Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kdo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A SG GLN 3.A OE1 no hydrogen 3.970 N/A ASN 11.A N ASN 320.A OD1 no hydrogen 2.810 N/A ASN 11.A ND2 THR 28.A O no hydrogen 3.422 N/A SER 13.A N ASN 11.A OD1 no hydrogen 3.394 N/A SER 13.A OG VAL 27.A O no hydrogen 2.844 N/A SER 13.A OG THR 28.A O no hydrogen 3.504 N/A VAL 17.A N VAL 25.A O no hydrogen 3.271 N/A THR 19.A N GLU 22.A O no hydrogen 2.861 N/A GLU 22.A N THR 19.A O no hydrogen 3.365 N/A VAL 25.A N VAL 17.A O no hydrogen 2.999 N/A VAL 27.A N GLU 15.A O no hydrogen 2.909 N/A GLN 31.A N LEU 314.A O no hydrogen 2.927 N/A ILE 33.A N LEU 312.A O no hydrogen 2.737 N/A LEU 34.A N ASP 32.A OD1 no hydrogen 3.141 N/A GLU 35.A N PHE 292.A O no hydrogen 2.724 N/A LYS 36.A NZ ASN 310.A O no hydrogen 2.160 N/A LYS 37.A N GLU 35.A OE2 no hydrogen 2.806 N/A ASN 39.A N ALA 285.A O no hydrogen 3.176 N/A GLY 40.A N HIS 38.A ND1 no hydrogen 3.080 N/A LYS 41.A N ASN 39.A OD1 no hydrogen 2.769 N/A LEU 42.A N GLU 271.A O no hydrogen 3.375 N/A CYS 43.A N GLN 280.A OE1 no hydrogen 3.068 N/A CYS 43.A SG LYS 41.A O no hydrogen 3.523 N/A CYS 43.A SG GLN 280.A OE1 no hydrogen 3.591 N/A ASP 44.A N CYS 275.A O no hydrogen 3.093 N/A LEU 45.A N VAL 48.A O no hydrogen 2.792 N/A ASP 46.A N THR 277.A O no hydrogen 2.762 N/A GLY 47.A N ASN 276.A OD1 no hydrogen 3.087 N/A VAL 48.A N LEU 45.A O no hydrogen 3.091 N/A LEU 51.A N TYR 79.A O no hydrogen 2.882 N/A LEU 53.A N VAL 81.A O no hydrogen 2.958 N/A CYS 56.A SG SER 57.A O no hydrogen 4.031 N/A CYS 56.A SG ASN 88.A O no hydrogen 3.753 N/A SER 57.A N ASN 88.A O no hydrogen 3.004 N/A SER 57.A OG ASN 88.A O no hydrogen 3.523 N/A SER 57.A OG ASP 89.A OD1 no hydrogen 2.500 N/A VAL 58.A N GLU 82.A OE2 no hydrogen 3.062 N/A ALA 59.A N TYR 99.A OH no hydrogen 2.998 N/A GLY 60.A N SER 57.A OG no hydrogen 3.020 N/A TRP 61.A N SER 57.A O no hydrogen 2.879 N/A LEU 62.A N VAL 58.A O no hydrogen 2.862 N/A LEU 63.A N ALA 59.A O no hydrogen 2.965 N/A ASN 65.A N GLY 60.A O no hydrogen 2.922 N/A ASN 65.A ND2 ASP 89.A O no hydrogen 2.821 N/A MET 67.A N ASN 65.A OD1 no hydrogen 3.006 N/A CYS 68.A N ASN 65.A O no hydrogen 2.870 N/A CYS 68.A SG ASN 88.A O no hydrogen 3.974 N/A ASN 73.A ND2 PHE 112.A O no hydrogen 3.685 N/A TRP 77.A N ILE 109.A O no hydrogen 3.065 N/A TRP 77.A NE1 LEU 106.A O no hydrogen 2.756 N/A SER 78.A OG VAL 48.A O no hydrogen 2.801 N/A TYR 79.A OH CYS 43.A O no hydrogen 2.798 N/A VAL 81.A N LEU 51.A O no hydrogen 2.846 N/A GLU 82.A N MET 266.A O no hydrogen 2.910 N/A ALA 84.A N GLU 269.A OE2 no hydrogen 3.080 N/A ASN 88.A N ASP 55.A O no hydrogen 2.771 N/A TYR 92.A OH HIS 180.A NE2 no hydrogen 3.090 N/A ASP 95.A N MET 227.A O no hydrogen 2.904 N/A ASN 97.A N PHE 229.A O no hydrogen 2.786 N/A LEU 102.A N ASP 98.A O no hydrogen 3.175 N/A LYS 103.A N TYR 99.A O no hydrogen 2.886 N/A LYS 103.A NZ GLU 82.A OE1 no hydrogen 3.491 N/A HIS 104.A N GLU 100.A O no hydrogen 2.906 N/A LEU 105.A N GLU 101.A O no hydrogen 2.958 N/A LEU 106.A N LEU 102.A O no hydrogen 2.911 N/A SER 107.A N HIS 104.A O no hydrogen 3.168 N/A SER 107.A OG HIS 104.A O no hydrogen 2.768 N/A ARG 108.A NH1 ASP 262.A O no hydrogen 3.145 N/A ILE 109.A N TRP 77.A O no hydrogen 3.227 N/A ASN 110.A N VAL 258.A O no hydrogen 2.753 N/A HIS 111.A N VAL 258.A O no hydrogen 3.123 N/A PHE 112.A N PRO 75.A O no hydrogen 2.863 N/A GLU 113.A N LYS 256.A O no hydrogen 3.036 N/A LYS 114.A NZ ASN 147.A OD1 no hydrogen 3.494 N/A ILE 115.A N ALA 254.A O no hydrogen 2.918 N/A ILE 117.A N GLU 252.A O no hydrogen 2.773 N/A ILE 118.A N GLU 252.A O no hydrogen 3.073 N/A SER 122.A N PRO 119.A O no hydrogen 2.969 N/A SER 122.A OG PRO 119.A O no hydrogen 2.334 N/A TRP 123.A N LYS 120.A O no hydrogen 3.272 N/A HIS 126.A NE2 PRO 159.A O no hydrogen 2.625 N/A GLU 127.A N ILE 152.A O no hydrogen 2.859 N/A SER 129.A N GLU 127.A OE1 no hydrogen 3.123 N/A SER 133.A N SER 143.A O no hydrogen 2.775 N/A ALA 135.A N SER 133.A OG no hydrogen 3.197 N/A CYS 136.A N SER 133.A O no hydrogen 2.942 N/A TYR 138.A N LYS 141.A O no hydrogen 2.808 N/A SER 143.A N CYS 136.A O no hydrogen 2.844 N/A ARG 146.A N GLY 64.A O no hydrogen 2.703 N/A ARG 146.A NH1 TYR 138.A OH no hydrogen 3.444 N/A ARG 146.A NH2 TYR 138.A OH no hydrogen 3.518 N/A ASN 147.A ND2 LEU 62.A O no hydrogen 2.680 N/A VAL 149.A N ALA 250.A O no hydrogen 2.803 N/A TRP 150.A NE1 TYR 192.A OH no hydrogen 2.874 N/A ILE 152.A N GLU 127.A O no hydrogen 2.917 N/A LYS 153.A N LEU 191.A O no hydrogen 2.847 N/A LYS 153.A NZ THR 189.A O no hydrogen 2.960 N/A LYS 154.A N THR 157.A O no hydrogen 3.037 N/A LYS 154.A NZ SER 124.A O no hydrogen 2.807 N/A THR 157.A N LYS 154.A O no hydrogen 3.193 N/A THR 157.A OG1 LYS 154.A O no hydrogen 3.178 N/A ILE 161.A N SER 244.A O no hydrogen 2.912 N/A ARG 163.A N PHE 242.A O no hydrogen 2.888 N/A ARG 163.A NH2 SER 122.A O no hydrogen 3.043 N/A ARG 163.A NH2 SER 122.A OG no hydrogen 2.916 N/A TYR 165.A N ILE 240.A O no hydrogen 2.925 N/A ASN 167.A N ASP 238.A O no hydrogen 2.847 N/A ASN 167.A ND2 GLU 171.A O no hydrogen 2.842 N/A ASN 167.A ND2 LEU 234.A O no hydrogen 3.143 N/A ASN 169.A N ASN 167.A OD1 no hydrogen 2.931 N/A ASN 169.A ND2 TYR 165.A OH no hydrogen 3.009 N/A ASN 169.A ND2 ASN 167.A OD1 no hydrogen 2.956 N/A LEU 173.A N LEU 234.A O no hydrogen 2.887 N/A LEU 174.A N TYR 255.A O no hydrogen 2.770 N/A VAL 175.A N THR 232.A O no hydrogen 2.954 N/A TRP 177.A N PHE 230.A O no hydrogen 3.027 N/A TRP 177.A NE1 GLN 208.A OE1 no hydrogen 2.803 N/A GLY 178.A N ILE 249.A O no hydrogen 2.838 N/A ILE 179.A N GLU 228.A O no hydrogen 2.889 N/A HIS 180.A N ASN 247.A O no hydrogen 2.988 N/A HIS 180.A NE2 TYR 92.A OH no hydrogen 3.090 N/A HIS 181.A N ARG 226.A O no hydrogen 2.785 N/A HIS 181.A NE2 GLU 228.A OE1 no hydrogen 2.827 N/A ASN 183.A N GLU 187.A OE1 no hydrogen 3.166 N/A GLU 187.A N ASP 184.A OD2 no hydrogen 3.084 N/A GLN 188.A N ASP 184.A O no hydrogen 3.109 N/A GLN 188.A NE2 ASN 194.A O no hydrogen 3.060 N/A GLN 188.A NE2 ASN 247.A OD1 no hydrogen 2.918 N/A THR 189.A N ALA 185.A O no hydrogen 2.939 N/A THR 189.A OG1 ALA 185.A O no hydrogen 2.859 N/A LYS 190.A N ALA 186.A O no hydrogen 2.804 N/A LEU 191.A N GLU 187.A O no hydrogen 2.915 N/A TYR 192.A N GLN 188.A O no hydrogen 3.128 N/A TYR 192.A OH HIS 180.A ND1 no hydrogen 2.767 N/A ASN 194.A ND2 TYR 158.A O no hydrogen 3.495 N/A ASN 194.A ND2 ASN 245.A OD1 no hydrogen 2.874 N/A TYR 198.A OH GLU 243.A OE1 no hydrogen 2.499 N/A ILE 199.A N LEU 210.A O no hydrogen 2.904 N/A SER 200.A N GLU 243.A O no hydrogen 2.847 N/A VAL 201.A N GLN 208.A O no hydrogen 2.881 N/A GLY 202.A N ASN 241.A O no hydrogen 2.959 N/A THR 203.A N LEU 206.A O no hydrogen 3.036 N/A SER 204.A N ASP 238.A OD2 no hydrogen 2.820 N/A SER 204.A OG ASP 238.A OD2 no hydrogen 2.798 N/A GLN 208.A N VAL 201.A O no hydrogen 2.861 N/A LEU 210.A N ILE 199.A O no hydrogen 2.818 N/A ARG 213.A N HIS 181.A ND1 no hydrogen 2.920 N/A ARG 213.A NH2 GLU 228.A OE1 no hydrogen 3.168 N/A ARG 217.A NH1 PRO 182.A O no hydrogen 3.100 N/A ARG 217.A NH1 SER 224.A O no hydrogen 2.838 N/A ARG 217.A NH2 PRO 182.A O no hydrogen 3.072 N/A VAL 220.A N LEU 223.A O no hydrogen 2.798 N/A LEU 223.A N VAL 220.A O no hydrogen 2.817 N/A SER 224.A OG ARG 217.A O no hydrogen 2.804 N/A ARG 226.A N HIS 181.A O no hydrogen 2.922 N/A ARG 226.A NH1 LEU 223.A O no hydrogen 3.158 N/A ARG 226.A NH1 GLY 225.A O no hydrogen 2.803 N/A ARG 226.A NH2 SER 218.A O no hydrogen 2.761 N/A MET 227.A N PRO 93.A O no hydrogen 2.949 N/A GLU 228.A N ILE 179.A O no hydrogen 2.902 N/A PHE 229.A N ASP 95.A O no hydrogen 2.864 N/A PHE 230.A N TRP 177.A O no hydrogen 2.884 N/A TRP 231.A NE1 ASN 97.A O no hydrogen 3.031 N/A THR 232.A N VAL 175.A O no hydrogen 3.007 N/A LEU 234.A N LEU 173.A O no hydrogen 2.701 N/A LYS 235.A NZ ASP 172.A OD2 no hydrogen 3.295 N/A ASN 237.A N ASN 167.A O no hydrogen 2.794 N/A ASP 238.A N LYS 235.A O no hydrogen 2.914 N/A ALA 239.A N ASP 238.A OD1 no hydrogen 2.659 N/A ILE 240.A N TYR 165.A O no hydrogen 2.944 N/A ASN 241.A N GLY 202.A O no hydrogen 2.884 N/A ASN 241.A ND2 GLY 202.A O no hydrogen 3.389 N/A PHE 242.A N ARG 163.A O no hydrogen 2.841 N/A GLU 243.A N SER 200.A O no hydrogen 2.894 N/A SER 244.A N ILE 161.A O no hydrogen 2.881 N/A SER 244.A OG TYR 198.A O no hydrogen 2.972 N/A ASN 245.A N TYR 198.A O no hydrogen 3.130 N/A ASN 245.A ND2 THR 196.A O no hydrogen 2.953 N/A GLY 246.A N SER 244.A OG no hydrogen 3.144 N/A ASN 247.A ND2 HIS 180.A O no hydrogen 2.886 N/A ASN 247.A ND2 GLN 188.A OE1 no hydrogen 2.923 N/A ILE 249.A N GLY 178.A O no hydrogen 2.723 N/A ALA 250.A N VAL 149.A O no hydrogen 2.862 N/A GLU 252.A N ASN 147.A O no hydrogen 3.041 N/A TYR 253.A N ASN 147.A O no hydrogen 2.987 N/A ALA 254.A N ILE 115.A O no hydrogen 2.917 N/A TYR 255.A N LEU 174.A O no hydrogen 3.083 N/A TYR 255.A OH LEU 62.A O no hydrogen 2.696 N/A LYS 256.A N GLU 113.A O no hydrogen 2.863 N/A LYS 256.A NZ GLU 113.A OE1 no hydrogen 2.916 N/A ILE 257.A N ASP 172.A O no hydrogen 2.882 N/A VAL 258.A N HIS 111.A O no hydrogen 2.841 N/A LYS 259.A NZ LEU 105.A O no hydrogen 2.585 N/A LYS 259.A NZ ARG 108.A O no hydrogen 2.878 N/A LYS 259.A NZ GLY 261.A O no hydrogen 2.878 N/A LYS 259.A NZ ASP 262.A OD1 no hydrogen 3.116 N/A SER 263.A N SER 107.A OG no hydrogen 3.129 N/A SER 263.A OG SER 78.A O no hydrogen 2.695 N/A MET 266.A N ILE 80.A O no hydrogen 2.671 N/A LYS 267.A NZ GLU 82.A OE1 no hydrogen 2.645 N/A LYS 267.A NZ LYS 83.A O no hydrogen 2.889 N/A LYS 267.A NZ ALA 84.A O no hydrogen 3.248 N/A SER 268.A N GLU 82.A O no hydrogen 2.964 N/A SER 268.A OG PRO 282.A O no hydrogen 3.140 N/A LEU 270.A N SER 268.A OG no hydrogen 3.065 N/A TYR 272.A OH ASP 44.A OD1 no hydrogen 2.608 N/A GLY 273.A N LEU 42.A O no hydrogen 2.834 N/A THR 277.A N ASN 276.A OD1 no hydrogen 2.714 N/A GLN 280.A N ILE 300.A O no hydrogen 2.815 N/A GLN 280.A NE2 LYS 41.A O no hydrogen 3.101 N/A GLN 280.A NE2 THR 281.A O no hydrogen 2.683 N/A THR 281.A N GLY 284.A O no hydrogen 3.077 N/A GLY 284.A N THR 281.A O no hydrogen 3.178 N/A ALA 285.A N ASN 39.A OD1 no hydrogen 3.065 N/A ILE 286.A N CYS 279.A O no hydrogen 2.884 N/A HIS 293.A N LYS 305.A O no hydrogen 2.933 N/A ASN 294.A N GLU 35.A O no hydrogen 3.333 N/A ASN 294.A ND2 SER 309.A O no hydrogen 2.938 N/A ILE 295.A N HIS 293.A ND1 no hydrogen 3.165 N/A LEU 298.A N HIS 296.A ND1 no hydrogen 2.928 N/A THR 299.A N PRO 297.A O no hydrogen 3.166 N/A ILE 300.A N GLN 280.A O no hydrogen 2.964 N/A GLU 302.A N LYS 278.A O no hydrogen 2.644 N/A CYS 303.A SG ILE 300.A O no hydrogen 3.824 N/A LYS 305.A N PRO 291.A O no hydrogen 2.942 N/A VAL 307.A N HIS 293.A O no hydrogen 2.994 N/A ARG 311.A N SER 309.A OG no hydrogen 3.159 N/A ARG 311.A NH1 GLN 16.A O no hydrogen 3.506 N/A ARG 311.A NH2 GLN 16.A O no hydrogen 2.923 N/A LEU 312.A N ASP 32.A OD1 no hydrogen 2.948 N/A LEU 314.A N GLN 31.A O no hydrogen 2.873 N/A ILE 316.A N HIS 29.A O no hydrogen 3.080 N/A GLY 317.A N HIS 29.A O no hydrogen 2.944 N/A ARG 319.A NH2 GLU 22.A OE1 no hydrogen 2.902 N/A ASN 320.A N THR 26.A O no hydrogen 3.115 N/A ASN 320.A ND2 ASN 11.A O no hydrogen 2.646 N/A ASN 320.A ND2 SER 13.A O no hydrogen 3.346 N/A