Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2i21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 MET 56.A O no hydrogen 2.746 N/A ARG 3.A NH1 TYR 75.A OH no hydrogen 2.867 N/A ARG 3.A NH2 LEU 57.A O no hydrogen 3.000 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.677 N/A TRP 6.A N ARG 3.A O no hydrogen 2.760 N/A TRP 8.A N GLU 5.A O no hydrogen 3.243 N/A LEU 9.A N GLU 5.A O no hydrogen 3.294 N/A ALA 10.A N TRP 6.A O no hydrogen 2.764 N/A LEU 11.A N ILE 7.A O no hydrogen 2.804 N/A GLY 12.A N TRP 8.A O no hydrogen 2.776 N/A THR 13.A N LEU 9.A O no hydrogen 2.861 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.814 N/A ALA 14.A N ALA 10.A O no hydrogen 2.936 N/A LEU 15.A N LEU 11.A O no hydrogen 2.808 N/A MET 16.A N GLY 12.A O no hydrogen 2.970 N/A GLY 17.A N THR 13.A O no hydrogen 3.000 N/A LEU 18.A N ALA 14.A O no hydrogen 2.923 N/A GLY 19.A N LEU 15.A O no hydrogen 2.941 N/A THR 20.A N MET 16.A O no hydrogen 2.891 N/A THR 20.A OG1 MET 16.A O no hydrogen 2.778 N/A LEU 21.A N GLY 17.A O no hydrogen 3.053 N/A TYR 22.A N LEU 18.A O no hydrogen 2.897 N/A PHE 23.A N GLY 19.A O no hydrogen 2.874 N/A LEU 24.A N THR 20.A O no hydrogen 2.866 N/A VAL 25.A N LEU 21.A O no hydrogen 2.879 N/A LYS 26.A N TYR 22.A O no hydrogen 2.873 N/A GLY 27.A N PHE 23.A O no hydrogen 2.888 N/A MET 28.A N VAL 25.A O no hydrogen 3.007 N/A VAL 30.A N GLY 27.A O no hydrogen 3.251 N/A ALA 35.A N ASP 32.A OD2 no hydrogen 2.809 N/A LYS 36.A N ASP 32.A O no hydrogen 2.879 N/A LYS 37.A N PRO 33.A O no hydrogen 3.216 N/A PHE 38.A N ASP 34.A O no hydrogen 3.327 N/A TYR 39.A N ALA 35.A O no hydrogen 2.826 N/A ALA 40.A N LYS 36.A O no hydrogen 3.090 N/A ILE 41.A N LYS 37.A O no hydrogen 3.039 N/A VAL 42.A N PHE 38.A O no hydrogen 2.718 N/A THR 43.A N TYR 39.A O no hydrogen 2.886 N/A THR 43.A OG1 TYR 39.A O no hydrogen 2.991 N/A LEU 44.A N ALA 40.A O no hydrogen 2.878 N/A VAL 45.A N ILE 41.A O no hydrogen 3.259 N/A ALA 47.A N THR 43.A O no hydrogen 3.218 N/A ILE 48.A N LEU 44.A O no hydrogen 3.008 N/A ALA 49.A N VAL 45.A O no hydrogen 3.074 N/A PHE 50.A N PRO 46.A O no hydrogen 2.838 N/A THR 51.A N ALA 47.A O no hydrogen 3.243 N/A THR 51.A OG1 ILE 48.A O no hydrogen 2.797 N/A MET 52.A N ILE 48.A O no hydrogen 3.055 N/A TYR 53.A N ALA 49.A O no hydrogen 2.675 N/A TYR 53.A OH ASP 203.A OD2 no hydrogen 2.512 N/A LEU 54.A N PHE 50.A O no hydrogen 2.847 N/A SER 55.A N THR 51.A O no hydrogen 2.997 N/A SER 55.A OG MET 52.A O no hydrogen 3.086 N/A MET 56.A N MET 52.A O no hydrogen 3.038 N/A LEU 57.A N TYR 53.A O no hydrogen 2.867 N/A LEU 58.A N LEU 54.A O no hydrogen 2.932 N/A GLY 59.A N MET 56.A O no hydrogen 3.023 N/A GLY 61.A N SER 55.A O no hydrogen 2.987 N/A THR 63.A N ILE 74.A O no hydrogen 2.901 N/A VAL 65.A N ASN 72.A O no hydrogen 2.623 N/A PHE 67.A N GLU 70.A O no hydrogen 3.082 N/A GLU 70.A N PHE 67.A O no hydrogen 3.031 N/A ASN 72.A N VAL 65.A O no hydrogen 2.930 N/A ASN 72.A ND2 VAL 65.A O no hydrogen 2.662 N/A ASN 72.A ND2 PHE 67.A O no hydrogen 3.083 N/A ILE 74.A N THR 63.A O no hydrogen 2.582 N/A TYR 75.A OH GLU 5.A OE2 no hydrogen 2.571 N/A ALA 77.A N GLY 61.A O no hydrogen 3.250 N/A TYR 79.A N TRP 76.A O no hydrogen 3.048 N/A ASP 81.A N ALA 77.A O no hydrogen 3.174 N/A TRP 82.A N ARG 78.A O no hydrogen 2.899 N/A LEU 83.A N TYR 79.A O no hydrogen 2.761 N/A PHE 84.A N ASP 81.A O no hydrogen 3.015 N/A THR 85.A N ASP 81.A O no hydrogen 2.834 N/A THR 85.A OG1 ASP 81.A O no hydrogen 3.079 N/A THR 85.A OG1 ASP 81.A OD1 no hydrogen 2.755 N/A THR 86.A N TRP 82.A O no hydrogen 3.037 N/A THR 86.A OG1 TRP 82.A O no hydrogen 2.610 N/A THR 86.A OG1 ASP 111.A OD1 no hydrogen 2.565 N/A THR 86.A OG1 ASP 111.A OD2 no hydrogen 3.162 N/A LEU 88.A N PHE 84.A O no hydrogen 3.408 N/A LEU 89.A N THR 85.A O no hydrogen 2.921 N/A LEU 90.A N THR 86.A O no hydrogen 3.044 N/A LEU 91.A N PRO 87.A O no hydrogen 2.768 N/A ASP 92.A N LEU 88.A O no hydrogen 2.992 N/A LEU 93.A N LEU 89.A O no hydrogen 3.371 N/A ALA 94.A N LEU 90.A O no hydrogen 2.914 N/A LEU 95.A N LEU 91.A O no hydrogen 2.915 N/A LEU 96.A N ASP 92.A O no hydrogen 3.330 N/A VAL 97.A N LEU 93.A O no hydrogen 3.252 N/A ASP 98.A N LEU 95.A O no hydrogen 3.006 N/A ALA 99.A N ALA 94.A O no hydrogen 2.697 N/A ILE 104.A N ASP 100.A O no hydrogen 3.249 N/A LEU 105.A N GLN 101.A O no hydrogen 2.975 N/A ALA 106.A N GLY 102.A O no hydrogen 3.027 N/A LEU 107.A N THR 103.A O no hydrogen 2.903 N/A VAL 108.A N ILE 104.A O no hydrogen 2.780 N/A GLY 109.A N LEU 105.A O no hydrogen 2.988 N/A ALA 110.A N ALA 106.A O no hydrogen 2.921 N/A ASP 111.A N LEU 107.A O no hydrogen 2.820 N/A GLY 112.A N VAL 108.A O no hydrogen 2.816 N/A ILE 113.A N GLY 109.A O no hydrogen 3.024 N/A MET 114.A N ALA 110.A O no hydrogen 2.881 N/A ILE 115.A N ASP 111.A O no hydrogen 2.985 N/A GLY 116.A N GLY 112.A O no hydrogen 2.803 N/A THR 117.A N ILE 113.A O no hydrogen 2.867 N/A THR 117.A OG1 ILE 113.A O no hydrogen 2.749 N/A THR 117.A OG1 MET 114.A O no hydrogen 3.392 N/A GLY 118.A N MET 114.A O no hydrogen 3.110 N/A LEU 119.A N ILE 115.A O no hydrogen 2.864 N/A VAL 120.A N GLY 116.A O no hydrogen 3.054 N/A GLY 121.A N THR 117.A O no hydrogen 2.833 N/A ALA 122.A N GLY 118.A O no hydrogen 2.797 N/A LEU 123.A N LEU 119.A O no hydrogen 3.055 N/A LEU 123.A N VAL 120.A O no hydrogen 3.168 N/A THR 124.A N GLY 121.A O no hydrogen 3.395 N/A THR 124.A OG1 VAL 120.A O no hydrogen 2.701 N/A TYR 127.A OH GLY 186.A O no hydrogen 3.295 N/A ARG 130.A N VAL 126.A O no hydrogen 3.346 N/A ARG 130.A N TYR 127.A O no hydrogen 3.157 N/A ARG 130.A NE GLU 185.A O no hydrogen 2.758 N/A ARG 130.A NH1 ALA 122.A O no hydrogen 2.914 N/A ARG 130.A NH1 THR 124.A O no hydrogen 2.902 N/A ARG 130.A NH2 ALA 122.A O no hydrogen 2.897 N/A ARG 130.A NH2 GLU 185.A O no hydrogen 2.887 N/A PHE 131.A N SER 128.A O no hydrogen 3.225 N/A TRP 133.A N TYR 129.A O no hydrogen 3.174 N/A TRP 134.A N ARG 130.A O no hydrogen 3.065 N/A TRP 134.A NE1 PRO 177.A O no hydrogen 2.984 N/A ALA 135.A N PHE 131.A O no hydrogen 2.978 N/A ILE 136.A N VAL 132.A O no hydrogen 3.086 N/A SER 137.A N TRP 133.A O no hydrogen 2.854 N/A SER 137.A OG MET 114.A O no hydrogen 2.771 N/A THR 138.A N TRP 134.A O no hydrogen 2.847 N/A THR 138.A OG1 TRP 134.A O no hydrogen 2.757 N/A ALA 139.A N ALA 135.A O no hydrogen 2.866 N/A ALA 140.A N ILE 136.A O no hydrogen 3.020 N/A MET 141.A N SER 137.A O no hydrogen 2.942 N/A LEU 142.A N THR 138.A O no hydrogen 2.880 N/A TYR 143.A N ALA 139.A O no hydrogen 2.944 N/A ILE 144.A N ALA 140.A O no hydrogen 3.055 N/A LEU 145.A N MET 141.A O no hydrogen 2.810 N/A TYR 146.A N LEU 142.A O no hydrogen 2.802 N/A VAL 147.A N TYR 143.A O no hydrogen 3.000 N/A LEU 148.A N ILE 144.A O no hydrogen 2.893 N/A PHE 149.A N LEU 145.A O no hydrogen 3.066 N/A PHE 149.A N TYR 146.A O no hydrogen 2.853 N/A PHE 150.A N TYR 146.A O no hydrogen 2.565 N/A GLY 151.A N VAL 147.A O no hydrogen 3.071 N/A ARG 155.A NE GLU 157.A OE2 no hydrogen 2.697 N/A ARG 155.A NH1 PHE 221.A O no hydrogen 3.171 N/A ARG 155.A NH2 GLU 157.A OE1 no hydrogen 2.670 N/A ARG 155.A NH2 PHE 221.A O no hydrogen 2.883 N/A ALA 159.A N ARG 155.A O no hydrogen 3.325 N/A SER 160.A N PRO 156.A O no hydrogen 3.060 N/A THR 161.A N GLU 157.A O no hydrogen 3.223 N/A THR 161.A OG1 GLU 157.A O no hydrogen 3.267 N/A THR 161.A OG1 SER 217.A OG no hydrogen 2.924 N/A PHE 162.A N VAL 158.A O no hydrogen 2.746 N/A LYS 163.A N ALA 159.A O no hydrogen 2.964 N/A VAL 164.A N SER 160.A O no hydrogen 3.434 N/A LEU 165.A N THR 161.A O no hydrogen 2.891 N/A ARG 166.A N PHE 162.A O no hydrogen 2.576 N/A ASN 167.A N LYS 163.A O no hydrogen 2.980 N/A VAL 168.A N VAL 164.A O no hydrogen 2.894 N/A THR 169.A N LEU 165.A O no hydrogen 2.914 N/A THR 169.A OG1 LEU 165.A O no hydrogen 2.953 N/A VAL 170.A N ARG 166.A O no hydrogen 3.068 N/A VAL 171.A N ASN 167.A O no hydrogen 3.191 N/A LEU 172.A N VAL 168.A O no hydrogen 2.878 N/A TRP 173.A N THR 169.A O no hydrogen 2.733 N/A SER 174.A N VAL 170.A O no hydrogen 3.187 N/A SER 174.A OG VAL 170.A O no hydrogen 2.760 N/A ALA 175.A N LEU 172.A O no hydrogen 3.125 N/A TYR 176.A N TRP 173.A O no hydrogen 3.170 N/A TYR 176.A OH ASP 203.A OD1 no hydrogen 2.689 N/A VAL 179.A N ALA 175.A O no hydrogen 2.889 N/A TRP 180.A N TYR 176.A O no hydrogen 2.927 N/A TRP 180.A NE1 TYR 79.A OH no hydrogen 2.864 N/A LEU 181.A N PRO 177.A O no hydrogen 2.932 N/A ILE 182.A N VAL 178.A O no hydrogen 3.056 N/A GLY 183.A N VAL 179.A O no hydrogen 2.805 N/A SER 184.A N GLU 195.A OE1 no hydrogen 2.627 N/A SER 184.A OG GLU 185.A OE2 no hydrogen 3.310 N/A SER 184.A OG GLU 195.A OE1 no hydrogen 2.854 N/A GLY 186.A N GLY 183.A O no hydrogen 2.955 N/A ALA 187.A N LEU 181.A O no hydrogen 2.712 N/A GLY 188.A N GLY 183.A O no hydrogen 2.928 N/A ILE 189.A N ILE 182.A O no hydrogen 2.806 N/A VAL 190.A N ILE 182.A O no hydrogen 2.875 N/A GLU 195.A N PRO 191.A O no hydrogen 2.987 N/A THR 196.A N LEU 192.A O no hydrogen 2.834 N/A THR 196.A OG1 LEU 192.A O no hydrogen 2.734 N/A LEU 197.A N ASN 193.A O no hydrogen 3.101 N/A LEU 198.A N ILE 194.A O no hydrogen 2.847 N/A PHE 199.A N GLU 195.A O no hydrogen 2.973 N/A MET 200.A N THR 196.A O no hydrogen 2.888 N/A VAL 201.A N LEU 197.A O no hydrogen 3.063 N/A LEU 202.A N LEU 198.A O no hydrogen 2.901 N/A ASP 203.A N PHE 199.A O no hydrogen 2.797 N/A VAL 204.A N MET 200.A O no hydrogen 3.019 N/A SER 205.A N VAL 201.A O no hydrogen 3.150 N/A SER 205.A OG VAL 201.A O no hydrogen 2.884 N/A ALA 206.A N LEU 202.A O no hydrogen 2.739 N/A LYS 207.A N ASP 203.A O no hydrogen 2.906 N/A VAL 208.A N VAL 204.A O no hydrogen 2.676 N/A GLY 209.A N VAL 204.A O no hydrogen 2.935 N/A PHE 210.A N SER 205.A O no hydrogen 2.870 N/A GLY 211.A N LYS 207.A O no hydrogen 2.985 N/A LEU 212.A N VAL 208.A O no hydrogen 2.857 N/A ILE 213.A N GLY 209.A O no hydrogen 3.050 N/A LEU 214.A N PHE 210.A O no hydrogen 2.940 N/A LEU 215.A N GLY 211.A O no hydrogen 2.835 N/A ARG 216.A N LEU 212.A O no hydrogen 3.121 N/A ARG 216.A N ILE 213.A O no hydrogen 3.360 N/A SER 217.A N LEU 214.A O no hydrogen 3.271 N/A SER 217.A OG THR 161.A OG1 no hydrogen 2.924 N/A ALA 219.A N SER 217.A OG no hydrogen 2.681 N/A PHE 221.A N ARG 218.A O no hydrogen 3.039 N/A GLY 222.A N ASP 32.A OD1 no hydrogen 3.379 N/A GLY 222.A N ASP 32.A OD2 no hydrogen 3.139 N/A