Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rkp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 GLY 48.A O no hydrogen 3.408 N/A GLY 3.A N LEU 49.A O no hydrogen 2.839 N/A VAL 5.A N VAL 46.A O no hydrogen 2.975 N/A ASP 6.A N VAL 94.A O no hydrogen 2.698 N/A LEU 7.A N ILE 44.A O no hydrogen 3.023 N/A ILE 8.A N MET 96.A O no hydrogen 2.712 N/A LYS 9.A N GLY 42.A O no hydrogen 2.755 N/A THR 10.A N VAL 98.A O no hydrogen 2.962 N/A GLY 11.A N LYS 15.A O no hydrogen 2.639 N/A VAL 12.A N TYR 65.A OH no hydrogen 2.956 N/A MET 17.A N LYS 9.A O no hydrogen 2.915 N/A GLY 19.A N THR 38.A O no hydrogen 3.124 N/A VAL 21.A N LYS 60.A O no hydrogen 2.937 N/A PHE 22.A N LEU 36.A O no hydrogen 3.010 N/A SER 23.A N GLN 57.A O no hydrogen 2.805 N/A LEU 24.A N LYS 33.A O no hydrogen 2.809 N/A PHE 25.A N TYR 55.A O no hydrogen 3.125 N/A LYS 26.A N THR 30.A O no hydrogen 2.954 N/A LYS 26.A NZ GLU 50.A OE1 no hydrogen 3.561 N/A LYS 27.A N GLU 53.A O no hydrogen 2.993 N/A LYS 27.A NZ GLU 53.A OE1 no hydrogen 3.569 N/A GLY 29.A N LYS 26.A O no hydrogen 2.983 N/A THR 30.A OG1 ASP 28.A OD1 no hydrogen 2.994 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 3.456 N/A VAL 32.A N LEU 24.A O no hydrogen 2.643 N/A LYS 33.A N LEU 24.A O no hydrogen 3.336 N/A LEU 36.A N PHE 22.A O no hydrogen 2.970 N/A THR 38.A N ALA 20.A O no hydrogen 2.932 N/A THR 38.A OG1 MET 17.A O no hydrogen 2.734 N/A THR 38.A OG1 ALA 20.A O no hydrogen 3.465 N/A ASP 39.A N HIS 43.A O no hydrogen 3.038 N/A ASN 41.A N ASP 39.A OD1 no hydrogen 2.808 N/A GLY 42.A N ASP 39.A O no hydrogen 2.977 N/A HIS 43.A N ASP 39.A OD1 no hydrogen 2.998 N/A ILE 44.A N LEU 7.A O no hydrogen 2.916 N/A ARG 45.A NE GLU 84.A O no hydrogen 3.203 N/A VAL 46.A N VAL 5.A O no hydrogen 3.135 N/A LEU 49.A N GLY 3.A O no hydrogen 3.072 N/A GLY 52.A N VAL 76.A O no hydrogen 2.886 N/A TYR 54.A N PHE 74.A O no hydrogen 2.994 N/A TYR 54.A OH GLU 50.A O no hydrogen 2.697 N/A TYR 55.A N PHE 25.A O no hydrogen 2.934 N/A PHE 56.A N ARG 72.A O no hydrogen 2.900 N/A GLN 57.A N SER 23.A O no hydrogen 2.947 N/A GLN 57.A NE2 PRO 69.A O no hydrogen 2.853 N/A THR 59.A N VAL 21.A O no hydrogen 2.937 N/A THR 59.A OG1 VAL 21.A O no hydrogen 3.415 N/A LYS 60.A N VAL 21.A O no hydrogen 3.436 N/A TYR 65.A N PRO 62.A O no hydrogen 2.967 N/A VAL 66.A N ASN 101.A O no hydrogen 2.964 N/A ASP 68.A N GLU 58.A OE1 no hydrogen 3.300 N/A THR 70.A N ASP 68.A OD1 no hydrogen 2.878 N/A THR 70.A OG1 ASP 68.A OD1 no hydrogen 2.663 N/A ARG 72.A N PHE 56.A O no hydrogen 2.991 N/A PHE 74.A N TYR 54.A O no hydrogen 3.405 N/A VAL 76.A N GLY 52.A O no hydrogen 2.941 N/A GLY 80.A N ARG 2.A O no hydrogen 3.090 N/A THR 81.A N SER 90.A O no hydrogen 3.050 N/A THR 81.A OG1 SER 90.A OG no hydrogen 2.594 N/A ASN 83.A N ILE 88.A O no hydrogen 3.309 N/A ASN 83.A ND2 THR 87.A OG1 no hydrogen 3.062 N/A THR 87.A OG1 ASP 85.A OD2 no hydrogen 2.589 N/A ILE 88.A N ASN 83.A OD1 no hydrogen 2.756 N/A SER 90.A N THR 81.A O no hydrogen 3.167 N/A SER 90.A OG THR 81.A OG1 no hydrogen 2.594 N/A THR 92.A N SER 79.A O no hydrogen 2.680 N/A VAL 94.A N ALA 4.A O no hydrogen 3.156 N/A MET 96.A N ASP 6.A O no hydrogen 2.913 N/A VAL 98.A N ILE 8.A O no hydrogen 2.926 N/A LYS 99.A NZ GLU 135.A OE2 no hydrogen 2.996 N/A ASN 100.A N THR 10.A O no hydrogen 2.998 N/A ASN 101.A ND2 GLU 135.A OE1 no hydrogen 3.560 N/A GLU 103.A N GLY 64.A O no hydrogen 3.046 N/A ASP 107.A N LYS 130.A O no hydrogen 2.845 N/A LYS 109.A N ASP 128.A O no hydrogen 3.063 N/A LYS 109.A NZ ASP 107.A OD1 no hydrogen 2.968 N/A ILE 110.A N LEU 114.A O no hydrogen 2.720 N/A ASN 111.A N ASN 126.A O no hydrogen 2.807 N/A LEU 114.A N ILE 110.A O no hydrogen 2.978 N/A LEU 117.A N VAL 240.A O no hydrogen 2.947 N/A ILE 119.A N ILE 242.A O no hydrogen 2.641 N/A ASN 120.A ND2 THR 244.A O no hydrogen 2.762 N/A LEU 122.A N VAL 206.A O no hydrogen 2.781 N/A THR 123.A OG1 ASN 120.A O no hydrogen 3.285 N/A THR 123.A OG1 PRO 121.A O no hydrogen 3.014 N/A ASN 124.A ND2 SER 204.A O no hydrogen 3.518 N/A TYR 125.A N SER 204.A O no hydrogen 3.082 N/A TYR 125.A OH TYR 127.A OH no hydrogen 2.774 N/A ASN 126.A N ASN 111.A OD1 no hydrogen 2.791 N/A TYR 127.A N ILE 202.A O no hydrogen 2.832 N/A TYR 127.A OH TYR 125.A OH no hydrogen 2.774 N/A ASP 128.A N LYS 109.A O no hydrogen 2.854 N/A ILE 129.A N LEU 200.A O no hydrogen 2.816 N/A LYS 130.A N ASP 107.A O no hydrogen 2.964 N/A THR 131.A N PHE 198.A O no hydrogen 2.883 N/A THR 131.A OG1 TYR 143.A OH no hydrogen 3.125 N/A LEU 132.A N THR 105.A O no hydrogen 3.213 N/A ILE 133.A N LYS 196.A O no hydrogen 3.039 N/A ILE 137.A N PRO 134.A O no hydrogen 3.350 N/A GLU 139.A N ASP 136.A O no hydrogen 3.187 N/A TYR 140.A N ILE 137.A O no hydrogen 2.890 N/A LYS 141.A N THR 225.A O no hydrogen 2.804 N/A LYS 141.A NZ ASP 229.A OD1 no hydrogen 2.850 N/A LYS 142.A N THR 225.A O no hydrogen 3.093 N/A TYR 143.A OH THR 131.A OG1 no hydrogen 3.125 N/A TYR 143.A OH LEU 132.A O no hydrogen 2.706 N/A VAL 144.A N HIS 223.A O no hydrogen 2.724 N/A VAL 145.A N ALA 184.A O no hydrogen 2.923 N/A THR 146.A N LYS 221.A O no hydrogen 2.916 N/A THR 146.A OG1 VAL 182.A O no hydrogen 2.809 N/A THR 146.A OG1 THR 183.A OG1 no hydrogen 3.322 N/A ALA 147.A N VAL 182.A O no hydrogen 2.907 N/A LEU 149.A N GLN 180.A O no hydrogen 2.997 N/A ARG 152.A N ASP 150.A OD1 no hydrogen 2.815 N/A ARG 152.A NE ASP 150.A OD1 no hydrogen 2.620 N/A ARG 152.A NH2 ASP 150.A OD1 no hydrogen 3.333 N/A ARG 152.A NH2 ASP 150.A OD2 no hydrogen 2.737 N/A LEU 153.A N ASP 150.A O no hydrogen 3.000 N/A VAL 154.A N GLN 205.A O no hydrogen 2.796 N/A GLN 156.A N LYS 203.A O no hydrogen 2.794 N/A GLN 156.A NE2 VAL 154.A O no hydrogen 2.840 N/A LYS 158.A NZ PRO 159.A O no hydrogen 3.425 N/A ILE 160.A N GLN 201.A O no hydrogen 3.006 N/A LYS 162.A N HIS 199.A O no hydrogen 2.735 N/A ILE 163.A N ALA 166.A O no hydrogen 2.905 N/A ASP 164.A N GLU 197.A O no hydrogen 3.006 N/A ALA 166.A N ILE 163.A O no hydrogen 3.198 N/A VAL 168.A N VAL 161.A O no hydrogen 3.227 N/A ASN 171.A N ASN 169.A OD1 no hydrogen 2.865 N/A VAL 172.A N ASN 169.A O no hydrogen 2.995 N/A VAL 173.A N ASN 169.A O no hydrogen 3.170 N/A GLU 174.A N THR 185.A O no hydrogen 2.793 N/A ALA 176.A N THR 183.A O no hydrogen 2.820 N/A GLU 178.A N LYS 181.A O no hydrogen 2.913 N/A GLN 180.A NE2 LEU 149.A O no hydrogen 3.379 N/A GLN 180.A NE2 ASP 150.A O no hydrogen 2.861 N/A GLN 180.A NE2 LEU 153.A O no hydrogen 3.008 N/A LYS 181.A N GLU 178.A O no hydrogen 3.146 N/A VAL 182.A N ALA 147.A O no hydrogen 2.873 N/A THR 183.A N ALA 176.A O no hydrogen 2.883 N/A THR 183.A OG1 THR 146.A OG1 no hydrogen 3.322 N/A ALA 184.A N VAL 145.A O no hydrogen 2.771 N/A THR 185.A N GLU 174.A O no hydrogen 2.943 N/A VAL 186.A N TYR 143.A O no hydrogen 3.077 N/A LYS 187.A N VAL 172.A O no hydrogen 2.645 N/A ASP 188.A N VAL 172.A O no hydrogen 3.151 N/A THR 190.A OG1 ASP 188.A OD1 no hydrogen 2.788 N/A THR 190.A OG1 ASP 188.A OD2 no hydrogen 3.064 N/A LYS 191.A N ASP 188.A O no hydrogen 3.196 N/A MET 192.A N PHE 189.A O no hydrogen 3.066 N/A ASP 193.A N THR 190.A O no hydrogen 3.249 N/A LYS 195.A N MET 192.A O no hydrogen 2.905 N/A LYS 196.A N ASP 164.A OD1 no hydrogen 3.258 N/A LYS 196.A N ASP 164.A OD2 no hydrogen 3.042 N/A GLU 197.A N ASP 164.A OD1 no hydrogen 2.921 N/A PHE 198.A N THR 131.A O no hydrogen 2.936 N/A HIS 199.A N LYS 162.A O no hydrogen 2.748 N/A LEU 200.A N ILE 129.A O no hydrogen 2.729 N/A GLN 201.A N ILE 160.A O no hydrogen 2.807 N/A GLN 201.A NE2 ASP 128.A OD1 no hydrogen 2.988 N/A ILE 202.A N TYR 127.A O no hydrogen 2.895 N/A LYS 203.A NZ ASN 126.A OD1 no hydrogen 3.056 N/A SER 204.A N TYR 125.A O no hydrogen 2.842 N/A SER 204.A OG TYR 125.A OH no hydrogen 2.952 N/A GLN 205.A N VAL 154.A O no hydrogen 3.084 N/A LYS 207.A N ARG 152.A O no hydrogen 3.159 N/A LYS 207.A NZ ASN 151.A O no hydrogen 3.235 N/A SER 212.A OG THR 245.A O no hydrogen 3.061 N/A GLY 213.A N PRO 243.A O no hydrogen 3.102 N/A SER 214.A N PRO 211.A O no hydrogen 3.263 N/A SER 214.A OG PRO 211.A O no hydrogen 2.848 N/A ILE 216.A N VAL 241.A O no hydrogen 2.964 N/A ASN 218.A N VAL 239.A O no hydrogen 3.015 N/A ASN 218.A ND2 THR 148.A O no hydrogen 3.666 N/A THR 219.A OG1 GLU 235.A OE2 no hydrogen 2.870 N/A ALA 220.A N SER 236.A OG no hydrogen 3.175 N/A LYS 221.A N THR 146.A O no hydrogen 2.918 N/A LYS 221.A NZ GLU 233.A OE2 no hydrogen 2.763 N/A ILE 222.A N LYS 234.A O no hydrogen 2.979 N/A HIS 223.A N VAL 144.A O no hydrogen 2.748 N/A PHE 224.A N GLY 232.A O no hydrogen 3.190 N/A THR 225.A N LYS 142.A O no hydrogen 2.888 N/A ASN 226.A N VAL 230.A O no hydrogen 3.265 N/A LYS 227.A NZ GLU 139.A OE1 no hydrogen 2.979 N/A ASP 229.A N ASN 226.A O no hydrogen 3.133 N/A VAL 230.A N ASN 226.A OD1 no hydrogen 2.836 N/A GLY 232.A N PHE 224.A O no hydrogen 2.836 N/A LYS 234.A N ILE 222.A O no hydrogen 3.063 N/A SER 236.A N ALA 220.A O no hydrogen 3.038 N/A SER 236.A OG LYS 237.A O no hydrogen 2.877 N/A LYS 237.A NZ GLU 115.A OE2 no hydrogen 3.235 N/A VAL 239.A N ASN 218.A O no hydrogen 3.007 N/A VAL 240.A N GLU 115.A O no hydrogen 2.841 N/A VAL 241.A N ILE 216.A O no hydrogen 3.313 N/A ILE 242.A N LEU 117.A O no hydrogen 2.853 N/A THR 244.A N ILE 119.A O no hydrogen 2.923 N/A THR 245.A N SER 212.A OG no hydrogen 3.288 N/A GLY 246.A N ILE 298.A O no hydrogen 2.628 N/A ILE 247.A N GLN 339.A O no hydrogen 2.807 N/A ILE 248.A N TRP 295.A O no hydrogen 2.953 N/A GLU 249.A N VAL 341.A O no hydrogen 2.839 N/A LEU 250.A N ILE 293.A O no hydrogen 2.771 N/A THR 251.A N LEU 343.A O no hydrogen 2.767 N/A LYS 252.A N GLY 291.A O no hydrogen 2.683 N/A ILE 253.A N ILE 345.A O no hydrogen 3.047 N/A ASP 254.A N ASN 259.A O no hydrogen 3.050 N/A SER 255.A N ASN 347.A O no hydrogen 2.800 N/A SER 255.A OG ASN 347.A O no hydrogen 3.164 N/A SER 255.A OG ASN 348.A OD1 no hydrogen 3.271 N/A ALA 256.A N ASP 254.A OD1 no hydrogen 2.803 N/A ASN 257.A N ASP 254.A OD1 no hydrogen 2.945 N/A LYS 258.A N ASP 254.A O no hydrogen 2.973 N/A LYS 258.A NZ SER 255.A O no hydrogen 2.702 N/A LYS 258.A NZ GLU 346.A OE2 no hydrogen 3.048 N/A ASN 259.A N ASN 257.A OD1 no hydrogen 2.957 N/A MET 261.A N LYS 252.A O no hydrogen 2.972 N/A GLY 263.A N SER 287.A O no hydrogen 3.019 N/A GLU 265.A N LYS 309.A O no hydrogen 2.997 N/A PHE 266.A N GLY 285.A O no hydrogen 2.988 N/A VAL 267.A N PHE 306.A O no hydrogen 2.887 N/A LEU 268.A N VAL 283.A O no hydrogen 2.945 N/A LYS 269.A N GLN 304.A O no hydrogen 2.909 N/A ASP 270.A N LYS 274.A O no hydrogen 2.906 N/A GLY 273.A N ASP 270.A O no hydrogen 2.719 N/A LYS 274.A N ASP 270.A OD1 no hydrogen 3.120 N/A VAL 276.A N LEU 268.A O no hydrogen 2.915 N/A VAL 278.A N LYS 281.A O no hydrogen 2.999 N/A ALA 279.A N GLU 208.A OE1 no hydrogen 2.802 N/A LYS 281.A N VAL 278.A O no hydrogen 3.439 N/A VAL 283.A N VAL 276.A O no hydrogen 2.823 N/A THR 284.A N GLU 282.A O no hydrogen 3.144 N/A GLY 285.A N PHE 266.A O no hydrogen 3.063 N/A SER 287.A N ALA 264.A O no hydrogen 2.731 N/A SER 287.A OG MET 261.A O no hydrogen 2.490 N/A ASP 288.A N VAL 292.A O no hydrogen 3.279 N/A ASN 290.A N ASP 288.A OD1 no hydrogen 2.988 N/A GLY 291.A N ASP 288.A O no hydrogen 2.700 N/A VAL 292.A N ASP 288.A OD1 no hydrogen 2.807 N/A ILE 293.A N LEU 250.A O no hydrogen 2.815 N/A TRP 295.A N ILE 248.A O no hydrogen 2.827 N/A TRP 295.A NE1 THR 284.A O no hydrogen 3.228 N/A ILE 298.A N GLY 246.A O no hydrogen 3.227 N/A GLY 301.A N ILE 334.A O no hydrogen 2.885 N/A TYR 303.A N VAL 332.A O no hydrogen 2.845 N/A TYR 303.A OH PRO 299.A O no hydrogen 2.537 N/A GLN 304.A N LYS 269.A O no hydrogen 2.838 N/A ILE 305.A N ILE 330.A O no hydrogen 2.899 N/A PHE 306.A N VAL 267.A O no hydrogen 3.049 N/A THR 308.A N GLU 265.A O no hydrogen 2.808 N/A THR 308.A OG1 GLU 265.A O no hydrogen 3.234 N/A LYS 309.A N GLU 265.A O no hydrogen 3.305 N/A TYR 313.A N THR 321.A O no hydrogen 2.978 N/A LYS 315.A N THR 319.A O no hydrogen 3.383 N/A GLY 318.A N LYS 315.A O no hydrogen 2.859 N/A THR 321.A N TYR 313.A O no hydrogen 2.924 N/A THR 321.A OG1 THR 319.A O no hydrogen 3.033 N/A TYR 323.A N PRO 311.A O no hydrogen 3.186 N/A TYR 323.A OH ASP 254.A OD2 no hydrogen 2.746 N/A LEU 326.A N GLU 307.A OE1 no hydrogen 2.992 N/A ILE 330.A N ILE 305.A O no hydrogen 2.980 N/A VAL 332.A N TYR 303.A O no hydrogen 3.001 N/A ILE 334.A N GLY 301.A O no hydrogen 2.949 N/A SER 335.A N ASN 338.A O no hydrogen 3.000 N/A VAL 341.A N ILE 247.A O no hydrogen 2.782 N/A LEU 343.A N GLU 249.A O no hydrogen 2.809 N/A ILE 345.A N THR 251.A O no hydrogen 2.854 N/A ASN 347.A N ILE 253.A O no hydrogen 2.810 N/A SER 350.A OG GLN 324.A OE1 no hydrogen 2.663 N/A