Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xtp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 12.A N TYR 20.A O no hydrogen 3.192 N/A ARG 13.A N PHE 191.A O no hydrogen 3.153 N/A ASP 14.A N LYS 18.A O no hydrogen 2.816 N/A THR 15.A N VAL 193.A O no hydrogen 2.911 N/A THR 15.A OG1 VAL 193.A O no hydrogen 3.459 N/A GLY 17.A N ASP 14.A O no hydrogen 3.007 N/A GLY 17.A N ASP 14.A OD1 no hydrogen 2.831 N/A LYS 18.A N ASP 14.A OD1 no hydrogen 3.059 N/A LYS 18.A NZ TYR 20.A OH no hydrogen 3.203 N/A TYR 20.A N GLY 12.A O no hydrogen 2.796 N/A ARG 21.A N GLU 25.A OE1 no hydrogen 2.625 N/A GLU 25.A N SER 22.A OG no hydrogen 3.074 N/A TRP 26.A NE1 ASP 161.A OD2 no hydrogen 3.097 N/A LYS 27.A N ASP 24.A O no hydrogen 3.366 N/A ALA 28.A N GLU 25.A O no hydrogen 3.277 N/A LEU 30.A N TRP 26.A O no hydrogen 2.959 N/A TYR 35.A N ASP 33.A OD1 no hydrogen 3.007 N/A TYR 35.A OH GLU 138.A OE2 no hydrogen 2.617 N/A ASP 36.A N ASP 33.A O no hydrogen 2.987 N/A GLU 38.A N ASP 36.A OD1 no hydrogen 3.025 N/A LYS 39.A N ASP 36.A OD1 no hydrogen 2.946 N/A GLY 40.A N ASP 36.A O no hydrogen 2.762 N/A TRP 41.A NE1 TYR 158.A O no hydrogen 2.952 N/A TYR 42.A OH ASP 163.A OD2 no hydrogen 2.477 N/A GLY 43.A N LEU 34.A O no hydrogen 2.777 N/A LYS 44.A N GLY 40.A O no hydrogen 2.783 N/A ALA 45.A N TYR 42.A O no hydrogen 3.063 N/A LEU 46.A N TYR 42.A O no hydrogen 3.114 N/A GLU 47.A N GLY 43.A O no hydrogen 2.895 N/A TYR 48.A N LYS 44.A O no hydrogen 2.946 N/A TRP 49.A N ALA 45.A O no hydrogen 2.983 N/A TRP 49.A NE1 TYR 158.A OH no hydrogen 2.853 N/A ARG 50.A N LEU 46.A O no hydrogen 3.089 N/A ARG 50.A NE GLU 47.A OE1 no hydrogen 2.920 N/A ARG 50.A NE GLU 47.A OE2 no hydrogen 3.297 N/A ARG 50.A NH2 GLU 47.A OE2 no hydrogen 3.008 N/A THR 51.A OG1 TYR 48.A O no hydrogen 3.500 N/A VAL 52.A N TRP 49.A O no hydrogen 3.099 N/A SER 57.A OG ASP 63.A OD1 no hydrogen 2.883 N/A GLY 58.A N THR 55.A OG1 no hydrogen 2.971 N/A VAL 59.A N THR 55.A O no hydrogen 3.029 N/A LEU 60.A N VAL 56.A O no hydrogen 2.947 N/A GLY 62.A N SER 57.A O no hydrogen 2.699 N/A HIS 66.A N ASP 63.A O no hydrogen 3.236 N/A ASP 69.A N VAL 65.A O no hydrogen 3.005 N/A ILE 70.A N HIS 66.A O no hydrogen 2.912 N/A GLU 71.A N ASP 67.A O no hydrogen 3.060 N/A GLY 72.A N VAL 68.A O no hydrogen 2.956 N/A SER 73.A N ASP 69.A O no hydrogen 3.145 N/A SER 73.A OG ASP 69.A O no hydrogen 3.229 N/A ARG 74.A N ILE 70.A O no hydrogen 2.975 N/A ARG 74.A NE GLU 71.A OE1 no hydrogen 3.146 N/A ARG 74.A NH2 GLU 71.A OE1 no hydrogen 3.482 N/A ARG 74.A NH2 GLU 71.A OE2 no hydrogen 2.865 N/A ASN 75.A N GLU 71.A O no hydrogen 2.960 N/A PHE 76.A N GLY 72.A O no hydrogen 2.969 N/A ILE 77.A N SER 73.A O no hydrogen 2.797 N/A ALA 78.A N ARG 74.A O no hydrogen 2.930 N/A SER 79.A N ASN 75.A O no hydrogen 3.312 N/A SER 79.A N PHE 76.A O no hydrogen 3.096 N/A SER 79.A OG PHE 76.A O no hydrogen 2.466 N/A LEU 80.A N ILE 77.A O no hydrogen 3.079 N/A HIS 83.A ND1 LEU 80.A O no hydrogen 2.476 N/A GLY 84.A N ASN 178.A O no hydrogen 2.860 N/A SER 86.A N ASP 148.A OD2 no hydrogen 2.757 N/A ARG 87.A NE ASP 111.A OD2 no hydrogen 3.151 N/A ARG 87.A NH2 ASP 111.A OD1 no hydrogen 2.858 N/A ARG 87.A NH2 ASP 111.A OD2 no hydrogen 3.365 N/A ALA 88.A N THR 109.A O no hydrogen 2.891 N/A LEU 89.A N LEU 149.A O no hydrogen 3.004 N/A ASP 90.A N ASP 111.A O no hydrogen 2.868 N/A CYS 91.A N VAL 151.A O no hydrogen 2.976 N/A ALA 93.A N LEU 113.A O no hydrogen 3.071 N/A GLY 94.A N GLU 114.A OE1 no hydrogen 2.735 N/A GLY 96.A N ALA 93.A O no hydrogen 2.964 N/A ARG 97.A NH1 HIS 66.A ND1 no hydrogen 2.993 N/A ARG 97.A NH1 ASP 69.A OD2 no hydrogen 2.940 N/A ARG 97.A NH2 ASP 69.A OD2 no hydrogen 3.123 N/A THR 99.A N ASP 90.A OD2 no hydrogen 3.311 N/A THR 99.A OG1 ASP 90.A OD2 no hydrogen 2.544 N/A LYS 100.A N GLY 96.A O no hydrogen 2.755 N/A ASN 101.A N ARG 97.A O no hydrogen 3.131 N/A ASN 101.A ND2 ARG 97.A O no hydrogen 2.674 N/A LEU 102.A N ILE 98.A O no hydrogen 2.863 N/A LEU 103.A N ILE 98.A O no hydrogen 3.146 N/A THR 104.A N THR 99.A O no hydrogen 3.017 N/A THR 104.A OG1 THR 99.A O no hydrogen 2.985 N/A LYS 105.A N LEU 102.A O no hydrogen 3.112 N/A LEU 106.A N LEU 103.A O no hydrogen 3.021 N/A TYR 107.A N LEU 103.A O no hydrogen 2.787 N/A ALA 108.A N THR 85.A O no hydrogen 3.131 N/A THR 109.A N SER 86.A O no hydrogen 2.901 N/A THR 110.A N PRO 129.A O no hydrogen 3.071 N/A ASP 111.A N ALA 88.A O no hydrogen 2.809 N/A LEU 112.A N LYS 132.A O no hydrogen 2.893 N/A LEU 113.A N ASP 90.A O no hydrogen 2.844 N/A GLU 114.A N ILE 134.A O no hydrogen 2.932 N/A VAL 116.A N GLU 114.A OE2 no hydrogen 2.900 N/A HIS 118.A NE2 VAL 52.A O no hydrogen 2.674 N/A GLU 120.A N LYS 117.A O no hydrogen 2.928 N/A GLU 121.A N HIS 118.A O no hydrogen 3.351 N/A LYS 123.A N LEU 119.A O no hydrogen 3.080 N/A LYS 123.A NZ GLU 120.A OE2 no hydrogen 2.964 N/A ARG 124.A N GLU 120.A O no hydrogen 3.342 N/A ARG 124.A NE GLU 121.A OE1 no hydrogen 3.100 N/A ARG 124.A NH2 GLU 121.A OE1 no hydrogen 3.272 N/A GLU 125.A N GLU 121.A O no hydrogen 2.836 N/A LEU 126.A N ALA 122.A O no hydrogen 2.820 N/A ALA 127.A N ARG 124.A O no hydrogen 3.451 N/A GLY 131.A N THR 110.A O no hydrogen 2.835 N/A LYS 132.A N ASP 111.A OD1 no hydrogen 2.950 N/A ILE 134.A N LEU 112.A O no hydrogen 2.749 N/A ALA 136.A N GLU 114.A O no hydrogen 3.242 N/A THR 139.A N SER 137.A O no hydrogen 3.226 N/A THR 139.A OG1 SER 137.A O no hydrogen 3.028 N/A LEU 142.A N HIS 170.A NE2 no hydrogen 2.896 N/A ASN 145.A N GLN 173.A O no hydrogen 2.846 N/A THR 146.A N ALA 174.A O no hydrogen 2.790 N/A THR 146.A OG1 PRO 143.A O no hydrogen 3.416 N/A THR 146.A OG1 PRO 144.A O no hydrogen 2.933 N/A TYR 147.A N ALA 174.A O no hydrogen 2.863 N/A TYR 147.A OH ASP 111.A OD2 no hydrogen 2.490 N/A ASP 148.A N ARG 87.A O no hydrogen 2.748 N/A LEU 149.A N ARG 87.A O no hydrogen 3.281 N/A ILE 150.A N TYR 180.A O no hydrogen 3.006 N/A VAL 151.A N LEU 89.A O no hydrogen 2.786 N/A ILE 152.A N PHE 182.A O no hydrogen 2.840 N/A GLN 153.A NE2 ASP 69.A OD1 no hydrogen 2.776 N/A GLN 153.A NE2 ASP 69.A OD2 no hydrogen 3.214 N/A TRP 154.A N LYS 184.A O no hydrogen 3.065 N/A TRP 154.A NE1 ASN 186.A OD1 no hydrogen 3.023 N/A TYR 158.A N THR 155.A O no hydrogen 3.079 N/A TYR 158.A OH ASP 197.A OD2 no hydrogen 2.804 N/A LEU 159.A N ALA 156.A O no hydrogen 3.307 N/A THR 160.A N TYR 42.A OH no hydrogen 3.149 N/A ASP 163.A N THR 160.A OG1 no hydrogen 3.039 N/A PHE 164.A N THR 160.A O no hydrogen 2.840 N/A VAL 165.A N ASP 161.A O no hydrogen 2.894 N/A LYS 166.A N ALA 162.A O no hydrogen 3.120 N/A PHE 167.A N ASP 163.A O no hydrogen 2.790 N/A PHE 168.A N PHE 164.A O no hydrogen 3.030 N/A LYS 169.A N VAL 165.A O no hydrogen 3.303 N/A HIS 170.A N LYS 166.A O no hydrogen 3.008 N/A CYS 171.A N PHE 167.A O no hydrogen 2.845 N/A CYS 171.A SG PHE 167.A O no hydrogen 3.299 N/A GLN 172.A N PHE 168.A O no hydrogen 3.021 N/A GLN 172.A NE2 GLY 215.A O no hydrogen 3.188 N/A GLN 172.A NE2 LYS 239.A O no hydrogen 3.545 N/A GLN 172.A NE2 LYS 239.A OXT no hydrogen 2.934 N/A GLN 173.A N LYS 169.A O no hydrogen 3.356 N/A GLN 173.A NE2 LEU 142.A O no hydrogen 2.958 N/A GLN 173.A NE2 HIS 170.A O no hydrogen 2.846 N/A ALA 174.A N HIS 170.A O no hydrogen 3.275 N/A LEU 175.A N GLN 172.A O no hydrogen 3.171 N/A THR 176.A N TYR 147.A O no hydrogen 2.915 N/A THR 176.A OG1 ASP 148.A OD1 no hydrogen 2.490 N/A GLY 179.A N THR 176.A O no hydrogen 2.890 N/A TYR 180.A N ASP 148.A O no hydrogen 3.137 N/A TYR 180.A OH PRO 81.A O no hydrogen 2.616 N/A ILE 181.A N LEU 238.A O no hydrogen 2.895 N/A PHE 182.A N ILE 150.A O no hydrogen 2.725 N/A PHE 183.A N TYR 236.A O no hydrogen 2.957 N/A LYS 184.A N ILE 152.A O no hydrogen 2.974 N/A LYS 184.A NZ ASP 69.A OD1 no hydrogen 2.710 N/A LYS 184.A NZ SER 73.A OG no hydrogen 2.816 N/A LYS 184.A NZ GLN 224.A OE1 no hydrogen 3.057 N/A GLU 185.A N LYS 235.A O no hydrogen 3.061 N/A ASN 186.A N GLU 185.A OE2 no hydrogen 2.910 N/A CYS 187.A N PRO 233.A O no hydrogen 2.952 N/A SER 188.A N ARG 202.A O no hydrogen 3.032 N/A SER 188.A OG ARG 190.A O no hydrogen 2.819 N/A ARG 190.A NE SER 11.A OG no hydrogen 3.316 N/A PHE 191.A N SER 11.A O no hydrogen 3.170 N/A LEU 192.A N THR 201.A O no hydrogen 3.054 N/A VAL 193.A N ARG 13.A O no hydrogen 2.892 N/A ASP 194.A N SER 199.A O no hydrogen 2.721 N/A LYS 195.A N THR 15.A OG1 no hydrogen 2.998 N/A LYS 195.A NZ GLU 29.A OE1 no hydrogen 3.358 N/A LYS 195.A NZ GLU 29.A OE2 no hydrogen 2.784 N/A GLU 196.A N ASP 194.A OD1 no hydrogen 2.754 N/A SER 198.A OG TRP 41.A O no hydrogen 2.549 N/A SER 199.A N ASP 194.A O no hydrogen 3.290 N/A SER 199.A OG ASP 197.A OD1 no hydrogen 2.463 N/A SER 199.A OG ASP 197.A OD2 no hydrogen 3.380 N/A LEU 200.A N ILE 157.A O no hydrogen 2.829 N/A THR 201.A N LEU 192.A O no hydrogen 2.943 N/A ARG 202.A NE ASP 161.A OD1 no hydrogen 2.738 N/A ARG 202.A NH1 ALA 156.A O no hydrogen 3.058 N/A ARG 202.A NH2 LEU 159.A O no hydrogen 2.779 N/A ARG 202.A NH2 ASP 161.A OD1 no hydrogen 2.756 N/A HIS 206.A N SER 203.A OG no hydrogen 3.105 N/A HIS 206.A NE2 ASP 161.A OD2 no hydrogen 2.911 N/A TYR 207.A N SER 203.A O no hydrogen 2.855 N/A TYR 207.A OH ASN 186.A O no hydrogen 2.773 N/A LYS 208.A N ASP 204.A O no hydrogen 3.036 N/A LYS 208.A NZ ASP 204.A OD1 no hydrogen 3.425 N/A LYS 208.A NZ ASP 204.A OD2 no hydrogen 2.745 N/A LYS 208.A NZ GLU 221.A OE1 no hydrogen 2.905 N/A ARG 209.A N ILE 205.A O no hydrogen 2.961 N/A ARG 209.A NH1 LEU 8.A O no hydrogen 2.946 N/A ARG 209.A NH2 LEU 8.A O no hydrogen 2.888 N/A LEU 210.A N HIS 206.A O no hydrogen 3.108 N/A PHE 211.A N TYR 207.A O no hydrogen 2.718 N/A ASN 212.A N LYS 208.A O no hydrogen 2.886 N/A GLU 213.A N ARG 209.A O no hydrogen 3.067 N/A SER 214.A N LEU 210.A O no hydrogen 2.959 N/A SER 214.A OG VAL 165.A O no hydrogen 2.616 N/A SER 214.A OG LEU 210.A O no hydrogen 3.552 N/A GLY 215.A N ASN 212.A O no hydrogen 3.058 N/A VAL 216.A N PHE 211.A O no hydrogen 3.085 N/A ARG 217.A N LYS 239.A O no hydrogen 2.916 N/A VAL 219.A N ALA 237.A O no hydrogen 2.839 N/A LYS 220.A N ALA 237.A O no hydrogen 3.401 N/A GLN 224.A N LEU 234.A O no hydrogen 2.751 N/A GLN 224.A NE2 GLU 225.A O no hydrogen 2.738 N/A TRP 227.A NE1 PHE 232.A O no hydrogen 3.015 N/A LEU 231.A N PRO 228.A O no hydrogen 3.194 N/A LYS 235.A N GLU 185.A O no hydrogen 2.901 N/A LYS 235.A NZ ASP 204.A OD1 no hydrogen 2.649 N/A LYS 235.A NZ GLU 221.A OE1 no hydrogen 2.394 N/A TYR 236.A OH ASP 204.A OD1 no hydrogen 2.599 N/A ALA 237.A N LYS 220.A O no hydrogen 2.864 N/A LEU 238.A N ILE 181.A O no hydrogen 3.007 N/A LYS 239.A N ARG 217.A O no hydrogen 3.077 N/A LYS 239.A NZ PRO 177.A O no hydrogen 2.792 N/A LYS 239.A NZ GLY 179.A O no hydrogen 2.858 N/A