogen 2.812 N/A ASN 182.A N ILE 179.A O no hydrogen 3.193 N/A ASN 182.A ND2 GLU 261.A OE2 no hydrogen 3.535 N/A ILE 184.A N ASN 182.A OD1 no hydrogen 3.156 N/A PHE 186.A N GLU 183.A O no hydrogen 3.135 N/A LYS 187.A N GLU 183.A O no hydrogen 2.864 N/A CYS 191.A N SER 223.A O no hydrogen 3.082 N/A CYS 191.A SG LEU 192.A O no hydrogen 3.803 N/A ILE 193.A N ALA 221.A O no hydrogen 2.717 N/A HIS 194.A N ASP 228.A OD2 no hydrogen 3.108 N/A HIS 194.A NE2 ILE 215.A O no hydrogen 2.948 N/A ASN 195.A N ASP 228.A OD1 no hydrogen 3.019 N/A ASN 195.A ND2 ASP 219.A O no hydrogen 3.106 N/A ASP 196.A N HIS 194.A ND1 no hydrogen 3.085 N/A SER 199.A N GLU 238.A OE1 no hydrogen 3.015 N/A SER 199.A OG GLU 238.A OE1 no hydrogen 2.555 N/A HIS 201.A N SER 198.A O no hydrogen 2.867 N/A HIS 201.A ND1 ASP 196.A O no hydrogen 2.795 N/A ILE 202.A N SER 199.A O no hydrogen 3.264 N/A LEU 203.A N GLY 213.A O no hydrogen 3.022 N/A PHE 204.A N VAL 100.A O no hydrogen 2.562 N/A ASP 205.A N THR 210.A O no hydrogen 2.930 N/A GLU 207.A N ASP 205.A OD1 no hydrogen 3.070 N/A LYS 208.A N ASP 205.A OD1 no hydrogen 3.477 N/A LYS 208.A NZ ASP 205.A OD2 no hydrogen 3.455 N/A CYS 212.A N LEU 203.A O no hydrogen 3.002 N/A CYS 212.A SG LYS 98.A O no hydrogen 3.190 N/A ILE 214.A N PRO 73.A O no hydrogen 2.983 N/A ILE 215.A N HIS 201.A O no hydrogen 3.060 N/A PHE 217.A N GLU 59.A OE1 no hydrogen 3.112 N/A GLY 218.A N ASP 216.A OD1 no hydrogen 3.026 N/A ALA 220.A N PHE 217.A O no hydrogen 2.949 N/A ALA 221.A N ILE 193.A O no hydrogen 3.049 N/A ILE 222.A N LEU 141.A O no hydrogen 2.743 N/A SER 223.A N CYS 191.A O no hydrogen 2.975 N/A ASP 224.A N SER 223.A OG no hydrogen 2.654 N/A ASP 226.A N ASP 224.A OD1 no hydrogen 2.982 N/A ASN 227.A N ASP 224.A O no hydrogen 2.881 N/A ASP 228.A N PRO 225.A O no hydrogen 3.137 N/A PHE 229.A N ASP 226.A O no hydrogen 3.055 N/A ILE 230.A N ASP 226.A O no hydrogen 3.131 N/A SER 231.A N ASN 227.A O no hydrogen 3.315 N/A SER 231.A OG PHE 197.A O no hydrogen 2.649 N/A SER 231.A OG ASN 227.A O no hydrogen 3.325 N/A SER 231.A OG ASP 228.A O no hydrogen 3.538 N/A LEU 232.A N PHE 229.A O no hydrogen 2.953 N/A MET 233.A N ILE 230.A O no hydrogen 2.985 N/A GLU 238.A N GLU 234.A O no hydrogen 3.263 N/A TYR 239.A OH LEU 102.A O no hydrogen 2.540 N/A VAL 244.A N GLY 240.A O no hydrogen 3.274 N/A SER 245.A N MET 241.A O no hydrogen 2.917 N/A SER 245.A OG MET 241.A O no hydrogen 3.024 N/A LYS 246.A N GLU 242.A O no hydrogen 3.248 N/A ILE 247.A N PHE 243.A O no hydrogen 3.140 N/A LEU 248.A N VAL 244.A O no hydrogen 2.757 N/A ASN 249.A N SER 245.A O no hydrogen 3.093 N/A HIS 250.A N LYS 246.A O no hydrogen 3.118 N/A TYR 251.A N ILE 247.A O no hydrogen 2.859 N/A TYR 251.A OH HIS 130.A ND1 no hydrogen 2.612 N/A LYS 252.A N ASN 249.A O no hydrogen 2.983 N/A HIS 253.A N LEU 248.A O no hydrogen 2.861 N/A HIS 253.A NE2 ASP 226.A OD1 no hydrogen 2.793 N/A ASP 255.A N HIS 253.A ND1 no hydrogen 3.153 N/A THR 258.A N ASP 255.A O no hydrogen 3.172 N/A THR 258.A N ASP 255.A OD1 no hydrogen 3.266 N/A THR 258.A OG1 ASP 255.A OD2 no hydrogen 2.485 N/A VAL 259.A N ASP 255.A O no hydrogen 3.509 N/A LEU 260.A N ILE 256.A O no hydrogen 2.996 N/A GLU 261.A N PRO 257.A O no hydrogen 2.912 N/A LYS 262.A N THR 258.A O no hydrogen 2.851 N/A LYS 262.A NZ ASP 224.A OD2 no hydrogen 3.008 N/A LYS 262.A NZ ASP 226.A OD2 no hydrogen 2.562 N/A TYR 263.A N VAL 259.A O no hydrogen 2.938 N/A ARG 264.A N LEU 260.A O no hydrogen 3.005 N/A MET 265.A N GLU 261.A O no hydrogen 3.120 N/A LYS 266.A N LYS 262.A O no hydrogen 2.981 N/A LYS 266.A NZ GLU 273.A OE1 no hydrogen 3.525 N/A GLU 267.A N TYR 263.A O no hydrogen 2.851 N/A LYS 268.A N ARG 264.A O no hydrogen 3.371 N/A TYR 269.A N MET 265.A O no hydrogen 2.979 N/A TYR 269.A OH ASP 152.A OD2 no hydrogen 2.337 N/A TRP 270.A N LYS 266.A O no hydrogen 3.000 N/A SER 271.A N LYS 268.A O no hydrogen 3.337 N/A SER 271.A OG LYS 268.A O no hydrogen 3.557 N/A SER 271.A OG GLU 293.A OE1 no hydrogen 2.659 N/A PHE 272.A N TYR 269.A O no hydrogen 3.047 N/A GLU 273.A N TYR 269.A O no hydrogen 3.207 N/A LYS 274.A N TRP 270.A O no hydrogen 2.889 N/A LYS 274.A NZ GLU 289.A OE1 no hydrogen 2.773 N/A LYS 274.A NZ GLU 293.A OE2 no hydrogen 3.005 N/A ILE 275.A N SER 271.A O no hydrogen 3.185 N/A ILE 276.A N PHE 272.A O no hydrogen 2.996 N/A TYR 277.A N GLU 273.A O no hydrogen 2.915 N/A GLY 278.A N LYS 274.A O no hydrogen 2.776 N/A LYS 279.A N ILE 275.A O no hydrogen 3.004 N/A GLU 280.A N ILE 276.A O no hydrogen 2.621 N/A TYR 281.A N TYR 277.A O no hydrogen 3.162 N/A TRP 286.A N TYR 283.A O no hydrogen 3.149 N/A TYR 287.A N TYR 283.A O no hydrogen 3.305 N/A GLU 288.A N MET 284.A O no hydrogen 3.089 N/A GLU 289.A N ASP 285.A O no hydrogen 3.302 N/A GLY 290.A N TRP 286.A O no hydrogen 3.243 N/A LEU 291.A N TYR 287.A O no hydrogen 3.156 N/A ASN 292.A N GLU 288.A O no hydrogen 3.027 N/A GLU 293.A N GLU 289.A O no hydrogen 2.892 N/A ILE 294.A N GLY 290.A O no hydrogen 2.903 N/A ARG 295.A N LEU 291.A O no hydrogen 3.021 N/A ARG 295.A NH2 GLU 163.A O no hydrogen 2.788 N/A ARG 295.A NH2 GLU 163.A OE1 no hydrogen 3.309 N/A