Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 ASP 200.A OD1 no hydrogen 3.487 N/A GLY 4.A N ASP 200.A O no hydrogen 3.123 N/A ILE 6.A N ASN 202.A O no hydrogen 2.938 N/A VAL 7.A N SER 38.A O no hydrogen 3.156 N/A ALA 8.A N SER 204.A O no hydrogen 2.889 N/A ILE 9.A N VAL 40.A O no hydrogen 3.235 N/A VAL 10.A N ASN 208.A OD1 no hydrogen 3.301 N/A THR 11.A OG1 GLY 46.A O no hydrogen 2.729 N/A LEU 14.A N GLY 18.A O no hydrogen 2.823 N/A LYS 15.A NZ THR 264.A OG1 no hydrogen 3.027 N/A GLY 17.A N LEU 14.A O no hydrogen 2.623 N/A GLY 18.A N ASP 16.A OD1 no hydrogen 3.111 N/A ASP 20.A N PRO 12.A O no hydrogen 2.817 N/A SER 23.A N ASP 20.A OD1 no hydrogen 3.026 N/A SER 23.A OG ASP 20.A OD2 no hydrogen 2.647 N/A LEU 24.A N ASP 20.A O no hydrogen 3.162 N/A GLU 25.A N TRP 21.A O no hydrogen 2.880 N/A LYS 26.A N LYS 22.A O no hydrogen 2.968 N/A LEU 27.A N SER 23.A O no hydrogen 3.148 N/A LEU 27.A N LEU 24.A O no hydrogen 2.611 N/A VAL 28.A N LEU 24.A O no hydrogen 3.054 N/A GLU 29.A N GLU 25.A O no hydrogen 3.100 N/A TRP 30.A N LYS 26.A O no hydrogen 2.841 N/A HIS 31.A N LEU 27.A O no hydrogen 2.697 N/A HIS 31.A NE2 ALA 207.A O no hydrogen 2.888 N/A ILE 32.A N VAL 28.A O no hydrogen 2.902 N/A GLU 33.A N GLU 29.A O no hydrogen 3.087 N/A GLU 33.A N TRP 30.A O no hydrogen 3.279 N/A GLN 34.A N TRP 30.A O no hydrogen 2.959 N/A GLN 34.A N HIS 31.A O no hydrogen 3.189 N/A GLY 35.A N HIS 31.A O no hydrogen 3.242 N/A ASN 37.A N SER 5.A O no hydrogen 3.026 N/A ILE 39.A N PRO 72.A O no hydrogen 3.301 N/A VAL 40.A N VAL 7.A O no hydrogen 2.952 N/A ALA 41.A N ILE 74.A O no hydrogen 2.838 N/A GLY 46.A N GLY 43.A O no hydrogen 2.807 N/A GLU 47.A N THR 44.A O no hydrogen 3.056 N/A ALA 48.A N GLY 43.A O no hydrogen 3.207 N/A THR 50.A N GLU 47.A O no hydrogen 3.064 N/A THR 50.A OG1 GLU 47.A O no hydrogen 3.401 N/A SER 52.A N GLU 55.A OE1 no hydrogen 2.582 N/A SER 52.A OG GLU 55.A OE1 no hydrogen 2.723 N/A GLU 55.A N SER 52.A OG no hydrogen 3.102 N/A HIS 56.A N SER 52.A O no hydrogen 2.918 N/A HIS 56.A NE2 ALA 48.A O no hydrogen 2.848 N/A THR 57.A OG1 MET 53.A O no hydrogen 3.378 N/A GLN 58.A N GLU 54.A O no hydrogen 2.935 N/A VAL 59.A N GLU 55.A O no hydrogen 2.893 N/A ILE 60.A N HIS 56.A O no hydrogen 2.788 N/A LYS 61.A N THR 57.A O no hydrogen 2.770 N/A GLU 62.A N GLN 58.A O no hydrogen 3.066 N/A ILE 63.A N VAL 59.A O no hydrogen 3.267 N/A ILE 64.A N ILE 60.A O no hydrogen 3.061 N/A ARG 65.A N LYS 61.A O no hydrogen 2.806 N/A ARG 65.A NE GLU 62.A OE2 no hydrogen 2.959 N/A ARG 65.A NH2 GLU 25.A OE2 no hydrogen 3.097 N/A ARG 65.A NH2 GLU 62.A OE2 no hydrogen 3.491 N/A VAL 66.A N GLU 62.A O no hydrogen 2.879 N/A ALA 67.A N ILE 63.A O no hydrogen 2.855 N/A ASN 68.A N ILE 64.A O no hydrogen 3.106 N/A ARG 70.A NE ALA 67.A O no hydrogen 2.778 N/A ARG 70.A NH1 GLU 29.A OE2 no hydrogen 3.147 N/A ARG 70.A NH2 GLU 29.A OE1 no hydrogen 3.165 N/A ARG 70.A NH2 GLU 29.A OE2 no hydrogen 2.918 N/A ARG 70.A NH2 VAL 66.A O no hydrogen 3.240 N/A ILE 73.A N ASP 98.A OD2 no hydrogen 2.613 N/A ILE 74.A N ILE 39.A O no hydrogen 2.633 N/A ALA 75.A N ALA 99.A O no hydrogen 2.635 N/A GLY 76.A N ALA 41.A O no hydrogen 2.821 N/A THR 77.A N LEU 101.A O no hydrogen 2.994 N/A THR 77.A OG1 THR 89.A OG1 no hydrogen 2.993 N/A ASN 80.A ND2 TYR 106.A O no hydrogen 2.995 N/A THR 82.A OG1 HIS 118.A ND1 no hydrogen 2.969 N/A ALA 85.A N SER 81.A O no hydrogen 3.060 N/A ILE 86.A N THR 82.A O no hydrogen 2.934 N/A GLU 87.A N ARG 83.A O no hydrogen 3.179 N/A LEU 88.A N GLU 84.A O no hydrogen 3.137 N/A THR 89.A N ALA 85.A O no hydrogen 2.980 N/A THR 89.A OG1 THR 77.A OG1 no hydrogen 2.993 N/A THR 89.A OG1 ALA 85.A O no hydrogen 2.846 N/A LYS 90.A N ILE 86.A O no hydrogen 3.082 N/A ALA 91.A N GLU 87.A O no hydrogen 2.905 N/A ALA 92.A N LEU 88.A O no hydrogen 3.018 N/A LYS 93.A N THR 89.A O no hydrogen 2.899 N/A ASP 94.A N LYS 90.A O no hydrogen 2.849 N/A LEU 95.A N ALA 91.A O no hydrogen 3.089 N/A LEU 95.A N ALA 92.A O no hydrogen 3.302 N/A GLY 96.A N LYS 93.A O no hydrogen 2.403 N/A ALA 97.A N ALA 92.A O no hydrogen 2.998 N/A ASP 98.A N ILE 73.A O no hydrogen 2.905 N/A ALA 100.A N PRO 129.A O no hydrogen 3.124 N/A LEU 101.A N ALA 75.A O no hydrogen 2.737 N/A LEU 102.A N ILE 131.A O no hydrogen 2.926 N/A THR 104.A N TYR 133.A O no hydrogen 3.095 N/A TYR 107.A N THR 139.A O no hydrogen 2.983 N/A ASN 108.A N TYR 106.A O no hydrogen 2.875 N/A GLN 112.A NE2 THR 147.A OG1 no hydrogen 2.312 N/A GLY 114.A N THR 111.A OG1 no hydrogen 3.180 N/A LEU 115.A N THR 111.A O no hydrogen 2.830 N/A TYR 116.A N GLN 112.A O no hydrogen 2.869 N/A GLN 117.A N GLU 113.A O no hydrogen 2.854 N/A HIS 118.A N GLY 114.A O no hydrogen 2.672 N/A HIS 118.A ND1 THR 82.A OG1 no hydrogen 2.969 N/A TYR 119.A N LEU 115.A O no hydrogen 3.029 N/A TYR 119.A OH LEU 102.A O no hydrogen 2.810 N/A LYS 120.A N TYR 116.A O no hydrogen 2.920 N/A LYS 120.A NZ GLU 124.A OE2 no hydrogen 3.200 N/A ALA 121.A N GLN 117.A O no hydrogen 2.760 N/A ILE 122.A N HIS 118.A O no hydrogen 3.203 N/A ALA 123.A N TYR 119.A O no hydrogen 2.964 N/A GLU 124.A N LYS 120.A O no hydrogen 3.003 N/A ALA 125.A N ALA 121.A O no hydrogen 3.008 N/A VAL 126.A N ILE 122.A O no hydrogen 2.832 N/A LEU 130.A N ASN 156.A O no hydrogen 2.680 N/A ILE 131.A N ALA 100.A O no hydrogen 2.791 N/A LEU 132.A N GLY 159.A O no hydrogen 2.672 N/A ASN 134.A N LYS 161.A O no hydrogen 3.027 N/A ASN 134.A ND2 ASP 142.A OD1 no hydrogen 3.018 N/A ARG 138.A N VAL 135.A O no hydrogen 2.879 N/A ARG 138.A NH2 ASN 248.A O no hydrogen 3.030 N/A THR 139.A N VAL 135.A O no hydrogen 3.190 N/A THR 139.A OG1 VAL 135.A O no hydrogen 3.309 N/A THR 139.A OG1 VAL 141.A O no hydrogen 3.051 N/A GLY 140.A N PRO 136.A O no hydrogen 3.088 N/A LEU 143.A N ASN 134.A OD1 no hydrogen 2.922 N/A SER 144.A OG THR 147.A OG1 no hydrogen 2.819 N/A ASN 145.A ND2 ARG 169.A O no hydrogen 3.355 N/A THR 147.A N SER 144.A OG no hydrogen 2.970 N/A THR 147.A OG1 SER 144.A OG no hydrogen 2.819 N/A ALA 148.A N SER 144.A O no hydrogen 2.923 N/A VAL 149.A N ASN 145.A O no hydrogen 2.781 N/A ARG 150.A N ASP 146.A O no hydrogen 2.915 N/A ARG 150.A NH1 GLU 113.A OE1 no hydrogen 2.959 N/A LEU 151.A N THR 147.A O no hydrogen 2.995 N/A ALA 152.A N ALA 148.A O no hydrogen 2.909 N/A GLU 153.A N ARG 150.A O no hydrogen 3.455 N/A ILE 154.A N LEU 151.A O no hydrogen 2.796 N/A ASN 156.A ND2 ALA 123.A O no hydrogen 3.119 N/A ASN 156.A ND2 LEU 128.A O no hydrogen 3.064 N/A ILE 157.A N ILE 154.A O no hydrogen 2.988 N/A VAL 158.A N LEU 130.A O no hydrogen 2.853 N/A ILE 160.A N ALA 182.A O no hydrogen 3.052 N/A LYS 161.A N LEU 132.A O no hydrogen 2.663 N/A LYS 161.A NZ TYR 133.A OH no hydrogen 3.198 N/A ASP 162.A N TYR 184.A O no hydrogen 2.753 N/A ALA 163.A N ASN 134.A O no hydrogen 3.014 N/A THR 164.A N ASP 162.A OD1 no hydrogen 2.838 N/A THR 164.A OG1 ASP 162.A OD1 no hydrogen 2.320 N/A THR 164.A OG1 ASP 162.A OD2 no hydrogen 3.409 N/A ASP 166.A N THR 164.A OG1 no hydrogen 3.212 N/A ARG 169.A N ASP 166.A OD1 no hydrogen 3.445 N/A ARG 169.A NH1 LEU 143.A O no hydrogen 3.534 N/A ARG 169.A NH1 ASN 145.A OD1 no hydrogen 3.518 N/A ARG 169.A NH2 ASP 142.A OD1 no hydrogen 2.852 N/A GLY 170.A N ASP 166.A O no hydrogen 2.937 N/A LYS 171.A N VAL 167.A O no hydrogen 2.845 N/A ALA 172.A N PRO 168.A O no hydrogen 2.982 N/A LEU 173.A N ARG 169.A O no hydrogen 2.987 N/A ILE 174.A N GLY 170.A O no hydrogen 2.994 N/A ASP 175.A N LYS 171.A O no hydrogen 2.875 N/A ALA 176.A N ALA 172.A O no hydrogen 2.798 N/A LEU 177.A N LEU 173.A O no hydrogen 3.190 N/A LYS 180.A N ASN 178.A O no hydrogen 2.170 N/A ALA 182.A N VAL 158.A O no hydrogen 2.879 N/A VAL 183.A N ASP 200.A OD2 no hydrogen 3.404 N/A TYR 184.A N ILE 160.A O no hydrogen 2.869 N/A TYR 184.A OH ILE 2.A O no hydrogen 2.530 N/A SER 185.A N GLY 201.A O no hydrogen 3.043 N/A SER 185.A OG ASN 202.A OD1 no hydrogen 3.402 N/A GLY 186.A N ASP 162.A O no hydrogen 2.898 N/A ASP 187.A N SER 185.A OG no hydrogen 3.193 N/A THR 190.A N ASP 187.A O no hydrogen 2.856 N/A THR 190.A N ASP 187.A OD2 no hydrogen 3.224 N/A THR 190.A OG1 ASP 187.A O no hydrogen 3.438 N/A THR 190.A OG1 ASP 187.A OD2 no hydrogen 2.568 N/A ALA 191.A N ASP 187.A O no hydrogen 2.851 N/A ALA 191.A N ASP 188.A O no hydrogen 3.346 N/A GLU 193.A N THR 190.A O no hydrogen 2.943 N/A LEU 194.A N THR 190.A O no hydrogen 3.137 N/A MET 195.A N ALA 191.A O no hydrogen 2.890 N/A LEU 196.A N TRP 192.A O no hydrogen 3.044 N/A LEU 197.A N GLU 193.A O no hydrogen 3.047 N/A LEU 197.A N LEU 194.A O no hydrogen 3.150 N/A GLY 198.A N MET 195.A O no hydrogen 3.099 N/A ALA 199.A N LEU 194.A O no hydrogen 3.003 N/A ASP 200.A N VAL 183.A O no hydrogen 2.734 N/A ASN 202.A N GLY 4.A O no hydrogen 2.843 N/A ASN 202.A ND2 ASP 188.A OD1 no hydrogen 3.198 N/A ILE 203.A N SER 185.A O no hydrogen 2.934 N/A SER 204.A N ILE 6.A O no hydrogen 2.705 N/A SER 204.A OG ASP 188.A OD1 no hydrogen 2.729 N/A VAL 205.A N ASP 188.A OD2 no hydrogen 2.925 N/A THR 206.A N ASP 188.A OD2 no hydrogen 2.944 N/A THR 206.A OG1 HIS 240.A ND1 no hydrogen 2.781 N/A ALA 207.A N SER 204.A OG no hydrogen 2.735 N/A ASN 208.A N VAL 205.A O no hydrogen 2.973 N/A ASN 208.A ND2 ALA 8.A O no hydrogen 2.900 N/A ASN 208.A ND2 VAL 205.A O no hydrogen 2.726 N/A ILE 209.A N THR 206.A O no hydrogen 2.846 N/A ALA 210.A N THR 206.A O no hydrogen 3.020 N/A MET 214.A N ALA 210.A O no hydrogen 2.948 N/A SER 215.A N PRO 211.A O no hydrogen 2.814 N/A GLU 216.A N LYS 212.A O no hydrogen 3.081 N/A VAL 217.A N ALA 213.A O no hydrogen 3.167 N/A CYS 218.A N MET 214.A O no hydrogen 3.007 N/A CYS 218.A SG MET 214.A O no hydrogen 3.316 N/A ALA 219.A N SER 215.A O no hydrogen 2.928 N/A VAL 220.A N GLU 216.A O no hydrogen 3.108 N/A ALA 221.A N VAL 217.A O no hydrogen 2.895 N/A ILE 222.A N CYS 218.A O no hydrogen 2.871 N/A ALA 223.A N ALA 219.A O no hydrogen 3.072 N/A LYS 224.A N ALA 221.A O no hydrogen 2.895 N/A LYS 224.A NZ MET 195.A O no hydrogen 3.521 N/A LYS 224.A NZ ILE 222.A O no hydrogen 2.722 N/A ASP 225.A N VAL 220.A O no hydrogen 3.003 N/A GLN 228.A N ASP 225.A OD1 no hydrogen 3.176 N/A ALA 229.A N ASP 225.A O no hydrogen 2.834 N/A LYS 230.A N GLU 226.A O no hydrogen 3.028 N/A THR 231.A N GLN 227.A O no hydrogen 3.165 N/A LEU 232.A N GLN 228.A O no hydrogen 2.773 N/A ASN 233.A N ALA 229.A O no hydrogen 3.016 N/A ASN 234.A N LYS 230.A O no hydrogen 2.937 N/A ILE 236.A N ASN 233.A O no hydrogen 2.846 N/A ALA 237.A N ASN 234.A O no hydrogen 3.259 N/A HIS 240.A ND1 THR 206.A OG1 no hydrogen 2.781 N/A HIS 240.A NE2 ASN 233.A OD1 no hydrogen 2.947 N/A ASN 241.A N ALA 237.A O no hydrogen 3.389 N/A ILE 242.A N ASN 238.A O no hydrogen 2.894 N/A LEU 243.A N LEU 239.A O no hydrogen 2.837 N/A PHE 244.A N ASN 241.A O no hydrogen 3.410 N/A CYS 245.A N ILE 242.A O no hydrogen 3.420 N/A CYS 245.A SG ILE 242.A O no hydrogen 3.231 N/A ASN 248.A ND2 THR 45.A OG1 no hydrogen 3.070 N/A ILE 250.A N SER 247.A O no hydrogen 2.788 N/A LYS 253.A N PRO 249.A O no hydrogen 2.821 N/A LYS 253.A NZ THR 11.A O no hydrogen 2.925 N/A LYS 253.A NZ GLU 47.A OE2 no hydrogen 2.867 N/A LYS 253.A NZ GLY 265.A O no hydrogen 2.912 N/A TRP 254.A N PRO 251.A O no hydrogen 3.101 N/A ALA 255.A N PRO 251.A O no hydrogen 2.907 N/A LEU 256.A N VAL 252.A O no hydrogen 3.045 N/A HIS 257.A N LYS 253.A O no hydrogen 3.214 N/A HIS 257.A ND1 ILE 262.A O no hydrogen 3.075 N/A GLU 258.A N TRP 254.A O no hydrogen 2.738 N/A MET 259.A N LEU 256.A O no hydrogen 2.725 N/A GLY 260.A N HIS 257.A O no hydrogen 2.818 N/A LEU 261.A N LEU 256.A O no hydrogen 3.265 N/A THR 264.A N ASP 263.A OD1 no hydrogen 3.094 N/A ARG 267.A N GLU 47.A OE1 no hydrogen 3.227 N/A ARG 267.A NE GLY 17.A O no hydrogen 2.788 N/A ARG 267.A NH1 THR 50.A O no hydrogen 2.878 N/A ARG 267.A NH1 GLU 55.A OE1 no hydrogen 3.138 N/A ARG 267.A NH1 GLU 55.A OE2 no hydrogen 3.003 N/A ARG 267.A NH2 GLY 17.A O no hydrogen 2.735 N/A ARG 267.A NH2 GLU 55.A OE2 no hydrogen 2.679 N/A LEU 270.A N ARG 267.A O no hydrogen 2.801 N/A ALA 274.A N GLU 246.A OE1 no hydrogen 3.193 N/A TYR 277.A N ALA 274.A O no hydrogen 2.913 N/A ARG 278.A N GLU 275.A O no hydrogen 2.903 N/A ARG 278.A NE LEU 273.A O no hydrogen 3.108 N/A ARG 278.A NH2 LEU 273.A O no hydrogen 3.144 N/A LEU 281.A N TYR 277.A O no hydrogen 3.064 N/A LEU 281.A N ARG 278.A O no hydrogen 3.192 N/A ARG 282.A N ARG 278.A O no hydrogen 2.884 N/A ARG 282.A NH1 GLU 279.A OE1 no hydrogen 2.859 N/A ASN 283.A N GLU 279.A O no hydrogen 2.747 N/A ALA 284.A N PRO 280.A O no hydrogen 3.018 N/A LEU 285.A N LEU 281.A O no hydrogen 2.854 N/A LYS 286.A N ARG 282.A O no hydrogen 3.001 N/A LYS 286.A N ASN 283.A O no hydrogen 3.088 N/A ASP 287.A N ASN 283.A O no hydrogen 2.839 N/A ALA 288.A N ALA 284.A O no hydrogen 3.142 N/A GLY 289.A N LYS 286.A O no hydrogen 2.452 N/A ILE 290.A N LEU 285.A O no hydrogen 2.649 N/A ILE 291.A N LEU 285.A O no hydrogen 3.227 N/A