Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ki1_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N GLU 7.A OE2 no hydrogen 2.629 N/A GLU 7.A N THR 4.A OG1 no hydrogen 3.280 N/A ARG 8.A N THR 4.A O no hydrogen 2.879 N/A LYS 9.A N PRO 5.A O no hydrogen 3.006 N/A ARG 10.A N THR 6.A O no hydrogen 3.081 N/A ARG 10.A NE THR 168.A OG1 no hydrogen 3.063 N/A ARG 10.A NH1 VAL 84.A O no hydrogen 2.777 N/A ARG 10.A NH1 LYS 85.A O no hydrogen 3.472 N/A ARG 10.A NH2 LYS 85.A O no hydrogen 3.132 N/A GLN 11.A N GLU 7.A O no hydrogen 3.255 N/A GLN 11.A NE2 VAL 84.A O no hydrogen 3.219 N/A GLY 12.A N ARG 8.A O no hydrogen 2.922 N/A TYR 13.A N LYS 9.A O no hydrogen 2.955 N/A ILE 14.A N ARG 10.A O no hydrogen 3.013 N/A HIS 15.A N GLN 11.A O no hydrogen 2.860 N/A GLU 16.A N GLY 12.A O no hydrogen 2.882 N/A LEU 17.A N TYR 13.A O no hydrogen 3.040 N/A ILE 18.A N ILE 14.A O no hydrogen 3.195 N/A VAL 19.A N HIS 15.A O no hydrogen 2.961 N/A THR 20.A N GLU 16.A O no hydrogen 2.989 N/A THR 20.A OG1 GLU 16.A O no hydrogen 2.675 N/A THR 20.A OG1 LEU 17.A O no hydrogen 3.068 N/A GLU 21.A N LEU 17.A O no hydrogen 3.035 N/A GLU 21.A N ILE 18.A O no hydrogen 3.204 N/A GLU 22.A N ILE 18.A O no hydrogen 3.004 N/A ASN 23.A N VAL 19.A O no hydrogen 3.035 N/A TYR 24.A N THR 20.A O no hydrogen 2.953 N/A TYR 24.A OH TYR 101.A OH no hydrogen 2.669 N/A VAL 25.A N GLU 21.A O no hydrogen 2.910 N/A ASN 26.A N GLU 22.A O no hydrogen 2.863 N/A ASP 27.A N ASN 23.A O no hydrogen 2.985 N/A LEU 28.A N TYR 24.A O no hydrogen 2.858 N/A GLN 29.A N VAL 25.A O no hydrogen 3.107 N/A LEU 30.A N ASN 26.A O no hydrogen 3.026 N/A VAL 31.A N ASP 27.A O no hydrogen 3.250 N/A GLU 33.A N GLN 29.A O no hydrogen 3.106 N/A ILE 34.A N LEU 30.A O no hydrogen 2.767 N/A PHE 35.A N VAL 31.A O no hydrogen 2.913 N/A GLN 36.A N VAL 31.A O no hydrogen 2.916 N/A LYS 37.A N THR 32.A O no hydrogen 3.092 N/A LEU 39.A N PHE 35.A O no hydrogen 3.002 N/A MET 40.A N GLN 36.A O no hydrogen 3.000 N/A GLU 41.A N LYS 37.A O no hydrogen 2.942 N/A SER 42.A N LEU 39.A O no hydrogen 3.237 N/A SER 42.A OG LEU 39.A O no hydrogen 2.713 N/A LEU 44.A N SER 42.A OG no hydrogen 3.095 N/A THR 46.A N GLU 49.A OE1 no hydrogen 2.924 N/A GLU 49.A N THR 46.A OG1 no hydrogen 3.210 N/A VAL 50.A N THR 46.A O no hydrogen 3.048 N/A ALA 51.A N GLU 47.A O no hydrogen 3.049 N/A MET 52.A N LYS 48.A O no hydrogen 3.076 N/A ILE 53.A N GLU 49.A O no hydrogen 3.281 N/A ILE 53.A N VAL 50.A O no hydrogen 2.991 N/A PHE 54.A N VAL 50.A O no hydrogen 3.064 N/A VAL 55.A N ALA 51.A O no hydrogen 2.705 N/A ASN 56.A ND2 GLU 59.A OE1 no hydrogen 3.059 N/A ASN 56.A ND2 PRO 100.A O no hydrogen 3.050 N/A TRP 57.A N PHE 54.A O no hydrogen 2.880 N/A TRP 57.A NE1 LEU 28.A O no hydrogen 2.777 N/A GLU 59.A N ASN 56.A O no hydrogen 2.725 N/A LEU 60.A N ASN 56.A O no hydrogen 3.277 N/A ILE 61.A N TRP 57.A O no hydrogen 3.087 N/A MET 62.A N LYS 58.A O no hydrogen 3.094 N/A CYS 63.A N GLU 59.A O no hydrogen 2.890 N/A CYS 63.A SG HIS 97.A O no hydrogen 3.533 N/A ASN 64.A N LEU 60.A O no hydrogen 2.998 N/A ASN 64.A ND2 LEU 60.A O no hydrogen 3.060 N/A ASN 64.A ND2 TYR 101.A OH no hydrogen 2.525 N/A ILE 65.A N ILE 61.A O no hydrogen 2.946 N/A LYS 66.A N MET 62.A O no hydrogen 3.202 N/A LEU 68.A N ASN 64.A O no hydrogen 2.806 N/A LYS 69.A N ILE 65.A O no hydrogen 2.972 N/A ALA 70.A N LYS 66.A O no hydrogen 3.350 N/A LEU 71.A N LEU 67.A O no hydrogen 2.959 N/A ARG 72.A N LEU 68.A O no hydrogen 2.795 N/A ARG 72.A NE GLU 22.A OE2 no hydrogen 2.658 N/A ARG 72.A NH2 GLU 22.A OE1 no hydrogen 2.650 N/A ARG 72.A NH2 GLU 22.A OE2 no hydrogen 3.197 N/A VAL 73.A N LYS 69.A O no hydrogen 2.937 N/A ARG 74.A N ALA 70.A O no hydrogen 3.024 N/A ARG 74.A NH1 MET 86.A O no hydrogen 2.847 N/A ARG 74.A NH1 ASP 89.A OD1 no hydrogen 3.515 N/A ARG 74.A NH1 ASP 89.A OD2 no hydrogen 2.938 N/A ARG 74.A NH2 ASP 89.A OD1 no hydrogen 2.929 N/A LYS 75.A N LEU 71.A O no hydrogen 2.912 N/A LYS 76.A N ARG 72.A O no hydrogen 2.944 N/A MET 77.A N VAL 73.A O no hydrogen 2.945 N/A SER 78.A N ARG 74.A O no hydrogen 2.868 N/A SER 78.A OG ARG 74.A O no hydrogen 2.827 N/A GLY 79.A N LYS 75.A O no hydrogen 3.412 N/A MET 82.A N GLY 79.A O no hydrogen 3.247 N/A VAL 84.A N GLN 11.A OE1 no hydrogen 2.917 N/A ILE 87.A N ASP 174.A OD1 no hydrogen 3.261 N/A ILE 87.A N ASP 174.A OD2 no hydrogen 2.981 N/A GLY 88.A N ASP 174.A OD1 no hydrogen 2.864 N/A GLY 88.A N ASP 174.A OD2 no hydrogen 3.368 N/A ILE 90.A N ILE 87.A O no hydrogen 3.200 N/A LEU 91.A N ILE 87.A O no hydrogen 3.360 N/A SER 92.A N GLY 88.A O no hydrogen 2.865 N/A ALA 93.A N ASP 89.A O no hydrogen 3.103 N/A GLN 94.A N ILE 90.A O no hydrogen 2.900 N/A LEU 95.A N LEU 91.A O no hydrogen 2.903 N/A HIS 97.A N GLN 94.A O no hydrogen 2.767 N/A MET 98.A N LEU 95.A O no hydrogen 3.021 N/A TYR 101.A N MET 98.A O no hydrogen 2.997 N/A TYR 101.A OH TYR 24.A OH no hydrogen 2.669 N/A ILE 102.A N GLN 99.A O no hydrogen 2.887 N/A PHE 104.A N PRO 100.A O no hydrogen 3.138 N/A CYS 105.A N TYR 101.A O no hydrogen 3.022 N/A CYS 105.A SG TYR 101.A O no hydrogen 3.466 N/A CYS 105.A SG GLN 108.A OE1 no hydrogen 3.621 N/A SER 106.A N ILE 102.A O no hydrogen 3.039 N/A SER 106.A OG ILE 102.A O no hydrogen 3.149 N/A SER 106.A OG ARG 103.A O no hydrogen 2.929 N/A ARG 107.A N PHE 104.A O no hydrogen 3.076 N/A ASN 110.A ND2 ASP 203.A OD2 no hydrogen 3.030 N/A GLY 111.A N GLN 108.A O no hydrogen 2.857 N/A ALA 112.A N GLN 108.A O no hydrogen 2.873 N/A ALA 113.A N LEU 109.A O no hydrogen 2.944 N/A LEU 114.A N ASN 110.A O no hydrogen 3.306 N/A ILE 115.A N GLY 111.A O no hydrogen 3.054 N/A GLN 116.A N ALA 112.A O no hydrogen 2.950 N/A GLN 116.A NE2 ASP 120.A OD1 no hydrogen 3.485 N/A GLN 116.A NE2 ASP 120.A OD2 no hydrogen 3.256 N/A GLN 117.A N ALA 113.A O no hydrogen 2.791 N/A LYS 118.A N LEU 114.A O no hydrogen 2.906 N/A THR 119.A N ILE 115.A O no hydrogen 2.788 N/A THR 119.A OG1 ILE 115.A O no hydrogen 3.018 N/A ASP 120.A N GLN 116.A O no hydrogen 3.026 N/A GLU 121.A N GLN 117.A O no hydrogen 2.954 N/A ALA 122.A N LYS 118.A O no hydrogen 3.056 N/A LYS 126.A N ALA 122.A O no hydrogen 3.305 N/A LYS 126.A NZ THR 119.A O no hydrogen 3.510 N/A GLU 127.A N PRO 123.A O no hydrogen 3.011 N/A PHE 128.A N ASP 124.A O no hydrogen 2.841 N/A VAL 129.A N PHE 125.A O no hydrogen 2.956 N/A LYS 130.A N LYS 126.A O no hydrogen 3.153 N/A ARG 131.A N GLU 127.A O no hydrogen 2.944 N/A LEU 132.A N PHE 128.A O no hydrogen 2.943 N/A GLU 133.A N VAL 129.A O no hydrogen 3.169 N/A MET 134.A N ARG 131.A O no hydrogen 3.217 N/A ASP 135.A N LEU 132.A O no hydrogen 3.397 N/A ARG 137.A N ASP 135.A OD1 no hydrogen 2.752 N/A ARG 137.A NH1 GLU 33.A OE2 no hydrogen 2.925 N/A ARG 137.A NH1 ASP 135.A OD2 no hydrogen 2.907 N/A ARG 137.A NH2 GLU 33.A OE1 no hydrogen 2.605 N/A ARG 137.A NH2 GLU 33.A OE2 no hydrogen 2.703 N/A CYS 138.A N ASP 135.A O no hydrogen 2.867 N/A LYS 139.A N PRO 136.A O no hydrogen 3.030 N/A MET 141.A N CYS 138.A O no hydrogen 3.068 N/A SER 145.A N PRO 142.A O no hydrogen 3.016 N/A SER 145.A OG PRO 142.A O no hydrogen 2.591 N/A PHE 146.A N LEU 143.A O no hydrogen 2.946 N/A ILE 147.A N LEU 143.A O no hydrogen 3.193 N/A LEU 148.A N SER 145.A O no hydrogen 3.272 N/A LYS 149.A N PHE 146.A O no hydrogen 3.000 N/A LYS 149.A NZ ASP 27.A OD2 no hydrogen 3.299 N/A GLN 152.A N LEU 148.A O no hydrogen 3.181 N/A ARG 153.A N LYS 149.A O no hydrogen 2.781 N/A ARG 153.A NE GLU 21.A OE1 no hydrogen 2.936 N/A ARG 153.A NE TYR 157.A OH no hydrogen 3.448 N/A ARG 153.A NH1 THR 20.A OG1 no hydrogen 3.167 N/A ARG 153.A NH2 LEU 17.A O no hydrogen 3.531 N/A ARG 153.A NH2 THR 20.A OG1 no hydrogen 3.065 N/A ARG 153.A NH2 GLU 21.A OE1 no hydrogen 2.735 N/A VAL 154.A N PRO 150.A O no hydrogen 3.132 N/A THR 155.A N MET 151.A O no hydrogen 3.066 N/A THR 155.A OG1 MET 151.A O no hydrogen 2.804 N/A THR 155.A OG1 GLN 152.A O no hydrogen 3.073 N/A ARG 156.A N ARG 153.A O no hydrogen 3.049 N/A TYR 157.A N ARG 153.A O no hydrogen 3.178 N/A TYR 157.A OH GLU 21.A OE1 no hydrogen 2.761 N/A TYR 157.A OH ASN 64.A OD1 no hydrogen 3.101 N/A ILE 160.A N ARG 156.A O no hydrogen 2.963 N/A ILE 161.A N TYR 157.A O no hydrogen 2.837 N/A LYS 162.A N PRO 158.A O no hydrogen 2.797 N/A ASN 163.A N LEU 159.A O no hydrogen 3.042 N/A ILE 164.A N ILE 160.A O no hydrogen 2.982 N/A LEU 165.A N ILE 161.A O no hydrogen 2.755 N/A GLU 166.A N LYS 162.A O no hydrogen 2.912 N/A ASN 167.A N ILE 164.A O no hydrogen 3.197 N/A ASN 167.A ND2 ASN 163.A O no hydrogen 2.786 N/A THR 168.A N LEU 165.A O no hydrogen 2.828 N/A THR 168.A OG1 ILE 164.A O no hydrogen 2.710 N/A HIS 172.A N PRO 169.A O no hydrogen 3.022 N/A HIS 172.A NE2 LYS 85.A O no hydrogen 2.857 N/A HIS 175.A N HIS 172.A O no hydrogen 3.058 N/A HIS 175.A ND1 THR 168.A O no hydrogen 3.207 N/A LEU 178.A N ASP 174.A O no hydrogen 3.029 N/A LYS 179.A N HIS 175.A O no hydrogen 3.015 N/A HIS 180.A N SER 176.A O no hydrogen 2.961 N/A ALA 181.A N HIS 177.A O no hydrogen 2.779 N/A LEU 182.A N LEU 178.A O no hydrogen 2.817 N/A GLU 183.A N LYS 179.A O no hydrogen 3.207 N/A LYS 184.A N HIS 180.A O no hydrogen 2.966 N/A LYS 184.A NZ SER 92.A O no hydrogen 3.178 N/A LYS 184.A NZ SER 92.A OG no hydrogen 3.143 N/A ALA 185.A N ALA 181.A O no hydrogen 2.815 N/A GLU 186.A N LEU 182.A O no hydrogen 2.936 N/A GLU 187.A N GLU 183.A O no hydrogen 2.911 N/A LEU 188.A N LYS 184.A O no hydrogen 2.860 N/A CYS 189.A N ALA 185.A O no hydrogen 3.157 N/A CYS 189.A SG VAL 154.A O no hydrogen 3.088 N/A CYS 189.A SG ALA 185.A O no hydrogen 3.557 N/A SER 190.A N GLU 186.A O no hydrogen 2.980 N/A GLN 191.A N GLU 187.A O no hydrogen 2.809 N/A VAL 192.A N LEU 188.A O no hydrogen 2.863 N/A ASN 193.A N CYS 189.A O no hydrogen 2.794 N/A GLU 194.A N SER 190.A O no hydrogen 2.928 N/A GLY 195.A N GLN 191.A O no hydrogen 2.896 N/A VAL 196.A N VAL 192.A O no hydrogen 3.125 N/A ARG 197.A N ASN 193.A O no hydrogen 3.191 N/A ARG 197.A NH1 GLU 194.A OE1 no hydrogen 2.994 N/A GLU 198.A N GLU 194.A O no hydrogen 2.747 N/A LYS 199.A N GLY 195.A O no hydrogen 3.022 N/A LYS 199.A NZ ASP 203.A OD1 no hydrogen 3.164 N/A GLU 200.A N VAL 196.A O no hydrogen 2.935 N/A ASN 201.A N ARG 197.A O no hydrogen 2.991 N/A SER 202.A N GLU 198.A O no hydrogen 3.080 N/A SER 202.A OG ASN 224.A OD1 no hydrogen 2.873 N/A ASP 203.A N LYS 199.A O no hydrogen 2.890 N/A ARG 204.A N GLU 200.A O no hydrogen 2.864 N/A LEU 205.A N ASN 201.A O no hydrogen 3.001 N/A GLU 206.A N SER 202.A O no hydrogen 3.019 N/A TRP 207.A N ASP 203.A O no hydrogen 2.987 N/A TRP 207.A NE1 SER 271.A O no hydrogen 2.905 N/A ILE 208.A N ARG 204.A O no hydrogen 3.032 N/A GLN 209.A N LEU 205.A O no hydrogen 2.914 N/A GLN 209.A NE2 GLN 209.A O no hydrogen 2.908 N/A GLN 209.A NE2 LEU 221.A O no hydrogen 3.376 N/A ALA 210.A N TRP 207.A O no hydrogen 2.673 N/A HIS 211.A N ILE 208.A O no hydrogen 2.986 N/A HIS 211.A ND1 ASN 275.A O no hydrogen 2.655 N/A VAL 212.A N ILE 208.A O no hydrogen 3.108 N/A GLN 213.A N GLN 277.A O no hydrogen 2.536 N/A CYS 214.A SG VAL 212.A O no hydrogen 3.975 N/A SER 218.A OG LEU 217.A O no hydrogen 2.325 N/A SER 218.A OG GLU 219.A OE2 no hydrogen 3.442 N/A PHE 223.A N GLN 209.A OE1 no hydrogen 2.787 N/A SER 225.A N PHE 223.A O no hydrogen 2.951 N/A SER 225.A OG VAL 222.A O no hydrogen 2.586 N/A THR 227.A N GLY 231.A O no hydrogen 2.777 N/A THR 227.A OG1 GLY 231.A O no hydrogen 2.922 N/A LEU 230.A N THR 227.A OG1 no hydrogen 2.874 N/A ARG 233.A N SER 225.A O no hydrogen 2.925 N/A ARG 233.A NE PHE 223.A O no hydrogen 2.848 N/A ARG 233.A NH1 ASP 257.A OD1 no hydrogen 2.739 N/A ARG 233.A NH2 VAL 222.A O no hydrogen 3.559 N/A LYS 234.A N ASN 256.A OD1 no hydrogen 2.877 N/A LEU 236.A N LEU 254.A O no hydrogen 2.755 N/A HIS 237.A N LEU 254.A O no hydrogen 3.225 N/A SER 238.A OG TYR 251.A OH no hydrogen 3.063 N/A LYS 243.A NZ TYR 280.A OH no hydrogen 2.856 N/A TYR 251.A N THR 262.A O no hydrogen 2.881 N/A TYR 251.A OH SER 238.A OG no hydrogen 3.063 N/A PHE 253.A N LEU 260.A O no hydrogen 2.753 N/A LEU 254.A N HIS 237.A O no hydrogen 2.566 N/A PHE 255.A N PHE 258.A O no hydrogen 2.923 N/A ASN 256.A N LYS 234.A O no hydrogen 3.082 N/A ASN 256.A ND2 PRO 232.A O no hydrogen 3.551 N/A LEU 259.A N ILE 284.A O no hydrogen 2.798 N/A LEU 260.A N PHE 253.A O no hydrogen 2.711 N/A THR 262.A N TYR 251.A O no hydrogen 2.791 N/A THR 262.A OG1 TYR 251.A O no hydrogen 2.561 N/A GLN 263.A N TYR 278.A O no hydrogen 2.722 N/A THR 265.A N LEU 276.A O no hydrogen 3.111 N/A THR 265.A OG1 GLN 263.A O no hydrogen 3.472 N/A GLN 277.A N HIS 211.A O no hydrogen 2.789 N/A TYR 278.A N GLN 263.A O no hydrogen 2.994 N/A MET 279.A N GLN 213.A O no hydrogen 2.801 N/A TYR 280.A N LEU 261.A O no hydrogen 2.602 N/A LYS 281.A NZ TYR 310.A OH no hydrogen 3.090 N/A ILE 284.A N LEU 259.A O no hydrogen 3.085 N/A LEU 286.A N ASP 257.A O no hydrogen 3.108 N/A ASN 287.A ND2 GLU 338.A OE2 no hydrogen 3.452 N/A GLU 288.A N PHE 285.A O no hydrogen 3.165 N/A LEU 290.A N SER 304.A O no hydrogen 3.067 N/A LYS 292.A N HIS 302.A O no hydrogen 3.091 N/A HIS 302.A N LYS 292.A O no hydrogen 2.797 N/A ILE 303.A N TYR 310.A O no hydrogen 3.146 N/A SER 304.A N LEU 290.A O no hydrogen 2.964 N/A HIS 305.A N ARG 308.A O no hydrogen 3.080 N/A TYR 310.A N ILE 303.A O no hydrogen 2.874 N/A LEU 312.A N PHE 301.A O no hydrogen 3.051 N/A ARG 313.A N TYR 242.A O no hydrogen 2.680 N/A GLU 319.A N SER 316.A OG no hydrogen 3.301 N/A ARG 320.A N SER 316.A O no hydrogen 2.916 N/A THR 321.A N ILE 317.A O no hydrogen 3.485 N/A THR 321.A OG1 ILE 317.A O no hydrogen 2.774 N/A ALA 322.A N GLU 319.A O no hydrogen 3.023 N/A TRP 323.A N GLU 319.A O no hydrogen 3.095 N/A VAL 324.A N ARG 320.A O no hydrogen 3.368 N/A GLN 325.A N THR 321.A O no hydrogen 3.089 N/A LYS 326.A N ALA 322.A O no hydrogen 3.009 N/A LYS 326.A NZ LEU 236.A O no hydrogen 3.404 N/A ILE 327.A N TRP 323.A O no hydrogen 2.696 N/A LYS 328.A N VAL 324.A O no hydrogen 3.025 N/A ALA 329.A N GLN 325.A O no hydrogen 3.020 N/A ALA 330.A N LYS 326.A O no hydrogen 2.776 N/A SER 331.A N ILE 327.A O no hydrogen 2.819 N/A SER 331.A OG LEU 286.A O no hydrogen 2.387 N/A GLU 332.A N LYS 328.A O no hydrogen 2.922 N/A LEU 333.A N ALA 329.A O no hydrogen 3.003 N/A TYR 334.A N ALA 330.A O no hydrogen 3.017 N/A ILE 335.A N SER 331.A O no hydrogen 2.874 N/A GLU 336.A N GLU 332.A O no hydrogen 2.949 N/A THR 337.A N LEU 333.A O no hydrogen 3.223 N/A THR 337.A OG1 LEU 333.A O no hydrogen 2.685 N/A GLU 338.A N TYR 334.A O no hydrogen 2.883 N/A GLU 338.A N ILE 335.A O no hydrogen 2.920 N/A LYS 339.A N ILE 335.A O no hydrogen 2.846 N/A LYS 341.A NZ ASN 228.A OD1 no hydrogen 3.392 N/A