Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ku6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 6.A SG GLN 4.A OE1 no hydrogen 3.706 N/A ASN 12.A N ASN 320.A OD1 no hydrogen 3.093 N/A ASN 12.A ND2 HIS 10.A NE2 no hydrogen 3.459 N/A ASN 12.A ND2 THR 29.A O no hydrogen 2.979 N/A SER 14.A N ASN 12.A OD1 no hydrogen 2.915 N/A SER 14.A OG VAL 28.A O no hydrogen 2.825 N/A GLU 16.A N SER 14.A OG no hydrogen 3.201 N/A LYS 17.A NZ ASN 25.A OD1 no hydrogen 3.468 N/A LYS 17.A NZ THR 27.A OG1 no hydrogen 3.200 N/A VAL 18.A N VAL 26.A O no hydrogen 2.865 N/A THR 20.A N GLU 23.A O no hydrogen 2.722 N/A THR 20.A OG1 GLU 23.A O no hydrogen 2.986 N/A GLU 23.A N THR 20.A OG1 no hydrogen 2.939 N/A ASN 25.A N ASP 19.A OD1 no hydrogen 2.923 N/A VAL 26.A N VAL 18.A O no hydrogen 2.922 N/A VAL 28.A N GLU 16.A O no hydrogen 3.077 N/A THR 29.A N LEU 318.A O no hydrogen 2.809 N/A THR 29.A OG1 HIS 30.A ND1 no hydrogen 2.886 N/A HIS 30.A ND1 THR 29.A OG1 no hydrogen 2.886 N/A LYS 32.A N LEU 314.A O no hydrogen 2.764 N/A ILE 34.A N LEU 312.A O no hydrogen 2.981 N/A LEU 35.A N ASP 33.A OD1 no hydrogen 3.083 N/A GLU 36.A N PHE 292.A O no hydrogen 2.844 N/A LYS 37.A NZ ASP 33.A OD2 no hydrogen 2.985 N/A LYS 37.A NZ LEU 35.A O no hydrogen 2.717 N/A THR 38.A N GLU 36.A OE2 no hydrogen 2.964 N/A THR 38.A OG1 GLU 36.A OE2 no hydrogen 2.620 N/A ASN 40.A N ALA 285.A O no hydrogen 2.921 N/A GLY 41.A N HIS 39.A ND1 no hydrogen 3.028 N/A LYS 42.A N ASN 40.A OD1 no hydrogen 2.931 N/A CYS 44.A N GLN 280.A OE1 no hydrogen 2.929 N/A CYS 44.A SG LYS 42.A O no hydrogen 3.880 N/A LYS 45.A N CYS 275.A O no hydrogen 2.938 N/A LYS 45.A NZ ASN 274.A OD1 no hydrogen 3.220 N/A LYS 45.A NZ CYS 275.A O no hydrogen 3.510 N/A ASN 47.A N THR 277.A O no hydrogen 2.870 N/A GLY 48.A N GLU 276.A OE1 no hydrogen 2.705 N/A ILE 49.A N LEU 46A.A O no hydrogen 3.113 N/A LEU 52.A N TYR 80.A O no hydrogen 2.830 N/A LEU 54.A N MET 82.A O no hydrogen 3.162 N/A CYS 57.A N LEU 54.A O no hydrogen 3.042 N/A CYS 57.A SG GLU 68.A O no hydrogen 3.968 N/A SER 58.A N ASP 89.A O no hydrogen 3.009 N/A ILE 59.A N GLU 83.A OE2 no hydrogen 2.974 N/A ALA 60.A N TYR 100.A OH no hydrogen 2.998 N/A GLY 61.A N SER 58.A OG no hydrogen 2.941 N/A TRP 62.A N SER 58.A O no hydrogen 2.892 N/A LEU 63.A N ILE 59.A O no hydrogen 2.972 N/A LEU 64.A N ALA 60.A O no hydrogen 2.908 N/A GLY 65.A N GLY 61.A O no hydrogen 2.990 N/A ASN 66.A N GLY 61.A O no hydrogen 2.839 N/A ASN 66.A ND2 GLY 90A.A O no hydrogen 2.932 N/A GLU 68.A N ASN 66.A OD1 no hydrogen 2.823 N/A CYS 69.A N ASN 66.A O no hydrogen 2.834 N/A CYS 69.A SG ASP 89.A O no hydrogen 4.001 N/A ARG 71.A NH1 GLU 68.A O no hydrogen 3.003 N/A LEU 72.A N CYS 69.A O no hydrogen 2.840 N/A LEU 73.A N ASP 70.A O no hydrogen 3.145 N/A TRP 78.A N LYS 111.A O no hydrogen 2.938 N/A SER 79.A N PRO 50.A O no hydrogen 3.211 N/A SER 79.A OG ILE 49.A O no hydrogen 2.684 N/A TYR 80.A OH CYS 44.A O no hydrogen 2.681 N/A ILE 81.A N GLY 264.A O no hydrogen 2.790 N/A MET 82.A N LEU 52.A O no hydrogen 2.861 N/A GLU 83.A N MET 266.A O no hydrogen 2.960 N/A LYS 84.A NZ ASP 56.A OD1 no hydrogen 2.912 N/A GLU 85.A N GLU 269.A OE2 no hydrogen 2.821 N/A ASP 89.A N ASP 56.A O no hydrogen 2.892 N/A SER 96.A N MET 227.A O no hydrogen 3.015 N/A ASN 98.A N PHE 229.A O no hydrogen 2.759 N/A ASN 98.A ND2 GLU 228.A OE2 no hydrogen 2.807 N/A ASN 98.A ND2 SER 230.A OG no hydrogen 2.933 N/A LEU 103.A N ASP 99.A O no hydrogen 3.074 N/A LYS 104.A N TYR 100.A O no hydrogen 2.949 N/A LYS 104.A NZ GLU 83.A OE1 no hydrogen 2.897 N/A HIS 105.A N GLU 101.A O no hydrogen 2.958 N/A LEU 106.A N GLU 102.A O no hydrogen 3.008 N/A LEU 107.A N LEU 103.A O no hydrogen 3.149 N/A SER 108.A N HIS 105.A O no hydrogen 3.023 N/A SER 109.A N LEU 106.A O no hydrogen 2.980 N/A SER 109.A OG LEU 106.A O no hydrogen 3.192 N/A VAL 110.A N LEU 107.A O no hydrogen 3.136 N/A LYS 111.A N LYS 259.A O no hydrogen 2.782 N/A LYS 115.A NZ LEU 73.A O no hydrogen 3.212 N/A LYS 115.A NZ ASN 147.A OD1 no hydrogen 2.811 N/A VAL 116.A N GLY 254.A O no hydrogen 2.821 N/A LEU 119.A N GLU 252.A O no hydrogen 3.049 N/A LYS 121.A N GLU 252.A OE2 no hydrogen 2.825 N/A ARG 123.A N PRO 120.A O no hydrogen 3.177 N/A TRP 124.A N LYS 121.A O no hydrogen 3.174 N/A HIS 127.A NE2 PRO 159.A O no hydrogen 2.736 N/A THR 128.A N THR 152.A O no hydrogen 2.920 N/A THR 128.A OG1 GLU 153.A O no hydrogen 2.604 N/A SER 133.A N SER 143.A O no hydrogen 2.738 N/A ALA 135.A N SER 133.A OG no hydrogen 3.086 N/A CYS 136.A N SER 133.A O no hydrogen 3.017 N/A VAL 138.A N ASN 141.A O no hydrogen 2.897 N/A ASN 141.A N VAL 138.A O no hydrogen 3.100 N/A SER 143.A N SER 133.A O no hydrogen 3.185 N/A ARG 146.A N GLY 65.A O no hydrogen 2.721 N/A ARG 146.A NE ASP 70.A OD1 no hydrogen 2.954 N/A ARG 146.A NE ASP 70.A OD2 no hydrogen 3.382 N/A ARG 146.A NH2 ASP 70.A OD2 no hydrogen 2.911 N/A ASN 147.A N LEU 64.A O no hydrogen 3.020 N/A ASN 147.A ND2 LEU 63.A O no hydrogen 2.882 N/A MET 148.A N PHE 145.A O no hydrogen 3.329 N/A VAL 149.A N ALA 250.A O no hydrogen 2.668 N/A TRP 150.A NE1 TYR 192.A OH no hydrogen 2.861 N/A THR 152.A N THR 128.A O no hydrogen 2.961 N/A GLU 153.A N LEU 191.A O no hydrogen 2.702 N/A LYS 154.A N ASN 157.A O no hydrogen 2.810 N/A LYS 154.A NZ THR 125.A O no hydrogen 2.972 N/A SER 156.A N GLU 153.A OE2 no hydrogen 2.664 N/A SER 156.A OG GLN 193.A OE1 no hydrogen 3.050 N/A ASN 157.A N LYS 154.A O no hydrogen 3.015 N/A ALA 161.A N SER 244.A O no hydrogen 2.606 N/A GLY 163.A N PHE 242.A O no hydrogen 3.064 N/A TYR 165.A N ILE 240.A O no hydrogen 2.971 N/A ASN 167.A N ASP 238.A O no hydrogen 2.840 N/A ASN 167.A ND2 GLU 171.A O no hydrogen 2.801 N/A ASN 167.A ND2 LEU 234.A O no hydrogen 2.977 N/A SER 169.A N ASN 167.A OD1 no hydrogen 2.978 N/A SER 169.A OG ASN 167.A OD1 no hydrogen 2.699 N/A GLN 172.A N GLU 171.A OE1 no hydrogen 2.860 N/A GLN 172.A NE2 ASP 235.A OD1 no hydrogen 2.856 N/A MET 173.A N LEU 234.A O no hydrogen 3.016 N/A LEU 174.A N PHE 255.A O no hydrogen 2.827 N/A ILE 175.A N THR 232.A O no hydrogen 2.983 N/A TRP 177.A N SER 230.A O no hydrogen 3.003 N/A GLY 178.A N ILE 249.A O no hydrogen 2.852 N/A VAL 179.A N GLU 228.A O no hydrogen 3.003 N/A HIS 180.A N ASN 247.A O no hydrogen 2.857 N/A HIS 180.A ND1 TYR 192.A OH no hydrogen 2.634 N/A HIS 180.A NE2 TYR 93.A OH no hydrogen 2.930 N/A HIS 181.A N ARG 226.A O no hydrogen 2.736 N/A HIS 181.A NE2 GLU 228.A OE1 no hydrogen 2.895 N/A ASN 183.A N GLU 187.A OE1 no hydrogen 2.489 N/A ASN 183.A ND2 ASP 184.A OD2 no hydrogen 3.013 N/A ASP 184.A N GLU 187.A OE1 no hydrogen 3.412 N/A THR 186.A OG1 ASP 184.A OD1 no hydrogen 2.667 N/A GLU 187.A N ASP 184.A OD1 no hydrogen 2.910 N/A GLN 188.A N ASP 184.A O no hydrogen 3.283 N/A GLN 188.A NE2 ASN 194.A O no hydrogen 3.113 N/A GLN 188.A NE2 ASN 247.A OD1 no hydrogen 3.048 N/A ARG 189.A N GLU 185.A O no hydrogen 2.952 N/A THR 190.A N THR 186.A O no hydrogen 2.875 N/A THR 190.A OG1 THR 186.A O no hydrogen 2.986 N/A THR 190.A OG1 GLU 187.A O no hydrogen 2.843 N/A LEU 191.A N GLU 187.A O no hydrogen 2.979 N/A TYR 192.A N GLN 188.A O no hydrogen 2.801 N/A TYR 192.A OH HIS 180.A ND1 no hydrogen 2.634 N/A GLN 193.A N ARG 189.A O no hydrogen 2.889 N/A GLN 193.A NE2 THR 190.A O no hydrogen 3.579 N/A ASN 194.A N TYR 192.A O no hydrogen 2.351 N/A ASN 194.A ND2 TYR 158.A O no hydrogen 2.901 N/A ASN 194.A ND2 THR 245.A O no hydrogen 2.873 N/A THR 197.A OG1 ASN 247.A OD1 no hydrogen 2.769 N/A TYR 198.A N THR 245.A OG1 no hydrogen 3.341 N/A VAL 199.A N SER 210.A O no hydrogen 2.772 N/A SER 200.A N GLU 243.A O no hydrogen 2.804 N/A VAL 201.A N LYS 208.A O no hydrogen 3.296 N/A GLY 202.A N ASN 241.A O no hydrogen 3.043 N/A THR 203.A N LEU 206.A O no hydrogen 2.898 N/A SER 204.A N ASP 238.A OD2 no hydrogen 3.059 N/A SER 204.A OG.A ASP 238.A OD1 no hydrogen 2.634 N/A SER 204.A OG.B ASP 238.A OD2 no hydrogen 2.709 N/A THR 205.A N THR 203.A OG1 no hydrogen 3.134 N/A LEU 206.A N THR 203.A OG1 no hydrogen 2.916 N/A LYS 208.A N VAL 201.A O no hydrogen 3.069 N/A LYS 208.A NZ SER 230.A OG no hydrogen 2.673 N/A SER 210.A N VAL 199.A O no hydrogen 2.925 N/A GLU 213.A N HIS 181.A ND1 no hydrogen 2.961 N/A ALA 215.A N PRO 182.A O no hydrogen 3.141 N/A ARG 217.A NH1 HIS 181.A O no hydrogen 3.159 N/A ARG 217.A NH1 PRO 182.A O no hydrogen 3.115 N/A ARG 217.A NH1 GLY 224.A O no hydrogen 2.924 N/A ARG 217.A NH2 PRO 182.A O no hydrogen 3.387 N/A ARG 217.A NH2 GLU 213.A O no hydrogen 2.872 N/A LYS 219.A NZ GLY 222.A O no hydrogen 3.497 N/A VAL 220.A N LEU 223.A O no hydrogen 2.912 N/A ASN 221.A ND2 CYS 92.A O no hydrogen 2.862 N/A LEU 223.A N VAL 220.A O no hydrogen 2.907 N/A ARG 226.A N HIS 181.A O no hydrogen 2.961 N/A ARG 226.A NH1 PRO 218.A O no hydrogen 3.545 N/A ARG 226.A NH1 LEU 223.A O no hydrogen 2.938 N/A ARG 226.A NH1 GLY 225.A O no hydrogen 2.945 N/A ARG 226.A NH2 PRO 218.A O no hydrogen 2.813 N/A MET 227.A N PRO 94.A O no hydrogen 2.890 N/A GLU 228.A N VAL 179.A O no hydrogen 2.979 N/A PHE 229.A N SER 96.A O no hydrogen 2.859 N/A SER 230.A N TRP 177.A O no hydrogen 2.859 N/A TRP 231.A NE1 ASP 99.A O no hydrogen 2.910 N/A THR 232.A N ILE 175.A O no hydrogen 2.952 N/A LEU 234.A N MET 173.A O no hydrogen 2.674 N/A TRP 237.A N ASN 167.A O no hydrogen 2.747 N/A ASP 238.A N ASP 235.A O no hydrogen 3.035 N/A ILE 240.A N TYR 165.A O no hydrogen 2.948 N/A ASN 241.A N GLY 202.A O no hydrogen 2.816 N/A PHE 242.A N GLY 163.A O no hydrogen 2.747 N/A GLU 243.A N SER 200.A O no hydrogen 2.931 N/A SER 244.A N ALA 161.A O no hydrogen 2.819 N/A SER 244.A OG TYR 198.A O no hydrogen 2.843 N/A THR 245.A N TYR 198.A O no hydrogen 3.388 N/A GLY 246.A N SER 244.A OG no hydrogen 2.991 N/A ASN 247.A ND2 HIS 180.A O no hydrogen 2.932 N/A ASN 247.A ND2 GLN 188.A OE1 no hydrogen 2.905 N/A ILE 249.A N GLY 178.A O no hydrogen 2.889 N/A ALA 250.A N VAL 149.A O no hydrogen 2.887 N/A GLU 252.A N ASN 147.A O no hydrogen 2.842 N/A GLY 254.A N VAL 116.A O no hydrogen 2.882 N/A PHE 255.A N LEU 174.A O no hydrogen 2.783 N/A LYS 256.A N GLU 114C.A O no hydrogen 2.860 N/A LYS 256.A NZ SER 169.A O no hydrogen 2.977 N/A ILE 257.A N GLN 172.A O no hydrogen 2.980 N/A SER 258.A N HIS 112A.A O no hydrogen 2.888 N/A SER 258.A OG HIS 112A.A ND1 no hydrogen 2.885 N/A LYS 259.A N HIS 112A.A O no hydrogen 3.290 N/A ARG 260.A NE GLU 171.A OE2 no hydrogen 2.901 N/A ARG 260.A NH2 GLU 171.A OE1 no hydrogen 2.987 N/A ARG 260.A NH2 GLN 172.A OE1 no hydrogen 2.782 N/A SER 263.A N SER 108.A O no hydrogen 2.832 N/A SER 263.A OG SER 79.A O no hydrogen 3.162 N/A MET 266.A N ILE 81.A O no hydrogen 2.710 N/A LYS 267.A NZ GLU 83.A OE1 no hydrogen 2.945 N/A LYS 267.A NZ LYS 84.A O no hydrogen 2.741 N/A LYS 267.A NZ GLU 85.A O no hydrogen 3.549 N/A THR 268.A N GLU 83.A O no hydrogen 3.022 N/A GLY 270.A N THR 268.A OG1 no hydrogen 2.939 N/A THR 271.A OG1 GLU 53.A OE1 no hydrogen 3.315 N/A THR 271.A OG1 GLU 53.A OE2 no hydrogen 2.649 N/A LEU 272.A N GLU 53.A OE1 no hydrogen 2.894 N/A GLU 273.A N LEU 43.A O no hydrogen 2.935 N/A CYS 275.A N GLU 273.A O no hydrogen 2.966 N/A CYS 275.A SG LEU 43.A O no hydrogen 3.434 N/A CYS 275.A SG GLU 273.A O no hydrogen 3.791 N/A THR 277.A N LYS 45.A O no hydrogen 2.965 N/A THR 277.A OG1 CYS 279.A O no hydrogen 2.961 N/A CYS 279.A N THR 277.A OG1 no hydrogen 3.142 N/A GLN 280.A N ILE 300.A O no hydrogen 2.833 N/A GLN 280.A NE2 LYS 42.A O no hydrogen 2.894 N/A GLN 280.A NE2 THR 281.A O no hydrogen 2.962 N/A THR 281.A N GLY 284.A O no hydrogen 3.010 N/A THR 281.A OG1 GLY 284.A O no hydrogen 2.722 N/A LEU 283.A N THR 281.A OG1 no hydrogen 3.095 N/A GLY 284.A N THR 281.A O no hydrogen 3.093 N/A GLY 284.A N THR 281.A OG1 no hydrogen 3.210 N/A ALA 285.A N ASN 40.A OD1 no hydrogen 2.948 N/A ILE 286.A N CYS 279.A O no hydrogen 2.939 N/A THR 288.A OG1 GLU 36.A OE1 no hydrogen 2.744 N/A LEU 290.A N THR 288.A OG1 no hydrogen 3.045 N/A PHE 292.A N ILE 34.A O no hydrogen 3.301 N/A HIS 293.A N LYS 305.A O no hydrogen 2.871 N/A ASN 294.A N GLU 36.A O no hydrogen 3.164 N/A ASN 294.A ND2 SER 309.A O no hydrogen 2.749 N/A VAL 295.A N HIS 293.A ND1 no hydrogen 3.046 N/A LEU 298.A N HIS 296.A ND1 no hydrogen 2.898 N/A ILE 300.A N GLN 280.A O no hydrogen 2.884 N/A GLU 302.A N LYS 278.A O no hydrogen 2.803 N/A CYS 303.A SG THR 299.A OG1 no hydrogen 3.494 N/A CYS 303.A SG ILE 300.A O no hydrogen 3.754 N/A LYS 305.A N PRO 291.A O no hydrogen 2.900 N/A VAL 307.A N HIS 293.A O no hydrogen 2.909 N/A LYS 311.A NZ ASP 19.A OD2 no hydrogen 3.139 N/A LEU 314.A N LYS 32.A O no hydrogen 2.879 N/A THR 316.A N HIS 30.A O no hydrogen 3.151 N/A GLY 317.A N HIS 30.A O no hydrogen 2.900 N/A LEU 318.A N THR 29.A OG1 no hydrogen 3.142 N/A ARG 319.A NH1 GLU 23.A OE1 no hydrogen 3.066 N/A ARG 319.A NH1 GLU 23.A OE2 no hydrogen 3.535 N/A ARG 319.A NH2 GLU 23.A OE1 no hydrogen 3.544 N/A ASN 320.A N THR 27.A O no hydrogen 2.830 N/A ASN 320.A ND2 ASN 12.A O no hydrogen 2.988 N/A ASN 320.A ND2 SER 14.A O no hydrogen 3.071 N/A LEU 46A.A N ILE 49.A O no hydrogen 2.955 N/A HIS 112A.A N LYS 259.A O no hydrogen 3.314 N/A HIS 112A.A NE2 VAL 75A.A O no hydrogen 3.045 N/A GLY 261A.A N SER 109.A O no hydrogen 2.933 N/A GLU 114C.A N LYS 256.A O no hydrogen 2.831 N/A