Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u2w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N LYS 97.A O no hydrogen 3.350 N/A PHE 6.A N ARG 34.A O no hydrogen 2.832 N/A VAL 7.A N VAL 99.A O no hydrogen 2.863 N/A THR 8.A N VAL 36.A O no hydrogen 2.988 N/A THR 8.A OG1 MET 101.A O no hydrogen 2.696 N/A LEU 9.A N THR 8.A OG1 no hydrogen 2.782 N/A THR 10.A N LEU 38.A O no hydrogen 2.845 N/A THR 10.A OG1 ASN 12.A O no hydrogen 2.585 N/A ASN 12.A N THR 10.A OG1 no hydrogen 3.369 N/A TYR 15.A N ASN 12.A OD1 no hydrogen 2.971 N/A ALA 16.A N ASN 12.A O no hydrogen 3.117 N/A LYS 17.A N ALA 14.A O no hydrogen 3.030 N/A ALA 19.A N TYR 15.A O no hydrogen 2.805 N/A LEU 20.A N ALA 16.A O no hydrogen 2.919 N/A VAL 21.A N LYS 17.A O no hydrogen 3.076 N/A LEU 22.A N GLY 18.A O no hydrogen 2.900 N/A GLY 23.A N ALA 19.A O no hydrogen 2.854 N/A SER 24.A N LEU 20.A O no hydrogen 2.985 N/A SER 24.A OG.B LEU 20.A O no hydrogen 2.804 N/A SER 25.A N VAL 21.A O no hydrogen 2.884 N/A SER 25.A OG VAL 21.A O no hydrogen 3.518 N/A SER 25.A OG LEU 22.A O no hydrogen 2.724 N/A LEU 26.A N LEU 22.A O no hydrogen 2.929 N/A LYS 27.A N GLY 23.A O no hydrogen 3.086 N/A GLN 28.A N SER 24.A O no hydrogen 2.761 N/A HIS 29.A N SER 25.A O no hydrogen 3.139 N/A ARG 30.A N LYS 27.A O no hydrogen 3.092 N/A THR 31.A N LEU 26.A O no hydrogen 3.233 N/A THR 31.A OG1 ASP 112.A OD1 no hydrogen 2.585 N/A THR 31.A OG1 ASP 112.A OD2 no hydrogen 3.404 N/A THR 32.A N ASP 112.A OD2 no hydrogen 3.053 N/A THR 32.A OG1 ASP 112.A OD2 no hydrogen 3.381 N/A ARG 33.A N THR 31.A OG1 no hydrogen 3.032 N/A ARG 33.A NE GLN 4.A OE1 no hydrogen 2.960 N/A ARG 33.A NH2 GLN 4.A OE1 no hydrogen 2.887 N/A ARG 34.A N GLN 4.A O no hydrogen 3.086 N/A LEU 35.A N ASP 56.A OD2 no hydrogen 2.796 N/A VAL 36.A N PHE 6.A O no hydrogen 2.861 N/A VAL 37.A N GLU 57.A O no hydrogen 3.037 N/A LEU 38.A N THR 8.A O no hydrogen 2.813 N/A ALA 39.A N ILE 59.A O no hydrogen 2.943 N/A THR 40.A N THR 10.A O no hydrogen 3.399 N/A VAL 43.A N THR 40.A O no hydrogen 3.082 N/A SER 44.A N ASP 13.A OD1 no hydrogen 2.900 N/A SER 44.A OG ASP 13.A OD1 no hydrogen 3.466 N/A SER 44.A OG ASP 13.A OD2 no hydrogen 2.619 N/A SER 44.A OG SER 46.A OG no hydrogen 3.319 N/A SER 46.A OG SER 44.A OG no hydrogen 3.319 N/A MET 47.A N SER 44.A OG no hydrogen 3.158 N/A ARG 48.A N SER 44.A O no hydrogen 2.826 N/A ARG 48.A NE VAL 43.A O no hydrogen 2.894 N/A ARG 48.A NH2 PRO 41.A O no hydrogen 3.012 N/A ARG 48.A NH2 VAL 43.A O no hydrogen 3.115 N/A LYS 49.A N ASP 45.A O no hydrogen 3.132 N/A VAL 50.A N SER 46.A O no hydrogen 3.231 N/A LEU 51.A N MET 47.A O no hydrogen 2.864 N/A GLU 52.A N ARG 48.A O no hydrogen 2.970 N/A THR 53.A N VAL 50.A O no hydrogen 2.910 N/A THR 53.A OG1 VAL 50.A O no hydrogen 2.690 N/A VAL 54.A N LEU 51.A O no hydrogen 3.173 N/A PHE 55.A N LEU 51.A O no hydrogen 2.860 N/A ASP 56.A N LEU 35.A O no hydrogen 2.771 N/A GLU 57.A N LEU 35.A O no hydrogen 3.357 N/A ILE 59.A N VAL 37.A O no hydrogen 2.863 N/A VAL 61.A N ALA 39.A O no hydrogen 2.827 N/A LEU 64.A N THR 85.A OG1 no hydrogen 2.959 N/A SER 66.A N GLY 81.A O no hydrogen 3.034 N/A SER 66.A OG GLY 161.A O no hydrogen 2.671 N/A GLY 67.A N ASP 65.A OD1 no hydrogen 2.972 N/A ASP 68.A N SER 66.A OG no hydrogen 3.087 N/A SER 69.A N GLY 67.A O no hydrogen 3.059 N/A HIS 71.A N ASP 68.A OD1 no hydrogen 3.129 N/A HIS 71.A ND1 SER 158.A O no hydrogen 3.059 N/A LEU 72.A N ASP 68.A O no hydrogen 2.947 N/A THR 73.A N SER 69.A O no hydrogen 2.846 N/A THR 73.A OG1 SER 69.A O no hydrogen 2.796 N/A LEU 74.A N ALA 70.A O no hydrogen 3.238 N/A MET 75.A N HIS 71.A O no hydrogen 2.986 N/A LYS 76.A N THR 73.A O no hydrogen 3.060 N/A LYS 76.A NZ LEU 74.A O no hydrogen 3.249 N/A ARG 77.A N LEU 72.A O no hydrogen 3.070 N/A ARG 77.A NE GLU 79.A OE2 no hydrogen 2.871 N/A ARG 77.A NH2 GLU 79.A OE2 no hydrogen 2.945 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.683 N/A LEU 80.A N ARG 77.A O no hydrogen 3.093 N/A THR 83.A N LEU 80.A O no hydrogen 3.029 N/A THR 83.A OG1 LEU 80.A O no hydrogen 2.739 N/A THR 83.A OG1 ASP 163.A OD1 no hydrogen 3.242 N/A LEU 84.A N GLY 81.A O no hydrogen 3.494 N/A THR 85.A N VAL 82.A O no hydrogen 3.073 N/A THR 85.A OG1 LEU 64.A O no hydrogen 3.185 N/A THR 85.A OG1 VAL 82.A O no hydrogen 2.686 N/A LYS 86.A N THR 83.A O no hydrogen 3.037 N/A LYS 86.A NZ ASP 102.A OD1 no hydrogen 2.935 N/A LYS 86.A NZ SER 134.A O no hydrogen 2.864 N/A LYS 86.A NZ ASP 163.A OD1 no hydrogen 3.442 N/A LYS 86.A NZ ASP 163.A OD2 no hydrogen 2.673 N/A LEU 87.A N LEU 84.A O no hydrogen 2.926 N/A HIS 88.A N THR 85.A O no hydrogen 3.153 N/A HIS 88.A ND1 TYR 146.A OH no hydrogen 2.789 N/A HIS 88.A NE2 ASP 62.A O no hydrogen 2.697 N/A CYS 89.A N LYS 86.A O no hydrogen 2.887 N/A CYS 89.A SG LYS 86.A O no hydrogen 3.007 N/A TRP 90.A N LEU 87.A O no hydrogen 3.125 N/A TRP 90.A NE1 GLU 119.A OE2 no hydrogen 2.783 N/A SER 91.A N HIS 88.A O no hydrogen 2.949 N/A SER 91.A OG HIS 88.A O no hydrogen 2.668 N/A LEU 92.A N CYS 89.A O no hydrogen 3.401 N/A THR 93.A N SER 91.A O no hydrogen 2.872 N/A GLN 94.A N GLN 94.A OE1 no hydrogen 2.770 N/A TYR 95.A N LEU 92.A O no hydrogen 3.017 N/A SER 96.A N ASP 3.A O no hydrogen 2.828 N/A SER 96.A OG ASP 3.A O no hydrogen 3.436 N/A SER 96.A OG ASP 3.A OD1 no hydrogen 2.805 N/A LYS 97.A NZ PHE 115.A O no hydrogen 2.905 N/A LYS 97.A NZ ARG 117.A O no hydrogen 2.778 N/A LYS 97.A NZ GLU 118.A OE1.B no hydrogen 3.146 N/A CYS 98.A N TYR 139.A O no hydrogen 2.940 N/A VAL 99.A N ALA 5.A O no hydrogen 2.947 N/A PHE 100.A N PHE 137.A O no hydrogen 2.799 N/A MET 101.A N VAL 7.A O no hydrogen 2.819 N/A ASP 102.A N GLY 135.A O no hydrogen 2.793 N/A THR 105.A N ASP 102.A O no hydrogen 3.185 N/A THR 105.A OG1 ASP 102.A O no hydrogen 2.693 N/A LEU 106.A N VAL 211.A O no hydrogen 2.954 N/A VAL 107.A N SER 25.A OG no hydrogen 3.021 N/A LEU 108.A N LYS 209.A O no hydrogen 2.766 N/A ASN 110.A ND2 HIS 29.A O no hydrogen 2.873 N/A ASN 110.A ND2 ASP 112.A OD2 no hydrogen 3.500 N/A ASP 112.A N ASN 110.A OD1 no hydrogen 2.940 N/A LEU 114.A N ILE 111.A O no hydrogen 3.072 N/A PHE 115.A N ASP 112.A O no hydrogen 3.085 N/A ASP 116.A N ASP 113.A O no hydrogen 3.019 N/A ARG 117.A N LEU 114.A O no hydrogen 2.920 N/A ARG 117.A NH1 ARG 180.A O no hydrogen 2.918 N/A GLU 119.A N GLN 140.A OE1 no hydrogen 3.008 N/A SER 121.A N VAL 138.A O no hydrogen 3.265 N/A SER 121.A OG GLU 118.A O no hydrogen 2.738 N/A ALA 122.A N LYS 181.A O no hydrogen 3.071 N/A ASP 125.A N CYS 131.A O no hydrogen 2.910 N/A GLY 127.A N ASP 125.A OD2 no hydrogen 2.882 N/A TRP 128.A N ASP 125.A OD2 no hydrogen 3.000 N/A CYS 131.A N TRP 128.A O no hydrogen 2.946 N/A PHE 132.A N ASN 168.A OD1 no hydrogen 2.891 N/A ASN 133.A N ALA 123.A O no hydrogen 2.904 N/A ASN 133.A ND2 ASP 125.A OD1 no hydrogen 3.223 N/A SER 134.A N GLN 164.A OE1 no hydrogen 3.018 N/A SER 134.A OG ASP 163.A OD2 no hydrogen 2.588 N/A SER 134.A OG GLN 164.A OE1 no hydrogen 3.483 N/A GLY 135.A N ASN 133.A OD1 no hydrogen 2.886 N/A PHE 137.A N PHE 100.A O no hydrogen 2.988 N/A VAL 138.A N SER 121.A O no hydrogen 2.839 N/A TYR 139.A N CYS 98.A O no hydrogen 2.911 N/A TYR 139.A OH CYS 89.A O no hydrogen 2.709 N/A GLN 140.A N GLU 119.A OE2 no hydrogen 2.811 N/A SER 142.A N TRP 90.A O no hydrogen 2.877 N/A SER 142.A OG THR 145.A OG1 no hydrogen 3.304 N/A THR 145.A N SER 142.A OG no hydrogen 3.135 N/A THR 145.A OG1 SER 142.A OG no hydrogen 3.304 N/A TYR 146.A N SER 142.A O no hydrogen 2.860 N/A TYR 146.A OH HIS 88.A ND1 no hydrogen 2.789 N/A ASN 147.A N VAL 143.A O no hydrogen 2.993 N/A ASN 147.A ND2 VAL 143.A O no hydrogen 2.781 N/A GLN 148.A N GLU 144.A O no hydrogen 2.938 N/A LEU 149.A N THR 145.A O no hydrogen 2.867 N/A LEU 150.A N TYR 146.A O no hydrogen 2.984 N/A HIS 151.A N ASN 147.A O no hydrogen 2.906 N/A LEU 152.A N GLN 148.A O no hydrogen 2.944 N/A ALA 153.A N LEU 149.A O no hydrogen 2.998 N/A SER 154.A N LEU 150.A O no hydrogen 2.988 N/A SER 154.A OG LEU 150.A O no hydrogen 3.292 N/A SER 154.A OG HIS 151.A O no hydrogen 2.958 N/A GLU 155.A N HIS 151.A O no hydrogen 2.828 N/A GLN 156.A N LEU 152.A O no hydrogen 2.798 N/A GLY 157.A N LEU 152.A O no hydrogen 3.281 N/A SER 158.A OG ASP 160.A OD1 no hydrogen 2.809 N/A SER 158.A OG GLY 162.A O no hydrogen 2.583 N/A ASP 160.A N SER 158.A OG no hydrogen 3.416 N/A GLY 161.A N SER 158.A O no hydrogen 3.000 N/A GLY 162.A N ASP 160.A OD1 no hydrogen 2.925 N/A ASP 163.A N THR 83.A OG1 no hydrogen 3.135 N/A GLN 164.A NE2 ASP 125.A OD1 no hydrogen 3.090 N/A GLY 165.A N ASP 160.A OD1 no hydrogen 3.027 N/A ILE 166.A N SER 158.A OG no hydrogen 3.051 N/A LEU 167.A N ASP 163.A O no hydrogen 2.923 N/A ASN 168.A N GLN 164.A O no hydrogen 3.003 N/A ASN 168.A ND2 PHE 132.A O no hydrogen 2.977 N/A ASN 168.A ND2 GLN 164.A O no hydrogen 2.912 N/A THR 169.A N GLY 165.A O no hydrogen 2.960 N/A THR 169.A OG1 GLY 165.A O no hydrogen 3.078 N/A PHE 170.A N ILE 166.A O no hydrogen 2.850 N/A PHE 171.A N LEU 167.A O no hydrogen 2.834 N/A SER 172.A OG THR 169.A O no hydrogen 3.383 N/A TRP 174.A N PHE 171.A O no hydrogen 3.186 N/A TRP 174.A NE1 LYS 181.A O no hydrogen 2.970 N/A THR 176.A N SER 173.A O no hydrogen 3.156 N/A THR 177.A N SER 173.A O no hydrogen 3.000 N/A THR 177.A OG1 SER 173.A O no hydrogen 3.151 N/A ARG 180.A N ASP 178.A OD1 no hydrogen 3.003 N/A ARG 180.A NE ASP 178.A OD1 no hydrogen 3.034 N/A ARG 180.A NH2 ASP 178.A OD2 no hydrogen 3.149 N/A LYS 181.A N ASP 178.A O no hydrogen 2.967 N/A LYS 181.A NZ GLU 119.A O no hydrogen 2.879 N/A HIS 182.A N ILE 179.A O no hydrogen 3.029 N/A HIS 182.A NE2 TRP 174.A O no hydrogen 2.803 N/A LEU 183.A N ALA 122.A O no hydrogen 2.893 N/A TYR 187.A N PRO 184.A O no hydrogen 2.891 N/A TYR 187.A OH ASP 113.A OD1 no hydrogen 2.846 N/A TYR 187.A OH ASP 113.A OD2 no hydrogen 2.916 N/A ASN 188.A N PHE 185.A O no hydrogen 2.855 N/A ASN 188.A ND2 ASN 133.A OD1 no hydrogen 2.920 N/A LEU 189.A N VAL 210.A O no hydrogen 2.931 N/A SER 190.A OG ASN 188.A O no hydrogen 3.315 N/A SER 193.A OG ASN 239.A OD1 no hydrogen 2.688 N/A ILE 194.A N SER 191.A O no hydrogen 3.365 N/A PHE 195.A N SER 191.A O no hydrogen 2.987 N/A PHE 201.A N LEU 198.A O no hydrogen 2.938 N/A LYS 202.A N PRO 199.A O no hydrogen 3.193 N/A VAL 203.A N ALA 200.A O no hydrogen 3.268 N/A PHE 204.A N ALA 200.A O no hydrogen 2.799 N/A GLY 205.A N PHE 201.A O no hydrogen 2.514 N/A SER 207.A N PHE 204.A O no hydrogen 3.191 N/A SER 207.A OG PHE 204.A O no hydrogen 2.588 N/A ALA 208.A N GLY 205.A O no hydrogen 3.013 N/A LYS 209.A N ILE 186.A O no hydrogen 2.815 N/A VAL 210.A N ILE 186.A O no hydrogen 2.975 N/A VAL 211.A N LEU 106.A O no hydrogen 2.941 N/A HIS 212.A N LEU 189.A O no hydrogen 2.992 N/A HIS 212.A ND1 ASN 188.A OD1 no hydrogen 2.843 N/A PHE 213.A N ASP 104.A O no hydrogen 2.920 N/A ARG 216.A NH1 LYS 76.A O no hydrogen 2.638 N/A ARG 216.A NH2 LYS 76.A O no hydrogen 3.218 N/A LYS 218.A N ASN 221.A OD1 no hydrogen 2.848 N/A LYS 218.A NZ ASP 104.A OD2 no hydrogen 2.688 N/A LYS 218.A NZ PHE 213.A O no hydrogen 2.894 N/A LYS 218.A NZ GLY 215.A O no hydrogen 2.740 N/A ASN 221.A N LYS 218.A O no hydrogen 2.896 N/A TYR 222.A N PRO 219.A O no hydrogen 3.221 N/A TYR 222.A OH ASP 237.A OD1 no hydrogen 3.222 N/A TYR 222.A OH ASP 237.A OD2 no hydrogen 2.730 N/A ASP 225.A N SER 230.A O no hydrogen 2.792 N/A LYS 227.A N ASP 225.A OD1 no hydrogen 3.009 N/A THR 228.A OG1 ASP 225.A OD2 no hydrogen 3.335 N/A THR 228.A OG1 SER 230.A OG no hydrogen 2.836 N/A LYS 229.A N ASP 225.A O no hydrogen 2.765 N/A SER 230.A OG THR 228.A OG1 no hydrogen 2.836 N/A LYS 232.A N THR 223.A O no hydrogen 2.985 N/A ALA 235.A N SER 233.A O no hydrogen 3.048 N/A ASN 239.A N ASP 237.A OD1 no hydrogen 3.033 N/A ASN 239.A ND2 TYR 222.A OH no hydrogen 2.751 N/A MET 240.A N ASP 237.A O no hydrogen 2.942 N/A THR 241.A N PRO 238.A O no hydrogen 3.088 N/A ILE 247.A N PRO 243.A O no hydrogen 2.983 N/A LEU 248.A N GLU 244.A O no hydrogen 2.949 N/A TRP 249.A N PHE 245.A O no hydrogen 2.901 N/A TRP 250.A N LEU 246.A O no hydrogen 3.177 N/A TRP 250.A NE1 PRO 219.A O no hydrogen 2.885 N/A ASN 251.A N ILE 247.A O no hydrogen 2.891 N/A ILE 252.A N LEU 248.A O no hydrogen 2.868 N/A PHE 253.A N TRP 249.A O no hydrogen 2.871 N/A THR 254.A N TRP 250.A O no hydrogen 2.861 N/A THR 254.A OG1 TRP 250.A O no hydrogen 2.748 N/A THR 255.A N ASN 251.A O no hydrogen 2.915 N/A THR 255.A OG1 ASN 251.A O no hydrogen 3.112 N/A THR 255.A OG1 ASN 251.A OD1 no hydrogen 3.419 N/A ASN 256.A N ILE 252.A O no hydrogen 2.828 N/A VAL 257.A N ILE 252.A O no hydrogen 3.324 N/A VAL 257.A N PHE 253.A O no hydrogen 3.063 N/A LEU 258.A N PHE 253.A O no hydrogen 2.759 N/A LEU 260.A N VAL 257.A O no hydrogen 2.890 N/A LEU 261.A N LEU 258.A O no hydrogen 3.033 N/A