Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kpi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 145.A OD1 no hydrogen 2.728 N/A VAL 6.A N PRO 4.A O no hydrogen 3.012 N/A VAL 9.A N PRO 5.A O no hydrogen 3.022 N/A ARG 10.A N VAL 6.A O no hydrogen 2.800 N/A ARG 10.A NE LEU 92.A O no hydrogen 2.698 N/A ARG 10.A NH2 LEU 92.A O no hydrogen 3.415 N/A SER 11.A N GLU 7.A O no hydrogen 2.909 N/A SER 11.A OG ALA 8.A O no hydrogen 2.620 N/A HIS 12.A N VAL 9.A O no hydrogen 3.273 N/A HIS 12.A NE2 TYR 30.A OH no hydrogen 2.797 N/A TYR 13.A N VAL 9.A O no hydrogen 3.255 N/A TYR 13.A OH HIS 138.A NE2 no hydrogen 2.960 N/A ASP 14.A N ARG 10.A O no hydrogen 3.229 N/A LYS 15.A N HIS 12.A O no hydrogen 3.050 N/A ASN 17.A ND2 ASN 95.A O no hydrogen 3.010 N/A PHE 19.A N SER 16.A OG no hydrogen 3.250 N/A PHE 20.A N SER 16.A O no hydrogen 3.108 N/A LYS 21.A N ASN 17.A O no hydrogen 2.902 N/A LEU 22.A N GLU 18.A O no hydrogen 3.213 N/A LEU 22.A N PHE 19.A O no hydrogen 3.016 N/A LEU 24.A N PHE 20.A O no hydrogen 2.956 N/A SER 27.A N ASP 25.A OD2 no hydrogen 2.950 N/A SER 27.A OG ASP 25.A OD1 no hydrogen 3.215 N/A SER 27.A OG ASP 25.A OD2 no hydrogen 2.763 N/A SER 27.A OG THR 29.A OG1 no hydrogen 2.628 N/A MET 28.A N ASP 25.A O no hydrogen 2.961 N/A THR 29.A N ASP 25.A OD1 no hydrogen 3.097 N/A THR 29.A OG1 SER 27.A OG no hydrogen 2.628 N/A THR 29.A OG1 SER 74.A OG no hydrogen 3.148 N/A TYR 30.A OH HIS 12.A NE2 no hydrogen 2.797 N/A TYR 30.A OH TYR 269.A OH no hydrogen 2.748 N/A CYS 32.A SG ALA 33.A O no hydrogen 3.306 N/A CYS 32.A SG ILE 232.A O no hydrogen 3.799 N/A ALA 33.A N THR 239.A OG1 no hydrogen 3.059 N/A TYR 34.A N ALA 45.A O no hydrogen 3.200 N/A PHE 35.A N ASN 235.A OD1 no hydrogen 2.946 N/A GLU 36.A N TYR 34.A O no hydrogen 3.060 N/A MET 40.A N ARG 37.A O no hydrogen 3.182 N/A THR 41.A N GLU 44.A OE1 no hydrogen 3.074 N/A GLU 44.A N THR 41.A OG1 no hydrogen 3.165 N/A ALA 45.A N THR 41.A O no hydrogen 2.849 N/A GLN 46.A N LEU 42.A O no hydrogen 2.845 N/A GLN 46.A NE2 SER 31.A O no hydrogen 3.312 N/A TYR 47.A N GLU 43.A O no hydrogen 3.238 N/A ALA 48.A N GLU 44.A O no hydrogen 2.932 N/A LYS 49.A N ALA 45.A O no hydrogen 2.747 N/A LYS 49.A NZ SER 31.A OG no hydrogen 2.680 N/A LYS 49.A NZ CYS 32.A O no hydrogen 2.884 N/A LYS 49.A NZ GLN 46.A OE1 no hydrogen 3.073 N/A ARG 50.A N GLN 46.A O no hydrogen 2.853 N/A ARG 50.A NE HIS 78.A ND1 no hydrogen 2.935 N/A ARG 50.A NH1 SER 27.A OG no hydrogen 2.867 N/A LYS 51.A N TYR 47.A O no hydrogen 2.879 N/A LEU 52.A N ALA 48.A O no hydrogen 2.942 N/A ALA 53.A N LYS 49.A O no hydrogen 3.131 N/A LEU 54.A N ARG 50.A O no hydrogen 2.933 N/A ASP 55.A N LYS 51.A O no hydrogen 2.840 N/A LYS 56.A N ALA 53.A O no hydrogen 3.175 N/A LYS 56.A NZ HIS 230.A ND1 no hydrogen 3.180 N/A LYS 56.A NZ GLN 286.A OE1 no hydrogen 2.900 N/A LEU 57.A N LEU 54.A O no hydrogen 3.028 N/A ASN 58.A ND2 ASP 55.A O no hydrogen 3.236 N/A GLY 62.A N ASP 84.A O no hydrogen 3.087 N/A MET 63.A N GLU 60.A O no hydrogen 3.332 N/A THR 64.A N ASP 128.A OD1 no hydrogen 2.742 N/A LEU 65.A N ASN 86.A O no hydrogen 2.615 N/A LEU 66.A N ARG 129.A O no hydrogen 2.999 N/A ASP 67.A N ILE 88.A O no hydrogen 2.901 N/A ILE 68.A N VAL 131.A O no hydrogen 2.915 N/A CYS 70.A N LEU 90.A O no hydrogen 2.825 N/A CYS 70.A SG LEU 90.A O no hydrogen 3.382 N/A TRP 72.A NE1 ASN 17.A OD1 no hydrogen 2.815 N/A GLY 73.A N CYS 70.A O no hydrogen 2.856 N/A SER 74.A OG THR 29.A OG1 no hydrogen 3.148 N/A ARG 77.A N GLY 73.A O no hydrogen 3.009 N/A HIS 78.A N SER 74.A O no hydrogen 2.862 N/A ALA 79.A N THR 75.A O no hydrogen 2.842 N/A VAL 80.A N MET 76.A O no hydrogen 3.142 N/A ALA 81.A N ARG 77.A O no hydrogen 3.218 N/A GLU 82.A N HIS 78.A O no hydrogen 2.935 N/A TYR 83.A N ALA 79.A O no hydrogen 2.986 N/A TYR 83.A OH ASP 55.A OD1 no hydrogen 2.630 N/A ASP 84.A N VAL 80.A O no hydrogen 2.804 N/A ASN 86.A N MET 63.A O no hydrogen 2.692 N/A ASN 86.A ND2 MET 63.A O no hydrogen 3.289 N/A VAL 87.A N ARG 112.A O no hydrogen 2.786 N/A ILE 88.A N LEU 65.A O no hydrogen 2.883 N/A GLY 89.A N GLU 114.A O no hydrogen 2.500 N/A LEU 90.A N ASP 67.A O no hydrogen 2.975 N/A THR 91.A N ARG 116.A O no hydrogen 3.130 N/A THR 91.A OG1 GLN 96.A OE1 no hydrogen 2.942 N/A SER 93.A N THR 91.A OG1 no hydrogen 3.091 N/A SER 93.A OG TYR 13.A O no hydrogen 3.537 N/A SER 93.A OG ASP 14.A OD1 no hydrogen 2.767 N/A GLU 94.A N ASP 14.A OD2 no hydrogen 3.060 N/A ASN 95.A N ASP 14.A OD1 no hydrogen 2.617 N/A GLN 96.A N SER 93.A OG no hydrogen 3.204 N/A TYR 97.A N SER 93.A O no hydrogen 3.211 N/A ALA 98.A N GLU 94.A O no hydrogen 2.915 N/A HIS 99.A N ASN 95.A O no hydrogen 2.807 N/A ASP 100.A N GLN 96.A O no hydrogen 2.782 N/A LYS 101.A N TYR 97.A O no hydrogen 2.846 N/A ALA 102.A N ALA 98.A O no hydrogen 3.277 N/A MET 103.A N HIS 99.A O no hydrogen 2.898 N/A PHE 104.A N ASP 100.A O no hydrogen 2.939 N/A GLU 106.A N ALA 102.A O no hydrogen 3.331 N/A ARG 111.A NE ASP 84.A OD1 no hydrogen 3.062 N/A ARG 111.A NE ASP 84.A OD2 no hydrogen 3.210 N/A ARG 111.A NH2 ASP 84.A OD2 no hydrogen 2.716 N/A ARG 112.A N ASN 86.A OD1 no hydrogen 3.113 N/A ARG 112.A NE GLU 114.A OE2 no hydrogen 2.972 N/A LYS 113.A NZ VAL 107.A O no hydrogen 2.727 N/A GLU 114.A N VAL 87.A O no hydrogen 2.843 N/A ARG 116.A N GLY 89.A O no hydrogen 2.742 N/A ARG 116.A NH1 GLN 118.A OE1 no hydrogen 3.093 N/A ARG 116.A NH1 GLU 125.A OE2 no hydrogen 2.537 N/A ARG 116.A NH2 GLU 114.A OE1 no hydrogen 3.162 N/A ARG 116.A NH2 GLU 125.A OE1 no hydrogen 2.877 N/A ARG 116.A NH2 GLU 125.A OE2 no hydrogen 3.201 N/A GLN 118.A NE2 GLU 122.A O no hydrogen 3.059 N/A GLY 119.A N GLU 122.A OE1 no hydrogen 3.367 N/A GLU 121.A N GLU 121.A OE2 no hydrogen 2.981 N/A GLU 122.A N GLY 119.A O no hydrogen 2.954 N/A PHE 123.A N TRP 120.A O no hydrogen 3.251 N/A VAL 127.A N LEU 161.A O no hydrogen 2.929 N/A ASP 128.A N THR 64.A O no hydrogen 3.078 N/A ARG 129.A N THR 64.A O no hydrogen 3.454 N/A ARG 129.A NE LEU 57.A O no hydrogen 2.682 N/A ARG 129.A NH1 ASP 128.A O no hydrogen 2.949 N/A ARG 129.A NH2 ASP 165.A OD1 no hydrogen 3.210 N/A ILE 130.A N ARG 167.A O no hydrogen 3.072 N/A VAL 131.A N LEU 66.A O no hydrogen 2.845 N/A SER 132.A N LEU 169.A O no hydrogen 3.104 N/A SER 132.A OG ILE 68.A O no hydrogen 3.007 N/A GLY 134.A N HIS 171.A O no hydrogen 2.951 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.450 N/A HIS 138.A N ALA 135.A O no hydrogen 2.952 N/A HIS 138.A NE2 TYR 13.A OH no hydrogen 2.960 N/A PHE 139.A N PHE 136.A O no hydrogen 2.889 N/A ASP 141.A N HIS 138.A O no hydrogen 2.897 N/A ALA 143.A N LYS 3.A O no hydrogen 2.834 N/A GLY 144.A N GLY 142.A O no hydrogen 2.666 N/A GLY 147.A N ALA 140.A O no hydrogen 2.839 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.786 N/A ARG 150.A N GLY 147.A O no hydrogen 2.957 N/A ARG 150.A NE ASP 145.A O no hydrogen 3.018 N/A ARG 150.A NE ASP 145.A OD2 no hydrogen 3.294 N/A ARG 150.A NH1 GLU 121.A OE1 no hydrogen 2.694 N/A ARG 150.A NH1 PHE 139.A O no hydrogen 3.219 N/A ARG 150.A NH2 GLU 121.A OE1 no hydrogen 2.992 N/A ARG 150.A NH2 ASP 145.A OD2 no hydrogen 2.987 N/A TYR 151.A N PHE 148.A O no hydrogen 2.732 N/A ASP 152.A N GLU 149.A O no hydrogen 3.093 N/A PHE 154.A N ARG 150.A O no hydrogen 3.130 N/A PHE 155.A N TYR 151.A O no hydrogen 3.031 N/A LYS 156.A N ASP 152.A O no hydrogen 3.325 N/A LYS 157.A N THR 153.A O no hydrogen 2.846 N/A LYS 157.A NZ PHE 123.A O no hydrogen 2.573 N/A PHE 158.A N PHE 154.A O no hydrogen 3.216 N/A TYR 159.A N LYS 156.A O no hydrogen 2.961 N/A ASN 160.A N LYS 156.A O no hydrogen 3.006 N/A LEU 161.A N LYS 157.A O no hydrogen 3.078 N/A THR 162.A OG1 PHE 158.A O no hydrogen 2.845 N/A THR 162.A OG1 TYR 159.A O no hydrogen 3.272 N/A GLY 166.A N PRO 163.A O no hydrogen 2.782 N/A ARG 167.A NH1 LYS 56.A O no hydrogen 2.683 N/A MET 168.A N LEU 289.A O no hydrogen 2.926 N/A LEU 169.A N ILE 130.A O no hydrogen 2.935 N/A LEU 170.A N PHE 287.A O no hydrogen 2.886 N/A HIS 171.A N SER 132.A O no hydrogen 2.869 N/A THR 172.A N CYS 285.A O no hydrogen 3.169 N/A THR 172.A OG1 ILE 173.A O no hydrogen 2.958 N/A ILE 173.A N GLU 137.A OE2 no hydrogen 2.979 N/A THR 174.A N ASP 283.A O no hydrogen 2.743 N/A ILE 175.A N PRO 210.A O no hydrogen 3.054 N/A ASP 177.A N GLU 180.A OE1 no hydrogen 3.330 N/A ALA 181.A N ASP 177.A O no hydrogen 2.949 N/A GLN 182.A N GLU 179.A O no hydrogen 2.740 N/A GLU 183.A N GLU 179.A O no hydrogen 3.262 N/A GLY 185.A N GLN 182.A O no hydrogen 3.174 N/A LEU 186.A N ALA 181.A O no hydrogen 3.420 N/A SER 188.A OG TYR 281.A OH no hydrogen 3.390 N/A LEU 193.A N PRO 189.A O no hydrogen 3.226 N/A ARG 194.A N MET 190.A O no hydrogen 3.052 N/A PHE 195.A N SER 191.A O no hydrogen 3.038 N/A ILE 196.A N LEU 192.A O no hydrogen 3.050 N/A LYS 197.A N LEU 193.A O no hydrogen 3.043 N/A PHE 198.A N ARG 194.A O no hydrogen 2.901 N/A ILE 199.A N PHE 195.A O no hydrogen 2.759 N/A LEU 200.A N ILE 196.A O no hydrogen 2.869 N/A THR 201.A N PHE 198.A O no hydrogen 3.382 N/A THR 201.A OG1 LYS 197.A O no hydrogen 2.937 N/A GLU 202.A N PHE 198.A O no hydrogen 2.881 N/A ILE 203.A N ILE 199.A O no hydrogen 3.025 N/A PHE 204.A N ILE 199.A O no hydrogen 2.817 N/A GLY 207.A N PHE 204.A O no hydrogen 3.183 N/A ARG 208.A N GLU 137.A O no hydrogen 2.968 N/A ARG 208.A NH1 GLY 206.A O no hydrogen 3.468 N/A ARG 211.A N GLN 214.A OE1 no hydrogen 2.934 N/A SER 213.A OG ASP 177.A OD1 no hydrogen 2.613 N/A GLN 214.A N ARG 211.A O no hydrogen 3.080 N/A VAL 215.A N ARG 211.A O no hydrogen 3.335 N/A ASP 216.A N ILE 212.A O no hydrogen 3.003 N/A TYR 217.A N SER 213.A O no hydrogen 3.029 N/A TYR 218.A N GLN 214.A O no hydrogen 3.146 N/A SER 219.A N VAL 215.A O no hydrogen 2.995 N/A SER 219.A OG VAL 215.A O no hydrogen 2.568 N/A SER 219.A OG ASP 216.A O no hydrogen 3.337 N/A SER 220.A N ASP 216.A O no hydrogen 2.856 N/A SER 220.A OG ASP 216.A O no hydrogen 2.723 N/A SER 220.A OG TYR 217.A O no hydrogen 2.878 N/A ASN 221.A N TYR 217.A O no hydrogen 2.854 N/A ALA 222.A N SER 219.A O no hydrogen 3.159 N/A GLY 223.A N SER 220.A O no hydrogen 2.588 N/A TRP 224.A N SER 219.A O no hydrogen 3.011 N/A TRP 224.A NE1 PHE 155.A O no hydrogen 2.834 N/A LYS 225.A N VAL 290.A O no hydrogen 2.879 N/A GLU 227.A N THR 288.A O no hydrogen 2.708 N/A TYR 229.A OH ASP 216.A OD1 no hydrogen 2.495 N/A TYR 229.A OH ASP 216.A OD2 no hydrogen 3.307 N/A HIS 230.A N GLN 286.A O no hydrogen 3.339 N/A ILE 232.A N VAL 284.A O no hydrogen 2.745 N/A GLY 233.A N ASP 283.A OD1 no hydrogen 2.909 N/A ASN 235.A N ILE 232.A O no hydrogen 3.035 N/A ASN 235.A ND2 ILE 232.A O no hydrogen 3.294 N/A TYR 236.A N GLY 233.A O no hydrogen 2.905 N/A VAL 237.A N ALA 234.A O no hydrogen 3.349 N/A THR 239.A N ASN 235.A O no hydrogen 3.421 N/A THR 239.A OG1 ASN 235.A O no hydrogen 2.958 N/A LEU 240.A N TYR 236.A O no hydrogen 2.862 N/A ASN 241.A N VAL 237.A O no hydrogen 2.923 N/A ALA 242.A N PRO 238.A O no hydrogen 2.727 N/A TRP 243.A N THR 239.A O no hydrogen 2.909 N/A ALA 244.A N LEU 240.A O no hydrogen 2.972 N/A ASP 245.A N ASN 241.A O no hydrogen 2.831 N/A ALA 246.A N ALA 242.A O no hydrogen 2.908 N/A LEU 247.A N TRP 243.A O no hydrogen 3.023 N/A GLN 248.A N ALA 244.A O no hydrogen 2.956 N/A ALA 249.A N ASP 245.A O no hydrogen 2.825 N/A HIS 250.A N ALA 246.A O no hydrogen 3.155 N/A LYS 251.A N GLN 248.A O no hydrogen 3.093 N/A ALA 254.A N HIS 250.A O no hydrogen 2.782 N/A ILE 255.A N LYS 251.A O no hydrogen 2.715 N/A ALA 256.A N ASP 252.A O no hydrogen 3.080 N/A LEU 257.A N GLU 253.A O no hydrogen 3.185 N/A LYS 258.A N ALA 254.A O no hydrogen 3.011 N/A LYS 258.A NZ LYS 15.A O no hydrogen 2.918 N/A GLY 259.A N ILE 255.A O no hydrogen 2.866 N/A GLN 260.A NE2 GLN 260.A O no hydrogen 3.460 N/A GLN 260.A NE2 ASP 264.A OD1 no hydrogen 3.239 N/A GLN 260.A NE2 ASP 264.A OD2 no hydrogen 3.249 N/A THR 262.A OG1 LYS 258.A O no hydrogen 3.479 N/A CYS 263.A SG GLY 259.A O no hydrogen 3.061 N/A ASP 264.A N GLN 260.A O no hydrogen 3.072 N/A ILE 265.A N GLU 261.A O no hydrogen 2.883 N/A TYR 266.A N THR 262.A O no hydrogen 3.074 N/A MET 267.A N CYS 263.A O no hydrogen 3.097 N/A HIS 268.A N ASP 264.A O no hydrogen 3.007 N/A TYR 269.A N ILE 265.A O no hydrogen 2.946 N/A TYR 269.A OH TYR 30.A OH no hydrogen 2.748 N/A LEU 270.A N TYR 266.A O no hydrogen 2.827 N/A ARG 271.A N MET 267.A O no hydrogen 2.838 N/A ARG 271.A NH1 ASP 245.A OD1 no hydrogen 3.396 N/A ARG 271.A NH2 ASP 245.A OD1 no hydrogen 3.005 N/A GLY 272.A N HIS 268.A O no hydrogen 2.923 N/A CYS 273.A N TYR 269.A O no hydrogen 3.086 N/A CYS 273.A SG TYR 269.A O no hydrogen 3.318 N/A SER 274.A N ARG 271.A O no hydrogen 3.251 N/A SER 274.A OG VAL 237.A O no hydrogen 3.521 N/A SER 274.A OG ASN 241.A OD1 no hydrogen 3.024 N/A LEU 276.A N CYS 273.A O no hydrogen 3.062 N/A PHE 277.A N CYS 273.A O no hydrogen 3.465 N/A PHE 277.A N SER 274.A O no hydrogen 3.137 N/A ARG 278.A N SER 274.A O no hydrogen 3.064 N/A ARG 278.A NE ASP 279.A OD1 no hydrogen 3.221 N/A ARG 278.A NH2 ASP 279.A OD1 no hydrogen 3.549 N/A ASP 279.A N ASP 275.A O no hydrogen 2.749 N/A LYS 280.A N PHE 277.A O no hydrogen 3.458 N/A TYR 281.A N LEU 276.A O no hydrogen 2.863 N/A TYR 281.A OH SER 188.A OG no hydrogen 3.390 N/A THR 282.A N LEU 276.A O no hydrogen 3.372 N/A ASP 283.A N THR 174.A O no hydrogen 2.911 N/A CYS 285.A N THR 172.A O no hydrogen 2.998 N/A GLN 286.A N HIS 230.A O no hydrogen 3.009 N/A GLN 286.A NE2 HIS 171.A ND1 no hydrogen 2.724 N/A PHE 287.A N LEU 170.A O no hydrogen 2.689 N/A THR 288.A N ARG 228.A O no hydrogen 3.021 N/A LEU 289.A N MET 168.A O no hydrogen 2.892 N/A VAL 290.A N LYS 225.A O no hydrogen 2.877 N/A LYS 291.A NZ TYR 159.A O no hydrogen 2.733 N/A LYS 291.A NZ THR 162.A OG1 no hydrogen 3.047 N/A LYS 291.A NZ PRO 163.A O no hydrogen 2.905 N/A