Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pca_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N GLN 3.A O no hydrogen 2.886 N/A SER 6.A OG ASN 5.A OD1 no hydrogen 3.321 N/A ARG 7.A N ARG 228.A O no hydrogen 2.733 N/A ARG 7.A NE GLU 233.A OE1 no hydrogen 3.226 N/A ARG 7.A NE GLU 233.A OE2 no hydrogen 2.630 N/A ARG 7.A NH1 ASP 4.A OD1 no hydrogen 2.697 N/A ARG 7.A NH1 ASP 4.A OD2 no hydrogen 3.480 N/A ARG 7.A NH1 SER 6.A O no hydrogen 2.925 N/A ARG 7.A NH2 ASP 4.A OD2 no hydrogen 3.344 N/A ARG 7.A NH2 GLU 233.A OE1 no hydrogen 2.650 N/A PHE 8.A N GLN 41.A OE1 no hydrogen 2.751 N/A VAL 9.A N GLY 226.A O no hydrogen 2.910 N/A ARG 11.A NH2 LYS 170.A O no hydrogen 3.177 N/A ASN 14.A N ASP 12.A OD1 no hydrogen 3.059 N/A TRP 15.A N ASP 12.A O no hydrogen 3.270 N/A HIS 16.A N ASP 12.A O no hydrogen 3.378 N/A LYS 18.A NZ ARG 13.A O no hydrogen 3.180 N/A THR 21.A N SER 27.A OG no hydrogen 3.104 N/A THR 21.A OG1 SER 27.A OG no hydrogen 3.288 N/A TYR 24.A N THR 21.A O no hydrogen 2.791 N/A LYS 25.A N ASN 148.A OD1 no hydrogen 3.114 N/A LYS 25.A NZ ASN 148.A O no hydrogen 2.754 N/A SER 27.A N TYR 24.A O no hydrogen 2.959 N/A SER 27.A OG THR 21.A O no hydrogen 3.004 N/A SER 27.A OG THR 21.A OG1 no hydrogen 3.288 N/A SER 27.A OG TYR 24.A O no hydrogen 2.858 N/A ILE 28.A N LYS 25.A O no hydrogen 3.281 N/A SER 31.A OG SER 27.A O no hydrogen 2.785 N/A SER 31.A OG ILE 28.A O no hydrogen 3.295 N/A ARG 33.A NH1 SER 31.A OG no hydrogen 2.708 N/A ARG 33.A NH2 ILE 28.A O no hydrogen 2.980 N/A GLN 41.A NE2 PHE 8.A O no hydrogen 2.918 N/A SER 42.A N GLU 45.A OE1 no hydrogen 2.973 N/A SER 42.A OG GLU 45.A OE1 no hydrogen 2.592 N/A GLU 45.A N SER 42.A O no hydrogen 3.109 N/A THR 46.A N SER 42.A O no hydrogen 3.020 N/A THR 46.A OG1 ASP 4.A OD1 no hydrogen 2.743 N/A THR 46.A OG1 SER 42.A O no hydrogen 3.256 N/A THR 47.A OG1 ILE 43.A O no hydrogen 2.804 N/A SER 52.A N ASN 50.A OD1 no hydrogen 2.356 N/A SER 52.A OG ASN 50.A OD1 no hydrogen 2.881 N/A LEU 54.A N PHE 51.A O no hydrogen 3.025 N/A GLY 57.A N ASP 60.A OD2 no hydrogen 2.910 N/A ASP 60.A N GLY 57.A O no hydrogen 3.295 N/A ASP 62.A N HIS 59.A O no hydrogen 2.851 N/A LEU 63.A N ARG 137.A O no hydrogen 2.599 N/A LEU 64.A N ASP 62.A OD1 no hydrogen 3.177 N/A LEU 65.A N ASP 62.A O no hydrogen 3.168 N/A ASN 66.A N ASP 62.A O no hydrogen 2.876 N/A ASN 66.A ND2 HIS 59.A O no hydrogen 2.979 N/A ASN 66.A ND2 ASP 60.A O no hydrogen 3.118 N/A ASN 66.A ND2 VAL 123.A O no hydrogen 3.069 N/A ILE 71.A N ASP 117.A OD2 no hydrogen 2.798 N/A ARG 74.A NE ASP 214.A O no hydrogen 3.292 N/A ARG 74.A NE ASP 214.A OD1 no hydrogen 3.121 N/A ARG 74.A NH2 ASP 214.A OD1 no hydrogen 2.782 N/A ILE 75.A N THR 138.A O no hydrogen 2.840 N/A ILE 76.A N LEU 216.A O no hydrogen 2.846 N/A VAL 77.A N PHE 136.A O no hydrogen 3.005 N/A ALA 78.A N TYR 218.A O no hydrogen 3.049 N/A GLY 79.A N TYR 134.A O no hydrogen 3.151 N/A ARG 80.A N ASP 221.A OD1 no hydrogen 2.712 N/A ARG 80.A NE ASP 131.A O no hydrogen 2.720 N/A ARG 80.A NH2 ASP 131.A O no hydrogen 3.286 N/A VAL 81.A N GLY 132.A O no hydrogen 2.778 N/A VAL 82.A N ILE 222.A O no hydrogen 2.896 N/A ASP 83.A N LYS 87.A O no hydrogen 2.817 N/A TYR 85.A N ASP 83.A OD1 no hydrogen 2.885 N/A GLY 86.A N ASP 83.A O no hydrogen 2.764 N/A LYS 87.A N ASP 83.A OD1 no hydrogen 3.035 N/A LYS 87.A NZ GLN 227.A OE1 no hydrogen 3.451 N/A VAL 89.A N VAL 81.A O no hydrogen 2.832 N/A ASN 91.A ND2 THR 128.A O no hydrogen 3.532 N/A THR 92.A N THR 128.A OG1 no hydrogen 2.946 N/A LEU 93.A N SER 163.A OG no hydrogen 3.177 N/A VAL 94.A N CYS 126.A O no hydrogen 2.918 N/A GLU 95.A N GLY 161.A O no hydrogen 2.899 N/A MET 96.A N GLY 124.A O no hydrogen 2.999 N/A TRP 97.A N HIS 159.A O no hydrogen 2.985 N/A GLN 98.A N GLY 122.A O no hydrogen 3.090 N/A GLN 98.A NE2 ALA 99.A O no hydrogen 3.014 N/A GLN 98.A NE2 ILE 139.A O no hydrogen 2.750 N/A ASN 100.A N ARG 104.A O no hydrogen 2.849 N/A ASN 100.A ND2 PRO 115.A O no hydrogen 2.999 N/A GLY 102.A N ASN 100.A OD1 no hydrogen 2.802 N/A GLY 103.A N ASN 100.A O no hydrogen 2.940 N/A ARG 104.A N ASN 100.A OD1 no hydrogen 2.976 N/A ARG 104.A NE ASP 110.A O no hydrogen 3.292 N/A ARG 104.A NH1 ALA 114.A O no hydrogen 2.794 N/A ARG 104.A NH2 ASP 110.A O no hydrogen 3.255 N/A TYR 105.A N ASP 110.A OD2 no hydrogen 2.596 N/A TYR 105.A OH HIS 159.A NE2 no hydrogen 3.030 N/A ARG 106.A NE PHE 120.A O no hydrogen 2.617 N/A ARG 106.A NH2 ASP 117.A O no hydrogen 2.522 N/A ARG 106.A NH2 PHE 120.A O no hydrogen 3.392 N/A ASN 109.A N HIS 107.A ND1 no hydrogen 3.045 N/A ASP 110.A N HIS 107.A O no hydrogen 2.926 N/A TYR 112.A N ASP 110.A OD1 no hydrogen 3.024 N/A ASN 119.A N ASP 117.A OD1 no hydrogen 2.960 N/A PHE 120.A N ASP 117.A O no hydrogen 2.868 N/A GLY 124.A N MET 96.A O no hydrogen 3.075 N/A ARG 125.A N ASP 60.A O no hydrogen 3.287 N/A ARG 125.A NH1 ASP 60.A OD2 no hydrogen 2.848 N/A CYS 126.A N VAL 94.A O no hydrogen 2.800 N/A CYS 126.A SG LEU 127.A O no hydrogen 3.511 N/A CYS 126.A SG SER 135.A O no hydrogen 4.041 N/A THR 128.A N THR 92.A O no hydrogen 2.833 N/A THR 128.A OG1 VAL 89.A O no hydrogen 2.706 N/A ASP 129.A N TYR 133.A O no hydrogen 3.043 N/A ASP 131.A N ASP 129.A OD1 no hydrogen 2.746 N/A GLY 132.A N ASP 129.A O no hydrogen 2.903 N/A TYR 133.A N ASP 129.A OD1 no hydrogen 2.973 N/A TYR 134.A N GLY 79.A O no hydrogen 2.975 N/A TYR 134.A OH PHE 220.A O no hydrogen 2.579 N/A PHE 136.A N VAL 77.A O no hydrogen 2.777 N/A ARG 137.A N HIS 61.A O no hydrogen 3.172 N/A ARG 137.A NH1 ASP 62.A OD1 no hydrogen 3.193 N/A THR 138.A N ILE 75.A O no hydrogen 2.894 N/A THR 138.A OG1 GLN 98.A OE1 no hydrogen 2.616 N/A THR 138.A OG1 ILE 139.A O no hydrogen 3.296 N/A ILE 139.A N THR 138.A OG1 no hydrogen 2.707 N/A LYS 140.A N GLU 73.A O no hydrogen 2.895 N/A GLY 142.A N ASN 100.A O no hydrogen 3.097 N/A TYR 144.A N ARG 154.A O no hydrogen 3.235 N/A TYR 144.A OH ASP 110.A OD1 no hydrogen 2.828 N/A TRP 146.A N ASP 152.A O no hydrogen 3.184 N/A ASN 148.A N TRP 146.A O no hydrogen 2.985 N/A ASN 148.A ND2 ASP 23.A O no hydrogen 2.761 N/A ASN 148.A ND2 ASP 152.A OD2 no hydrogen 2.727 N/A GLY 149.A N ASP 152.A OD2 no hydrogen 2.660 N/A TRP 153.A NE1 ASN 151.A OD1 no hydrogen 2.811 N/A ARG 154.A N TYR 144.A O no hydrogen 2.709 N/A ARG 154.A NH1 GLN 174.A OE1 no hydrogen 2.639 N/A ARG 154.A NH2 GLN 174.A OE1 no hydrogen 3.220 N/A ARG 154.A NH2 TYR 176.A OH no hydrogen 2.755 N/A ALA 156.A N ASP 180.A OD2 no hydrogen 3.293 N/A HIS 157.A ND1 PRO 155.A O no hydrogen 2.809 N/A HIS 157.A NE2 HIS 159.A NE2 no hydrogen 3.049 N/A ILE 158.A N LEU 175.A O no hydrogen 3.015 N/A HIS 159.A N TRP 97.A O no hydrogen 2.802 N/A HIS 159.A NE2 TYR 105.A OH no hydrogen 3.030 N/A PHE 160.A N THR 173.A O no hydrogen 2.901 N/A GLY 161.A N GLU 95.A O no hydrogen 2.701 N/A ILE 162.A N LEU 171.A O no hydrogen 2.826 N/A SER 163.A N LEU 93.A O no hydrogen 2.954 N/A SER 166.A N THR 169.A OG1 no hydrogen 3.284 N/A ILE 167.A N THR 47.A O no hydrogen 3.001 N/A THR 169.A N SER 166.A O no hydrogen 3.028 N/A THR 169.A OG1 SER 163.A O no hydrogen 3.061 N/A THR 169.A OG1 SER 166.A O no hydrogen 2.811 N/A LYS 170.A N SER 166.A O no hydrogen 3.288 N/A LEU 171.A N ILE 162.A O no hydrogen 2.928 N/A THR 173.A N PHE 160.A O no hydrogen 2.801 N/A GLN 174.A N THR 173.A OG1 no hydrogen 2.665 N/A LEU 175.A N ILE 158.A O no hydrogen 2.868 N/A TYR 176.A N LEU 201.A O no hydrogen 2.740 N/A TYR 176.A OH GLN 174.A OE1 no hydrogen 3.278 N/A GLU 178.A N ALA 203.A O no hydrogen 2.988 N/A ASP 180.A N PHE 177.A O no hydrogen 3.142 N/A LEU 182.A N ASP 180.A OD1 no hydrogen 2.912 N/A ILE 183.A N ASP 180.A O no hydrogen 3.205 N/A MET 185.A N LEU 182.A O no hydrogen 3.000 N/A CYS 186.A N ILE 183.A O no hydrogen 3.421 N/A LYS 190.A N CYS 186.A O no hydrogen 2.830 N/A SER 191.A N ILE 188.A O no hydrogen 3.041 N/A SER 191.A OG ILE 188.A O no hydrogen 2.602 N/A ILE 192.A N VAL 189.A O no hydrogen 2.969 N/A ASN 194.A ND2 GLU 196.A OE1 no hydrogen 2.715 N/A ALA 197.A N ASN 194.A O no hydrogen 2.779 N/A VAL 198.A N ASN 194.A O no hydrogen 3.300 N/A GLN 199.A N PRO 195.A O no hydrogen 3.271 N/A GLN 200.A N ALA 197.A O no hydrogen 3.122 N/A LEU 201.A N VAL 198.A O no hydrogen 3.043 N/A ILE 202.A N GLN 199.A O no hydrogen 3.257 N/A ALA 203.A N TYR 176.A O no hydrogen 2.870 N/A LYS 204.A N ARG 219.A O no hydrogen 3.156 N/A LYS 204.A NZ ILE 202.A O no hydrogen 3.174 N/A LEU 205.A N GLU 178.A OE1 no hydrogen 2.772 N/A ASP 206.A N ALA 217.A O no hydrogen 2.646 N/A ASN 208.A ND2 ASP 206.A OD1 no hydrogen 2.885 N/A ASN 209.A N ASP 206.A O no hydrogen 3.197 N/A ALA 210.A N MET 207.A O no hydrogen 3.320 N/A ASN 211.A N CYS 215.A O no hydrogen 2.855 N/A ASP 214.A N ASN 211.A O no hydrogen 2.848 N/A CYS 215.A N ASN 211.A O no hydrogen 2.972 N/A CYS 215.A SG LEU 216.A O no hydrogen 3.864 N/A LEU 216.A N ARG 74.A O no hydrogen 3.204 N/A TYR 218.A N ILE 76.A O no hydrogen 2.729 N/A ARG 219.A N LYS 204.A O no hydrogen 2.895 N/A ARG 219.A NE ASP 221.A OD2 no hydrogen 3.011 N/A ARG 219.A NH2 ASP 221.A OD2 no hydrogen 3.100 N/A PHE 220.A N ALA 78.A O no hydrogen 2.795 N/A ILE 222.A N ARG 80.A O no hydrogen 2.799 N/A LEU 224.A N VAL 82.A O no hydrogen 2.760 N/A ARG 225.A NE VAL 9.A O no hydrogen 2.701 N/A ARG 225.A NH1 ALA 168.A O no hydrogen 2.949 N/A ARG 225.A NH2 PHE 8.A O no hydrogen 3.563 N/A ARG 225.A NH2 VAL 9.A O no hydrogen 2.816 N/A GLY 226.A N GLN 84.A OE1 no hydrogen 2.992 N/A GLN 227.A N ASP 83.A OD2 no hydrogen 3.016 N/A GLN 227.A NE2 SER 6.A OG no hydrogen 2.584 N/A ARG 228.A N ARG 7.A O no hydrogen 2.880 N/A ARG 228.A NH1 LYS 229.A O no hydrogen 2.641 N/A HIS 231.A ND1 HIS 231.A O no hydrogen 2.599 N/A