Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pnm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N ASP 1.A O no hydrogen 3.327 N/A GLN 6.A N VAL 2.A O no hydrogen 3.138 N/A LEU 7.A N LEU 3.A O no hydrogen 3.113 N/A ALA 8.A N ASP 4.A O no hydrogen 2.955 N/A GLY 9.A N GLU 5.A O no hydrogen 2.887 N/A LEU 10.A N GLN 6.A O no hydrogen 2.893 N/A ALA 11.A N LEU 7.A O no hydrogen 2.933 N/A LYS 12.A N ALA 8.A O no hydrogen 2.836 N/A ALA 13.A N GLY 9.A O no hydrogen 2.831 N/A HIS 14.A N LEU 10.A O no hydrogen 3.026 N/A HIS 14.A N ALA 11.A O no hydrogen 3.328 N/A LEU 17.A N HIS 14.A O no hydrogen 2.766 N/A THR 18.A N THR 27.A O no hydrogen 2.901 N/A HIS 20.A N TYR 25.A O no hydrogen 2.892 N/A HIS 20.A NE2 THR 27.A OG1 no hydrogen 2.830 N/A TYR 25.A N HIS 20.A O no hydrogen 3.443 N/A VAL 26.A N ALA 63.A O no hydrogen 3.019 N/A THR 27.A N THR 18.A O no hydrogen 3.065 N/A THR 27.A OG1 HIS 20.A NE2 no hydrogen 2.830 N/A THR 27.A OG1 ARG 28.A O no hydrogen 3.335 N/A ARG 28.A N SER 61.A O no hydrogen 2.853 N/A ALA 29.A N SER 16.A O no hydrogen 2.775 N/A ALA 31.A N ARG 28.A O no hydrogen 3.044 N/A GLY 35.A N GLY 86.A O no hydrogen 3.153 N/A LYS 36.A NZ GLU 156.A O no hydrogen 3.101 N/A ALA 38.A N GLY 89.A O no hydrogen 3.029 N/A LEU 39.A N SER 61.A OG no hydrogen 3.362 N/A LEU 40.A N LEU 91.A O no hydrogen 3.031 N/A SER 41.A OG ILE 93.A O no hydrogen 2.807 N/A SER 41.A OG GLU 148.A OE2 no hydrogen 3.492 N/A GLY 42.A N SER 41.A OG no hydrogen 2.825 N/A GLY 43.A N CYS 64.A O no hydrogen 3.094 N/A SER 45.A N GLU 67.A O no hydrogen 2.793 N/A SER 45.A OG GLY 66.A O no hydrogen 3.003 N/A GLY 46.A N GLU 48.A OE1 no hydrogen 2.913 N/A GLY 46.A N GLU 48.A OE2 no hydrogen 3.450 N/A MET 50.A N ALA 47.A O no hydrogen 3.073 N/A HIS 51.A ND1 GLU 148.A OE2 no hydrogen 2.931 N/A GLY 53.A N PRO 49.A O no hydrogen 2.674 N/A TYR 54.A N HIS 51.A O no hydrogen 3.001 N/A TYR 54.A OH TYR 303.A O no hydrogen 2.569 N/A ILE 55.A N CYS 52.A O no hydrogen 3.326 N/A GLY 56.A N LEU 60.A O no hydrogen 2.785 N/A GLN 57.A NE2 GLU 156.A OE2 no hydrogen 3.236 N/A MET 59.A N GLY 56.A O no hydrogen 2.931 N/A LEU 60.A N TYR 54.A O no hydrogen 2.889 N/A SER 61.A N LEU 39.A O no hydrogen 2.678 N/A GLY 62.A N LEU 39.A O no hydrogen 3.440 N/A ALA 63.A N VAL 26.A O no hydrogen 2.776 N/A CYS 64.A N SER 41.A O no hydrogen 3.003 N/A CYS 64.A SG LYS 76.A O no hydrogen 3.504 N/A GLY 66.A N GLY 43.A O no hydrogen 2.799 N/A PHE 69.A N SER 45.A O no hydrogen 3.238 N/A SER 71.A OG PRO 72.A O no hydrogen 3.122 N/A THR 73.A OG1 ASP 75.A OD1 no hydrogen 2.542 N/A LYS 76.A N THR 73.A O no hydrogen 3.141 N/A LYS 76.A NZ PRO 65.A O no hydrogen 2.992 N/A PHE 78.A N PRO 74.A O no hydrogen 2.867 N/A GLU 79.A N ASP 75.A O no hydrogen 3.024 N/A CYS 80.A N LYS 76.A O no hydrogen 3.031 N/A ALA 81.A N ILE 77.A O no hydrogen 2.998 N/A MET 82.A N PHE 78.A O no hydrogen 3.066 N/A GLN 83.A N GLU 79.A O no hydrogen 2.974 N/A GLN 83.A NE2 ALA 31.A O no hydrogen 3.453 N/A VAL 84.A N CYS 80.A O no hydrogen 3.027 N/A GLY 87.A N ASP 85.A OD1 no hydrogen 2.808 N/A VAL 90.A N LYS 117.A O no hydrogen 2.802 N/A LEU 91.A N ALA 38.A O no hydrogen 2.750 N/A LEU 92.A N THR 119.A O no hydrogen 2.865 N/A ILE 93.A N LEU 40.A O no hydrogen 2.913 N/A ILE 94.A N VAL 121.A O no hydrogen 2.739 N/A LYS 95.A NZ GLY 42.A O no hydrogen 3.486 N/A ASN 96.A N ILE 123.A O no hydrogen 3.067 N/A ASN 96.A ND2 ALA 136.A O no hydrogen 2.999 N/A ASN 96.A ND2 ARG 138.A O no hydrogen 2.854 N/A TYR 97.A N LYS 95.A O no hydrogen 3.002 N/A TYR 97.A OH GLY 140.A O no hydrogen 2.717 N/A THR 98.A N TYR 134.A O no hydrogen 2.794 N/A THR 98.A OG1 TYR 134.A O no hydrogen 3.310 N/A ILE 101.A N TYR 97.A O no hydrogen 2.890 N/A LEU 102.A N THR 98.A O no hydrogen 3.125 N/A ASN 103.A N GLY 99.A O no hydrogen 2.952 N/A ASN 103.A ND2 PRO 72.A O no hydrogen 2.556 N/A PHE 104.A N ASP 100.A O no hydrogen 2.849 N/A GLU 105.A N ILE 101.A O no hydrogen 2.949 N/A THR 106.A N LEU 102.A O no hydrogen 3.111 N/A THR 106.A OG1 LEU 102.A O no hydrogen 2.942 N/A ALA 107.A N ASN 103.A O no hydrogen 3.102 N/A THR 108.A N PHE 104.A O no hydrogen 2.957 N/A THR 108.A OG1 PHE 104.A O no hydrogen 2.660 N/A GLU 109.A N GLU 105.A O no hydrogen 3.116 N/A LEU 110.A N THR 106.A O no hydrogen 3.267 N/A LEU 111.A N ALA 107.A O no hydrogen 2.772 N/A HIS 112.A N THR 108.A O no hydrogen 2.919 N/A ASP 113.A N GLU 109.A O no hydrogen 3.047 N/A SER 114.A N LEU 111.A O no hydrogen 3.018 N/A SER 114.A OG LEU 110.A O no hydrogen 2.890 N/A GLY 115.A N HIS 112.A O no hydrogen 3.157 N/A VAL 116.A N LEU 111.A O no hydrogen 3.133 N/A THR 119.A N VAL 90.A O no hydrogen 3.283 N/A THR 119.A OG1 TRP 239.A O no hydrogen 2.713 N/A THR 120.A N THR 119.A OG1 no hydrogen 2.746 N/A VAL 121.A N LEU 92.A O no hydrogen 2.974 N/A ILE 123.A N ILE 94.A O no hydrogen 2.797 N/A ASP 124.A N ASN 172.A OD1 no hydrogen 3.008 N/A ASP 126.A N ARG 139.A O no hydrogen 3.032 N/A VAL 127.A N SER 177.A O no hydrogen 2.802 N/A ALA 128.A N ASP 126.A OD1 no hydrogen 2.965 N/A ASP 131.A N GLY 137.A O no hydrogen 2.903 N/A THR 135.A N SER 132.A O no hydrogen 3.470 N/A THR 135.A OG1 ASN 96.A O no hydrogen 3.036 N/A GLY 137.A N ASP 131.A OD1 no hydrogen 3.099 N/A ARG 138.A NH1 ASN 229.A O no hydrogen 3.356 N/A ARG 138.A NH2 ASN 229.A O no hydrogen 2.828 N/A ARG 139.A NE ASP 126.A OD2 no hydrogen 2.832 N/A ARG 139.A NH1 SER 132.A OG no hydrogen 3.115 N/A ARG 139.A NH1 PRO 205.A O no hydrogen 3.429 N/A ARG 139.A NH2 ASP 126.A OD2 no hydrogen 2.704 N/A ARG 139.A NH2 GLY 198.A O no hydrogen 2.720 N/A VAL 141.A N ASP 125.A OD1 no hydrogen 2.664 N/A ASN 143.A N ASP 125.A OD2 no hydrogen 2.865 N/A THR 144.A N VAL 141.A O no hydrogen 3.033 N/A THR 144.A OG1 VAL 141.A O no hydrogen 2.902 N/A VAL 145.A N ALA 142.A O no hydrogen 3.006 N/A ILE 147.A N ASN 143.A O no hydrogen 3.009 N/A GLU 148.A N THR 144.A O no hydrogen 2.835 N/A LYS 149.A N VAL 145.A O no hydrogen 3.088 N/A LYS 149.A NZ LEU 326.A O no hydrogen 2.620 N/A LYS 149.A NZ TRP 327.A O no hydrogen 3.059 N/A LYS 149.A NZ ALA 329.A O no hydrogen 3.023 N/A LEU 150.A N LEU 146.A O no hydrogen 3.054 N/A VAL 151.A N ILE 147.A O no hydrogen 2.742 N/A GLY 152.A N GLU 148.A O no hydrogen 2.713 N/A ALA 153.A N LYS 149.A O no hydrogen 2.822 N/A ALA 154.A N LEU 150.A O no hydrogen 3.213 N/A ALA 155.A N VAL 151.A O no hydrogen 2.938 N/A GLU 156.A N GLY 152.A O no hydrogen 2.960 N/A ARG 157.A N ALA 153.A O no hydrogen 3.069 N/A ARG 157.A NE ASP 159.A OD1 no hydrogen 3.266 N/A ARG 157.A NE ASP 159.A OD2 no hydrogen 3.379 N/A ARG 157.A NH2 ASP 159.A OD2 no hydrogen 2.926 N/A GLY 158.A N ALA 155.A O no hydrogen 2.820 N/A ASP 159.A N ALA 154.A O no hydrogen 3.111 N/A ALA 163.A N SER 160.A OG no hydrogen 3.362 N/A CYS 164.A N SER 160.A O no hydrogen 2.887 N/A CYS 164.A SG ASP 159.A O no hydrogen 3.865 N/A CYS 164.A SG SER 160.A O no hydrogen 3.507 N/A ALA 165.A N LEU 161.A O no hydrogen 2.857 N/A GLU 166.A N ASP 162.A O no hydrogen 2.838 N/A LEU 167.A N ALA 163.A O no hydrogen 3.005 N/A GLY 168.A N CYS 164.A O no hydrogen 2.836 N/A ARG 169.A N ALA 165.A O no hydrogen 2.847 N/A ARG 169.A NE THR 120.A O no hydrogen 3.226 N/A ARG 169.A NH2 THR 119.A OG1 no hydrogen 2.980 N/A ARG 169.A NH2 THR 120.A O no hydrogen 2.728 N/A LYS 170.A N GLU 166.A O no hydrogen 2.938 N/A LEU 171.A N LEU 167.A O no hydrogen 2.991 N/A ASN 172.A N GLY 168.A O no hydrogen 2.951 N/A ASN 172.A ND2 ASP 124.A OD1 no hydrogen 2.907 N/A ASN 173.A N ARG 169.A O no hydrogen 3.047 N/A ASN 173.A ND2 GLN 251.A OE1 no hydrogen 2.818 N/A GLN 174.A N LEU 171.A O no hydrogen 3.054 N/A HIS 176.A N LEU 316.A O no hydrogen 2.869 N/A SER 177.A N ASP 125.A O no hydrogen 2.910 N/A SER 177.A OG ASP 125.A OD2 no hydrogen 2.707 N/A SER 177.A OG THR 315.A OG1 no hydrogen 2.927 N/A ILE 178.A N ILE 314.A O no hydrogen 3.011 N/A ILE 180.A N PHE 312.A O no hydrogen 2.980 N/A ALA 181.A N GLU 196.A O no hydrogen 3.188 N/A LEU 182.A N THR 310.A O no hydrogen 2.687 N/A GLY 183.A N THR 310.A O no hydrogen 3.304 N/A THR 186.A N ASP 308.A OD1 no hydrogen 2.891 N/A THR 186.A OG1 ASP 308.A OD2 no hydrogen 3.132 N/A ALA 191.A N GLU 194.A OE1 no hydrogen 2.660 N/A MET 195.A N ARG 210.A O no hydrogen 2.831 N/A GLU 196.A N ALA 181.A O no hydrogen 2.787 N/A PHE 197.A N ASP 208.A O no hydrogen 2.857 N/A GLY 198.A N GLY 179.A O no hydrogen 2.839 N/A VAL 199.A N GLY 179.A O no hydrogen 3.160 N/A GLY 200.A N GLU 204.A O no hydrogen 3.145 N/A HIS 202.A N GLU 204.A OE2 no hydrogen 2.844 N/A GLU 204.A N GLU 204.A OE2 no hydrogen 2.603 N/A GLY 206.A N GLU 196.A OE2 no hydrogen 2.859 N/A ILE 207.A N PHE 197.A O no hydrogen 2.547 N/A ARG 209.A NE GLU 196.A OE1 no hydrogen 3.113 N/A ARG 210.A N MET 195.A O no hydrogen 3.023 N/A ARG 210.A NE ASP 208.A OD1 no hydrogen 2.635 N/A ARG 210.A NH1 GLU 221.A OE1 no hydrogen 2.753 N/A ARG 210.A NH2 ASP 208.A OD1 no hydrogen 3.172 N/A ARG 210.A NH2 ASP 208.A OD2 no hydrogen 2.596 N/A PHE 212.A N ASN 193.A O no hydrogen 2.641 N/A SER 214.A OG GLN 217.A OE1 no hydrogen 2.469 N/A THR 218.A N SER 214.A O no hydrogen 3.163 N/A THR 218.A OG1 SER 214.A O no hydrogen 3.154 N/A VAL 219.A N LEU 215.A O no hydrogen 3.167 N/A ASP 220.A N ASP 216.A O no hydrogen 3.076 N/A GLU 221.A N GLN 217.A O no hydrogen 3.132 N/A MET 222.A N THR 218.A O no hydrogen 2.923 N/A PHE 223.A N VAL 219.A O no hydrogen 2.668 N/A ASP 224.A N ASP 220.A O no hydrogen 2.830 N/A THR 225.A N GLU 221.A O no hydrogen 2.920 N/A THR 225.A OG1 GLU 221.A O no hydrogen 2.884 N/A LEU 226.A N MET 222.A O no hydrogen 2.967 N/A LEU 227.A N PHE 223.A O no hydrogen 3.275 N/A VAL 228.A N ASP 224.A O no hydrogen 2.869 N/A ASN 229.A N THR 225.A O no hydrogen 2.986 N/A ASN 229.A ND2 VAL 127.A O no hydrogen 2.847 N/A GLY 230.A N LEU 227.A O no hydrogen 3.202 N/A TYR 232.A N LYS 253.A O no hydrogen 3.357 N/A ARG 234.A N GLN 251.A O no hydrogen 3.025 N/A ARG 234.A NE ASP 124.A OD2 no hydrogen 2.884 N/A ARG 234.A NH1 ASN 173.A OD1 no hydrogen 2.807 N/A ARG 234.A NH1 GLN 251.A O no hydrogen 3.207 N/A ARG 234.A NH2 ASP 124.A OD1 no hydrogen 2.688 N/A ARG 234.A NH2 ASP 124.A OD2 no hydrogen 3.206 N/A ARG 234.A NH2 ASN 173.A OD1 no hydrogen 3.299 N/A LEU 236.A N GLU 249.A O no hydrogen 3.002 N/A ARG 237.A NE GLU 105.A OE2 no hydrogen 2.974 N/A ARG 237.A NH2 GLU 105.A OE1 no hydrogen 2.805 N/A PHE 238.A N GLN 247.A O no hydrogen 2.957 N/A TRP 239.A N THR 120.A OG1 no hydrogen 3.251 N/A ASP 240.A N SER 245.A O no hydrogen 2.839 N/A TYR 241.A OH ASP 162.A OD2 no hydrogen 2.721 N/A GLN 242.A N ASP 240.A OD1 no hydrogen 3.182 N/A GLN 243.A N ASP 240.A OD1 no hydrogen 3.405 N/A GLY 244.A N ASP 240.A O no hydrogen 2.763 N/A SER 245.A N ASP 240.A O no hydrogen 3.212 N/A TRP 246.A NE1 GLU 109.A OE2 no hydrogen 3.127 N/A GLN 247.A N PHE 238.A O no hydrogen 2.862 N/A GLU 249.A N LEU 236.A O no hydrogen 2.917 N/A GLN 251.A N ARG 234.A O no hydrogen 2.929 N/A LYS 253.A N TYR 232.A O no hydrogen 2.798 N/A LYS 253.A NZ GLY 175.A O no hydrogen 2.689 N/A GLN 257.A N ASP 260.A OD2 no hydrogen 2.679 N/A GLY 259.A N GLY 292.A O no hydrogen 2.869 N/A ASP 260.A N GLN 257.A O no hydrogen 2.969 N/A ARG 261.A NE GLU 296.A OE2 no hydrogen 2.554 N/A ARG 261.A NH1 ASP 321.A OD1 no hydrogen 3.565 N/A ARG 261.A NH2 GLU 296.A OE2 no hydrogen 3.399 N/A ARG 261.A NH2 ASP 321.A OD1 no hydrogen 3.086 N/A VAL 262.A N THR 294.A O no hydrogen 2.897 N/A ILE 263.A N LEU 317.A O no hydrogen 2.809 N/A ALA 264.A N ARG 297.A O no hydrogen 2.978 N/A LEU 265.A N THR 315.A O no hydrogen 2.792 N/A VAL 266.A N LEU 299.A O no hydrogen 2.945 N/A ASN 267.A N SER 313.A O no hydrogen 2.974 N/A ASN 267.A ND2 CYS 304.A O no hydrogen 2.766 N/A ASN 267.A ND2 SER 313.A OG no hydrogen 3.425 N/A ASN 268.A N GLY 301.A O no hydrogen 2.839 N/A LEU 269.A N GLY 311.A O no hydrogen 2.932 N/A GLY 270.A N ASN 268.A OD1 no hydrogen 2.853 N/A ALA 271.A N MET 309.A O no hydrogen 2.864 N/A THR 272.A N ASN 268.A OD1 no hydrogen 2.913 N/A THR 272.A OG1 GLY 311.A O no hydrogen 2.754 N/A GLU 276.A N PRO 273.A O no hydrogen 3.081 N/A TYR 278.A N LEU 274.A O no hydrogen 3.334 N/A TYR 278.A N SER 275.A O no hydrogen 3.231 N/A GLY 279.A N SER 275.A O no hydrogen 3.410 N/A VAL 280.A N GLU 276.A O no hydrogen 3.095 N/A TYR 281.A N LEU 277.A O no hydrogen 2.917 N/A ASN 282.A N TYR 278.A O no hydrogen 2.886 N/A ARG 283.A N GLY 279.A O no hydrogen 3.159 N/A ARG 283.A NE ASP 220.A OD2 no hydrogen 3.338 N/A ARG 283.A NH2 ASP 220.A OD2 no hydrogen 2.718 N/A LEU 284.A N VAL 280.A O no hydrogen 2.845 N/A THR 285.A N TYR 281.A O no hydrogen 2.987 N/A THR 285.A OG1 TYR 281.A O no hydrogen 3.409 N/A THR 285.A OG1 ASN 282.A O no hydrogen 2.897 N/A THR 286.A N ASN 282.A O no hydrogen 3.420 N/A THR 286.A OG1 ASN 282.A O no hydrogen 3.151 N/A ARG 287.A N ARG 283.A O no hydrogen 2.992 N/A ARG 287.A NH2 ASP 224.A OD1 no hydrogen 2.709 N/A CYS 288.A N LEU 284.A O no hydrogen 2.880 N/A CYS 288.A SG LEU 284.A O no hydrogen 3.410 N/A GLN 289.A N THR 285.A O no hydrogen 2.892 N/A GLN 290.A N THR 286.A O no hydrogen 3.058 N/A ALA 291.A N ARG 287.A O no hydrogen 3.010 N/A GLY 292.A N GLN 289.A O no hydrogen 3.005 N/A LEU 293.A N CYS 288.A O no hydrogen 2.880 N/A THR 294.A N ASP 260.A O no hydrogen 3.039 N/A GLU 296.A N VAL 262.A O no hydrogen 2.821 N/A ARG 297.A NE ASP 328.A OD1 no hydrogen 2.986 N/A ARG 297.A NH1 GLU 296.A O no hydrogen 2.706 N/A ARG 297.A NH2 ASP 328.A OD2 no hydrogen 3.007 N/A LEU 299.A N ALA 264.A O no hydrogen 2.918 N/A GLY 301.A N VAL 266.A O no hydrogen 3.092 N/A TYR 303.A N ASN 267.A OD1 no hydrogen 2.690 N/A CYS 304.A N ASN 267.A OD1 no hydrogen 2.875 N/A THR 305.A N ALA 47.A O no hydrogen 3.294 N/A THR 305.A OG1 GLY 46.A O no hydrogen 3.547 N/A THR 305.A OG1 GLU 48.A O no hydrogen 2.743 N/A SER 306.A N LEU 269.A O no hydrogen 3.033 N/A SER 306.A OG ILE 201.A O no hydrogen 2.550 N/A LEU 307.A N GLY 46.A O no hydrogen 2.756 N/A MET 309.A N SER 306.A O no hydrogen 3.401 N/A THR 310.A N GLY 183.A O no hydrogen 2.903 N/A PHE 312.A N ILE 180.A O no hydrogen 3.115 N/A SER 313.A N ASN 267.A O no hydrogen 2.861 N/A ILE 314.A N ILE 178.A O no hydrogen 2.870 N/A THR 315.A N LEU 265.A O no hydrogen 2.958 N/A THR 315.A OG1 SER 177.A OG no hydrogen 2.927 N/A LEU 316.A N HIS 176.A O no hydrogen 2.948 N/A LEU 317.A N ILE 263.A O no hydrogen 2.958 N/A LYS 318.A N GLN 174.A O no hydrogen 3.218 N/A LYS 318.A NZ ASP 260.A OD1 no hydrogen 3.059 N/A VAL 319.A N ARG 261.A O no hydrogen 2.817 N/A THR 323.A N ASP 320.A OD1 no hydrogen 3.328 N/A THR 323.A OG1 ASP 320.A O no hydrogen 3.557 N/A THR 323.A OG1 ASP 320.A OD1 no hydrogen 2.557 N/A LEU 324.A N ASP 320.A O no hydrogen 2.859 N/A ALA 325.A N ASP 321.A O no hydrogen 3.014 N/A LEU 326.A N GLU 322.A O no hydrogen 3.281 N/A TRP 327.A N THR 323.A O no hydrogen 2.907 N/A ASP 328.A N LEU 324.A O no hydrogen 2.909 N/A ALA 329.A N ALA 325.A O no hydrogen 3.076 N/A VAL 331.A N TRP 338.A O no hydrogen 2.920 N/A HIS 332.A N GLN 57.A O no hydrogen 2.895 N/A HIS 332.A ND1 ASN 337.A OD1 no hydrogen 2.760 N/A HIS 332.A NE2 LYS 340.A O no hydrogen 3.226 N/A THR 333.A N LEU 336.A O no hydrogen 2.858 N/A THR 333.A OG1 GLY 53.A O no hydrogen 3.064 N/A THR 333.A OG1 LEU 336.A O no hydrogen 2.967 N/A ALA 335.A N GLY 53.A O no hydrogen 2.971 N/A ALA 335.A N THR 333.A OG1 no hydrogen 3.313 N/A LEU 336.A N THR 333.A OG1 no hydrogen 2.829 N/A TRP 338.A N VAL 331.A O no hydrogen 2.999 N/A