Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ca8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N THR 56.A O no hydrogen 2.730 N/A HIS 2.A NE2 GLU 29.A OE1 no hydrogen 2.797 N/A LYS 4.A N LYS 54.A O no hydrogen 2.952 N/A LYS 4.A NZ GLU 31.A OE2 no hydrogen 3.317 N/A VAL 5.A N GLU 29.A O no hydrogen 2.860 N/A ILE 6.A N ALA 52.A O no hydrogen 2.824 N/A TYR 7.A N GLU 31.A O no hydrogen 3.197 N/A GLY 10.A N PHE 8.A O no hydrogen 2.819 N/A ARG 11.A NH1 ASP 169.A OD1 no hydrogen 3.163 N/A ARG 11.A NH2 ASP 169.A OD1 no hydrogen 2.640 N/A ARG 11.A NH2 THR 206.A O no hydrogen 3.221 N/A GLY 12.A N PHE 208.A O no hydrogen 2.750 N/A ARG 13.A N TYR 7.A OH no hydrogen 3.119 N/A ARG 13.A NE SER 68.A OG no hydrogen 3.274 N/A ARG 13.A NH1 GLU 100.A OE2 no hydrogen 3.011 N/A ARG 13.A NH1 TYR 107.A OH no hydrogen 2.711 N/A ARG 13.A NH2 GLU 100.A OE2 no hydrogen 3.530 N/A ARG 18.A N ALA 14.A O no hydrogen 3.111 N/A ARG 18.A NE ASP 30.A OD1 no hydrogen 3.266 N/A ARG 18.A NH1 GLY 10.A O no hydrogen 2.675 N/A ARG 18.A NH1 GLU 15.A OE2 no hydrogen 2.728 N/A ARG 18.A NH2 GLY 10.A O no hydrogen 3.196 N/A MET 19.A N GLU 15.A O no hydrogen 3.006 N/A THR 20.A N SER 16.A O no hydrogen 3.079 N/A THR 20.A OG1 SER 16.A O no hydrogen 2.594 N/A LEU 21.A N ILE 17.A O no hydrogen 3.057 N/A VAL 22.A N ARG 18.A O no hydrogen 2.777 N/A ALA 23.A N MET 19.A O no hydrogen 2.733 N/A ALA 24.A N THR 20.A O no hydrogen 2.765 N/A GLY 25.A N LEU 21.A O no hydrogen 2.770 N/A GLY 25.A N VAL 22.A O no hydrogen 3.023 N/A VAL 26.A N LEU 21.A O no hydrogen 2.793 N/A GLU 29.A N ILE 3.A O no hydrogen 2.717 N/A GLU 31.A N VAL 5.A O no hydrogen 2.840 N/A ARG 32.A NH2 ASP 30.A OD2 no hydrogen 3.151 N/A ILE 33.A N TYR 7.A O no hydrogen 2.886 N/A SER 34.A OG ASP 37.A OD1 no hydrogen 2.739 N/A ASP 37.A N SER 34.A OG no hydrogen 3.012 N/A LYS 40.A N ASP 37.A O no hydrogen 3.279 N/A ILE 41.A N ASP 37.A O no hydrogen 3.251 N/A LYS 42.A N TRP 38.A O no hydrogen 2.825 N/A LYS 42.A NZ GLY 48.A O no hydrogen 2.843 N/A THR 44.A N ILE 41.A O no hydrogen 2.874 N/A THR 44.A OG1 ILE 41.A O no hydrogen 2.642 N/A ILE 45.A N LYS 42.A O no hydrogen 3.265 N/A GLY 48.A N ILE 45.A O no hydrogen 2.626 N/A ALA 52.A N ILE 6.A O no hydrogen 2.985 N/A VAL 53.A N MET 65.A O no hydrogen 2.745 N/A LYS 54.A N LYS 4.A O no hydrogen 2.949 N/A ILE 55.A N LYS 63.A O no hydrogen 2.801 N/A THR 56.A N HIS 2.A O no hydrogen 2.891 N/A ASP 57.A N HIS 61.A O no hydrogen 3.009 N/A HIS 59.A N ASP 57.A OD1 no hydrogen 2.960 N/A HIS 61.A ND1 ASP 57.A OD1 no hydrogen 2.929 N/A LYS 63.A N ILE 55.A O no hydrogen 2.761 N/A MET 65.A N VAL 53.A O no hydrogen 2.768 N/A ILE 71.A N GLU 67.A O no hydrogen 2.932 N/A ALA 72.A N SER 68.A O no hydrogen 2.772 N/A ARG 73.A N LEU 69.A O no hydrogen 2.998 N/A ARG 73.A NE GLU 93.A OE1 no hydrogen 2.688 N/A ARG 73.A NH1 GLU 93.A OE1 no hydrogen 3.485 N/A ARG 73.A NH1 GLU 93.A OE2 no hydrogen 2.647 N/A ARG 73.A NH2 LEU 69.A O no hydrogen 3.557 N/A TYR 74.A N ALA 70.A O no hydrogen 2.972 N/A MET 75.A N ILE 71.A O no hydrogen 2.914 N/A ALA 76.A N ALA 72.A O no hydrogen 2.763 N/A LYS 77.A N ARG 73.A O no hydrogen 2.710 N/A LYS 78.A N TYR 74.A O no hydrogen 2.919 N/A HIS 79.A N MET 75.A O no hydrogen 3.103 N/A HIS 79.A N ALA 76.A O no hydrogen 3.180 N/A HIS 80.A N LYS 77.A O no hydrogen 3.459 N/A MET 81.A N ALA 76.A O no hydrogen 2.825 N/A GLY 84.A N GLU 88.A OE1 no hydrogen 3.164 N/A GLU 88.A N THR 85.A OG1 no hydrogen 3.062 N/A TYR 89.A N THR 85.A O no hydrogen 2.706 N/A TYR 90.A N GLU 86.A O no hydrogen 2.813 N/A ASN 91.A N GLU 87.A O no hydrogen 3.006 N/A ASN 91.A ND2 GLU 87.A OE1 no hydrogen 3.349 N/A VAL 92.A N GLU 88.A O no hydrogen 2.869 N/A GLU 93.A N TYR 89.A O no hydrogen 3.059 N/A LYS 94.A N TYR 90.A O no hydrogen 2.789 N/A LYS 94.A NZ SER 139.A OG no hydrogen 3.273 N/A LEU 95.A N ASN 91.A O no hydrogen 3.144 N/A ILE 96.A N VAL 92.A O no hydrogen 2.909 N/A GLY 97.A N GLU 93.A O no hydrogen 2.846 N/A GLN 98.A N LYS 94.A O no hydrogen 3.054 N/A GLN 98.A NE2 SER 139.A OG no hydrogen 2.547 N/A ALA 99.A N LEU 95.A O no hydrogen 2.970 N/A GLU 100.A N ILE 96.A O no hydrogen 2.862 N/A ASP 101.A N GLY 97.A O no hydrogen 2.895 N/A LEU 102.A N GLN 98.A O no hydrogen 3.319 N/A GLU 103.A N ALA 99.A O no hydrogen 3.002 N/A HIS 104.A N GLU 100.A O no hydrogen 2.904 N/A HIS 104.A ND1 GLU 100.A O no hydrogen 2.776 N/A GLU 105.A N ASP 101.A O no hydrogen 3.136 N/A TYR 106.A N LEU 102.A O no hydrogen 2.986 N/A TYR 107.A N GLU 103.A O no hydrogen 2.816 N/A LYS 108.A N HIS 104.A O no hydrogen 3.362 N/A LYS 108.A N GLU 105.A O no hydrogen 3.228 N/A LYS 108.A NZ GLU 105.A OE1 no hydrogen 3.217 N/A LYS 108.A NZ GLU 105.A OE2 no hydrogen 3.137 N/A THR 109.A N TYR 106.A O no hydrogen 3.051 N/A THR 109.A OG1 TYR 106.A O no hydrogen 2.798 N/A LEU 110.A N TYR 107.A O no hydrogen 3.010 N/A GLU 114.A N LYS 112.A O no hydrogen 2.674 N/A LYS 117.A N GLU 114.A O no hydrogen 2.904 N/A LYS 119.A N GLU 115.A O no hydrogen 3.163 N/A ILE 120.A N GLU 116.A O no hydrogen 2.954 N/A ILE 121.A N LYS 117.A O no hydrogen 2.939 N/A LYS 122.A N GLN 118.A O no hydrogen 3.196 N/A LYS 122.A NZ GLN 118.A O no hydrogen 3.388 N/A LYS 122.A NZ GLN 118.A OE1 no hydrogen 3.362 N/A GLU 123.A N LYS 119.A O no hydrogen 3.222 N/A ILE 124.A N ILE 120.A O no hydrogen 2.878 N/A LEU 125.A N ILE 121.A O no hydrogen 2.836 N/A ASN 126.A N LYS 122.A O no hydrogen 3.043 N/A ASN 126.A ND2.B LYS 122.A O no hydrogen 2.990 N/A GLY 127.A N ILE 124.A O no hydrogen 3.148 N/A VAL 129.A N ILE 124.A O no hydrogen 3.037 N/A LEU 132.A N LYS 128.A O no hydrogen 2.814 N/A LEU 133.A N VAL 129.A O no hydrogen 2.788 N/A ASP 134.A N PRO 130.A O no hydrogen 3.049 N/A ILE 135.A N VAL 131.A O no hydrogen 3.118 N/A ILE 136.A N LEU 132.A O no hydrogen 2.889 N/A CYS 137.A N LEU 133.A O no hydrogen 2.928 N/A CYS 137.A SG LEU 133.A O no hydrogen 3.232 N/A CYS 137.A SG GLU 181.A OE1 no hydrogen 3.397 N/A GLU 138.A N ASP 134.A O no hydrogen 2.948 N/A SER 139.A N ILE 135.A O no hydrogen 2.883 N/A LEU 140.A N ILE 136.A O no hydrogen 2.918 N/A LYS 141.A N CYS 137.A O no hydrogen 2.971 N/A LYS 141.A NZ GLU 138.A OE2 no hydrogen 2.819 N/A ALA 142.A N GLU 138.A O no hydrogen 3.159 N/A SER 143.A N LEU 140.A O no hydrogen 3.165 N/A SER 143.A OG GLY 145.A O no hydrogen 3.494 N/A SER 143.A OG LEU 147.A O no hydrogen 2.753 N/A SER 143.A OG ALA 148.A O no hydrogen 3.271 N/A GLY 145.A N SER 143.A OG no hydrogen 3.163 N/A LYS 146.A N ASP 151.A OD1 no hydrogen 2.751 N/A LEU 147.A N GLY 150.A O no hydrogen 3.119 N/A ALA 148.A N ASP 157.A OD1 no hydrogen 2.958 N/A THR 154.A N ASP 157.A OD2 no hydrogen 2.938 N/A THR 154.A OG1 ASP 157.A OD2 no hydrogen 3.484 N/A LEU 155.A N MET 81.A O no hydrogen 2.876 N/A ASP 157.A N THR 154.A O no hydrogen 3.126 N/A VAL 159.A N LEU 155.A O no hydrogen 2.976 N/A LEU 160.A N ALA 156.A O no hydrogen 3.060 N/A ILE 161.A N ASP 157.A O no hydrogen 3.193 N/A ALA 162.A N LEU 158.A O no hydrogen 3.203 N/A VAL 163.A N VAL 159.A O no hydrogen 3.193 N/A ILE 164.A N LEU 160.A O no hydrogen 3.056 N/A ASP 165.A N ILE 161.A O no hydrogen 3.184 N/A HIS 166.A N ALA 162.A O no hydrogen 3.215 N/A VAL 167.A N VAL 163.A O no hydrogen 2.936 N/A THR 168.A N ILE 164.A O no hydrogen 2.880 N/A THR 168.A OG1 ILE 164.A O no hydrogen 3.216 N/A THR 168.A OG1 ASP 165.A O no hydrogen 3.182 N/A ASP 169.A N ASP 165.A O no hydrogen 2.993 N/A LEU 170.A N VAL 167.A O no hydrogen 2.946 N/A ASP 171.A N VAL 167.A O no hydrogen 3.126 N/A GLU 173.A N ASP 171.A OD1 no hydrogen 3.153 N/A PHE 174.A N ASP 171.A O no hydrogen 3.165 N/A THR 176.A N GLU 173.A O no hydrogen 3.173 N/A THR 176.A OG1 GLU 173.A O no hydrogen 3.553 N/A THR 176.A OG1 GLU 173.A OE2 no hydrogen 2.547 N/A LYS 178.A N LEU 175.A O no hydrogen 3.281 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.884 N/A ILE 182.A N TYR 179.A O no hydrogen 2.972 N/A HIS 183.A NE2 LEU 175.A O no hydrogen 2.576 N/A LYS 184.A N PRO 180.A O no hydrogen 3.018 N/A HIS 185.A N GLU 181.A O no hydrogen 2.987 N/A HIS 185.A NE2 ASP 157.A OD1 no hydrogen 2.638 N/A ARG 186.A N ILE 182.A O no hydrogen 3.067 N/A ARG 186.A NH2 ASP 165.A OD2 no hydrogen 2.641 N/A GLU 187.A N HIS 183.A O no hydrogen 3.013 N/A ASN 188.A N LYS 184.A O no hydrogen 2.816 N/A ASN 188.A ND2 LYS 146.A O no hydrogen 2.782 N/A LEU 189.A N HIS 185.A O no hydrogen 2.843 N/A LEU 190.A N ARG 186.A O no hydrogen 2.989 N/A ALA 191.A N GLU 187.A O no hydrogen 3.177 N/A SER 192.A N ASN 188.A O no hydrogen 2.915 N/A SER 192.A OG ASN 188.A O no hydrogen 3.221 N/A SER 193.A N LEU 189.A O no hydrogen 2.875 N/A ARG 195.A NH1 ALA 23.A O no hydrogen 2.877 N/A LEU 196.A N SER 193.A OG no hydrogen 3.276 N/A ALA 197.A N SER 193.A O no hydrogen 2.795 N/A LYS 198.A N PRO 194.A O no hydrogen 2.847 N/A LYS 198.A NZ ASP 202.A OD2 no hydrogen 3.046 N/A TYR 199.A N ARG 195.A O no hydrogen 3.021 N/A TYR 199.A OH GLU 15.A OE1 no hydrogen 2.763 N/A LEU 200.A N LEU 196.A O no hydrogen 2.872 N/A SER 201.A N ALA 197.A O no hydrogen 3.019 N/A SER 201.A OG ALA 197.A O no hydrogen 3.375 N/A ASP 202.A N LYS 198.A O no hydrogen 3.001 N/A ASP 202.A N TYR 199.A O no hydrogen 3.198 N/A ARG 203.A N TYR 199.A O no hydrogen 3.230 N/A