Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N LYS 28.A O no hydrogen 3.142 N/A LYS 3.A NZ VAL 256.A O no hydrogen 2.853 N/A ASN 4.A ND2 GLU 130.A O no hydrogen 3.461 N/A ASN 4.A ND2 LYS 131.A O no hydrogen 3.643 N/A VAL 5.A N ARG 30.A O no hydrogen 2.821 N/A VAL 6.A N THR 133.A O no hydrogen 2.910 N/A LEU 7.A N GLY 33.A O no hydrogen 2.987 N/A ASP 8.A N CYS 135.A O no hydrogen 2.793 N/A HIS 9.A N LEU 35.A O no hydrogen 2.904 N/A HIS 9.A NE2 THR 50.A OG1 no hydrogen 2.712 N/A ALA 10.A N ASP 15.A OD1 no hydrogen 2.813 N/A GLY 11.A N HIS 9.A ND1 no hydrogen 2.737 N/A ASN 12.A N ASP 15.A OD2 no hydrogen 2.798 N/A LEU 13.A N ASN 12.A OD1 no hydrogen 2.649 N/A PHE 16.A N ASN 12.A O no hydrogen 3.287 N/A VAL 17.A N LEU 13.A O no hydrogen 3.036 N/A ALA 18.A N ASP 14.A O no hydrogen 2.677 N/A MET 19.A N ASP 15.A O no hydrogen 2.817 N/A VAL 20.A N PHE 16.A O no hydrogen 2.971 N/A LEU 21.A N VAL 17.A O no hydrogen 2.927 N/A LEU 22.A N ALA 18.A O no hydrogen 2.939 N/A ALA 23.A N MET 19.A O no hydrogen 2.733 N/A SER 24.A N VAL 20.A O no hydrogen 2.715 N/A SER 24.A OG VAL 20.A O no hydrogen 2.523 N/A SER 24.A OG LEU 21.A O no hydrogen 3.199 N/A ASN 25.A N LEU 21.A O no hydrogen 3.269 N/A ASN 25.A N LEU 22.A O no hydrogen 3.301 N/A ASN 25.A ND2 LEU 21.A O no hydrogen 2.663 N/A ASN 25.A ND2 SER 311.A OG no hydrogen 2.873 N/A LYS 28.A N ASN 25.A O no hydrogen 3.109 N/A LYS 28.A NZ VAL 257.A O no hydrogen 3.381 N/A VAL 29.A N ASN 25.A O no hydrogen 2.698 N/A ARG 30.A N LYS 3.A O no hydrogen 2.850 N/A ARG 30.A NH2 ASN 4.A OD1 no hydrogen 2.773 N/A ILE 32.A N VAL 5.A O no hydrogen 2.859 N/A ALA 34.A N PRO 67.A O no hydrogen 2.911 N/A LEU 35.A N LEU 7.A O no hydrogen 2.880 N/A CYS 36.A N GLY 69.A O no hydrogen 2.800 N/A CYS 36.A SG.A HIS 9.A NE2 no hydrogen 3.471 N/A CYS 36.A SG.A THR 50.A OG1 no hydrogen 3.476 N/A CYS 36.A SG.B THR 37.A O no hydrogen 3.779 N/A CYS 36.A SG.B VAL 43.A O no hydrogen 3.965 N/A THR 37.A N HIS 9.A O no hydrogen 2.831 N/A CYS 41.A SG GLY 11.A O no hydrogen 3.361 N/A VAL 43.A N ASP 38.A OD1 no hydrogen 2.671 N/A GLY 46.A N PHE 42.A O no hydrogen 3.151 N/A PHE 47.A N VAL 43.A O no hydrogen 2.753 N/A ASN 48.A N GLU 44.A O no hydrogen 2.895 N/A VAL 49.A N ASN 45.A O no hydrogen 2.739 N/A THR 50.A N GLY 46.A O no hydrogen 2.819 N/A THR 50.A OG1 HIS 9.A NE2 no hydrogen 2.712 N/A THR 50.A OG1 GLY 46.A O no hydrogen 2.621 N/A GLY 51.A N PHE 47.A O no hydrogen 2.874 N/A LYS 52.A N ASN 48.A O no hydrogen 2.756 N/A LYS 52.A NZ ASP 91.A O no hydrogen 2.887 N/A LYS 52.A NZ ASP 91.A OD1 no hydrogen 2.775 N/A LYS 52.A NZ ASN 97.A OD1 no hydrogen 2.707 N/A ILE 53.A N VAL 49.A O no hydrogen 2.806 N/A MET 54.A N THR 50.A O no hydrogen 2.849 N/A CYS 55.A N GLY 51.A O no hydrogen 2.819 N/A CYS 55.A SG GLY 51.A O no hydrogen 3.173 N/A LEU 56.A N LYS 52.A O no hydrogen 2.960 N/A MET 57.A N ILE 53.A O no hydrogen 2.906 N/A HIS 58.A N MET 54.A O no hydrogen 2.685 N/A HIS 58.A ND1 LEU 63.A O no hydrogen 2.589 N/A ASN 59.A N CYS 55.A O no hydrogen 2.886 N/A ASN 59.A ND2 GLU 100.A O no hydrogen 3.046 N/A ASN 59.A ND2 ASN 101.A OD1 no hydrogen 2.774 N/A ASN 60.A N LEU 56.A O no hydrogen 2.966 N/A MET 61.A N MET 57.A O no hydrogen 2.873 N/A LEU 63.A N MET 57.A O no hydrogen 3.133 N/A ILE 68.A N ASN 112.A OD1 no hydrogen 2.773 N/A GLY 69.A N ALA 34.A O no hydrogen 2.831 N/A LYS 70.A NZ GLU 113.A OE1 no hydrogen 3.074 N/A SER 71.A N CYS 36.A O no hydrogen 2.705 N/A SER 71.A OG ASN 142.A OD1 no hydrogen 2.432 N/A ALA 72.A N GLU 116.A OE2 no hydrogen 2.843 N/A ALA 73.A N SER 71.A OG no hydrogen 2.986 N/A VAL 76.A N TRP 189.A O no hydrogen 2.634 N/A ASN 77.A N TRP 189.A O no hydrogen 3.023 N/A ASN 77.A ND2 TYR 188.A O no hydrogen 2.655 N/A ASN 77.A ND2 GLU 279.A OE2 no hydrogen 3.001 N/A ARG 84.A N GLU 82.A O no hydrogen 2.588 N/A LEU 86.A N ARG 84.A O no hydrogen 2.517 N/A LYS 88.A NZ LYS 88.A O no hydrogen 2.765 N/A ASN 89.A N LEU 86.A O no hydrogen 2.897 N/A ASP 91.A N ALA 87.A O no hydrogen 2.757 N/A ASP 92.A N ASN 89.A O no hydrogen 2.828 N/A MET 93.A N MET 90.A O no hydrogen 2.873 N/A LEU 96.A N MET 93.A O no hydrogen 3.088 N/A ASN 97.A N PRO 94.A O no hydrogen 2.845 N/A ASN 97.A ND2 ASP 91.A O no hydrogen 2.767 N/A ASN 97.A ND2 MET 93.A O no hydrogen 2.597 N/A ASN 101.A N ILE 98.A O no hydrogen 2.800 N/A VAL 102.A N ILE 98.A O no hydrogen 2.848 N/A GLU 103.A N PRO 99.A O no hydrogen 2.613 N/A LEU 104.A N GLU 100.A O no hydrogen 3.305 N/A TRP 105.A N ASN 101.A O no hydrogen 2.862 N/A TRP 105.A NE1 ASN 48.A OD1 no hydrogen 2.933 N/A ASP 106.A N VAL 102.A O no hydrogen 2.696 N/A LYS 107.A N GLU 103.A O no hydrogen 3.006 N/A ILE 108.A N LEU 104.A O no hydrogen 3.118 N/A ILE 108.A N TRP 105.A O no hydrogen 3.033 N/A LYS 109.A NZ ASN 48.A OD1 no hydrogen 2.980 N/A ASN 112.A N ILE 108.A O no hydrogen 3.294 N/A ASN 112.A ND2 ILE 108.A O no hydrogen 2.754 N/A GLU 113.A N LYS 109.A O no hydrogen 2.670 N/A LYS 114.A N ALA 110.A O no hydrogen 3.239 N/A LYS 114.A N GLU 111.A O no hydrogen 3.242 N/A TYR 115.A N ASN 112.A O no hydrogen 3.102 N/A GLY 117.A N LYS 70.A O no hydrogen 2.609 N/A GLN 118.A N GLU 116.A OE2 no hydrogen 2.951 N/A GLN 119.A N GLU 116.A OE1 no hydrogen 2.779 N/A LEU 120.A N GLU 116.A O no hydrogen 2.963 N/A LEU 121.A N GLY 117.A O no hydrogen 2.986 N/A ALA 122.A N GLN 118.A O no hydrogen 3.133 N/A ASP 123.A N GLN 119.A O no hydrogen 2.745 N/A LEU 124.A N LEU 120.A O no hydrogen 2.687 N/A VAL 125.A N LEU 121.A O no hydrogen 3.031 N/A MET 126.A N ALA 122.A O no hydrogen 2.769 N/A ASN 127.A N ASP 123.A O no hydrogen 2.789 N/A SER 128.A N VAL 125.A O no hydrogen 3.434 N/A SER 128.A OG GLU 130.A O no hydrogen 2.567 N/A VAL 132.A N LYS 157.A O no hydrogen 2.839 N/A THR 133.A N ASN 4.A O no hydrogen 2.815 N/A ILE 134.A N GLU 160.A O no hydrogen 2.826 N/A CYS 135.A N VAL 6.A O no hydrogen 2.828 N/A VAL 136.A N VAL 162.A O no hydrogen 2.750 N/A THR 137.A N ASP 8.A O no hydrogen 2.881 N/A THR 137.A OG1 ASP 15.A OD1 no hydrogen 2.591 N/A SER 141.A OG ASP 190.A OD2 no hydrogen 2.611 N/A ASN 142.A ND2 ASP 8.A OD1 no hydrogen 2.839 N/A ASN 142.A ND2 THR 37.A OG1 no hydrogen 2.664 N/A ALA 144.A N LEU 140.A O no hydrogen 2.908 N/A TRP 145.A N SER 141.A O no hydrogen 2.897 N/A CYS 146.A N ASN 142.A O no hydrogen 3.037 N/A CYS 146.A SG GLN 118.A O no hydrogen 3.422 N/A CYS 146.A SG ASN 142.A O no hydrogen 3.429 N/A ILE 147.A N VAL 143.A O no hydrogen 2.894 N/A ASP 148.A N ALA 144.A O no hydrogen 2.784 N/A LYS 149.A N TRP 145.A O no hydrogen 2.875 N/A LYS 149.A NZ TYR 150.A OH no hydrogen 3.059 N/A TYR 150.A N CYS 146.A O no hydrogen 2.745 N/A TYR 150.A OH GLN 119.A OE1 no hydrogen 2.736 N/A GLY 151.A N ILE 147.A O no hydrogen 2.551 N/A LYS 153.A N TYR 150.A O no hydrogen 2.997 N/A PHE 154.A N GLY 151.A O no hydrogen 2.810 N/A THR 155.A N GLY 151.A O no hydrogen 2.972 N/A THR 155.A OG1 GLY 151.A O no hydrogen 3.558 N/A SER 156.A N GLU 152.A O no hydrogen 2.962 N/A SER 156.A OG GLU 152.A O no hydrogen 2.653 N/A SER 156.A OG GLU 152.A OE2 no hydrogen 3.065 N/A LYS 157.A N PHE 154.A O no hydrogen 2.875 N/A LYS 157.A NZ SER 128.A O no hydrogen 2.584 N/A LYS 157.A NZ GLU 130.A O no hydrogen 3.553 N/A VAL 158.A N THR 155.A O no hydrogen 2.911 N/A GLU 159.A N VAL 132.A O no hydrogen 2.707 N/A CYS 161.A N ARG 204.A O no hydrogen 2.743 N/A CYS 161.A SG.B ILE 134.A O no hydrogen 3.777 N/A VAL 162.A N ILE 134.A O no hydrogen 2.774 N/A ILE 163.A N ILE 206.A O no hydrogen 2.714 N/A MET 164.A N VAL 136.A O no hydrogen 2.754 N/A GLY 165.A N PHE 208.A O no hydrogen 2.804 N/A GLY 166.A N GLU 184.A OE2 no hydrogen 2.673 N/A ALA 167.A N THR 282.A OG1 no hydrogen 2.925 N/A VAL 168.A N ASP 211.A OD1 no hydrogen 2.828 N/A ASP 169.A N ASP 211.A OD2 no hydrogen 2.600 N/A GLY 172.A N GLY 181.A O no hydrogen 2.682 N/A ASN 173.A N ALA 183.A O no hydrogen 2.817 N/A VAL 174.A N ALA 183.A O no hydrogen 2.992 N/A LEU 176.A N THR 179.A OG1 no hydrogen 2.871 N/A THR 179.A N LEU 176.A O no hydrogen 3.136 N/A THR 179.A OG1 VAL 174.A O no hydrogen 2.920 N/A THR 179.A OG1 LEU 176.A O no hydrogen 3.166 N/A ASP 180.A N PRO 277.A O no hydrogen 2.918 N/A THR 182.A N ASP 180.A OD1 no hydrogen 3.009 N/A THR 182.A OG1 ASP 180.A OD1 no hydrogen 2.613 N/A THR 182.A OG1 ASP 180.A OD2 no hydrogen 3.395 N/A TRP 185.A N ASN 173.A OD1 no hydrogen 2.811 N/A ASN 186.A N GLU 184.A OE1 no hydrogen 2.744 N/A ASN 186.A ND2 THR 137.A O no hydrogen 2.882 N/A ASN 186.A ND2 MET 164.A O no hydrogen 2.888 N/A ILE 187.A N GLU 184.A OE2 no hydrogen 3.197 N/A TYR 188.A N GLU 184.A O no hydrogen 2.962 N/A TRP 189.A N TRP 185.A O no hydrogen 2.883 N/A ASP 190.A N ILE 187.A O no hydrogen 3.023 N/A SER 193.A N ASP 190.A OD1 no hydrogen 3.073 N/A SER 193.A OG ASP 190.A OD2 no hydrogen 2.453 N/A ALA 194.A N ASP 190.A O no hydrogen 3.152 N/A LYS 195.A N PRO 191.A O no hydrogen 2.701 N/A LYS 195.A NZ ASP 270.A OD1 no hydrogen 2.809 N/A THR 196.A N ALA 192.A O no hydrogen 2.838 N/A THR 196.A OG1 ALA 192.A O no hydrogen 3.070 N/A VAL 197.A N SER 193.A O no hydrogen 2.980 N/A PHE 198.A N ALA 194.A O no hydrogen 2.751 N/A GLY 199.A N LYS 195.A O no hydrogen 2.898 N/A CYS 200.A N VAL 197.A O no hydrogen 3.195 N/A CYS 200.A SG PRO 201.A O no hydrogen 3.501 N/A ARG 204.A NE GLU 160.A OE2 no hydrogen 2.668 N/A ARG 205.A NE THR 293.A OG1 no hydrogen 2.906 N/A ARG 205.A NH1 VAL 197.A O no hydrogen 2.612 N/A ARG 205.A NH1 CYS 200.A O no hydrogen 2.655 N/A ARG 205.A NH2 LEU 292.A O no hydrogen 2.879 N/A ILE 206.A N CYS 161.A O no hydrogen 2.652 N/A MET 207.A N PHE 294.A O no hydrogen 2.630 N/A PHE 208.A N ILE 163.A O no hydrogen 2.586 N/A SER 209.A OG ASP 211.A OD1 no hydrogen 2.423 N/A LEU 210.A N GLY 166.A O no hydrogen 2.920 N/A SER 212.A N SER 209.A O no hydrogen 2.980 N/A SER 212.A OG SER 209.A O no hydrogen 3.074 N/A THR 213.A N SER 209.A O no hydrogen 3.049 N/A THR 213.A OG1 SER 209.A O no hydrogen 3.555 N/A ASN 214.A N LEU 210.A O no hydrogen 2.844 N/A THR 215.A N SER 212.A O no hydrogen 3.154 N/A THR 215.A OG1 SER 212.A O no hydrogen 2.586 N/A VAL 216.A N THR 213.A O no hydrogen 3.197 N/A TYR 222.A OH LEU 305.A O no hydrogen 2.581 N/A VAL 223.A N ARG 219.A O no hydrogen 2.871 N/A GLN 224.A N SER 220.A O no hydrogen 2.695 N/A ARG 225.A N TYR 222.A O no hydrogen 2.909 N/A PHE 226.A N VAL 223.A O no hydrogen 3.017 N/A GLY 227.A N GLN 224.A O no hydrogen 2.913 N/A GLU 228.A N ARG 225.A O no hydrogen 3.109 N/A GLN 229.A N PHE 226.A O no hydrogen 2.869 N/A GLN 229.A NE2 SER 235.A OG no hydrogen 2.806 N/A GLN 229.A NE2 LEU 309.A O no hydrogen 3.063 N/A PHE 232.A N GLN 229.A O no hydrogen 2.988 N/A LEU 233.A N CYS 315.A OXT no hydrogen 2.750 N/A LEU 234.A N CYS 315.A O no hydrogen 2.941 N/A SER 235.A N PHE 232.A O no hydrogen 2.953 N/A SER 235.A OG ALA 312.A O no hydrogen 2.682 N/A ILE 236.A N PHE 232.A O no hydrogen 3.084 N/A LEU 237.A N LEU 233.A O no hydrogen 2.832 N/A VAL 238.A N LEU 234.A O no hydrogen 2.718 N/A GLY 239.A N SER 235.A O no hydrogen 2.784 N/A THR 240.A N ILE 236.A O no hydrogen 2.855 N/A THR 240.A OG1 ILE 236.A O no hydrogen 2.492 N/A MET 241.A N LEU 237.A O no hydrogen 2.859 N/A TRP 242.A N VAL 238.A O no hydrogen 2.751 N/A TRP 242.A NE1 ASP 14.A OD1.A no hydrogen 2.861 N/A ALA 243.A N GLY 239.A O no hydrogen 2.714 N/A MET 244.A N MET 241.A O no hydrogen 3.168 N/A CYS 245.A N TRP 242.A O no hydrogen 2.925 N/A ALA 247.A N VAL 216.A O no hydrogen 3.136 N/A ASP 249.A N ASP 14.A OD2.B no hydrogen 3.243 N/A ALA 250.A N ASP 14.A OD2.A no hydrogen 2.624 N/A LEU 251.A N ALA 247.A O no hydrogen 2.855 N/A THR 252.A N TRP 248.A O no hydrogen 3.328 N/A THR 252.A OG1 TRP 248.A O no hydrogen 3.099 N/A ALA 253.A N ASP 249.A O no hydrogen 2.876 N/A ALA 254.A N ALA 250.A O no hydrogen 2.720 N/A TYR 255.A N LEU 251.A O no hydrogen 2.884 N/A VAL 256.A N THR 252.A O no hydrogen 3.289 N/A VAL 257.A N ALA 253.A O no hydrogen 2.995 N/A ASP 258.A N ALA 254.A O no hydrogen 2.855 N/A LYS 260.A N ASP 258.A OD1 no hydrogen 2.926 N/A VAL 261.A N ASP 258.A O no hydrogen 3.056 N/A ALA 262.A N GLN 259.A O no hydrogen 3.153 N/A ASP 265.A N VAL 295.A O no hydrogen 2.791 N/A VAL 267.A N THR 293.A O no hydrogen 2.611 N/A ASP 270.A N VAL 283.A O no hydrogen 2.749 N/A VAL 271.A N ASP 270.A OD1 no hydrogen 2.705 N/A VAL 272.A N ALA 281.A O no hydrogen 2.879 N/A LYS 275.A NZ GLU 279.A OE2 no hydrogen 2.711 N/A GLN 276.A N ASP 274.A O no hydrogen 2.760 N/A GLN 276.A NE2 ASN 278.A OD1 no hydrogen 2.806 N/A GLU 279.A N GLN 276.A O no hydrogen 2.903 N/A GLY 280.A N VAL 272.A O no hydrogen 2.611 N/A ALA 281.A N ASN 278.A O no hydrogen 2.748 N/A THR 282.A OG1 ALA 167.A O no hydrogen 2.985 N/A VAL 283.A N ASP 270.A O no hydrogen 2.775 N/A ARG 284.A NH1 ASP 169.A OD1 no hydrogen 3.049 N/A ARG 284.A NH1 ASP 169.A OD2 no hydrogen 2.702 N/A ARG 284.A NH2 ASP 169.A OD1 no hydrogen 2.674 N/A THR 285.A N PRO 268.A O no hydrogen 3.029 N/A ALA 287.A N THR 285.A OG1 no hydrogen 3.178 N/A TYR 290.A N ALA 287.A O no hydrogen 3.381 N/A TYR 290.A OH ILE 269.A O no hydrogen 2.437 N/A THR 293.A N VAL 267.A O no hydrogen 2.711 N/A PHE 294.A N ARG 205.A O no hydrogen 2.735 N/A VAL 295.A N ASP 265.A O no hydrogen 2.873 N/A ALA 296.A N MET 207.A O no hydrogen 2.851 N/A ARG 297.A N ASN 263.A O no hydrogen 2.808 N/A GLU 300.A N VAL 261.A O no hydrogen 2.602 N/A PHE 304.A N GLU 300.A O no hydrogen 2.858 N/A LEU 305.A N ALA 301.A O no hydrogen 2.730 N/A ASP 306.A N GLU 302.A O no hydrogen 2.789 N/A MET 307.A N PHE 303.A O no hydrogen 2.839 N/A LEU 308.A N PHE 304.A O no hydrogen 2.837 N/A LEU 309.A N LEU 305.A O no hydrogen 3.091 N/A ARG 310.A N ASP 306.A O no hydrogen 2.810 N/A ARG 310.A NH1 ASN 25.A OD1 no hydrogen 3.100 N/A ARG 310.A NH2 ASN 25.A OD1 no hydrogen 3.046 N/A SER 311.A N MET 307.A O no hydrogen 2.684 N/A SER 311.A OG MET 307.A O no hydrogen 2.791 N/A ALA 312.A N LEU 308.A O no hydrogen 2.844 N/A ARG 313.A N ARG 310.A O no hydrogen 2.892 N/A ARG 313.A NH2 GLN 229.A OE1 no hydrogen 2.674 N/A ALA 314.A N SER 311.A O no hydrogen 2.919 N/A