Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pja_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ARG 179.A O no hydrogen 3.350 N/A ARG 2.A NH2 LEU 177.A O no hydrogen 2.623 N/A ARG 2.A NH2 ARG 179.A O no hydrogen 2.994 N/A HIS 4.A N LEU 101.A O no hydrogen 3.054 N/A HIS 4.A ND1 ASP 30.A OD1 no hydrogen 3.278 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.735 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.979 N/A LEU 6.A N CYS 99.A O no hydrogen 2.882 N/A ARG 7.A N TYR 28.A O no hydrogen 2.960 N/A TYR 8.A N ILE 97.A O no hydrogen 2.936 N/A PHE 9.A N VAL 26.A O no hydrogen 2.885 N/A ARG 10.A N ARG 95.A O no hydrogen 2.914 N/A LEU 11.A N ILE 24.A O no hydrogen 2.731 N/A GLY 12.A N TYR 93.A O no hydrogen 2.744 N/A VAL 13.A N GLU 22.A O no hydrogen 3.110 N/A SER 14.A N HIS 91.A O no hydrogen 2.907 N/A SER 14.A OG GLN 82.A OE1 no hydrogen 2.607 N/A SER 14.A OG GLY 89.A O no hydrogen 3.222 N/A SER 14.A OG HIS 91.A O no hydrogen 3.540 N/A GLU 22.A N SER 39.A OG no hydrogen 3.078 N/A PHE 23.A N SER 39.A OG no hydrogen 3.259 N/A ILE 24.A N LEU 11.A O no hydrogen 3.002 N/A SER 25.A N TYR 37.A O no hydrogen 2.813 N/A SER 25.A OG PHE 9.A O no hydrogen 3.056 N/A VAL 26.A N PHE 9.A O no hydrogen 3.094 N/A GLY 27.A N THR 35.A O no hydrogen 2.988 N/A TYR 28.A N ARG 7.A O no hydrogen 2.796 N/A VAL 29.A N HIS 32.A O no hydrogen 2.980 N/A ASP 30.A N SER 5.A O no hydrogen 2.860 N/A HIS 32.A N VAL 29.A O no hydrogen 2.997 N/A HIS 32.A NE2 TYR 207.A OH no hydrogen 2.696 N/A ILE 34.A N GLY 27.A O no hydrogen 2.904 N/A THR 36.A N GLU 45.A O no hydrogen 2.850 N/A TYR 37.A N SER 25.A O no hydrogen 2.809 N/A TYR 37.A OH GLN 71.A OE1 no hydrogen 2.600 N/A SER 39.A N PHE 23.A O no hydrogen 2.828 N/A SER 39.A OG PHE 23.A O no hydrogen 3.561 N/A VAL 40.A N ASP 38.A OD2 no hydrogen 2.983 N/A THR 41.A N ASP 38.A OD2 no hydrogen 2.933 N/A THR 41.A OG1 ASP 38.A O no hydrogen 3.518 N/A THR 41.A OG1 GLN 43.A O no hydrogen 3.380 N/A ARG 42.A N ASP 38.A O no hydrogen 3.047 N/A GLN 43.A N THR 41.A OG1 no hydrogen 3.337 N/A LYS 44.A N THR 64.A OG1 no hydrogen 2.929 N/A LYS 44.A NZ HIS 59.A NE2 no hydrogen 3.063 N/A GLU 45.A N THR 36.A O no hydrogen 2.827 N/A ARG 47.A N ILE 34.A O no hydrogen 2.786 N/A ARG 47.A NH1 PRO 46.A O no hydrogen 2.937 N/A MET 51.A N ALA 48.A O no hydrogen 3.206 N/A ALA 52.A N ALA 48.A O no hydrogen 3.177 N/A GLU 53.A N PRO 49.A O no hydrogen 2.854 N/A ASN 54.A N MET 51.A O no hydrogen 3.304 N/A ASN 54.A ND2 TRP 50.A O no hydrogen 2.838 N/A LEU 55.A N MET 51.A O no hydrogen 3.121 N/A HIS 59.A N ALA 56.A O no hydrogen 3.024 N/A TRP 60.A NE1 LEU 55.A O no hydrogen 2.966 N/A GLU 61.A N PRO 57.A O no hydrogen 2.816 N/A ARG 62.A N ASP 58.A O no hydrogen 3.017 N/A TYR 63.A N HIS 59.A O no hydrogen 2.988 N/A THR 64.A N TRP 60.A O no hydrogen 2.936 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.740 N/A GLN 65.A N ARG 62.A O no hydrogen 2.988 N/A LEU 66.A N ARG 62.A O no hydrogen 3.243 N/A LEU 67.A N TYR 63.A O no hydrogen 2.821 N/A ARG 68.A N THR 64.A O no hydrogen 2.973 N/A ARG 68.A NE ARG 42.A O no hydrogen 2.977 N/A ARG 68.A NH2 ARG 42.A O no hydrogen 3.061 N/A GLY 69.A N GLN 65.A O no hydrogen 3.088 N/A TRP 70.A N LEU 66.A O no hydrogen 2.744 N/A GLN 71.A N LEU 67.A O no hydrogen 2.829 N/A GLN 72.A N ARG 68.A O no hydrogen 3.399 N/A MET 73.A N GLY 69.A O no hydrogen 3.125 N/A PHE 74.A N TRP 70.A O no hydrogen 2.970 N/A LYS 75.A N GLN 71.A O no hydrogen 3.174 N/A VAL 76.A N GLN 72.A O no hydrogen 3.272 N/A GLU 77.A N MET 73.A O no hydrogen 2.903 N/A LEU 78.A N PHE 74.A O no hydrogen 3.048 N/A LYS 79.A N LYS 75.A O no hydrogen 3.287 N/A ARG 80.A N VAL 76.A O no hydrogen 3.099 N/A LEU 81.A N GLU 77.A O no hydrogen 3.091 N/A GLN 82.A N LEU 78.A O no hydrogen 3.059 N/A GLN 82.A NE2 HIS 87.A O no hydrogen 3.324 N/A GLN 82.A NE2 GLY 89.A O no hydrogen 3.394 N/A ARG 83.A N LYS 79.A O no hydrogen 3.102 N/A HIS 84.A N ARG 80.A O no hydrogen 2.996 N/A TYR 85.A N LEU 81.A O no hydrogen 2.850 N/A TYR 85.A OH ASP 134.A OD1 no hydrogen 2.705 N/A TYR 85.A OH ASP 134.A OD2 no hydrogen 3.395 N/A ASN 86.A N ARG 83.A O no hydrogen 3.291 N/A HIS 87.A N GLN 82.A O no hydrogen 2.850 N/A HIS 87.A ND1 TYR 115.A OH no hydrogen 2.760 N/A SER 90.A OG SER 14.A O no hydrogen 2.606 N/A SER 90.A OG ASP 15.A O no hydrogen 3.348 N/A HIS 91.A N SER 14.A OG no hydrogen 2.964 N/A HIS 91.A ND1 ASP 116.A OD1 no hydrogen 3.178 N/A HIS 91.A ND1 ASP 116.A OD2 no hydrogen 2.744 N/A HIS 91.A NE2 SER 88.A O no hydrogen 2.785 N/A THR 92.A N ASP 116.A OD1 no hydrogen 3.172 N/A THR 92.A OG1 GLN 94.A OE1 no hydrogen 3.406 N/A TYR 93.A N GLY 12.A O no hydrogen 2.805 N/A TYR 93.A OH GLU 77.A OE1 no hydrogen 2.682 N/A GLN 94.A N ALA 114.A O no hydrogen 2.934 N/A ARG 95.A N ARG 10.A O no hydrogen 2.924 N/A ARG 95.A NE TYR 113.A OH no hydrogen 3.022 N/A MET 96.A N GLN 112.A O no hydrogen 2.947 N/A ILE 97.A N TYR 8.A O no hydrogen 3.056 N/A GLY 98.A N PHE 110.A O no hydrogen 2.914 N/A CYS 99.A N LEU 6.A O no hydrogen 2.800 N/A GLU 100.A N THR 108.A O no hydrogen 2.858 N/A LEU 101.A N HIS 4.A O no hydrogen 2.908 N/A LEU 102.A N SER 106.A O no hydrogen 2.829 N/A GLY 105.A N LEU 102.A O no hydrogen 3.021 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 2.706 N/A THR 108.A N GLU 100.A O no hydrogen 3.104 N/A THR 108.A OG1 GLU 100.A OE1 no hydrogen 2.902 N/A PHE 110.A N GLY 98.A O no hydrogen 2.927 N/A GLN 112.A N MET 96.A O no hydrogen 2.931 N/A TYR 113.A N LEU 121.A O no hydrogen 2.875 N/A ALA 114.A N GLN 94.A O no hydrogen 2.897 N/A TYR 115.A N GLN 118.A O no hydrogen 3.158 N/A TYR 115.A OH HIS 87.A ND1 no hydrogen 2.760 N/A ASP 116.A N THR 92.A O no hydrogen 3.017 N/A GLN 118.A N TYR 115.A O no hydrogen 3.288 N/A PHE 120.A N TYR 113.A O no hydrogen 2.755 N/A LEU 121.A N TYR 113.A O no hydrogen 3.275 N/A ILE 122.A N LEU 131.A O no hydrogen 3.081 N/A PHE 123.A N LEU 111.A O no hydrogen 2.842 N/A ASN 124.A N SER 129.A O no hydrogen 2.794 N/A LYS 125.A NZ ASP 126.A OD2 no hydrogen 3.504 N/A LYS 125.A NZ GLU 159.A OE2 no hydrogen 3.073 N/A SER 129.A N ASN 124.A O no hydrogen 3.101 N/A SER 129.A OG GLU 145.A OE2 no hydrogen 3.485 N/A TRP 130.A N GLU 145.A OE2 no hydrogen 2.762 N/A LEU 131.A N ILE 122.A O no hydrogen 2.789 N/A VAL 133.A N PHE 120.A O no hydrogen 3.248 N/A ALA 137.A N ASP 134.A OD2 no hydrogen 2.925 N/A HIS 138.A N ASP 134.A O no hydrogen 3.025 N/A THR 139.A N ASN 135.A O no hydrogen 3.269 N/A THR 139.A N VAL 136.A O no hydrogen 3.061 N/A THR 139.A OG1 ASN 135.A O no hydrogen 3.301 N/A ILE 140.A N VAL 136.A O no hydrogen 3.308 N/A LYS 141.A N ALA 137.A O no hydrogen 2.781 N/A LYS 141.A NZ TRP 130.A O no hydrogen 2.759 N/A LYS 141.A NZ GLU 145.A OE1 no hydrogen 3.554 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 2.871 N/A GLN 142.A N HIS 138.A O no hydrogen 3.077 N/A ALA 143.A N THR 139.A O no hydrogen 3.260 N/A TRP 144.A N ILE 140.A O no hydrogen 2.759 N/A GLU 145.A N LYS 141.A O no hydrogen 2.736 N/A ALA 146.A N ALA 143.A O no hydrogen 3.182 N/A HIS 149.A N ASN 147.A OD1 no hydrogen 3.189 N/A LEU 151.A N ASN 147.A O no hydrogen 3.389 N/A LEU 152.A N GLN 148.A O no hydrogen 3.060 N/A TYR 153.A N HIS 149.A O no hydrogen 2.959 N/A GLN 154.A N GLU 150.A O no hydrogen 3.124 N/A LYS 155.A N LEU 151.A O no hydrogen 3.075 N/A LYS 155.A NZ LYS 125.A O no hydrogen 3.197 N/A LYS 155.A NZ GLU 159.A OE2 no hydrogen 2.645 N/A ASN 156.A N LEU 152.A O no hydrogen 2.988 N/A TRP 157.A N TYR 153.A O no hydrogen 2.847 N/A LEU 158.A N GLN 154.A O no hydrogen 2.926 N/A GLU 159.A N LYS 155.A O no hydrogen 3.117 N/A GLU 160.A N ASN 156.A O no hydrogen 2.805 N/A CYS 162.A N TRP 157.A O no hydrogen 2.757 N/A ALA 164.A N GLU 160.A O no hydrogen 3.055 N/A TRP 165.A N GLU 161.A O no hydrogen 2.963 N/A LEU 166.A N CYS 162.A O no hydrogen 2.915 N/A LYS 167.A N ILE 163.A O no hydrogen 2.998 N/A ARG 168.A N ALA 164.A O no hydrogen 3.118 N/A ARG 168.A NE TYR 172.A OH no hydrogen 2.853 N/A PHE 169.A N TRP 165.A O no hydrogen 2.990 N/A LEU 170.A N LEU 166.A O no hydrogen 2.788 N/A GLU 171.A N LYS 167.A O no hydrogen 3.192 N/A GLU 171.A N ARG 168.A O no hydrogen 3.145 N/A TYR 172.A N ARG 168.A O no hydrogen 3.176 N/A GLY 173.A N PHE 169.A O no hydrogen 2.985 N/A LYS 174.A N GLU 171.A O no hydrogen 3.202 N/A LYS 174.A NZ GLU 171.A OE1 no hydrogen 3.203 N/A THR 176.A N GLY 173.A O no hydrogen 2.818 N/A LEU 177.A N GLY 173.A O no hydrogen 2.826 N/A GLN 178.A N LYS 174.A O no hydrogen 2.927 N/A GLN 178.A NE2 LEU 170.A O no hydrogen 2.773 N/A ARG 179.A NE GLU 181.A OE2 no hydrogen 3.097 N/A ARG 179.A NH1 THR 176.A O no hydrogen 2.759 N/A ARG 179.A NH2 GLU 181.A OE2 no hydrogen 3.348 N/A ARG 179.A NH2 GLY 237.A O no hydrogen 2.846 N/A GLU 181.A N TYR 207.A O no hydrogen 2.708 N/A LEU 184.A N HIS 204.A O no hydrogen 2.677 N/A ARG 186.A N LYS 202.A O no hydrogen 2.843 N/A ARG 186.A NH1 HIS 204.A ND1 no hydrogen 3.060 N/A ASN 188.A N PHE 200.A O no hydrogen 2.819 N/A LYS 190.A N ALA 198.A O no hydrogen 3.270 N/A THR 192.A N VAL 196.A O no hydrogen 2.660 N/A THR 192.A OG1 VAL 196.A O no hydrogen 2.714 N/A VAL 196.A N PHE 193.A O no hydrogen 2.899 N/A ALA 198.A N LYS 190.A O no hydrogen 2.895 N/A LEU 199.A N ILE 245.A O no hydrogen 2.963 N/A PHE 200.A N ASN 188.A O no hydrogen 2.755 N/A CYS 201.A N ALA 243.A O no hydrogen 2.877 N/A LYS 202.A N ARG 186.A O no hydrogen 2.803 N/A ALA 203.A N ALA 241.A O no hydrogen 2.765 N/A HIS 204.A N LEU 184.A O no hydrogen 2.919 N/A PHE 206.A N TYR 239.A O no hydrogen 3.237 N/A TYR 207.A N GLU 181.A O no hydrogen 2.967 N/A TYR 207.A OH HIS 32.A NE2 no hydrogen 2.696 N/A TYR 212.A N GLU 254.A O no hydrogen 2.840 N/A THR 214.A N HIS 252.A O no hydrogen 2.980 N/A THR 214.A OG1 TRP 215.A O no hydrogen 3.533 N/A TRP 215.A NE1 ALA 243.A O no hydrogen 2.906 N/A MET 216.A N SER 250.A O no hydrogen 2.805 N/A LYS 217.A N GLU 220.A O no hydrogen 2.994 N/A ASN 218.A N LEU 248.A O no hydrogen 3.065 N/A GLU 220.A N LYS 217.A O no hydrogen 3.225 N/A ILE 222.A N TRP 215.A O no hydrogen 3.350 N/A ASP 227.A N SER 244.A O no hydrogen 2.909 N/A GLY 229.A N TRP 242.A O no hydrogen 2.872 N/A LEU 232.A N GLN 240.A O no hydrogen 2.852 N/A SER 234.A N THR 238.A O no hydrogen 2.848 N/A SER 234.A OG GLN 240.A OE1 no hydrogen 3.096 N/A THR 238.A N ASP 236.A OD1 no hydrogen 3.093 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.532 N/A THR 238.A OG1 ASP 236.A OD2 no hydrogen 3.443 N/A TYR 239.A N PHE 206.A O no hydrogen 2.702 N/A GLN 240.A N LEU 232.A O no hydrogen 2.978 N/A ALA 241.A N ALA 203.A O no hydrogen 2.894 N/A ALA 243.A N CYS 201.A O no hydrogen 3.076 N/A SER 244.A N ASP 227.A O no hydrogen 2.821 N/A ILE 245.A N LEU 199.A O no hydrogen 3.084 N/A SER 250.A N MET 216.A O no hydrogen 2.981 N/A SER 250.A OG HIS 252.A NE2 no hydrogen 3.331 N/A CYS 251.A N LEU 262.A O no hydrogen 2.806 N/A CYS 251.A SG THR 214.A O no hydrogen 3.824 N/A HIS 252.A N THR 214.A O no hydrogen 2.652 N/A HIS 252.A ND1 HIS 259.A NE2 no hydrogen 2.881 N/A VAL 253.A N MET 260.A O no hydrogen 2.777 N/A GLU 254.A N TYR 212.A O no hydrogen 2.826 N/A HIS 255.A N VAL 258.A O no hydrogen 3.041 N/A HIS 255.A NE2 PRO 208.A O no hydrogen 3.073 N/A VAL 258.A N HIS 255.A O no hydrogen 3.081 N/A MET 260.A N VAL 253.A O no hydrogen 2.729 N/A LEU 262.A N CYS 251.A O no hydrogen 2.888 N/A VAL 264.A N TYR 249.A O no hydrogen 3.130 N/A