Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pnu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 10.A N ASN 8.A O no hydrogen 2.610 N/A MET 10.A N LEU 304.A O no hydrogen 3.355 N/A LYS 11.A N GLU 277.A OE1 no hydrogen 3.202 N/A LEU 12.A N LEU 302.A O no hydrogen 2.728 N/A LYS 13.A N GLN 281.A OE1 no hydrogen 2.872 N/A LYS 13.A NZ ASP 299.A OD1 no hydrogen 3.462 N/A ASN 14.A N LYS 300.A O no hydrogen 3.061 N/A ASN 14.A ND2 ASP 299.A OD2 no hydrogen 3.156 N/A LEU 16.A N LEU 284.A O no hydrogen 2.771 N/A ASP 17.A N ALA 41.A O no hydrogen 3.155 N/A MET 18.A N PHE 242.A O no hydrogen 3.049 N/A HIS 19.A N ASP 17.A OD1 no hydrogen 3.052 N/A HIS 19.A ND1 GLU 172.A OE1 no hydrogen 2.793 N/A LEU 20.A N VAL 43.A O no hydrogen 2.939 N/A HIS 21.A N SER 246.A O no hydrogen 3.172 N/A ARG 23.A NE PRO 248.A O no hydrogen 3.397 N/A ARG 23.A NH2 PRO 248.A O no hydrogen 3.214 N/A ASN 25.A N ASP 24.A OD1 no hydrogen 2.643 N/A LEU 28.A N ASP 24.A O no hydrogen 3.132 N/A GLU 29.A N ASN 25.A O no hydrogen 3.454 N/A LEU 30.A N MET 27.A O no hydrogen 3.030 N/A ILE 31.A N MET 27.A O no hydrogen 3.080 N/A ALA 32.A N LEU 28.A O no hydrogen 2.928 N/A LEU 34.A N ILE 31.A O no hydrogen 2.760 N/A SER 35.A N ALA 32.A O no hydrogen 3.108 N/A ALA 36.A N ALA 32.A O no hydrogen 2.870 N/A ARG 37.A N PRO 33.A O no hydrogen 3.186 N/A ASP 38.A N SER 35.A O no hydrogen 2.958 N/A PHE 39.A N SER 35.A O no hydrogen 2.944 N/A CYS 40.A N PRO 15.A O no hydrogen 3.141 N/A CYS 40.A SG PRO 15.A O no hydrogen 3.436 N/A ALA 42.A N THR 75.A O no hydrogen 3.259 N/A VAL 43.A N ASP 17.A O no hydrogen 2.887 N/A ILE 44.A N LEU 77.A O no hydrogen 2.811 N/A MET 45.A N LEU 20.A O no hydrogen 2.947 N/A ASN 47.A ND2 THR 108.A O no hydrogen 2.991 N/A LEU 48.A N PRO 46.A O no hydrogen 2.702 N/A LEU 52.A N PRO 46.A O no hydrogen 3.367 N/A CYS 53.A SG PRO 51.A O no hydrogen 3.397 N/A ASN 54.A ND2 ASP 57.A OD2 no hydrogen 2.705 N/A ASP 57.A N ASN 54.A OD1 no hydrogen 2.882 N/A LEU 58.A N ASN 54.A O no hydrogen 3.167 N/A LYS 59.A N LEU 55.A O no hydrogen 2.796 N/A ALA 60.A N GLU 56.A O no hydrogen 2.975 N/A TYR 61.A N ASP 57.A O no hydrogen 2.860 N/A TYR 61.A OH ARG 23.A O no hydrogen 2.701 N/A LYS 62.A N LEU 58.A O no hydrogen 2.835 N/A MET 63.A N LYS 59.A O no hydrogen 2.849 N/A ARG 64.A N ALA 60.A O no hydrogen 3.097 N/A ARG 64.A NE ASP 24.A OD1 no hydrogen 2.836 N/A ARG 64.A NH2 ASP 24.A OD2 no hydrogen 2.833 N/A ILE 65.A N TYR 61.A O no hydrogen 2.813 N/A LEU 66.A N LYS 62.A O no hydrogen 2.785 N/A LYS 67.A N MET 63.A O no hydrogen 2.994 N/A ALA 68.A N ARG 64.A O no hydrogen 3.061 N/A CYS 69.A N ILE 65.A O no hydrogen 3.087 N/A CYS 69.A SG ILE 65.A O no hydrogen 3.009 N/A LYS 70.A N LEU 66.A O no hydrogen 3.179 N/A THR 75.A N CYS 40.A O no hydrogen 2.688 N/A LEU 77.A N ALA 42.A O no hydrogen 2.669 N/A THR 79.A OG1 ILE 44.A O no hydrogen 2.764 N/A LEU 80.A N GLY 99.A O no hydrogen 3.296 N/A PHE 81.A N LEU 52.A O no hydrogen 2.822 N/A TYR 85.A N LYS 83.A O no hydrogen 2.845 N/A TYR 85.A OH PHE 81.A O no hydrogen 2.696 N/A PHE 89.A N ASP 86.A OD1 no hydrogen 2.614 N/A LEU 90.A N ASP 86.A O no hydrogen 3.027 N/A TYR 91.A N GLU 87.A O no hydrogen 2.815 N/A SER 92.A OG PHE 89.A O no hydrogen 2.781 N/A ALA 93.A N LEU 90.A O no hydrogen 3.054 N/A LYS 94.A N LEU 90.A O no hydrogen 3.000 N/A LYS 94.A NZ ASP 95.A OD1 no hydrogen 3.307 N/A LYS 94.A NZ ASP 95.A OD2 no hydrogen 2.820 N/A GLU 96.A N ALA 93.A O no hydrogen 2.803 N/A ILE 97.A N ALA 93.A O no hydrogen 3.006 N/A PHE 98.A N MET 78.A O no hydrogen 2.711 N/A ILE 100.A N PRO 135.A O no hydrogen 3.266 N/A ALA 104.A N VAL 114.A O no hydrogen 2.520 N/A GLY 105.A N SER 110.A O no hydrogen 3.106 N/A THR 107.A N SER 110.A OG no hydrogen 3.231 N/A ASN 109.A ND2 ASN 47.A O no hydrogen 3.021 N/A SER 110.A OG THR 107.A O no hydrogen 2.817 N/A GLY 113.A N SER 110.A O no hydrogen 2.701 N/A VAL 114.A N TYR 102.A O no hydrogen 2.978 N/A ASP 118.A N SER 116.A OG no hydrogen 3.308 N/A TYR 121.A N ASP 118.A OD1 no hydrogen 3.070 N/A LEU 122.A N ASP 118.A O no hydrogen 3.288 N/A LYS 123.A N GLU 120.A O no hydrogen 3.271 N/A LYS 123.A NZ GLU 120.A OE2 no hydrogen 3.278 N/A THR 125.A OG1 TYR 85.A O no hydrogen 2.643 N/A LEU 126.A N LEU 122.A O no hydrogen 3.094 N/A GLU 127.A N LYS 123.A O no hydrogen 2.957 N/A ALA 128.A N PRO 124.A O no hydrogen 3.135 N/A MET 129.A N THR 125.A O no hydrogen 2.942 N/A SER 130.A N LEU 126.A O no hydrogen 2.916 N/A ASP 131.A N GLU 127.A O no hydrogen 2.832 N/A LEU 132.A N ALA 128.A O no hydrogen 2.738 N/A ASN 133.A N SER 130.A O no hydrogen 3.079 N/A ILE 134.A N MET 129.A O no hydrogen 2.761 N/A LEU 136.A N LYS 168.A O no hydrogen 2.880 N/A LEU 137.A N ILE 100.A O no hydrogen 2.996 N/A VAL 138.A N VAL 170.A O no hydrogen 3.019 N/A HIS 139.A N LEU 101.A O no hydrogen 3.014 N/A HIS 139.A NE2 GLU 141.A OE1 no hydrogen 2.851 N/A GLU 141.A N HIS 139.A O no hydrogen 3.190 N/A THR 142.A N ARG 149.A O no hydrogen 3.058 N/A THR 142.A OG1 ASP 144.A OD2 no hydrogen 2.828 N/A THR 142.A OG1 ARG 149.A O no hydrogen 3.443 N/A ASP 144.A N THR 142.A OG1 no hydrogen 3.349 N/A ASP 148.A N PHE 145.A O no hydrogen 2.742 N/A ARG 149.A NE ASP 144.A O no hydrogen 2.988 N/A SER 151.A OG THR 178.A OG1 no hydrogen 2.876 N/A ASN 152.A N ASP 148.A O no hydrogen 2.903 N/A ASN 152.A ND2 ASP 144.A OD2 no hydrogen 2.976 N/A PHE 153.A N GLU 150.A O no hydrogen 2.896 N/A ALA 154.A N SER 151.A O no hydrogen 3.186 N/A ILE 156.A N PHE 153.A O no hydrogen 2.982 N/A TYR 157.A N PHE 153.A O no hydrogen 3.218 N/A TYR 157.A OH VAL 138.A O no hydrogen 3.224 N/A GLU 158.A N ALA 154.A O no hydrogen 2.952 N/A LYS 159.A N LYS 155.A O no hydrogen 3.078 N/A LYS 159.A NZ PHE 117.A O no hydrogen 2.621 N/A LEU 160.A N ILE 156.A O no hydrogen 2.995 N/A ALA 161.A N TYR 157.A O no hydrogen 3.012 N/A LYS 162.A N GLU 158.A O no hydrogen 3.046 N/A HIS 163.A N LYS 159.A O no hydrogen 2.903 N/A HIS 163.A ND1 LYS 159.A O no hydrogen 3.048 N/A PHE 164.A N LEU 160.A O no hydrogen 2.898 N/A LEU 167.A N PHE 164.A O no hydrogen 3.065 N/A LYS 168.A NZ ILE 291.A O no hydrogen 3.161 N/A ILE 169.A N ASN 188.A O no hydrogen 2.943 N/A VAL 170.A N LEU 136.A O no hydrogen 2.776 N/A MET 171.A N TYR 190.A O no hydrogen 2.888 N/A GLU 172.A N VAL 138.A O no hydrogen 3.096 N/A HIS 173.A N THR 192.A OG1 no hydrogen 2.977 N/A HIS 173.A ND1 HIS 173.A O no hydrogen 2.759 N/A HIS 173.A NE2 HIS 139.A ND1 no hydrogen 3.078 N/A ILE 174.A N THR 192.A O no hydrogen 3.143 N/A THR 175.A N GLU 150.A OE1 no hydrogen 2.964 N/A THR 175.A N GLU 150.A OE2 no hydrogen 3.063 N/A THR 175.A OG1 GLU 150.A OE2 no hydrogen 2.441 N/A THR 176.A OG1 GLU 150.A OE1 no hydrogen 2.720 N/A LYS 177.A N ASP 225.A OD1 no hydrogen 2.861 N/A THR 178.A OG1 SER 151.A OG no hydrogen 2.876 N/A LEU 179.A N THR 176.A O no hydrogen 3.203 N/A LEU 179.A N THR 176.A OG1 no hydrogen 3.069 N/A CYS 180.A N THR 176.A O no hydrogen 3.093 N/A CYS 180.A SG THR 176.A O no hydrogen 3.296 N/A GLU 181.A N LYS 177.A O no hydrogen 2.921 N/A LEU 182.A N THR 178.A O no hydrogen 3.011 N/A LEU 183.A N LEU 179.A O no hydrogen 3.087 N/A LYS 184.A N GLU 181.A O no hydrogen 3.028 N/A ASP 185.A N LEU 182.A O no hydrogen 2.977 N/A TYR 186.A OH GLU 158.A OE2 no hydrogen 2.626 N/A ASN 188.A ND2 ALA 161.A O no hydrogen 3.382 N/A ASN 188.A ND2 LEU 167.A O no hydrogen 3.180 N/A LEU 189.A N TYR 186.A O no hydrogen 3.142 N/A TYR 190.A N ILE 169.A O no hydrogen 2.950 N/A ALA 191.A N LYS 239.A O no hydrogen 2.972 N/A THR 192.A N MET 171.A O no hydrogen 3.232 N/A THR 192.A OG1 GLU 172.A OE1 no hydrogen 2.428 N/A ILE 193.A N MET 241.A O no hydrogen 3.009 N/A THR 194.A OG1 HIS 197.A ND1 no hydrogen 2.671 N/A HIS 197.A N THR 194.A OG1 no hydrogen 2.955 N/A HIS 197.A ND1 THR 194.A OG1 no hydrogen 2.671 N/A HIS 197.A NE2 PRO 218.A O no hydrogen 2.896 N/A LEU 198.A N LEU 195.A O no hydrogen 3.019 N/A ILE 199.A N HIS 196.A O no hydrogen 2.783 N/A ILE 200.A N HIS 196.A O no hydrogen 2.861 N/A THR 201.A N ASP 204.A OD2 no hydrogen 2.920 N/A LEU 202.A N LYS 221.A O no hydrogen 2.845 N/A ASP 203.A N THR 201.A OG1 no hydrogen 3.194 N/A ASP 204.A N THR 201.A O no hydrogen 3.015 N/A VAL 205.A N LEU 202.A O no hydrogen 2.917 N/A ILE 206.A N LEU 202.A O no hydrogen 2.889 N/A GLY 207.A N ASP 203.A O no hydrogen 2.693 N/A ASN 211.A N.A VAL 205.A O no hydrogen 2.995 N/A ASN 211.A N.B VAL 205.A O no hydrogen 2.969 N/A HIS 213.A N.A ASN 211.A OD1.A no hydrogen 3.192 N/A HIS 213.A N.B ASN 211.A OD1.A no hydrogen 3.175 N/A LEU 214.A N ASN 211.A O.A no hydrogen 2.858 N/A LEU 214.A N ASN 211.A O.B no hydrogen 2.880 N/A PHE 215.A N PRO 212.A O no hydrogen 3.189 N/A CYS 216.A SG HIS 196.A NE2 no hydrogen 3.522 N/A CYS 216.A SG HIS 197.A NE2 no hydrogen 3.792 N/A CYS 216.A SG PRO 218.A O no hydrogen 3.615 N/A LYS 221.A NZ THR 175.A OG1 no hydrogen 2.880 N/A LYS 221.A NZ ILE 219.A O no hydrogen 2.668 N/A ARG 222.A N ASP 225.A OD2 no hydrogen 3.055 N/A TYR 223.A OH.A ASP 203.A OD2 no hydrogen 2.323 N/A ASP 225.A N ARG 222.A O no hydrogen 2.962 N/A LYS 226.A N ARG 222.A O no hydrogen 3.058 N/A LYS 226.A NZ ILE 199.A O no hydrogen 2.910 N/A GLU 227.A N.A TYR 223.A O.A no hydrogen 3.006 N/A GLU 227.A N.A TYR 223.A O.B no hydrogen 2.957 N/A GLU 227.A N.B TYR 223.A O.A no hydrogen 2.983 N/A GLU 227.A N.B TYR 223.A O.B no hydrogen 2.932 N/A ALA 228.A N GLU 224.A O no hydrogen 3.155 N/A LEU 229.A N ASP 225.A O no hydrogen 3.128 N/A CYS 230.A N LYS 226.A O no hydrogen 2.906 N/A CYS 230.A SG LEU 198.A O no hydrogen 3.181 N/A CYS 230.A SG LYS 226.A O no hydrogen 3.356 N/A GLU 231.A N GLU 227.A O.A no hydrogen 2.879 N/A GLU 231.A N GLU 227.A O.B no hydrogen 2.968 N/A LEU 232.A N ALA 228.A O no hydrogen 3.214 N/A ALA 233.A N LEU 229.A O no hydrogen 3.013 N/A PHE 234.A N CYS 230.A O no hydrogen 2.691 N/A SER 235.A N GLU 231.A O no hydrogen 3.175 N/A SER 235.A OG GLU 231.A O no hydrogen 2.803 N/A SER 235.A OG LEU 232.A O no hydrogen 3.100 N/A GLY 236.A N ALA 233.A O no hydrogen 2.921 N/A TYR 237.A N LEU 232.A O no hydrogen 3.142 N/A TYR 237.A N SER 235.A OG no hydrogen 3.384 N/A LYS 239.A NZ LEU 183.A O no hydrogen 2.747 N/A LYS 239.A NZ LEU 189.A O no hydrogen 2.808 N/A VAL 240.A N TYR 237.A O no hydrogen 3.122 N/A MET 241.A N ALA 191.A O no hydrogen 2.891 N/A PHE 242.A N PHE 283.A O no hydrogen 2.867 N/A GLY 243.A N ILE 193.A O no hydrogen 2.968 N/A SER 244.A N ASP 17.A OD1 no hydrogen 3.026 N/A SER 244.A OG ASP 17.A OD1 no hydrogen 3.344 N/A SER 244.A OG ASP 17.A OD2 no hydrogen 2.636 N/A SER 244.A OG HIS 19.A O no hydrogen 3.188 N/A ASP 245.A N HIS 19.A O no hydrogen 2.712 N/A SER 246.A N SER 244.A OG no hydrogen 2.857 N/A ALA 247.A N VAL 257.A O no hydrogen 2.755 N/A HIS 249.A NE2 ALA 255.A O no hydrogen 2.489 N/A LYS 251.A N GLN 321.A O no hydrogen 3.157 N/A CYS 253.A SG PRO 212.A O no hydrogen 4.041 N/A CYS 253.A SG ALA 254.A O no hydrogen 3.319 N/A GLY 256.A N PHE 215.A O no hydrogen 2.883 N/A ALA 260.A N SER 246.A OG no hydrogen 3.151 N/A VAL 262.A N SER 259.A O no hydrogen 2.959 N/A ILE 263.A N ALA 260.A O no hydrogen 3.528 N/A VAL 266.A N VAL 262.A O no hydrogen 3.088 N/A LEU 267.A N ILE 263.A O no hydrogen 2.741 N/A ALA 268.A N LEU 264.A O no hydrogen 2.733 N/A GLU 269.A N PRO 265.A O no hydrogen 2.948 N/A LEU 270.A N VAL 266.A O no hydrogen 3.062 N/A PHE 271.A N LEU 267.A O no hydrogen 2.901 N/A LYS 272.A N ALA 268.A O no hydrogen 3.140 N/A LYS 272.A NZ ASN 8.A OD1 no hydrogen 2.919 N/A GLN 273.A N GLU 269.A O no hydrogen 3.176 N/A GLN 273.A NE2 GLU 269.A OE1 no hydrogen 2.876 N/A ASN 274.A N LEU 270.A O no hydrogen 3.024 N/A SER 275.A N PHE 271.A O no hydrogen 2.553 N/A SER 275.A OG PHE 234.A O no hydrogen 2.444 N/A ASN 279.A N SER 276.A OG no hydrogen 3.017 N/A ASN 279.A ND2 PHE 234.A O no hydrogen 2.969 N/A LEU 280.A N SER 276.A O no hydrogen 3.094 N/A GLN 281.A N GLU 277.A O no hydrogen 3.020 N/A GLN 281.A NE2 LYS 13.A O no hydrogen 2.886 N/A GLN 281.A NE2 ASP 286.A OD1 no hydrogen 2.803 N/A LYS 282.A N GLU 278.A O no hydrogen 2.957 N/A PHE 283.A N ASN 279.A O no hydrogen 2.995 N/A LEU 284.A N LEU 280.A O no hydrogen 2.894 N/A SER 285.A N GLN 281.A O no hydrogen 3.091 N/A SER 285.A OG LYS 13.A O no hydrogen 3.240 N/A SER 285.A OG ASN 14.A O no hydrogen 2.484 N/A ASP 286.A N GLN 281.A O no hydrogen 2.979 N/A ASN 287.A N LYS 282.A O no hydrogen 2.908 N/A ASN 287.A ND2 GLY 236.A O no hydrogen 3.119 N/A ASN 287.A ND2 VAL 240.A O no hydrogen 2.852 N/A CYS 289.A N SER 285.A O no hydrogen 2.944 N/A CYS 289.A SG SER 285.A O no hydrogen 3.362 N/A LYS 290.A N ASP 286.A O no hydrogen 2.865 N/A ILE 291.A N ASN 287.A O no hydrogen 2.944 N/A TYR 292.A N THR 288.A O no hydrogen 3.060 N/A ASP 293.A N CYS 289.A O no hydrogen 2.746 N/A LEU 294.A N CYS 289.A O no hydrogen 3.120 N/A LYS 300.A N ASN 14.A OD1 no hydrogen 2.761 N/A LYS 300.A NZ ALA 36.A O no hydrogen 2.789 N/A LYS 300.A NZ ARG 37.A O no hydrogen 3.519 N/A LYS 300.A NZ PHE 39.A O no hydrogen 3.167 N/A LYS 300.A NZ ASN 73.A O no hydrogen 2.666 N/A LEU 302.A N LEU 12.A O no hydrogen 2.888 N/A LEU 304.A N MET 10.A O no hydrogen 2.838 N/A GLU 305.A N GLN 334.A O no hydrogen 2.834 N/A LYS 307.A N GLU 305.A O no hydrogen 2.965 N/A LYS 307.A NZ GLU 305.A OE1 no hydrogen 2.876 N/A TRP 309.A N LEU 331.A O no hydrogen 3.286 N/A TRP 309.A NE1 PHE 333.A O no hydrogen 2.744 N/A GLN 310.A NE2 GLY 328.A O no hydrogen 3.421 N/A VAL 311.A N GLU 329.A O no hydrogen 2.925 N/A TYR 315.A N VAL 322.A O no hydrogen 2.905 N/A TYR 319.A N ASP 317.A OD2 no hydrogen 2.992 N/A ASN 320.A N ASP 317.A OD2 no hydrogen 2.737 N/A TYR 325.A N PHE 258.A O no hydrogen 2.844 N/A ALA 327.A N PRO 324.A O no hydrogen 3.330 N/A GLY 328.A N VAL 311.A O no hydrogen 2.935 N/A GLU 329.A N MET 326.A O no hydrogen 2.827 N/A LEU 331.A N TRP 309.A O no hydrogen 3.057 N/A LYS 332.A NZ GLU 269.A OE2 no hydrogen 3.563 N/A GLN 334.A N GLU 305.A O no hydrogen 2.788 N/A