Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3khp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N GLN 147.A OE1 no hydrogen 2.794 N/A ASP 7.A N VAL 73.A O no hydrogen 2.709 N/A ASN 9.A N ASP 7.A OD1 no hydrogen 2.836 N/A SER 10.A N ASP 7.A O no hydrogen 3.226 N/A SER 10.A OG ASP 7.A O no hydrogen 2.755 N/A GLY 12.A N VAL 106.A O no hydrogen 2.907 N/A ALA 13.A N SER 10.A O no hydrogen 2.783 N/A THR 15.A N THR 104.A O no hydrogen 3.138 N/A THR 15.A OG1 THR 104.A O no hydrogen 3.538 N/A THR 15.A OG1 THR 104.A OG1 no hydrogen 2.690 N/A MET 18.A N VAL 102.A O no hydrogen 2.794 N/A PHE 20.A N LEU 100.A O no hydrogen 2.728 N/A TRP 22.A N GLY 98.A O no hydrogen 2.953 N/A TRP 22.A NE1 PRO 95.A O no hydrogen 2.821 N/A THR 23.A N ASP 26.A OD2 no hydrogen 2.845 N/A THR 23.A OG1 ASP 26.A OD2 no hydrogen 3.490 N/A ASP 26.A N THR 23.A O no hydrogen 3.018 N/A THR 27.A OG1 ASP 24.A O no hydrogen 3.207 N/A THR 27.A OG1 ALA 96.A O no hydrogen 2.727 N/A LEU 28.A N ASP 24.A O no hydrogen 2.912 N/A LEU 29.A N ARG 25.A O no hydrogen 2.833 N/A TYR 30.A N ASP 26.A O no hydrogen 2.975 N/A TYR 30.A OH THR 58.A OG1 no hydrogen 2.451 N/A ALA 31.A N THR 27.A O no hydrogen 3.030 N/A ILE 32.A N LEU 28.A O no hydrogen 3.054 N/A GLY 33.A N LEU 29.A O no hydrogen 2.859 N/A VAL 34.A N TYR 30.A O no hydrogen 2.913 N/A VAL 34.A N ALA 31.A O no hydrogen 3.137 N/A GLY 35.A N ILE 32.A O no hydrogen 2.827 N/A ALA 36.A N ALA 31.A O no hydrogen 2.980 N/A ASP 40.A N GLY 37.A O no hydrogen 3.329 N/A PHE 43.A N ASP 40.A O no hydrogen 2.940 N/A THR 44.A OG1 GLY 37.A O no hydrogen 2.911 N/A THR 44.A OG1 ASP 40.A O no hydrogen 3.405 N/A THR 45.A N LEU 41.A O no hydrogen 2.954 N/A THR 45.A OG1 LEU 41.A O no hydrogen 2.523 N/A THR 45.A OG1 SER 48.A OG no hydrogen 2.795 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.513 N/A SER 48.A OG THR 45.A OG1 no hydrogen 2.795 N/A ILE 51.A N SER 48.A O no hydrogen 3.379 N/A GLN 53.A NE2 THR 27.A OG1 no hydrogen 3.026 N/A GLN 54.A N ALA 42.A O no hydrogen 2.876 N/A GLN 54.A NE2 GLY 231.A O no hydrogen 3.611 N/A THR 58.A OG1 TYR 30.A OH no hydrogen 2.451 N/A TYR 59.A N LEU 56.A O no hydrogen 2.967 N/A ALA 60.A N PRO 57.A O no hydrogen 2.970 N/A VAL 61.A N THR 58.A O no hydrogen 3.143 N/A ILE 62.A N TYR 59.A O no hydrogen 2.940 N/A CYS 63.A N TYR 59.A O no hydrogen 3.234 N/A CYS 63.A SG TYR 59.A O no hydrogen 3.503 N/A CYS 64.A N ALA 60.A O no hydrogen 2.802 N/A CYS 64.A SG ALA 136.A O no hydrogen 3.600 N/A ALA 69.A N ALA 66.A O no hydrogen 3.377 N/A ALA 70.A N PHE 67.A O no hydrogen 3.014 N/A LYS 72.A N ALA 69.A O no hydrogen 3.085 N/A VAL 73.A N ALA 70.A O no hydrogen 2.840 N/A GLY 74.A N ALA 70.A O no hydrogen 3.133 N/A ALA 79.A N ASN 77.A OD1 no hydrogen 2.587 N/A HIS 83.A N PHE 243.A O no hydrogen 2.679 N/A GLY 84.A N LEU 81.A O no hydrogen 2.692 N/A SER 85.A N THR 141.A O no hydrogen 2.934 N/A SER 85.A OG ALA 241.A O no hydrogen 3.423 N/A GLN 86.A N ALA 241.A O no hydrogen 2.972 N/A GLN 86.A NE2 GLY 87.A O no hydrogen 3.135 N/A GLY 87.A N LEU 139.A O no hydrogen 2.771 N/A ILE 88.A N ILE 239.A O no hydrogen 2.932 N/A ARG 89.A N GLU 137.A O no hydrogen 2.831 N/A ARG 89.A NH1 GLU 285.A OE1 no hydrogen 2.828 N/A ARG 89.A NH2 GLU 285.A OE1 no hydrogen 3.522 N/A ARG 89.A NH2 GLU 285.A OE2 no hydrogen 2.876 N/A LEU 90.A N THR 237.A O no hydrogen 2.716 N/A HIS 91.A N VAL 135.A O no hydrogen 2.799 N/A HIS 91.A NE2 GLU 137.A OE1 no hydrogen 2.835 N/A GLY 98.A N TRP 22.A O no hydrogen 3.008 N/A LEU 100.A N PHE 20.A O no hydrogen 2.688 N/A SER 101.A N CYS 127.A O no hydrogen 2.925 N/A VAL 102.A N MET 18.A O no hydrogen 2.762 N/A VAL 103.A N ARG 125.A O no hydrogen 2.994 N/A THR 104.A N THR 15.A OG1 no hydrogen 2.942 N/A THR 104.A OG1 THR 15.A OG1 no hydrogen 2.690 N/A VAL 106.A N ALA 13.A O no hydrogen 3.085 N/A ALA 107.A N VAL 121.A O no hydrogen 2.635 N/A ASP 108.A N VAL 121.A O no hydrogen 3.313 N/A GLN 110.A N ILE 119.A O no hydrogen 2.839 N/A GLN 110.A NE2 ASP 108.A OD2 no hydrogen 2.943 N/A GLN 110.A NE2 GLU 156.A O no hydrogen 3.159 N/A ASP 111.A N ALA 153.A O no hydrogen 2.912 N/A LYS 112.A N ASN 117.A O no hydrogen 3.082 N/A LYS 112.A NZ GLN 110.A OE1 no hydrogen 2.826 N/A LYS 112.A NZ ARG 154.A O no hydrogen 2.833 N/A GLY 113.A N ASP 111.A OD1 no hydrogen 2.831 N/A LYS 116.A N GLY 113.A O no hydrogen 2.900 N/A ALA 118.A N LEU 144.A O no hydrogen 3.096 N/A ILE 119.A N GLN 110.A O no hydrogen 2.949 N/A VAL 120.A N LEU 142.A O no hydrogen 2.970 N/A VAL 121.A N ASP 108.A O no hydrogen 2.823 N/A LEU 122.A N THR 140.A O no hydrogen 2.824 N/A ARG 123.A N GLU 105.A O no hydrogen 2.888 N/A ARG 123.A NH1 GLU 105.A OE1 no hydrogen 3.014 N/A GLY 124.A N THR 138.A O no hydrogen 2.784 N/A ARG 125.A N VAL 103.A O no hydrogen 2.920 N/A GLY 126.A N ALA 136.A O no hydrogen 2.801 N/A CYS 127.A N SER 101.A O no hydrogen 3.001 N/A CYS 127.A SG GLY 132.A O no hydrogen 3.493 N/A ASP 128.A N SER 133.A O no hydrogen 3.025 N/A SER 131.A N ASP 128.A OD2 no hydrogen 3.041 N/A SER 131.A OG ASP 128.A OD2 no hydrogen 2.976 N/A GLY 132.A N ASP 128.A O no hydrogen 2.764 N/A SER 133.A N SER 131.A OG no hydrogen 3.410 N/A VAL 135.A N GLY 126.A O no hydrogen 2.843 N/A ALA 136.A N GLY 126.A O no hydrogen 3.142 N/A GLU 137.A N ARG 89.A O no hydrogen 2.815 N/A THR 138.A N GLY 124.A O no hydrogen 2.828 N/A THR 138.A OG1 CYS 64.A O no hydrogen 2.648 N/A LEU 139.A N GLY 87.A O no hydrogen 2.850 N/A THR 140.A N LEU 122.A O no hydrogen 2.865 N/A THR 140.A OG1 GLN 86.A OE1 no hydrogen 2.760 N/A THR 141.A N SER 85.A O no hydrogen 2.899 N/A LEU 142.A N VAL 120.A O no hydrogen 2.738 N/A LEU 144.A N ALA 118.A O no hydrogen 2.708 N/A GLY 146.A N ASN 117.A OD1 no hydrogen 2.949 N/A GLN 147.A N LEU 144.A O no hydrogen 3.179 N/A GLN 147.A NE2 ARG 145.A O no hydrogen 3.136 N/A GLY 148.A N LYS 116.A O no hydrogen 2.962 N/A GLY 149.A N ASP 111.A OD1 no hydrogen 2.757 N/A PHE 150.A N ASP 111.A OD2 no hydrogen 2.989 N/A GLY 152.A N ASP 111.A OD2 no hydrogen 3.028 N/A ARG 154.A NH1 LYS 112.A O no hydrogen 3.438 N/A ARG 166.A NH1 ASP 169.A OD2 no hydrogen 3.283 N/A ARG 166.A NH2 ASP 169.A OD1 no hydrogen 2.459 N/A ARG 166.A NH2 ASP 169.A OD2 no hydrogen 3.282 N/A ALA 170.A N ILE 257.A O no hydrogen 3.331 N/A ARG 171.A NH1.A GLU 270.A OE1 no hydrogen 3.417 N/A ARG 171.A NH2.B ASP 173.A OD2 no hydrogen 3.445 N/A ILE 172.A N THR 255.A O no hydrogen 2.963 N/A MET 174.A N LEU 253.A O no hydrogen 2.779 N/A THR 176.A OG1 GLU 251.A O no hydrogen 2.589 N/A ARG 177.A N GLN 180.A OE1 no hydrogen 2.871 N/A GLN 180.A N ARG 177.A O no hydrogen 2.846 N/A GLN 180.A NE2 GLY 33.A O no hydrogen 3.075 N/A LEU 182.A N ASP 179.A O no hydrogen 3.139 N/A ILE 183.A N GLN 180.A O no hydrogen 3.091 N/A TYR 184.A N GLN 180.A O no hydrogen 2.883 N/A ARG 185.A N ALA 181.A O no hydrogen 2.878 N/A ARG 185.A NH2 ARG 190.A O no hydrogen 2.929 N/A LEU 186.A N ILE 183.A O no hydrogen 3.015 N/A SER 187.A N TYR 184.A O no hydrogen 2.965 N/A GLY 188.A N ARG 185.A O no hydrogen 3.058 N/A ASN 191.A N ASP 189.A OD1 no hydrogen 3.035 N/A LEU 193.A N ASN 191.A OD1 no hydrogen 2.832 N/A HIS 194.A N ASN 191.A O no hydrogen 3.181 N/A HIS 194.A ND1 ILE 210.A O no hydrogen 2.813 N/A SER 195.A N PRO 192.A O no hydrogen 3.125 N/A ASP 196.A N PRO 192.A O no hydrogen 3.009 N/A TRP 198.A N ASP 196.A OD1 no hydrogen 3.106 N/A ALA 200.A N ASP 196.A O no hydrogen 2.921 N/A THR 201.A N PRO 197.A O no hydrogen 3.030 N/A GLN 202.A N TRP 198.A O no hydrogen 2.744 N/A LEU 203.A N PHE 199.A O no hydrogen 3.037 N/A ALA 204.A N PHE 199.A O no hydrogen 3.357 N/A GLY 205.A N THR 201.A O no hydrogen 3.115 N/A PHE 206.A N ALA 200.A O no hydrogen 3.111 N/A ILE 210.A N LEU 193.A O no hydrogen 3.274 N/A LEU 211.A N VAL 247.A O no hydrogen 2.788 N/A HIS 212.A NE2 ASP 189.A O no hydrogen 2.869 N/A CYS 215.A N HIS 212.A O no hydrogen 2.913 N/A CYS 215.A SG GLY 33.A O no hydrogen 3.434 N/A THR 216.A N HIS 212.A O no hydrogen 3.251 N/A TYR 217.A N GLY 213.A O no hydrogen 2.958 N/A TYR 217.A OH GLN 86.A O no hydrogen 3.264 N/A TYR 217.A OH ILE 239.A O no hydrogen 2.726 N/A GLY 218.A N LEU 214.A O no hydrogen 2.911 N/A VAL 219.A N CYS 215.A O no hydrogen 2.864 N/A ALA 220.A N THR 216.A O no hydrogen 2.931 N/A GLY 221.A N TYR 217.A O no hydrogen 2.846 N/A ARG 222.A N GLY 218.A O no hydrogen 2.998 N/A ARG 222.A NE VAL 34.A O no hydrogen 2.895 N/A ARG 222.A NH2 VAL 34.A O no hydrogen 2.965 N/A ALA 223.A N VAL 219.A O no hydrogen 3.095 N/A LEU 224.A N ALA 220.A O no hydrogen 2.972 N/A VAL 225.A N GLY 221.A O no hydrogen 2.999 N/A ALA 226.A N ARG 222.A O no hydrogen 3.036 N/A GLU 227.A N ALA 223.A O no hydrogen 3.035 N/A LEU 228.A N LEU 224.A O no hydrogen 2.971 N/A GLY 229.A N LEU 224.A O no hydrogen 3.229 N/A GLY 231.A N VAL 225.A O no hydrogen 2.769 N/A VAL 232.A N GLY 229.A O no hydrogen 2.949 N/A ALA 233.A N GLN 54.A OE1 no hydrogen 2.749 N/A ASN 235.A N VAL 232.A O no hydrogen 3.003 N/A ASN 235.A ND2 GLY 229.A O no hydrogen 3.235 N/A ILE 236.A N ALA 233.A O no hydrogen 2.943 N/A THR 237.A N GLU 285.A O no hydrogen 2.897 N/A SER 238.A N GLU 285.A O no hydrogen 3.287 N/A ILE 239.A N ILE 88.A O no hydrogen 3.233 N/A ALA 240.A N ALA 283.A O no hydrogen 3.067 N/A ALA 241.A N GLN 86.A O no hydrogen 3.064 N/A ARG 242.A N ASP 280.A O no hydrogen 2.834 N/A ARG 242.A NE ASP 281.A OD2 no hydrogen 2.741 N/A ARG 242.A NH2 ASP 281.A OD2 no hydrogen 2.905 N/A PHE 243.A N GLY 84.A O no hydrogen 2.835 N/A THR 244.A N VAL 278.A O no hydrogen 3.031 N/A THR 244.A OG1 VAL 277.A O no hydrogen 2.812 N/A PHE 248.A N GLU 251.A OE1 no hydrogen 2.874 N/A GLY 250.A N THR 176.A OG1 no hydrogen 2.911 N/A GLU 251.A N PHE 248.A O no hydrogen 3.127 N/A LEU 253.A N MET 174.A O no hydrogen 2.804 N/A SER 254.A N GLU 270.A O no hydrogen 2.840 N/A SER 254.A OG ASP 173.A OD1 no hydrogen 2.422 N/A THR 255.A N ILE 172.A O no hydrogen 2.889 N/A THR 255.A OG1 THR 269.A OG1 no hydrogen 3.064 N/A VAL 256.A N ARG 268.A O no hydrogen 2.756 N/A ILE 257.A N ALA 170.A O no hydrogen 2.847 N/A TRP 258.A N VAL 266.A O no hydrogen 2.929 N/A TRP 258.A NE1 ARG 166.A O no hydrogen 3.177 N/A ARG 259.A N ASP 169.A OD2 no hydrogen 2.605 N/A ARG 259.A NH1.A GLU 227.A OE2 no hydrogen 2.886 N/A ARG 259.A NH2.A GLU 227.A OE2 no hydrogen 2.795 N/A ARG 259.A NH2.B GLU 227.A OE2 no hydrogen 3.176 N/A THR 260.A N ARG 264.A O no hydrogen 3.138 N/A THR 260.A OG1 ARG 264.A O no hydrogen 3.340 N/A ARG 264.A N GLU 261.A O no hydrogen 2.702 N/A ARG 264.A NH1 GLY 263.A O no hydrogen 3.432 N/A ALA 265.A N VAL 284.A O no hydrogen 2.947 N/A VAL 266.A N TRP 258.A O no hydrogen 2.995 N/A PHE 267.A N GLY 282.A O no hydrogen 2.918 N/A ARG 268.A N VAL 256.A O no hydrogen 2.999 N/A ARG 268.A NH1 ASP 280.A OD1 no hydrogen 3.544 N/A THR 269.A N LEU 279.A O no hydrogen 2.945 N/A THR 269.A OG1 THR 255.A OG1 no hydrogen 3.064 N/A GLU 270.A N SER 254.A O no hydrogen 2.957 N/A VAL 271.A N ARG 276.A O no hydrogen 2.912 N/A ARG 276.A N VAL 271.A O no hydrogen 3.101 N/A ARG 276.A NH1 PRO 246.A O no hydrogen 2.792 N/A ARG 276.A NH1 GLU 251.A OE1 no hydrogen 2.924 N/A ARG 276.A NH2 GLU 251.A OE1 no hydrogen 3.464 N/A ARG 276.A NH2 GLU 251.A OE2 no hydrogen 2.602 N/A VAL 278.A N THR 269.A O no hydrogen 2.862 N/A LEU 279.A N THR 269.A O no hydrogen 3.078 N/A ASP 280.A N ARG 242.A O no hydrogen 2.947 N/A ASP 281.A N ASP 280.A OD1 no hydrogen 2.793 N/A GLY 282.A N PHE 267.A O no hydrogen 2.894 N/A ALA 283.A N ALA 240.A O no hydrogen 2.994 N/A VAL 284.A N ALA 265.A O no hydrogen 2.832 N/A GLU 285.A N SER 238.A O no hydrogen 3.045 N/A TYR 286.A N GLY 263.A O no hydrogen 2.933 N/A VAL 287.A N ASN 235.A O no hydrogen 2.890 N/A