Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pnd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N VAL 18.A O no hydrogen 2.807 N/A LEU 5.A N VAL 16.A O no hydrogen 2.685 N/A GLY 7.A N TRP 14.A O no hydrogen 3.121 N/A THR 9.A N THR 12.A O no hydrogen 3.026 N/A THR 12.A N THR 9.A O no hydrogen 2.864 N/A LEU 13.A N THR 12.A OG1 no hydrogen 2.703 N/A TRP 14.A N GLY 7.A O no hydrogen 2.886 N/A TRP 14.A NE1 GLN 34.A OE1 no hydrogen 3.017 N/A ARG 15.A N SER 178.A O no hydrogen 2.904 N/A ARG 15.A NE SER 178.A OG no hydrogen 3.264 N/A VAL 16.A N LEU 5.A O no hydrogen 2.819 N/A SER 17.A N LEU 176.A O no hydrogen 2.844 N/A VAL 18.A N GLN 3.A O no hydrogen 2.829 N/A VAL 19.A N ARG 174.A O no hydrogen 3.035 N/A ALA 26.A N ASP 22.A O no hydrogen 3.096 N/A ALA 27.A N ALA 23.A O no hydrogen 3.086 N/A LEU 29.A N ARG 25.A O no hydrogen 2.929 N/A GLN 30.A N ALA 26.A O no hydrogen 2.949 N/A GLN 30.A NE2 GLU 6.A O no hydrogen 3.001 N/A THR 31.A OG1 ALA 27.A O no hydrogen 3.485 N/A LYS 32.A N GLU 28.A O no hydrogen 3.317 N/A ILE 33.A N LEU 29.A O no hydrogen 2.809 N/A GLN 34.A N GLN 30.A O no hydrogen 2.986 N/A GLN 34.A NE2 LYS 8.A O no hydrogen 2.995 N/A GLN 34.A NE2 ASP 38.A OD1 no hydrogen 3.293 N/A THR 35.A N THR 31.A O no hydrogen 3.007 N/A THR 35.A OG1 THR 31.A O no hydrogen 2.841 N/A GLN 36.A N LYS 32.A O no hydrogen 3.251 N/A GLN 36.A NE2 HIS 162.A O no hydrogen 3.109 N/A LEU 37.A N ILE 33.A O no hydrogen 2.992 N/A ASP 38.A N GLN 34.A O no hydrogen 2.798 N/A ALA 39.A N THR 35.A O no hydrogen 3.101 N/A ASP 40.A N GLN 36.A O no hydrogen 2.940 N/A ASP 41.A N LEU 37.A O no hydrogen 2.849 N/A TRP 42.A N ASP 38.A O no hydrogen 2.881 N/A LEU 43.A N ASP 40.A O no hydrogen 3.225 N/A LEU 44.A N ASP 40.A O no hydrogen 3.078 N/A SER 45.A N ASP 41.A O no hydrogen 3.081 N/A TYR 47.A N SER 45.A OG no hydrogen 3.016 N/A SER 51.A N LYS 48.A O no hydrogen 3.160 N/A SER 51.A OG SER 45.A O no hydrogen 2.707 N/A SER 51.A OG LYS 48.A O no hydrogen 2.998 N/A ALA 52.A N TRP 42.A O no hydrogen 3.264 N/A LEU 53.A N LEU 43.A O no hydrogen 3.233 N/A MET 54.A N SER 51.A OG no hydrogen 3.282 N/A ARG 55.A N SER 51.A O no hydrogen 2.906 N/A PHE 56.A N ALA 52.A O no hydrogen 3.274 N/A ASN 57.A N LEU 53.A O no hydrogen 2.927 N/A HIS 58.A N MET 54.A O no hydrogen 2.861 N/A SER 59.A N PHE 56.A O no hydrogen 3.271 N/A SER 61.A N SER 59.A OG no hydrogen 3.353 N/A ALA 63.A N SER 61.A OG no hydrogen 3.207 N/A TRP 65.A N LEU 140.A O no hydrogen 2.718 N/A VAL 67.A N GLN 138.A O no hydrogen 3.068 N/A MET 71.A N SER 68.A OG no hydrogen 3.170 N/A ALA 72.A N SER 68.A O no hydrogen 3.052 N/A ASP 73.A N GLU 69.A O no hydrogen 3.032 N/A ILE 74.A N ALA 70.A O no hydrogen 2.837 N/A VAL 75.A N MET 71.A O no hydrogen 3.053 N/A THR 76.A N ALA 72.A O no hydrogen 2.914 N/A THR 76.A OG1 ALA 72.A O no hydrogen 2.737 N/A SER 77.A N ASP 73.A O no hydrogen 2.905 N/A SER 77.A OG ASP 73.A O no hydrogen 3.354 N/A ALA 78.A N ILE 74.A O no hydrogen 2.934 N/A LEU 79.A N VAL 75.A O no hydrogen 2.832 N/A ARG 80.A N THR 76.A O no hydrogen 3.241 N/A ILE 81.A N SER 77.A O no hydrogen 3.101 N/A GLY 82.A N ALA 78.A O no hydrogen 2.906 N/A ALA 83.A N LEU 79.A O no hydrogen 3.018 N/A LYS 84.A N ARG 80.A O no hydrogen 2.973 N/A THR 85.A N ILE 81.A O no hydrogen 2.996 N/A THR 85.A OG1 ILE 81.A O no hydrogen 2.966 N/A THR 85.A OG1 GLY 82.A O no hydrogen 2.977 N/A ASP 86.A N ALA 83.A O no hydrogen 3.196 N/A GLY 87.A N GLY 82.A O no hydrogen 2.799 N/A ALA 88.A N THR 85.A O no hydrogen 3.237 N/A MET 89.A N THR 85.A OG1 no hydrogen 3.279 N/A THR 92.A N ASP 90.A OD1 no hydrogen 2.952 N/A THR 92.A OG1 ASP 90.A OD1 no hydrogen 2.625 N/A THR 92.A OG1 ASP 90.A OD2 no hydrogen 3.559 N/A VAL 93.A N ASP 90.A O no hydrogen 3.143 N/A LEU 96.A N VAL 93.A O no hydrogen 3.015 N/A VAL 97.A N VAL 93.A O no hydrogen 3.065 N/A ASN 98.A N GLY 94.A O no hydrogen 2.862 N/A LEU 99.A N PRO 95.A O no hydrogen 2.980 N/A TRP 100.A N LEU 96.A O no hydrogen 3.114 N/A TRP 100.A NE1 GLY 246.A O no hydrogen 2.995 N/A GLY 101.A N ASN 98.A O no hydrogen 3.297 N/A PHE 102.A N VAL 97.A O no hydrogen 2.925 N/A GLN 107.A NE2 GLY 101.A O no hydrogen 3.344 N/A THR 113.A N GLN 116.A OE1 no hydrogen 2.852 N/A THR 113.A OG1 GLN 116.A OE1 no hydrogen 2.743 N/A ILE 117.A N THR 113.A O no hydrogen 2.921 N/A ASP 118.A N PRO 114.A O no hydrogen 3.191 N/A ALA 119.A N ALA 115.A O no hydrogen 2.979 N/A ALA 120.A N GLN 116.A O no hydrogen 3.012 N/A LYS 121.A N ILE 117.A O no hydrogen 2.965 N/A LYS 121.A NZ GLN 244.A O no hydrogen 2.875 N/A LYS 123.A N ALA 120.A O no hydrogen 2.918 N/A LYS 123.A NZ ASP 146.A OD2 no hydrogen 3.414 N/A THR 124.A OG1 LYS 121.A O no hydrogen 2.827 N/A GLY 125.A N THR 92.A OG1 no hydrogen 2.830 N/A HIS 128.A N GLY 125.A O no hydrogen 3.304 N/A HIS 128.A ND1 ASP 143.A OD1 no hydrogen 2.780 N/A LEU 129.A N LEU 126.A O no hydrogen 3.522 N/A GLN 130.A N GLN 141.A O no hydrogen 2.913 N/A GLN 130.A NE2 GLN 141.A OE1 no hydrogen 2.752 N/A ILE 132.A N PHE 139.A O no hydrogen 2.849 N/A ARG 134.A N HIS 137.A O no hydrogen 2.903 N/A PHE 139.A N ILE 132.A O no hydrogen 2.770 N/A LEU 140.A N TRP 65.A O no hydrogen 2.885 N/A GLN 141.A N GLN 130.A O no hydrogen 2.940 N/A GLN 141.A NE2 LEU 62.A O no hydrogen 2.909 N/A LYS 142.A NZ PHE 56.A O no hydrogen 2.867 N/A LYS 142.A NZ SER 59.A O no hydrogen 2.689 N/A ASP 143.A N HIS 128.A O no hydrogen 3.131 N/A LEU 147.A N LEU 144.A O no hydrogen 3.103 N/A ASP 150.A N ILE 91.A O no hydrogen 2.682 N/A SER 152.A N ASP 150.A OD2 no hydrogen 3.155 N/A SER 152.A OG ASP 150.A OD1 no hydrogen 3.500 N/A SER 152.A OG ASP 150.A OD2 no hydrogen 2.569 N/A THR 153.A OG1 ASP 267.A O no hydrogen 3.223 N/A THR 153.A OG1 THR 271.A OG1 no hydrogen 2.554 N/A VAL 154.A N LEU 151.A O no hydrogen 3.134 N/A GLY 155.A N LEU 151.A O no hydrogen 2.941 N/A GLU 156.A N GLU 156.A OE2 no hydrogen 2.762 N/A GLY 157.A N ASP 267.A OD2 no hydrogen 3.071 N/A TYR 158.A N VAL 154.A O no hydrogen 3.002 N/A ALA 159.A N GLY 155.A O no hydrogen 2.811 N/A ALA 160.A N GLU 156.A O no hydrogen 2.950 N/A ASP 161.A N GLY 157.A O no hydrogen 3.134 N/A HIS 162.A N TYR 158.A O no hydrogen 2.767 N/A HIS 162.A ND1 ASP 40.A OD1 no hydrogen 3.053 N/A HIS 162.A ND1 ASP 40.A OD2 no hydrogen 3.009 N/A LEU 163.A N ALA 159.A O no hydrogen 3.043 N/A ALA 164.A N ALA 160.A O no hydrogen 3.097 N/A ARG 165.A N ASP 161.A O no hydrogen 3.025 N/A LEU 166.A N HIS 162.A O no hydrogen 3.211 N/A MET 167.A N LEU 163.A O no hydrogen 3.155 N/A GLU 168.A N ALA 164.A O no hydrogen 3.398 N/A GLN 169.A N ARG 165.A O no hydrogen 3.012 N/A GLU 170.A N LEU 166.A O no hydrogen 2.831 N/A GLY 171.A N GLU 168.A O no hydrogen 3.097 N/A ILE 172.A N MET 167.A O no hydrogen 2.683 N/A ARG 174.A NE MET 188.A O no hydrogen 3.353 N/A ARG 174.A NH2 ASN 189.A O no hydrogen 2.694 N/A TYR 175.A N ARG 186.A O no hydrogen 2.884 N/A LEU 176.A N SER 17.A O no hydrogen 2.881 N/A VAL 177.A N SER 184.A O no hydrogen 2.741 N/A SER 178.A N ARG 15.A O no hydrogen 2.852 N/A VAL 179.A N ALA 182.A O no hydrogen 2.968 N/A GLY 180.A N LEU 13.A O no hydrogen 2.922 N/A ALA 182.A N VAL 179.A O no hydrogen 3.188 N/A LEU 183.A N ILE 220.A O no hydrogen 2.766 N/A SER 184.A N VAL 177.A O no hydrogen 2.756 N/A SER 184.A OG HIS 218.A O no hydrogen 3.015 N/A SER 185.A OG ASN 216.A OD1 no hydrogen 2.668 N/A ARG 186.A N TYR 175.A O no hydrogen 2.896 N/A ASN 189.A N GLN 193.A O no hydrogen 2.622 N/A GLY 192.A N ASN 189.A O no hydrogen 2.918 N/A TRP 195.A NE1 ARG 186.A O no hydrogen 2.789 N/A ARG 196.A NH1 PRO 194.A O no hydrogen 3.245 N/A VAL 197.A N VAL 213.A O no hydrogen 3.282 N/A ILE 199.A N ALA 211.A O no hydrogen 2.766 N/A GLN 200.A NE2 GLN 210.A OE1 no hydrogen 2.975 N/A LYS 201.A N VAL 209.A O no hydrogen 3.171 N/A THR 203.A N TYR 226.A OH no hydrogen 2.864 N/A ASN 207.A N ASP 204.A O no hydrogen 3.284 N/A ALA 211.A N ILE 199.A O no hydrogen 2.819 N/A VAL 213.A N VAL 197.A O no hydrogen 2.947 N/A ASP 214.A N PHE 313.A O no hydrogen 2.826 N/A ASN 216.A N ASP 214.A OD2 no hydrogen 3.063 N/A ASN 216.A ND2 GLY 187.A O no hydrogen 2.882 N/A GLY 217.A N SER 185.A O no hydrogen 3.118 N/A HIS 218.A N ILE 215.A O no hydrogen 2.819 N/A HIS 218.A ND1 ASN 216.A O no hydrogen 3.213 N/A GLY 219.A N ALA 260.A O no hydrogen 2.754 N/A ILE 220.A N LEU 183.A O no hydrogen 2.872 N/A SER 221.A N VAL 258.A O no hydrogen 3.107 N/A SER 221.A OG ASP 267.A OD1 no hydrogen 3.473 N/A SER 221.A OG ASP 270.A OD2 no hydrogen 2.785 N/A THR 222.A N GLY 181.A O no hydrogen 3.455 N/A THR 222.A OG1 THR 257.A OG1 no hydrogen 2.934 N/A SER 223.A N VAL 256.A O no hydrogen 2.848 N/A ASN 228.A N SER 225.A OG no hydrogen 3.268 N/A TYR 229.A N SER 225.A O no hydrogen 3.304 N/A TYR 230.A N TYR 226.A O no hydrogen 2.838 N/A GLU 231.A N ARG 227.A O no hydrogen 3.020 N/A LEU 232.A N ASN 228.A O no hydrogen 2.920 N/A ASP 233.A N TYR 229.A O no hydrogen 2.961 N/A GLY 234.A N TYR 229.A O no hydrogen 3.361 N/A LYS 235.A NZ HIS 251.A O no hydrogen 2.892 N/A VAL 240.A N SER 238.A OG no hydrogen 3.110 N/A ASP 242.A N ARG 247.A O no hydrogen 2.958 N/A GLN 244.A N ASP 242.A OD1 no hydrogen 3.212 N/A THR 245.A N ASP 242.A O no hydrogen 3.268 N/A THR 245.A OG1 ASP 242.A O no hydrogen 3.549 N/A GLY 246.A N ASP 242.A O no hydrogen 2.786 N/A ILE 249.A N VAL 240.A O no hydrogen 3.137 N/A HIS 251.A NE2 VAL 275.A O no hydrogen 2.960 N/A VAL 254.A N ILE 295.A O no hydrogen 2.787 N/A SER 255.A N ILE 295.A O no hydrogen 3.106 N/A SER 255.A OG SER 223.A O no hydrogen 3.073 N/A SER 255.A OG GLY 224.A O no hydrogen 3.180 N/A VAL 256.A N SER 223.A O no hydrogen 2.980 N/A THR 257.A N PHE 293.A O no hydrogen 2.703 N/A THR 257.A OG1 THR 222.A OG1 no hydrogen 2.934 N/A VAL 258.A N SER 221.A O no hydrogen 2.948 N/A ILE 259.A N ALA 291.A O no hydrogen 2.912 N/A ALA 260.A N GLY 219.A O no hydrogen 2.910 N/A ALA 263.A N ASP 161.A OD1 no hydrogen 2.998 N/A LEU 264.A N ASP 161.A OD2 no hydrogen 3.031 N/A GLU 265.A N THR 262.A OG1 no hydrogen 3.117 N/A ALA 266.A N THR 262.A O no hydrogen 3.253 N/A ASP 267.A N ALA 263.A O no hydrogen 2.783 N/A GLY 268.A N LEU 264.A O no hydrogen 2.827 N/A TRP 269.A N GLU 265.A O no hydrogen 2.784 N/A ASP 270.A N ALA 266.A O no hydrogen 3.304 N/A THR 271.A OG1 THR 153.A OG1 no hydrogen 2.554 N/A GLY 272.A N GLY 268.A O no hydrogen 3.511 N/A LEU 273.A N TRP 269.A O no hydrogen 2.854 N/A MET 274.A N ASP 270.A O no hydrogen 3.008 N/A VAL 275.A N THR 271.A O no hydrogen 2.895 N/A LEU 276.A N GLY 272.A O no hydrogen 3.074 N/A GLY 277.A N LEU 273.A O no hydrogen 3.127 N/A ALA 281.A N GLY 277.A O no hydrogen 2.802 N/A GLN 282.A N THR 278.A O no hydrogen 3.022 N/A GLU 283.A N GLN 279.A O no hydrogen 3.065 N/A VAL 284.A N LYS 280.A O no hydrogen 3.231 N/A VAL 285.A N ALA 281.A O no hydrogen 2.887 N/A ARG 286.A N GLN 282.A O no hydrogen 3.132 N/A ARG 287.A N GLU 283.A O no hydrogen 3.214 N/A LEU 290.A N VAL 285.A O no hydrogen 2.769 N/A VAL 292.A N SER 307.A OG no hydrogen 2.834 N/A PHE 293.A N THR 257.A O no hydrogen 2.777 N/A MET 294.A N TRP 305.A O no hydrogen 2.805 N/A ILE 295.A N SER 255.A O no hydrogen 2.895 N/A MET 296.A N LYS 303.A O no hydrogen 3.108 N/A LYS 297.A N ASN 252.A O no hydrogen 2.747 N/A GLU 298.A N GLY 301.A O no hydrogen 2.815 N/A GLY 301.A N GLU 298.A O no hydrogen 3.267 N/A LYS 303.A N MET 296.A O no hydrogen 3.077 N/A TRP 305.A N MET 294.A O no hydrogen 3.008 N/A SER 307.A N VAL 292.A O no hydrogen 2.963 N/A SER 307.A OG LEU 290.A O no hydrogen 2.895 N/A SER 307.A OG VAL 292.A O no hydrogen 3.403 N/A GLN 309.A NE2 LEU 290.A O no hydrogen 2.951 N/A PHE 310.A N SER 307.A O no hydrogen 3.115 N/A PHE 310.A N SER 307.A OG no hydrogen 3.232 N/A LYS 311.A N SER 307.A O no hydrogen 3.298 N/A THR 312.A OG1 GLN 309.A O no hydrogen 2.626 N/A PHE 313.A N PHE 310.A O no hydrogen 3.149 N/A LEU 314.A N LYS 311.A O no hydrogen 3.272 N/A VAL 315.A N ILE 212.A O no hydrogen 3.023 N/A