Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kum_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG ARG 2.A O no hydrogen 4.046 N/A CYS 1.A SG ASP 252.A OD1 no hydrogen 3.402 N/A ARG 2.A N ASP 252.A OD2 no hydrogen 3.294 N/A ARG 2.A NH2 ASP 252.A O no hydrogen 2.677 N/A ARG 4.A NE VAL 6.A O no hydrogen 3.134 N/A ARG 4.A NH1 GLU 280.A OE2 no hydrogen 2.882 N/A ARG 4.A NH2 SER 275.A OG no hydrogen 2.908 N/A ARG 4.A NH2 GLU 280.A OE1 no hydrogen 3.170 N/A PHE 5.A N GLU 254.A OE1 no hydrogen 2.679 N/A VAL 6.A N GLU 254.A OE2 no hydrogen 3.080 N/A LYS 7.A N GLN 11.A O no hydrogen 2.710 N/A LYS 8.A NZ HIS 158.A O no hydrogen 2.628 N/A LYS 8.A NZ SER 275.A O no hydrogen 3.028 N/A LYS 8.A NZ GLU 280.A OE1 no hydrogen 2.830 N/A GLY 10.A N LYS 7.A O no hydrogen 3.215 N/A GLN 11.A N ASN 9.A OD1 no hydrogen 2.636 N/A ASN 13.A N PHE 5.A O no hydrogen 2.894 N/A ASN 13.A ND2 ARG 4.A O no hydrogen 2.826 N/A ASP 21.A N ASP 21.A OD1 no hydrogen 2.455 N/A ARG 25.A NE ASP 21.A OD2 no hydrogen 3.100 N/A TYR 26.A N TRP 22.A O no hydrogen 2.620 N/A ILE 27.A N PRO 23.A O no hydrogen 2.932 N/A ALA 28.A N GLN 24.A O no hydrogen 2.995 N/A ASP 29.A N ARG 25.A O no hydrogen 2.999 N/A THR 32.A OG1 ASP 29.A OD1 no hydrogen 2.775 N/A THR 32.A OG1 ASP 29.A OD2 no hydrogen 3.462 N/A THR 33.A N ASP 29.A O no hydrogen 3.205 N/A THR 33.A OG1 TYR 26.A O no hydrogen 2.672 N/A THR 33.A OG1 ASP 29.A O no hydrogen 2.753 N/A CYS 34.A N MET 30.A O no hydrogen 2.694 N/A VAL 35.A N PHE 31.A O no hydrogen 2.855 N/A ASP 36.A N THR 33.A O no hydrogen 3.169 N/A ILE 37.A N THR 33.A O no hydrogen 3.269 N/A TYR 41.A N ARG 38.A O no hydrogen 2.522 N/A MET 42.A N ARG 38.A O no hydrogen 3.083 N/A LEU 43.A N TRP 39.A O no hydrogen 2.742 N/A LEU 44.A N ARG 40.A O no hydrogen 3.147 N/A LEU 45.A N TYR 41.A O no hydrogen 2.911 N/A PHE 46.A N MET 42.A O no hydrogen 3.028 N/A SER 47.A N LEU 43.A O no hydrogen 2.825 N/A SER 47.A OG LEU 43.A O no hydrogen 3.014 N/A LEU 48.A N LEU 44.A O no hydrogen 2.804 N/A ALA 49.A N LEU 45.A O no hydrogen 3.231 N/A PHE 50.A N PHE 46.A O no hydrogen 3.108 N/A LEU 51.A N SER 47.A O no hydrogen 2.890 N/A VAL 52.A N LEU 48.A O no hydrogen 2.783 N/A SER 53.A N ALA 49.A O no hydrogen 3.030 N/A SER 53.A OG ALA 49.A O no hydrogen 2.623 N/A SER 53.A OG PHE 50.A O no hydrogen 2.724 N/A TRP 54.A N PHE 50.A O no hydrogen 2.775 N/A LEU 55.A N LEU 51.A O no hydrogen 2.801 N/A LEU 56.A N VAL 52.A O no hydrogen 2.895 N/A PHE 57.A N SER 53.A O no hydrogen 3.039 N/A GLY 58.A N TRP 54.A O no hydrogen 2.851 N/A LEU 59.A N LEU 55.A O no hydrogen 2.804 N/A ILE 60.A N LEU 56.A O no hydrogen 2.962 N/A PHE 61.A N PHE 57.A O no hydrogen 2.691 N/A TRP 62.A N GLY 58.A O no hydrogen 2.724 N/A LEU 63.A N LEU 59.A O no hydrogen 2.905 N/A ILE 64.A N ILE 60.A O no hydrogen 3.062 N/A ALA 65.A N PHE 61.A O no hydrogen 3.087 N/A ALA 65.A N TRP 62.A O no hydrogen 3.075 N/A LEU 66.A N TRP 62.A O no hydrogen 2.743 N/A ILE 67.A N LEU 63.A O no hydrogen 2.864 N/A HIS 68.A N ILE 64.A O no hydrogen 2.961 N/A HIS 68.A ND1 ASP 70.A OD1 no hydrogen 2.523 N/A GLY 69.A N LEU 66.A O no hydrogen 3.247 N/A ASP 70.A N ALA 65.A O no hydrogen 2.897 N/A GLY 76.A N ASN 73.A O no hydrogen 3.382 N/A ASP 77.A N PHE 80.A O no hydrogen 2.847 N/A THR 79.A OG1 ASP 78.A O no hydrogen 2.264 N/A PHE 80.A N ASP 77.A O no hydrogen 3.278 N/A LYS 81.A NZ GLU 113.A OE1 no hydrogen 2.866 N/A CYS 83.A N ASP 70.A OD2 no hydrogen 3.024 N/A CYS 83.A SG ASP 70.A OD2 no hydrogen 3.847 N/A LEU 85.A N CYS 110.A O no hydrogen 2.767 N/A GLN 86.A N PRO 74.A O no hydrogen 3.214 N/A PHE 94.A N PHE 90.A O no hydrogen 2.806 N/A LEU 95.A N VAL 91.A O no hydrogen 2.854 N/A PHE 96.A N ALA 92.A O no hydrogen 3.134 N/A SER 97.A N ALA 93.A O no hydrogen 2.977 N/A SER 97.A OG TRP 54.A O no hydrogen 2.666 N/A ILE 98.A N PHE 94.A O no hydrogen 2.775 N/A GLU 99.A N LEU 95.A O no hydrogen 2.848 N/A THR 100.A N PHE 96.A O no hydrogen 2.974 N/A THR 100.A OG1 PHE 96.A O no hydrogen 2.814 N/A GLN 101.A N SER 97.A O no hydrogen 3.084 N/A GLN 101.A NE2 SER 53.A OG no hydrogen 2.982 N/A THR 102.A N ILE 98.A O no hydrogen 2.875 N/A THR 102.A OG1 ILE 98.A O no hydrogen 2.473 N/A THR 102.A OG1 GLU 99.A O no hydrogen 3.388 N/A THR 103.A N THR 100.A O no hydrogen 2.945 N/A THR 103.A OG1 THR 102.A O no hydrogen 2.548 N/A ILE 104.A N THR 102.A OG1 no hydrogen 3.021 N/A GLY 105.A N GLU 99.A O no hydrogen 2.846 N/A ARG 109.A NE GLU 99.A OE1 no hydrogen 3.076 N/A ARG 109.A NE GLU 99.A OE2 no hydrogen 3.370 N/A ARG 109.A NH2 GLU 99.A OE1 no hydrogen 3.359 N/A ARG 109.A NH2 GLU 99.A OE2 no hydrogen 2.883 N/A CYS 110.A N LEU 85.A O no hydrogen 3.263 N/A CYS 110.A SG VAL 111.A O no hydrogen 3.355 N/A THR 112.A N CYS 83.A O no hydrogen 3.027 N/A THR 112.A OG1 PRO 82.A O no hydrogen 2.470 N/A THR 112.A OG1 CYS 83.A O no hydrogen 2.863 N/A VAL 119.A N CYS 115.A O no hydrogen 3.138 N/A PHE 120.A N PRO 116.A O no hydrogen 2.891 N/A MET 121.A N LEU 117.A O no hydrogen 3.097 N/A VAL 122.A N ALA 118.A O no hydrogen 3.260 N/A VAL 123.A N VAL 119.A O no hydrogen 2.982 N/A VAL 124.A N PHE 120.A O no hydrogen 2.793 N/A GLN 125.A N MET 121.A O no hydrogen 2.810 N/A GLN 125.A NE2 SER 97.A OG no hydrogen 2.816 N/A GLN 125.A NE2 GLN 101.A OE1 no hydrogen 3.322 N/A SER 126.A N VAL 122.A O no hydrogen 3.040 N/A SER 126.A OG VAL 122.A O no hydrogen 2.985 N/A ILE 127.A N VAL 123.A O no hydrogen 3.249 N/A VAL 128.A N VAL 124.A O no hydrogen 2.835 N/A GLY 129.A N GLN 125.A O no hydrogen 2.770 N/A CYS 130.A N SER 126.A O no hydrogen 3.115 N/A CYS 130.A SG SER 126.A O no hydrogen 3.492 N/A ILE 131.A N ILE 127.A O no hydrogen 3.023 N/A ILE 132.A N VAL 128.A O no hydrogen 3.014 N/A ASP 133.A N GLY 129.A O no hydrogen 2.940 N/A SER 134.A N CYS 130.A O no hydrogen 2.859 N/A SER 134.A OG CYS 130.A O no hydrogen 2.646 N/A PHE 135.A N ILE 131.A O no hydrogen 3.014 N/A MET 136.A N ILE 132.A O no hydrogen 2.970 N/A ILE 137.A N ASP 133.A O no hydrogen 2.882 N/A GLY 138.A N SER 134.A O no hydrogen 2.961 N/A ALA 139.A N PHE 135.A O no hydrogen 2.738 N/A ILE 140.A N MET 136.A O no hydrogen 2.806 N/A MET 141.A N ILE 137.A O no hydrogen 2.751 N/A ALA 142.A N GLY 138.A O no hydrogen 2.911 N/A LYS 143.A N ALA 139.A O no hydrogen 2.871 N/A LYS 143.A NZ VAL 35.A O no hydrogen 2.849 N/A LYS 143.A NZ ILE 37.A O no hydrogen 2.622 N/A MET 144.A N ILE 140.A O no hydrogen 2.808 N/A ALA 145.A N MET 141.A O no hydrogen 3.020 N/A ALA 145.A N ALA 142.A O no hydrogen 2.909 N/A ARG 146.A N LYS 143.A O no hydrogen 3.454 N/A ARG 146.A NH1 LYS 143.A O no hydrogen 2.674 N/A ARG 150.A N PRO 147.A O no hydrogen 2.945 N/A ARG 150.A NH1 THR 153.A O no hydrogen 3.263 N/A ARG 150.A NH1 ASN 177.A OD1 no hydrogen 3.219 N/A ARG 150.A NH2 ASN 177.A OD1 no hydrogen 2.964 N/A ALA 151.A N LYS 148.A O no hydrogen 2.876 N/A GLN 152.A N LYS 149.A O no hydrogen 3.298 N/A THR 153.A N ARG 150.A O no hydrogen 2.871 N/A THR 153.A OG1 ARG 150.A O no hydrogen 3.050 N/A LEU 154.A N ALA 151.A O no hydrogen 3.129 N/A LEU 155.A N GLY 176.A O no hydrogen 2.963 N/A SER 157.A N ARG 174.A O no hydrogen 2.934 N/A SER 157.A OG ASN 159.A O no hydrogen 2.855 N/A SER 157.A OG TYR 276.A OH no hydrogen 3.071 N/A HIS 158.A N HIS 306.A ND1 no hydrogen 3.263 N/A ASN 159.A ND2 GLU 280.A O no hydrogen 2.763 N/A VAL 161.A N MET 172.A O no hydrogen 2.863 N/A VAL 162.A N LEU 282.A O no hydrogen 3.126 N/A ALA 163.A N CYS 170.A O no hydrogen 3.252 N/A ARG 165.A N LYS 168.A O no hydrogen 2.884 N/A LYS 168.A N ARG 165.A O no hydrogen 3.057 N/A LYS 168.A NZ GLU 233.A OE2 no hydrogen 3.195 N/A CYS 170.A N ALA 163.A O no hydrogen 2.908 N/A CYS 170.A SG LYS 168.A O no hydrogen 3.945 N/A LEU 171.A N HIS 232.A O no hydrogen 2.861 N/A MET 172.A N VAL 161.A O no hydrogen 2.862 N/A ARG 174.A N SER 157.A OG no hydrogen 3.180 N/A ARG 174.A NH1 GLU 288.A O no hydrogen 3.013 N/A ARG 174.A NH1 PHE 305.A O no hydrogen 2.833 N/A ARG 174.A NH2 GLU 288.A O no hydrogen 3.120 N/A VAL 175.A N ILE 228.A O no hydrogen 2.993 N/A GLY 176.A N LEU 155.A O no hydrogen 3.002 N/A ASN 177.A ND2 SER 181.A O no hydrogen 2.949 N/A LEU 178.A N THR 153.A O no hydrogen 2.729 N/A ARG 179.A N ASN 177.A OD1 no hydrogen 3.252 N/A VAL 184.A N MET 262.A O no hydrogen 3.042 N/A HIS 187.A N GLU 260.A O no hydrogen 2.856 N/A VAL 188.A N ASP 220.A O no hydrogen 3.155 N/A ARG 189.A N ILE 258.A O no hydrogen 2.820 N/A GLN 191.A N VAL 256.A O no hydrogen 2.959 N/A LEU 192.A N ILE 209.A O no hydrogen 2.876 N/A ILE 193.A N GLU 254.A O no hydrogen 2.778 N/A ARG 196.A N ILE 204.A O no hydrogen 3.127 N/A ARG 196.A NE ASP 207.A OD2 no hydrogen 3.053 N/A THR 198.A N GLU 202.A O no hydrogen 2.837 N/A THR 198.A OG1 GLU 200.A OE1 no hydrogen 3.328 N/A GLY 201.A N THR 198.A O no hydrogen 2.679 N/A GLU 202.A N THR 198.A OG1 no hydrogen 2.802 N/A ILE 204.A N ARG 196.A O no hydrogen 2.985 N/A ASP 207.A N LYS 194.A O no hydrogen 3.252 N/A GLN 208.A N ASP 207.A OD1 no hydrogen 2.993 N/A GLN 208.A NE2 GLN 191.A OE1 no hydrogen 2.613 N/A ILE 209.A N LEU 192.A O no hydrogen 3.045 N/A ILE 211.A N ALA 190.A O no hydrogen 2.921 N/A GLY 214.A N ASP 212.A OD1 no hydrogen 2.629 N/A LYS 217.A N GLY 214.A O no hydrogen 3.084 N/A GLY 218.A N PHE 215.A O no hydrogen 3.135 N/A LEU 219.A N GLY 214.A O no hydrogen 2.672 N/A ARG 221.A N GLY 218.A O no hydrogen 3.273 N/A ARG 221.A NH1 GLY 218.A O no hydrogen 3.361 N/A ILE 222.A N ALA 186.A O no hydrogen 3.068 N/A SER 226.A OG PRO 227.A O no hydrogen 3.241 N/A ILE 228.A N VAL 175.A O no hydrogen 2.993 N/A ILE 230.A N TRP 173.A O no hydrogen 2.709 N/A HIS 232.A N LEU 171.A O no hydrogen 2.882 N/A HIS 232.A ND1 ASP 212.A O no hydrogen 2.685 N/A HIS 232.A NE2 SER 238.A OG no hydrogen 2.837 N/A ILE 234.A N LEU 169.A O no hydrogen 2.796 N/A ASN 235.A ND2 GLU 233.A OE2 no hydrogen 3.002 N/A ASP 237.A N ASN 235.A OD1 no hydrogen 2.958 N/A SER 238.A N ASN 235.A O no hydrogen 2.758 N/A SER 238.A OG HIS 232.A NE2 no hydrogen 2.837 N/A LEU 240.A N SER 238.A OG no hydrogen 2.861 N/A SER 244.A N ASP 247.A OD2 no hydrogen 3.400 N/A SER 244.A OG ASP 247.A OD2 no hydrogen 2.716 N/A ARG 245.A N ARG 316.A O no hydrogen 3.096 N/A ARG 245.A NE GLU 249.A OE2 no hydrogen 2.775 N/A LEU 248.A N SER 244.A O no hydrogen 3.100 N/A GLU 249.A N ARG 245.A O no hydrogen 3.213 N/A THR 250.A N ASP 247.A O no hydrogen 3.020 N/A THR 250.A OG1 ASP 247.A O no hydrogen 3.140 N/A ASP 251.A N LEU 248.A O no hydrogen 3.048 N/A ASP 252.A N ASP 251.A OD1 no hydrogen 3.016 N/A GLU 254.A N ILE 193.A O no hydrogen 3.231 N/A ILE 255.A N TYR 276.A O no hydrogen 2.615 N/A VAL 256.A N GLN 191.A O no hydrogen 2.804 N/A VAL 257.A N SER 274.A O no hydrogen 2.960 N/A ILE 258.A N ARG 189.A O no hydrogen 3.103 N/A LEU 259.A N ALA 272.A O no hydrogen 2.895 N/A GLU 260.A N HIS 187.A O no hydrogen 2.861 N/A GLY 261.A N THR 270.A O no hydrogen 3.255 N/A MET 262.A N VAL 184.A O no hydrogen 2.782 N/A VAL 263.A N MET 268.A O no hydrogen 2.878 N/A ALA 267.A N VAL 263.A O no hydrogen 2.636 N/A MET 268.A N THR 266.A OG1 no hydrogen 3.353 N/A THR 270.A N GLY 261.A O no hydrogen 2.609 N/A THR 270.A OG1 PRO 147.A O no hydrogen 2.630 N/A GLN 271.A NE2 GLU 260.A OE2 no hydrogen 2.281 N/A ALA 272.A N LEU 259.A O no hydrogen 2.808 N/A ARG 273.A NE GLY 10.A O no hydrogen 2.857 N/A ARG 273.A NH1 GLN 271.A OE1 no hydrogen 2.736 N/A ARG 273.A NH2 GLY 10.A O no hydrogen 3.569 N/A SER 274.A N VAL 257.A O no hydrogen 3.002 N/A SER 274.A OG LYS 8.A O no hydrogen 3.200 N/A SER 274.A OG SER 275.A O no hydrogen 3.479 N/A SER 275.A N SER 274.A OG no hydrogen 2.466 N/A SER 275.A OG GLU 254.A OE2 no hydrogen 2.751 N/A SER 275.A OG ILE 255.A O no hydrogen 3.530 N/A TYR 276.A N ILE 255.A O no hydrogen 2.597 N/A TYR 276.A OH SER 157.A O no hydrogen 2.524 N/A TYR 276.A OH SER 157.A OG no hydrogen 3.071 N/A LEU 277.A N GLU 280.A OE1 no hydrogen 3.101 N/A ALA 278.A N PHE 253.A O no hydrogen 2.836 N/A GLU 280.A N LEU 277.A O no hydrogen 2.750 N/A ILE 281.A N ALA 278.A O no hydrogen 3.055 N/A LEU 282.A N ALA 160.A O no hydrogen 3.089 N/A TRP 283.A NE1 PRO 315.A O no hydrogen 2.891 N/A GLY 284.A N VAL 162.A O no hydrogen 2.921 N/A HIS 285.A N VAL 162.A O no hydrogen 3.244 N/A HIS 285.A ND1 TRP 283.A O no hydrogen 3.173 N/A ARG 286.A N TYR 309.A O no hydrogen 3.108 N/A ARG 286.A NE TYR 309.A OH no hydrogen 3.000 N/A ARG 286.A NH2 TYR 309.A OH no hydrogen 2.654 N/A GLU 288.A N LYS 307.A O no hydrogen 2.839 N/A PHE 292.A N LYS 299.A O no hydrogen 2.969 N/A GLU 294.A N GLN 297.A O no hydrogen 2.766 N/A GLN 297.A NE2 GLU 294.A OE2 no hydrogen 3.546 N/A LYS 299.A N PHE 292.A O no hydrogen 2.846 N/A LYS 299.A NZ GLU 294.A OE1 no hydrogen 3.288 N/A LYS 299.A NZ GLU 294.A OE2 no hydrogen 3.500 N/A ASP 301.A N VAL 290.A O no hydrogen 2.970 N/A SER 303.A N ASP 301.A OD1 no hydrogen 3.121 N/A SER 303.A OG ASP 301.A OD1 no hydrogen 2.575 N/A PHE 305.A N TYR 302.A O no hydrogen 3.366 N/A LYS 307.A N HIS 304.A O no hydrogen 2.759 N/A TYR 309.A N ARG 286.A O no hydrogen 2.739 N/A VAL 311.A N GLY 284.A O no hydrogen 2.957 N/A THR 314.A N VAL 311.A O no hydrogen 3.226 N/A THR 314.A OG1 VAL 311.A O no hydrogen 2.995 N/A CYS 317.A SG SER 318.A O no hydrogen 3.501 N/A SER 318.A N ASP 321.A OD2 no hydrogen 3.411 N/A LYS 320.A N PHE 241.A O no hydrogen 3.050 N/A ASP 321.A N SER 318.A OG no hydrogen 2.979 N/A LEU 322.A N SER 318.A O no hydrogen 2.923 N/A VAL 323.A N ALA 319.A O no hydrogen 3.168 N/A VAL 323.A N LYS 320.A O no hydrogen 2.833 N/A GLU 324.A N LYS 320.A O no hydrogen 2.698 N/A ASN 325.A N ASP 321.A O no hydrogen 2.920 N/A