Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2opt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 9.A N THR 6.A OG1 no hydrogen 3.126 N/A ILE 10.A N THR 6.A O no hydrogen 3.187 N/A VAL 11.A N GLN 7.A O no hydrogen 2.990 N/A VAL 12.A N ASP 8.A O no hydrogen 2.975 N/A THR 13.A N ARG 9.A O no hydrogen 3.113 N/A THR 13.A OG1 ARG 9.A O no hydrogen 2.793 N/A ALA 14.A N ILE 10.A O no hydrogen 2.980 N/A LEU 15.A N VAL 11.A O no hydrogen 2.905 N/A GLY 16.A N VAL 12.A O no hydrogen 3.052 N/A ILE 17.A N THR 13.A O no hydrogen 3.113 N/A LEU 18.A N ALA 14.A O no hydrogen 3.005 N/A ASP 19.A N LEU 15.A O no hydrogen 2.825 N/A ALA 20.A N GLY 16.A O no hydrogen 3.117 N/A ALA 20.A N ILE 17.A O no hydrogen 3.146 N/A GLU 21.A N ILE 17.A O no hydrogen 2.721 N/A GLY 22.A N LEU 18.A O no hydrogen 2.873 N/A LEU 23.A N ASP 94.A OD2 no hydrogen 2.563 N/A LEU 26.A N LEU 23.A O no hydrogen 3.280 N/A SER 27.A N ALA 25.A O no hydrogen 3.268 N/A ARG 30.A N SER 27.A OG no hydrogen 3.025 N/A ARG 30.A NE GLU 34.A OE1 no hydrogen 2.944 N/A ARG 30.A NH1 GLU 21.A OE1 no hydrogen 2.739 N/A ARG 30.A NH1 GLU 21.A OE2 no hydrogen 3.550 N/A ARG 30.A NH2 GLU 21.A OE2 no hydrogen 2.873 N/A ARG 30.A NH2 GLU 34.A OE1 no hydrogen 3.411 N/A LEU 31.A N SER 27.A O no hydrogen 3.017 N/A ALA 32.A N MET 28.A O no hydrogen 2.776 N/A GLN 33.A N ARG 29.A O no hydrogen 2.948 N/A GLU 34.A N ARG 30.A O no hydrogen 2.861 N/A LEU 35.A N LEU 31.A O no hydrogen 3.013 N/A LYS 36.A N GLN 33.A O no hydrogen 3.136 N/A LYS 36.A NZ GLN 33.A O no hydrogen 2.747 N/A THR 37.A N ALA 32.A O no hydrogen 3.140 N/A THR 37.A OG1 GLY 38.A O no hydrogen 3.507 N/A THR 37.A OG1 SER 41.A OG no hydrogen 2.630 N/A SER 41.A OG THR 37.A OG1 no hydrogen 2.630 N/A SER 41.A OG GLY 38.A O no hydrogen 3.170 N/A LEU 42.A N GLY 38.A O no hydrogen 3.343 N/A TYR 43.A N HIS 39.A O no hydrogen 3.009 N/A ALA 44.A N ALA 40.A O no hydrogen 2.815 N/A HIS 45.A N LEU 42.A O no hydrogen 3.181 N/A HIS 45.A ND1 SER 41.A O no hydrogen 2.925 N/A VAL 46.A N LEU 42.A O no hydrogen 2.998 N/A GLY 47.A N TYR 43.A O no hydrogen 3.058 N/A ASN 48.A N GLU 51.A OE1 no hydrogen 2.760 N/A ARG 49.A NE LEU 26.A O no hydrogen 2.631 N/A ARG 49.A NH2 LEU 26.A O no hydrogen 3.097 N/A GLU 51.A N ASN 48.A OD1 no hydrogen 2.926 N/A LEU 52.A N ASN 48.A O no hydrogen 3.011 N/A LEU 53.A N ARG 49.A O no hydrogen 3.014 N/A ASP 54.A N ASP 50.A O no hydrogen 3.217 N/A LEU 55.A N GLU 51.A O no hydrogen 3.191 N/A VAL 56.A N LEU 52.A O no hydrogen 2.963 N/A PHE 57.A N LEU 53.A O no hydrogen 2.882 N/A ASP 58.A N ASP 54.A O no hydrogen 3.112 N/A ILE 59.A N LEU 55.A O no hydrogen 3.013 N/A LEU 61.A N ASP 58.A O no hydrogen 3.238 N/A GLU 63.A N VAL 60.A O no hydrogen 2.802 N/A VAL 64.A N LEU 61.A O no hydrogen 3.151 N/A GLU 65.A N SER 84.A OG no hydrogen 2.894 N/A GLU 70.A N GLN 77.A OE1 no hydrogen 2.860 N/A ARG 73.A N GLU 70.A O no hydrogen 2.932 N/A ARG 73.A NE GLU 70.A OE1 no hydrogen 2.837 N/A ARG 73.A NH1 GLU 80.A OE1.B no hydrogen 2.848 N/A ARG 73.A NH1 GLU 80.A OE2.B no hydrogen 3.498 N/A ARG 73.A NH2 GLU 80.A OE2.B no hydrogen 2.849 N/A TRP 74.A NE1 LEU 119.A O no hydrogen 2.730 N/A GLN 77.A N ARG 73.A O no hydrogen 3.062 N/A GLN 77.A NE2 GLU 68.A O no hydrogen 3.018 N/A VAL 78.A N TRP 74.A O no hydrogen 3.039 N/A LYS 79.A N ALA 75.A O no hydrogen 3.083 N/A LYS 79.A NZ GLU 76.A OE2.A no hydrogen 3.372 N/A LYS 79.A NZ GLU 195.A OE1.B no hydrogen 2.699 N/A GLU 80.A N GLU 76.A O no hydrogen 2.890 N/A MET 81.A N GLN 77.A O no hydrogen 2.949 N/A CYS 82.A N VAL 78.A O no hydrogen 2.956 N/A CYS 82.A SG VAL 78.A O no hydrogen 3.490 N/A ARG 83.A N LYS 79.A O no hydrogen 2.794 N/A ARG 83.A NE GLU 191.A OE1.A no hydrogen 3.454 N/A ARG 83.A NE GLU 191.A OE2.A no hydrogen 3.012 N/A ARG 83.A NH1 GLU 191.A OE1.A no hydrogen 3.186 N/A ARG 83.A NH2 GLU 76.A OE2.B no hydrogen 3.095 N/A SER 84.A N GLU 80.A O no hydrogen 3.021 N/A SER 84.A OG GLU 63.A O no hydrogen 3.463 N/A LEU 85.A N MET 81.A O no hydrogen 3.242 N/A ARG 86.A N CYS 82.A O no hydrogen 3.056 N/A ARG 86.A NH1 ASP 187.A OD1 no hydrogen 3.010 N/A ARG 86.A NH2 ASP 187.A OD1 no hydrogen 2.814 N/A ARG 87.A N ARG 83.A O no hydrogen 2.924 N/A MET 88.A N SER 84.A O no hydrogen 3.153 N/A PHE 89.A N LEU 85.A O no hydrogen 3.217 N/A LEU 90.A N ARG 86.A O no hydrogen 3.030 N/A ALA 91.A N ARG 87.A O no hydrogen 2.985 N/A ALA 91.A N MET 88.A O no hydrogen 3.083 N/A HIS 92.A N PHE 89.A O no hydrogen 3.064 N/A HIS 92.A ND1 ASP 19.A OD1 no hydrogen 2.837 N/A HIS 92.A ND1 ASP 19.A OD2 no hydrogen 3.073 N/A HIS 92.A NE2 GLU 63.A OE2 no hydrogen 2.558 N/A LEU 95.A N HIS 92.A O no hydrogen 3.138 N/A ARG 97.A N ASP 94.A O no hydrogen 3.240 N/A ALA 99.A N LEU 95.A O no hydrogen 2.857 N/A ILE 100.A N ALA 96.A O no hydrogen 2.994 N/A ASP 101.A N ASP 101.A OD1.A no hydrogen 2.612 N/A ARG 102.A N ALA 99.A O no hydrogen 3.044 N/A ARG 102.A NE ASP 54.A OD1 no hydrogen 2.616 N/A ARG 102.A NH1 ILE 98.A O no hydrogen 3.237 N/A ARG 102.A NH2 ASP 50.A O no hydrogen 3.102 N/A ARG 102.A NH2 ASP 54.A OD1 no hydrogen 3.503 N/A LEU 105.A N VAL 103.A O no hydrogen 2.721 N/A ASN 108.A N ASP 58.A OD2 no hydrogen 2.779 N/A ASN 108.A ND2 ASP 58.A O no hydrogen 2.992 N/A GLY 109.A N ASP 58.A OD1 no hydrogen 2.808 N/A MET 110.A N GLY 106.A O no hydrogen 2.717 N/A VAL 111.A N PRO 107.A O no hydrogen 3.287 N/A GLY 112.A N ASN 108.A O no hydrogen 2.986 N/A MET 113.A N GLY 109.A O no hydrogen 2.894 N/A GLU 114.A N MET 110.A O no hydrogen 2.961 N/A ARG 115.A N VAL 111.A O no hydrogen 2.974 N/A ARG 115.A NE VAL 66.A O no hydrogen 3.218 N/A ARG 115.A NH1 GLU 68.A OE1 no hydrogen 3.004 N/A ARG 115.A NH2 VAL 66.A O no hydrogen 2.947 N/A ARG 115.A NH2 GLU 68.A OE1 no hydrogen 3.034 N/A THR 116.A N GLY 112.A O no hydrogen 2.894 N/A THR 116.A OG1 GLY 112.A O no hydrogen 2.779 N/A MET 117.A N MET 113.A O no hydrogen 2.847 N/A ASN 118.A N GLU 114.A O no hydrogen 2.858 N/A LEU 119.A N ARG 115.A O no hydrogen 2.886 N/A LEU 120.A N THR 116.A O no hydrogen 2.905 N/A ARG 121.A N MET 117.A O no hydrogen 3.006 N/A SER 122.A N ASN 118.A O no hydrogen 3.018 N/A SER 122.A OG LEU 119.A O no hydrogen 2.552 N/A GLY 123.A N LEU 120.A O no hydrogen 3.055 N/A GLY 124.A N ARG 121.A O no hydrogen 2.894 N/A ALA 130.A N HIS 126.A O no hydrogen 2.870 N/A ALA 131.A N ASP 127.A O no hydrogen 3.029 N/A TYR 132.A N GLU 128.A O no hydrogen 2.866 N/A GLY 133.A N LEU 129.A O no hydrogen 2.802 N/A GLY 134.A N ALA 130.A O no hydrogen 3.033 N/A ASP 135.A N ALA 131.A O no hydrogen 3.334 N/A LEU 136.A N TYR 132.A O no hydrogen 2.847 N/A LEU 137.A N GLY 133.A O no hydrogen 2.844 N/A SER 138.A N GLY 134.A O no hydrogen 3.124 N/A SER 138.A OG GLY 134.A O no hydrogen 3.522 N/A SER 138.A OG ASP 135.A O no hydrogen 3.139 N/A THR 139.A N ASP 135.A O no hydrogen 2.783 N/A THR 139.A OG1 ASP 135.A O no hydrogen 2.923 N/A PHE 140.A N LEU 136.A O no hydrogen 2.981 N/A VAL 141.A N LEU 137.A O no hydrogen 2.976 N/A THR 142.A N SER 138.A O no hydrogen 2.966 N/A THR 142.A OG1 SER 138.A O no hydrogen 2.689 N/A ALA 143.A N THR 139.A O no hydrogen 2.997 N/A GLU 144.A N PHE 140.A O no hydrogen 2.999 N/A ALA 145.A N VAL 141.A O no hydrogen 3.002 N/A LEU 146.A N THR 142.A O no hydrogen 2.943 N/A GLU 147.A N ALA 143.A O no hydrogen 3.168 N/A GLN 148.A N GLU 144.A O no hydrogen 2.750 N/A SER 149.A N ALA 145.A O no hydrogen 3.088 N/A SER 150.A N LEU 146.A O no hydrogen 2.913 N/A SER 150.A OG LEU 146.A O no hydrogen 3.135 N/A ARG 151.A NH2 LEU 184.A O no hydrogen 3.063 N/A ALA 156.A N ALA 152.A O no hydrogen 3.357 N/A GLN 158.A N VAL 154.A O no hydrogen 3.060 N/A LEU 159.A N PHE 155.A O no hydrogen 2.977 N/A HIS 160.A N ALA 156.A O no hydrogen 2.602 N/A GLY 161.A N ASP 157.A O no hydrogen 3.121 N/A TYR 162.A N GLN 158.A O no hydrogen 2.728 N/A LEU 163.A N LEU 159.A O no hydrogen 2.875 N/A LYS 164.A N HIS 160.A O no hydrogen 2.675 N/A SER 165.A N GLY 161.A O no hydrogen 3.205 N/A SER 165.A N TYR 162.A O no hydrogen 3.233 N/A SER 165.A OG GLY 161.A O no hydrogen 2.844 N/A SER 165.A OG TYR 162.A O no hydrogen 3.565 N/A LEU 166.A N LEU 163.A O no hydrogen 3.071 N/A SER 170.A N PRO 167.A O no hydrogen 2.747 N/A PHE 171.A N PRO 167.A O no hydrogen 2.882 N/A VAL 175.A N PHE 171.A O no hydrogen 2.883 N/A HIS 176.A N PRO 172.A O no hydrogen 3.005 N/A LEU 177.A N ASN 173.A O no hydrogen 2.821 N/A ALA 178.A N VAL 175.A O no hydrogen 3.429 N/A ILE 181.A N LEU 177.A O no hydrogen 2.823 N/A THR 182.A N ALA 178.A O no hydrogen 3.130 N/A THR 182.A N GLY 179.A O no hydrogen 2.990 N/A SER 183.A N GLY 179.A O no hydrogen 2.352 N/A SER 183.A OG GLY 179.A O no hydrogen 2.621 N/A LEU 184.A N PRO 180.A O no hydrogen 3.456 N/A ARG 188.A N ASP 185.A OD2 no hydrogen 3.401 N/A ARG 188.A NH1 GLU 191.A OE2.B no hydrogen 3.247 N/A ARG 189.A N ASP 185.A O no hydrogen 2.977 N/A ARG 189.A NE GLU 144.A OE1 no hydrogen 3.263 N/A ARG 189.A NH2 GLU 144.A OE2 no hydrogen 3.294 N/A PHE 190.A N SER 186.A O no hydrogen 2.824 N/A GLU 191.A N.A ASP 187.A O no hydrogen 2.908 N/A GLU 191.A N.B ASP 187.A O no hydrogen 2.899 N/A LEU 192.A N ARG 188.A O no hydrogen 2.992 N/A GLY 193.A N ARG 189.A O no hydrogen 2.941 N/A LEU 194.A N PHE 190.A O no hydrogen 2.983 N/A GLU 195.A N.A GLU 191.A O.A no hydrogen 2.860 N/A GLU 195.A N.A GLU 191.A O.B no hydrogen 3.050 N/A GLU 195.A N.B GLU 191.A O.A no hydrogen 2.901 N/A GLU 195.A N.B GLU 191.A O.B no hydrogen 3.089 N/A ILE 196.A N LEU 192.A O no hydrogen 2.931 N/A ILE 197.A N GLY 193.A O no hydrogen 3.028 N/A ILE 198.A N LEU 194.A O no hydrogen 3.015 N/A ALA 199.A N GLU 195.A O.A no hydrogen 2.893 N/A ALA 199.A N GLU 195.A O.B no hydrogen 3.003 N/A GLY 200.A N ILE 196.A O no hydrogen 3.060 N/A LEU 201.A N ILE 197.A O no hydrogen 2.868 N/A LEU 202.A N ILE 198.A O no hydrogen 2.913 N/A ALA 203.A N ALA 199.A O no hydrogen 2.816 N/A GLY 204.A N GLY 200.A O no hydrogen 3.012 N/A ALA 205.A N LEU 201.A O no hydrogen 2.899 N/A GLY 206.A N LEU 202.A O no hydrogen 2.871 N/A GLU 207.A N ALA 203.A O no hydrogen 3.188 N/A ALA 208.A N GLY 204.A O no hydrogen 3.382 N/A ALA 209.A N ALA 205.A O no hydrogen 3.107 N/A