Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kgg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N ARG 261.A O no hydrogen 3.028 N/A THR 10.A N LYS 293.A O no hydrogen 2.869 N/A LYS 11.A NZ GLU 14.A OE2 no hydrogen 2.939 N/A VAL 12.A N VAL 291.A O no hydrogen 2.737 N/A THR 13.A N VAL 291.A O no hydrogen 3.473 N/A THR 13.A OG1 GLY 55.A O no hydrogen 3.310 N/A ILE 16.A N ASN 289.A O no hydrogen 2.983 N/A GLY 18.A N ASN 289.A OD1 no hydrogen 2.878 N/A ALA 19.A N ILE 16.A O no hydrogen 2.871 N/A GLU 20.A N VAL 33.A O no hydrogen 2.999 N/A GLY 21.A N GLU 20.A OE1 no hydrogen 2.795 N/A VAL 23.A N TYR 31.A O no hydrogen 2.917 N/A ASP 25.A N ASP 29.A O no hydrogen 2.951 N/A LYS 26.A N ASN 82.A OD1 no hydrogen 2.751 N/A LYS 26.A NZ ARG 79.A O no hydrogen 2.918 N/A LYS 26.A NZ CYS 305.A O no hydrogen 3.497 N/A ASN 27.A N ASP 25.A OD1 no hydrogen 2.759 N/A GLY 28.A N ASP 25.A O no hydrogen 3.054 N/A ASP 29.A N ASP 25.A OD1 no hydrogen 2.901 N/A TYR 31.A N VAL 23.A O no hydrogen 2.878 N/A TYR 31.A OH ASP 25.A OD2 no hydrogen 3.127 N/A ILE 32.A N LEU 48.A O no hydrogen 2.985 N/A VAL 33.A N GLU 20.A O no hydrogen 2.838 N/A ALA 34.A N GLU 46.A O no hydrogen 2.886 N/A VAL 39.A N LYS 42.A O no hydrogen 2.935 N/A LYS 42.A N VAL 39.A O no hydrogen 3.162 N/A ALA 44.A N VAL 37.A O no hydrogen 2.885 N/A GLY 45.A N GLY 70.A O no hydrogen 2.961 N/A GLU 46.A N ALA 34.A O no hydrogen 3.040 N/A ILE 47.A N CYS 61.A O no hydrogen 2.848 N/A LEU 48.A N ILE 32.A O no hydrogen 2.870 N/A ARG 49.A N THR 58.A O no hydrogen 2.776 N/A ILE 50.A N PHE 30.A O no hydrogen 2.850 N/A ASP 51.A N LYS 56.A O no hydrogen 2.988 N/A LYS 53.A N ASP 51.A OD1 no hydrogen 2.832 N/A THR 54.A N ASP 51.A OD1 no hydrogen 3.200 N/A GLY 55.A N ASP 51.A O no hydrogen 2.622 N/A LYS 56.A N THR 54.A OG1 no hydrogen 3.245 N/A LYS 57.A NZ GLU 14.A O no hydrogen 2.985 N/A LYS 57.A NZ ASP 15.A O no hydrogen 3.200 N/A THR 58.A N ARG 49.A O no hydrogen 2.979 N/A ILE 60.A N ILE 47.A O no hydrogen 2.970 N/A CYS 61.A N ILE 47.A O no hydrogen 3.424 N/A CYS 61.A SG GLY 100.A O no hydrogen 3.465 N/A LYS 62.A NZ LYS 62.A O no hydrogen 3.432 N/A VAL 65.A N TYR 68.A O no hydrogen 2.969 N/A TYR 68.A N VAL 65.A O no hydrogen 2.989 N/A GLY 70.A N PRO 63.A O no hydrogen 3.090 N/A ILE 71.A N ASP 88.A OD1 no hydrogen 2.910 N/A ALA 73.A N ALA 87.A O no hydrogen 2.764 N/A GLY 74.A N ALA 87.A O no hydrogen 3.353 N/A CYS 75.A SG GLY 21.A O no hydrogen 3.526 N/A GLN 76.A N PHE 85.A O no hydrogen 3.077 N/A CYS 77.A SG ASP 78.A O no hydrogen 3.331 N/A CYS 77.A SG ASN 82.A OD1 no hydrogen 3.770 N/A CYS 77.A SG GLN 83.A O no hydrogen 3.966 N/A ASP 78.A N GLN 83.A O no hydrogen 2.962 N/A ARG 79.A N ASP 78.A OD1 no hydrogen 2.749 N/A ARG 79.A NE ASP 80.A OD1 no hydrogen 2.879 N/A ARG 79.A NH2 ASP 80.A OD1 no hydrogen 3.143 N/A ASN 82.A ND2 ASP 25.A OD2 no hydrogen 3.361 N/A GLN 83.A N ALA 81.A O no hydrogen 3.050 N/A GLN 83.A NE2 ASP 78.A OD2 no hydrogen 2.802 N/A LEU 84.A N VAL 96.A O no hydrogen 2.819 N/A PHE 85.A N GLN 76.A O no hydrogen 2.879 N/A VAL 86.A N LEU 94.A O no hydrogen 2.738 N/A ALA 87.A N GLY 74.A O no hydrogen 2.763 N/A ASP 88.A N GLY 92.A O no hydrogen 2.701 N/A MET 89.A N ILE 71.A O no hydrogen 2.872 N/A ARG 90.A N ASP 88.A OD1 no hydrogen 2.639 N/A ARG 90.A NH1 ALA 141.A O no hydrogen 2.882 N/A ARG 90.A NH2 ALA 141.A O no hydrogen 3.047 N/A LEU 91.A N ASP 88.A OD1 no hydrogen 2.661 N/A GLY 92.A N ASP 88.A O no hydrogen 2.946 N/A LEU 94.A N VAL 86.A O no hydrogen 2.864 N/A VAL 95.A N GLU 103.A O no hydrogen 3.018 N/A VAL 96.A N LEU 84.A O no hydrogen 2.672 N/A GLN 97.A N THR 101.A O no hydrogen 2.769 N/A GLY 100.A N GLN 97.A O no hydrogen 3.000 N/A THR 101.A N ASP 99.A OD1 no hydrogen 2.757 N/A THR 101.A OG1 ASP 99.A OD1 no hydrogen 2.766 N/A GLU 103.A N VAL 95.A O no hydrogen 3.012 N/A ILE 105.A N LEU 93.A O no hydrogen 2.839 N/A LYS 107.A NZ GLU 104.A OE1 no hydrogen 2.829 N/A ASP 109.A N ARG 113.A O no hydrogen 2.918 N/A SER 110.A N MET 163.A O no hydrogen 2.656 N/A SER 110.A OG MET 163.A O no hydrogen 3.525 N/A GLU 111.A N ASP 109.A OD1 no hydrogen 2.819 N/A GLY 112.A N ASP 109.A O no hydrogen 3.011 N/A ARG 113.A N ASP 109.A OD1 no hydrogen 2.989 N/A ARG 114.A NE GLU 137.A OE2 no hydrogen 2.506 N/A ARG 114.A NH2 GLU 137.A OE2 no hydrogen 2.965 N/A MET 115.A N LYS 107.A O no hydrogen 2.885 N/A GLN 116.A N TYR 155.A OH no hydrogen 3.191 N/A GLN 116.A NE2 ALA 135.A O no hydrogen 2.987 N/A GLN 116.A NE2 PHE 151.A O no hydrogen 2.883 N/A GLY 117.A N GLY 136.A O no hydrogen 2.809 N/A CYS 118.A N ASP 88.A O no hydrogen 2.979 N/A CYS 118.A SG GLN 116.A O no hydrogen 3.425 N/A ASN 119.A N THR 132.A O no hydrogen 3.005 N/A ASP 120.A N THR 132.A OG1 no hydrogen 3.138 N/A CYS 121.A N ASP 120.A OD1 no hydrogen 2.883 N/A CYS 121.A SG PHE 85.A O no hydrogen 3.975 N/A ALA 122.A N TRP 130.A O no hydrogen 2.770 N/A ASP 124.A N ASN 128.A O no hydrogen 2.928 N/A TYR 125.A N HIS 180.A NE2 no hydrogen 2.762 N/A TYR 125.A OH LYS 302.A O no hydrogen 2.571 N/A GLU 126.A N ASP 124.A OD1 no hydrogen 2.789 N/A GLY 127.A N ASP 124.A O no hydrogen 3.036 N/A ASN 128.A N ASP 124.A OD1 no hydrogen 3.109 N/A ASN 128.A ND2 ASP 124.A OD2 no hydrogen 3.399 N/A LEU 129.A N PHE 157.A O no hydrogen 2.947 N/A TRP 130.A N ALA 122.A O no hydrogen 2.760 N/A TRP 130.A NE1 ASP 124.A OD2 no hydrogen 2.846 N/A ILE 131.A N TYR 155.A O no hydrogen 2.816 N/A THR 132.A N ASP 120.A O no hydrogen 2.946 N/A THR 132.A OG1 ASP 120.A O no hydrogen 3.313 N/A THR 132.A OG1 ASN 174.A O no hydrogen 2.606 N/A ALA 133.A N SER 153.A O no hydrogen 2.728 N/A ALA 135.A N GLY 117.A O no hydrogen 3.345 N/A GLY 136.A N THR 144.A O no hydrogen 2.856 N/A VAL 138.A N MET 115.A O no hydrogen 2.950 N/A ALA 139.A N ARG 90.A O no hydrogen 2.833 N/A ALA 141.A N VAL 138.A O no hydrogen 3.035 N/A SER 146.A N PRO 134.A O no hydrogen 2.778 N/A SER 146.A OG PRO 134.A O no hydrogen 2.654 N/A GLY 152.A N PHE 170.A O no hydrogen 2.799 N/A SER 153.A N ALA 133.A O no hydrogen 2.855 N/A SER 153.A OG GLN 116.A OE1 no hydrogen 2.772 N/A SER 153.A OG THR 168.A OG1 no hydrogen 2.809 N/A ILE 154.A N ASP 167.A O no hydrogen 2.884 N/A TYR 155.A N ILE 131.A O no hydrogen 2.770 N/A CYS 156.A N ILE 164.A O no hydrogen 2.888 N/A PHE 157.A N LEU 129.A O no hydrogen 2.738 N/A THR 158.A N GLN 162.A O no hydrogen 2.983 N/A THR 158.A OG1 ASP 160.A OD1 no hydrogen 2.625 N/A THR 158.A OG1 GLN 162.A O no hydrogen 3.427 N/A THR 159.A N ASN 128.A OD1 no hydrogen 3.212 N/A GLY 161.A N THR 158.A O no hydrogen 2.965 N/A GLN 162.A N THR 158.A OG1 no hydrogen 3.036 N/A GLN 162.A NE2 ASP 160.A O no hydrogen 3.319 N/A ILE 164.A N CYS 156.A O no hydrogen 2.994 N/A VAL 166.A N ILE 154.A O no hydrogen 2.883 N/A THR 168.A N ASP 167.A OD1 no hydrogen 2.855 N/A THR 168.A OG1 GLY 152.A O no hydrogen 3.438 N/A THR 168.A OG1 SER 153.A OG no hydrogen 2.809 N/A ALA 169.A N THR 168.A OG1 no hydrogen 2.675 N/A PHE 170.A N GLY 152.A O no hydrogen 2.889 N/A GLN 171.A N GLU 193.A OE2 no hydrogen 2.910 N/A GLN 171.A NE2 MET 147.A O no hydrogen 3.097 N/A PHE 172.A N SER 146.A OG no hydrogen 3.127 N/A ASN 174.A N ALA 192.A O no hydrogen 2.704 N/A ASN 174.A ND2 THR 194.A OG1 no hydrogen 3.120 N/A ALA 177.A N ILE 190.A O no hydrogen 2.963 N/A ARG 179.A N GLN 188.A O no hydrogen 2.873 N/A MET 181.A N ARG 185.A O no hydrogen 2.787 N/A GLY 184.A N MET 181.A O no hydrogen 3.026 N/A ARG 185.A N ASP 183.A OD1 no hydrogen 3.014 N/A TYR 187.A N ARG 179.A O no hydrogen 2.827 N/A GLN 188.A N ARG 179.A O no hydrogen 3.150 N/A LEU 189.A N TYR 202.A O no hydrogen 2.965 N/A ILE 190.A N ALA 177.A O no hydrogen 2.881 N/A VAL 191.A N TRP 200.A O no hydrogen 2.798 N/A ALA 192.A N GLY 175.A O no hydrogen 2.944 N/A GLU 193.A N LYS 198.A O no hydrogen 3.004 N/A THR 194.A N PHE 172.A O no hydrogen 3.384 N/A THR 194.A OG1 ALA 227.A O no hydrogen 2.926 N/A THR 196.A OG1 GLU 193.A O no hydrogen 3.055 N/A THR 196.A OG1 GLU 193.A OE1 no hydrogen 2.572 N/A LYS 197.A N THR 194.A O no hydrogen 3.161 N/A LYS 197.A NZ HIS 223.A O no hydrogen 2.936 N/A LYS 197.A NZ GLY 225.A O no hydrogen 2.946 N/A LEU 199.A N GLY 217.A O no hydrogen 3.084 N/A TRP 200.A N VAL 191.A O no hydrogen 2.732 N/A TRP 200.A NE1 GLU 193.A OE1 no hydrogen 2.923 N/A SER 201.A N LYS 214.A O no hydrogen 2.863 N/A TYR 202.A N LEU 189.A O no hydrogen 2.992 N/A TYR 202.A OH ASP 167.A OD2 no hydrogen 2.469 N/A ASP 203.A N GLU 211.A O no hydrogen 2.807 N/A ILE 204.A N TYR 187.A O no hydrogen 2.789 N/A LYS 205.A N LYS 209.A O no hydrogen 2.858 N/A LYS 209.A N GLY 206.A O no hydrogen 2.805 N/A GLU 211.A N ASP 203.A O no hydrogen 3.043 N/A ASN 212.A ND2 ASP 203.A OD2 no hydrogen 2.676 N/A LYS 214.A N SER 201.A O no hydrogen 2.922 N/A TRP 216.A N LEU 199.A O no hydrogen 2.768 N/A GLY 217.A N LEU 199.A O no hydrogen 3.149 N/A HIS 218.A N GLY 256.A O no hydrogen 2.896 N/A ILE 219.A N LYS 197.A O no hydrogen 2.878 N/A GLY 226.A N TRP 243.A O no hydrogen 3.105 N/A ASP 228.A N ALA 241.A O no hydrogen 2.777 N/A GLY 229.A N SER 270.A O no hydrogen 2.817 N/A ASP 231.A N LEU 239.A O no hydrogen 3.212 N/A ASP 233.A N ASN 237.A O no hydrogen 2.933 N/A GLU 234.A N ASN 299.A O no hydrogen 2.707 N/A ASP 235.A N ASP 233.A OD1 no hydrogen 2.807 N/A ASN 236.A N ASP 233.A O no hydrogen 2.923 N/A ASN 237.A N ASP 233.A OD1 no hydrogen 2.876 N/A LEU 238.A N PHE 251.A O no hydrogen 2.878 N/A LEU 239.A N ASP 231.A O no hydrogen 2.911 N/A VAL 240.A N GLU 249.A O no hydrogen 2.750 N/A ALA 241.A N GLY 229.A O no hydrogen 2.989 N/A ASN 242.A N HIS 247.A O no hydrogen 3.099 N/A ASN 242.A ND2 HIS 223.A NE2 no hydrogen 3.064 N/A TRP 243.A N GLY 226.A O no hydrogen 2.917 N/A TRP 243.A NE1 HIS 286.A ND1 no hydrogen 3.212 N/A GLY 244.A N GLU 267.A O no hydrogen 2.979 N/A SER 245.A N ASN 242.A O no hydrogen 3.017 N/A SER 245.A OG ASN 242.A O no hydrogen 2.695 N/A SER 246.A N GLU 267.A O no hydrogen 3.262 N/A SER 246.A OG PHE 266.A O no hydrogen 3.393 N/A HIS 247.A N SER 245.A OG no hydrogen 3.293 N/A HIS 247.A ND1 SER 245.A O no hydrogen 2.625 N/A ILE 248.A N ILE 262.A O no hydrogen 2.951 N/A GLU 249.A N VAL 240.A O no hydrogen 2.806 N/A VAL 250.A N MET 260.A O no hydrogen 2.791 N/A PHE 251.A N LEU 238.A O no hydrogen 2.805 N/A GLY 255.A N GLY 252.A O no hydrogen 2.865 N/A GLY 256.A N TRP 216.A O no hydrogen 2.764 N/A LYS 259.A N VAL 250.A O no hydrogen 2.813 N/A MET 260.A N VAL 250.A O no hydrogen 3.338 N/A ARG 261.A N PRO 3.A O no hydrogen 3.021 N/A ARG 261.A NE GLU 249.A OE1 no hydrogen 2.687 N/A ARG 261.A NE GLU 249.A OE2 no hydrogen 3.409 N/A ARG 261.A NH2 GLU 249.A OE2 no hydrogen 2.690 N/A ILE 262.A N ILE 248.A O no hydrogen 2.828 N/A ARG 263.A N ILE 5.A O no hydrogen 2.916 N/A CYS 264.A N SER 246.A O no hydrogen 2.920 N/A CYS 264.A SG ILE 262.A O no hydrogen 4.045 N/A GLU 267.A N GLU 287.A OE1 no hydrogen 2.639 N/A SER 270.A N THR 284.A O no hydrogen 2.803 N/A SER 270.A OG ALA 19.A O no hydrogen 2.897 N/A SER 270.A OG THR 284.A OG1 no hydrogen 2.638 N/A ASN 271.A ND2 GLU 20.A OE1 no hydrogen 2.709 N/A ASN 271.A ND2 ASP 120.A OD2 no hydrogen 3.144 N/A LEU 272.A N ASN 271.A OD1 no hydrogen 2.905 N/A HIS 273.A N PHE 282.A O no hydrogen 2.908 N/A LYS 275.A N THR 280.A O no hydrogen 2.887 N/A THR 278.A N LYS 275.A O no hydrogen 3.032 N/A THR 278.A OG1 LYS 275.A O no hydrogen 2.825 N/A THR 280.A N THR 278.A OG1 no hydrogen 3.192 N/A THR 280.A OG1 GLU 295.A OE1 no hydrogen 3.431 N/A THR 280.A OG1 GLU 295.A OE2 no hydrogen 2.594 N/A ILE 281.A N PHE 294.A O no hydrogen 2.889 N/A PHE 282.A N HIS 273.A O no hydrogen 2.785 N/A VAL 283.A N TRP 292.A O no hydrogen 2.768 N/A THR 284.A N ASN 271.A O no hydrogen 2.976 N/A THR 284.A OG1 ALA 19.A O no hydrogen 3.440 N/A THR 284.A OG1 SER 270.A OG no hydrogen 2.638 N/A THR 284.A OG1 ASN 271.A O no hydrogen 3.441 N/A GLU 285.A N ALA 290.A O no hydrogen 3.118 N/A HIS 286.A N LYS 268.A O no hydrogen 2.810 N/A HIS 286.A NE2 ALA 19.A O no hydrogen 2.955 N/A GLU 287.A N GLU 285.A OE1 no hydrogen 2.737 N/A ASN 288.A N GLU 285.A OE1 no hydrogen 2.764 N/A ALA 290.A N GLU 285.A O no hydrogen 3.279 N/A VAL 291.A N THR 13.A O no hydrogen 2.855 N/A TRP 292.A N VAL 283.A O no hydrogen 2.844 N/A TRP 292.A NE1 GLU 285.A OE2 no hydrogen 2.801 N/A LYS 293.A N THR 10.A O no hydrogen 2.915 N/A PHE 294.A N ILE 281.A O no hydrogen 3.091 N/A TRP 296.A N LYS 279.A O no hydrogen 2.752 N/A TRP 296.A NE1 ASP 233.A OD2 no hydrogen 2.998 N/A ARG 298.A NH1 ASP 233.A OD2 no hydrogen 3.172 N/A ARG 298.A NH2 GLN 297.A OE1 no hydrogen 3.459 N/A LYS 301.A N PHE 232.A O no hydrogen 3.077 N/A GLN 303.A N GLU 306.A OE2 no hydrogen 2.747 N/A GLN 303.A NE2 GLN 76.A OE1 no hydrogen 2.929 N/A GLU 306.A N GLN 303.A O no hydrogen 2.981 N/A THR 307.A N TYR 304.A O no hydrogen 3.058 N/A THR 307.A OG1 TYR 304.A O no hydrogen 2.685 N/A