Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ppj_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLN 156.A OE1 no hydrogen 2.805 N/A SER 1.A OG GLN 156.A OE1 no hydrogen 2.743 N/A LEU 3.A N SER 1.A OG no hydrogen 3.325 N/A TYR 10.A N ASP 125.A OD1 no hydrogen 2.850 N/A TRP 12.A N TYR 10.A O no hydrogen 2.852 N/A TRP 12.A NE1 ASP 125.A OD1 no hydrogen 2.791 N/A HIS 14.A NE2 GLU 124.A OE2 no hydrogen 2.799 N/A ARG 15.A N TRP 12.A O no hydrogen 2.997 N/A ARG 15.A NH1 TYR 10.A O no hydrogen 2.716 N/A ARG 15.A NH1 ASP 125.A OD2 no hydrogen 3.124 N/A ARG 15.A NH2 ASP 125.A OD2 no hydrogen 3.435 N/A SER 19.A N GLY 16.A O no hydrogen 3.025 N/A SER 20.A OG LEU 21.A O no hydrogen 2.931 N/A LEU 21.A N ASP 199.A OD1 no hydrogen 2.944 N/A HIS 23.A ND1 VAL 54.A O no hydrogen 2.599 N/A HIS 23.A NE2 ASP 199.A OD2 no hydrogen 2.745 N/A THR 24.A N ASP 22.A OD1 no hydrogen 3.010 N/A SER 25.A N ASP 22.A OD1 no hydrogen 3.228 N/A SER 25.A OG ASP 185.A OD1 no hydrogen 2.730 N/A SER 25.A OG THR 188.A OG1 no hydrogen 3.346 N/A ILE 26.A N ASP 22.A O no hydrogen 3.083 N/A ARG 27.A N HIS 23.A O no hydrogen 3.010 N/A ARG 27.A NE ASP 172.A OD2 no hydrogen 2.951 N/A ARG 27.A NH1 CYS 55.A O no hydrogen 2.770 N/A ARG 27.A NH1 GLU 60.A OE1 no hydrogen 2.963 N/A ARG 27.A NH1 GLU 60.A OE2 no hydrogen 3.479 N/A ARG 27.A NH2 GLU 60.A OE2 no hydrogen 2.661 N/A ARG 27.A NH2 ASP 172.A OD2 no hydrogen 3.422 N/A ARG 28.A N THR 24.A O no hydrogen 3.001 N/A ARG 28.A NE ASP 185.A OD2 no hydrogen 2.730 N/A ARG 28.A NH1 ASP 173.A OD2 no hydrogen 2.965 N/A ARG 28.A NH2 ASP 185.A OD1 no hydrogen 3.214 N/A GLY 29.A N SER 25.A O no hydrogen 2.838 N/A PHE 30.A N ILE 26.A O no hydrogen 2.897 N/A GLN 31.A N ARG 27.A O no hydrogen 3.352 N/A GLN 31.A NE2 ARG 27.A O no hydrogen 3.238 N/A GLN 31.A NE2 ASP 172.A OD1 no hydrogen 2.767 N/A VAL 32.A N ARG 28.A O no hydrogen 3.128 N/A TYR 33.A N GLY 29.A O no hydrogen 3.058 N/A TYR 33.A OH HIS 41.A O no hydrogen 3.065 N/A LYS 34.A N PHE 30.A O no hydrogen 2.812 N/A LYS 34.A NZ GLN 35.A OE1 no hydrogen 2.759 N/A GLN 35.A N GLN 31.A O no hydrogen 2.904 N/A VAL 36.A N VAL 32.A O no hydrogen 2.736 N/A CYS 37.A SG VAL 32.A O no hydrogen 4.007 N/A SER 38.A N TYR 33.A O no hydrogen 2.801 N/A SER 38.A OG TYR 33.A O no hydrogen 3.212 N/A SER 38.A OG LYS 34.A O no hydrogen 2.526 N/A SER 39.A OG VAL 36.A O no hydrogen 3.513 N/A CYS 40.A N CYS 37.A O no hydrogen 3.017 N/A CYS 40.A SG SER 39.A OG no hydrogen 3.476 N/A HIS 41.A N CYS 37.A O no hydrogen 2.837 N/A HIS 41.A ND1 PRO 111.A O no hydrogen 2.738 N/A SER 42.A OG ASP 112.A OD2 no hydrogen 2.884 N/A ASP 44.A N ASP 112.A OD2 no hydrogen 2.736 N/A TYR 45.A N SER 114.A OG no hydrogen 3.131 N/A VAL 46.A N MET 43.A O no hydrogen 3.279 N/A ALA 47.A N HIS 50.A ND1 no hydrogen 2.964 N/A TYR 48.A N ASP 89.A O no hydrogen 3.201 N/A ARG 49.A N LEU 87.A O no hydrogen 2.873 N/A HIS 50.A N ALA 47.A O no hydrogen 2.895 N/A LEU 51.A N TYR 48.A O no hydrogen 3.150 N/A VAL 52.A N ARG 49.A O no hydrogen 3.208 N/A GLY 53.A N TYR 56.A O no hydrogen 3.127 N/A VAL 54.A N LEU 51.A O no hydrogen 3.139 N/A CYS 55.A N LEU 51.A O no hydrogen 3.165 N/A TYR 56.A N LEU 51.A O no hydrogen 3.349 N/A THR 57.A N GLU 60.A OE1 no hydrogen 2.870 N/A GLU 60.A N THR 57.A OG1 no hydrogen 3.046 N/A ALA 61.A N THR 57.A O no hydrogen 2.989 N/A LYS 62.A N GLU 58.A O no hydrogen 2.938 N/A LYS 62.A NZ GLU 66.A OE2 no hydrogen 2.789 N/A ALA 63.A N ASP 59.A O no hydrogen 3.071 N/A LEU 64.A N GLU 60.A O no hydrogen 2.863 N/A ALA 65.A N ALA 61.A O no hydrogen 2.875 N/A GLU 66.A N LYS 62.A O no hydrogen 2.953 N/A GLU 67.A N LEU 64.A O no hydrogen 3.199 N/A VAL 68.A N ALA 65.A O no hydrogen 3.284 N/A VAL 70.A N ARG 83.A O no hydrogen 2.910 N/A ASP 72.A N PHE 81.A O no hydrogen 2.765 N/A GLY 73.A N ASP 72.A OD1 no hydrogen 2.611 N/A ASN 75.A N GLU 79.A O no hydrogen 2.739 N/A ASN 75.A ND2 GLU 79.A OE2 no hydrogen 3.479 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 3.137 N/A ASP 77.A N ASN 75.A OD1 no hydrogen 2.999 N/A GLY 78.A N ASN 75.A O no hydrogen 2.862 N/A GLU 79.A N ASN 75.A OD1 no hydrogen 2.745 N/A PHE 81.A N ASP 72.A O no hydrogen 2.887 N/A ARG 83.A N VAL 70.A O no hydrogen 3.028 N/A ARG 83.A NE ASP 72.A OD2 no hydrogen 2.772 N/A ARG 83.A NH1 PRO 84.A O no hydrogen 2.986 N/A ARG 83.A NH1 ASP 89.A OD2 no hydrogen 2.741 N/A ARG 83.A NH2 ASP 89.A OD1 no hydrogen 2.785 N/A ARG 83.A NH2 ASP 89.A OD2 no hydrogen 3.306 N/A GLY 85.A N VAL 68.A O no hydrogen 2.992 N/A LYS 86.A N ASP 89.A OD2 no hydrogen 2.764 N/A ASP 89.A N LYS 86.A O no hydrogen 2.889 N/A PHE 91.A N VAL 46.A O no hydrogen 3.040 N/A ALA 100.A N ASN 97.A OD1 no hydrogen 2.771 N/A ALA 101.A N ASN 97.A O no hydrogen 3.100 N/A ARG 102.A N PRO 98.A O no hydrogen 2.889 N/A ARG 102.A NH1 GLY 107.A O no hydrogen 2.660 N/A ALA 103.A N GLU 99.A O no hydrogen 2.919 N/A ALA 104.A N ALA 100.A O no hydrogen 2.954 N/A ALA 104.A N ALA 101.A O no hydrogen 3.257 N/A ASN 105.A N ARG 102.A O no hydrogen 2.994 N/A ASN 105.A ND2 TYR 95.A OH no hydrogen 3.008 N/A ASN 105.A ND2 ALA 101.A O no hydrogen 2.782 N/A GLY 107.A N ARG 102.A O no hydrogen 2.703 N/A ALA 108.A N ASN 105.A O no hydrogen 2.959 N/A LEU 113.A N SER 42.A O no hydrogen 2.958 N/A SER 114.A N ASP 112.A OD1 no hydrogen 2.898 N/A SER 114.A OG ASP 112.A OD1 no hydrogen 2.731 N/A ILE 116.A N LEU 113.A O no hydrogen 3.292 N/A ARG 118.A N TYR 115.A O no hydrogen 2.773 N/A ARG 118.A NH1 ALA 194.A O no hydrogen 3.028 N/A ARG 118.A NH1 GLU 197.A OE2 no hydrogen 3.044 N/A ALA 119.A N TYR 115.A O no hydrogen 2.736 N/A ARG 120.A NH1 ALA 119.A O no hydrogen 2.943 N/A GLY 123.A N ARG 120.A O no hydrogen 3.028 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.491 N/A ASP 125.A N GLY 122.A O no hydrogen 2.896 N/A TYR 126.A N GLY 122.A O no hydrogen 3.270 N/A TYR 126.A N GLY 123.A O no hydrogen 2.986 N/A VAL 127.A N GLY 123.A O no hydrogen 3.127 N/A PHE 128.A N GLU 124.A O no hydrogen 2.845 N/A SER 129.A N ASP 125.A O no hydrogen 3.071 N/A SER 129.A OG ASP 125.A O no hydrogen 2.812 N/A LEU 130.A N TYR 126.A O no hydrogen 2.830 N/A LEU 131.A N VAL 127.A O no hydrogen 2.867 N/A THR 132.A N PHE 128.A O no hydrogen 2.973 N/A THR 132.A OG1 PHE 128.A O no hydrogen 2.956 N/A GLY 133.A N LEU 130.A O no hydrogen 3.278 N/A TYR 134.A OH MET 160.A O no hydrogen 2.745 N/A CYS 135.A SG GLU 136.A O no hydrogen 3.675 N/A VAL 141.A N PRO 138.A O no hydrogen 3.021 N/A LEU 147.A N ARG 144.A O no hydrogen 3.207 N/A TYR 148.A N ILE 158.A O no hydrogen 2.725 N/A ASN 150.A N GLN 156.A O no hydrogen 2.844 N/A ASN 150.A ND2 LEU 130.A O no hydrogen 2.845 N/A TYR 152.A N ASN 150.A OD1 no hydrogen 3.063 N/A PHE 153.A N ASN 150.A O no hydrogen 3.166 N/A GLN 156.A N PHE 153.A O no hydrogen 2.726 N/A GLN 156.A NE2 LEU 3.A O no hydrogen 3.164 N/A ILE 158.A N TYR 148.A O no hydrogen 2.824 N/A GLU 167.A N ALA 177.A O no hydrogen 2.850 N/A VAL 168.A N TYR 165.A O no hydrogen 3.084 N/A ASP 172.A N GLN 31.A OE1 no hydrogen 2.880 N/A GLY 174.A N PHE 171.A O no hydrogen 3.341 N/A THR 175.A N ASP 173.A OD1 no hydrogen 2.879 N/A THR 175.A OG1 ASP 173.A OD1 no hydrogen 2.469 N/A THR 178.A N PRO 176.A O no hydrogen 3.042 N/A MET 179.A N ASN 166.A OD1 no hydrogen 2.957 N/A GLN 181.A N THR 178.A OG1 no hydrogen 3.370 N/A GLN 181.A NE2 ASP 185.A OD1 no hydrogen 3.412 N/A GLN 181.A NE2 ASP 185.A OD2 no hydrogen 2.963 N/A VAL 182.A N THR 178.A O no hydrogen 2.975 N/A ALA 183.A N MET 179.A O no hydrogen 3.003 N/A LYS 184.A N SER 180.A O no hydrogen 2.991 N/A LYS 184.A NZ SER 25.A OG no hydrogen 3.043 N/A ASP 185.A N GLN 181.A O no hydrogen 2.997 N/A VAL 186.A N VAL 182.A O no hydrogen 2.985 N/A CYS 187.A N ALA 183.A O no hydrogen 2.942 N/A CYS 187.A SG GLU 124.A O no hydrogen 3.815 N/A CYS 187.A SG ALA 183.A O no hydrogen 3.250 N/A THR 188.A N LYS 184.A O no hydrogen 3.209 N/A THR 188.A OG1 SER 25.A OG no hydrogen 3.346 N/A THR 188.A OG1 LYS 184.A O no hydrogen 2.864 N/A PHE 189.A N ASP 185.A O no hydrogen 2.978 N/A LEU 190.A N VAL 186.A O no hydrogen 2.809 N/A ARG 191.A N CYS 187.A O no hydrogen 2.994 N/A ARG 191.A N THR 188.A O no hydrogen 3.150 N/A ARG 191.A NE GLU 195.A OE1 no hydrogen 3.372 N/A ARG 191.A NH1 GLU 124.A OE1 no hydrogen 2.878 N/A ARG 191.A NH1 GLU 124.A OE2 no hydrogen 3.536 N/A ARG 191.A NH2 GLU 195.A OE1 no hydrogen 2.904 N/A TRP 192.A N THR 188.A O no hydrogen 3.149 N/A ALA 193.A N PHE 189.A O no hydrogen 2.886 N/A ALA 194.A N LEU 190.A O no hydrogen 3.074 N/A GLU 195.A N ARG 191.A O no hydrogen 2.915 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.733 N/A HIS 198.A N GLU 195.A O no hydrogen 2.928 N/A HIS 198.A ND1 ASP 199.A OD1 no hydrogen 2.802 N/A ARG 201.A N GLU 197.A O no hydrogen 2.941 N/A ARG 201.A NE GLU 195.A OE2 no hydrogen 2.847 N/A ARG 201.A NH2 GLU 195.A OE1 no hydrogen 3.478 N/A ARG 201.A NH2 GLU 195.A OE2 no hydrogen 3.428 N/A LYS 202.A N HIS 198.A O no hydrogen 3.488 N/A LYS 202.A NZ GLY 16.A O no hydrogen 2.789 N/A LYS 202.A NZ SER 19.A O no hydrogen 2.919 N/A LYS 202.A NZ HIS 198.A NE2 no hydrogen 3.223 N/A ARG 203.A N ASP 199.A O no hydrogen 3.170 N/A MET 204.A N HIS 200.A O no hydrogen 2.937 N/A GLY 205.A N ARG 201.A O no hydrogen 2.721 N/A LEU 206.A N LYS 202.A O no hydrogen 3.011 N/A LYS 207.A N ARG 203.A O no hydrogen 3.262 N/A MET 208.A N MET 204.A O no hydrogen 2.841 N/A LEU 209.A N GLY 205.A O no hydrogen 2.893 N/A LEU 210.A N LEU 206.A O no hydrogen 2.954 N/A MET 211.A N LYS 207.A O no hydrogen 2.922 N/A MET 212.A N MET 208.A O no hydrogen 2.896 N/A GLY 213.A N LEU 209.A O no hydrogen 2.865 N/A LEU 214.A N MET 211.A O no hydrogen 3.241 N/A LEU 215.A N MET 211.A O no hydrogen 2.893 N/A LEU 216.A N MET 212.A O no hydrogen 2.992 N/A LEU 218.A N LEU 214.A O no hydrogen 3.473 N/A VAL 219.A N LEU 215.A O no hydrogen 2.908 N/A TYR 220.A N LEU 216.A O no hydrogen 2.936 N/A ALA 221.A N PRO 217.A O no hydrogen 2.958 N/A MET 222.A N LEU 218.A O no hydrogen 3.001 N/A LYS 223.A N VAL 219.A O no hydrogen 2.909 N/A ARG 224.A N TYR 220.A O no hydrogen 2.990 N/A HIS 225.A N ALA 221.A O no hydrogen 2.921 N/A LYS 226.A N MET 222.A O no hydrogen 3.129 N/A TRP 227.A N LYS 223.A O no hydrogen 2.998 N/A SER 228.A N ARG 224.A O no hydrogen 2.922 N/A SER 228.A N HIS 225.A O no hydrogen 3.320 N/A SER 228.A OG HIS 225.A O no hydrogen 2.558 N/A VAL 229.A N LYS 226.A O no hydrogen 3.475 N/A LEU 230.A N TRP 227.A O no hydrogen 2.892 N/A LYS 231.A N TRP 227.A O no hydrogen 2.787 N/A SER 232.A N SER 228.A O no hydrogen 3.092 N/A SER 232.A OG SER 228.A O no hydrogen 3.017 N/A ARG 233.A N LEU 230.A O no hydrogen 3.344 N/A