Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1i2l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N GLN 9.A O no hydrogen 3.312 N/A LEU 3.A N LEU 104.A O no hydrogen 2.911 N/A ILE 4.A N HIS 7.A O no hydrogen 2.799 N/A ASN 5.A N ARG 102.A O no hydrogen 3.035 N/A HIS 7.A N ILE 4.A O no hydrogen 3.103 N/A GLN 9.A N PHE 2.A O no hydrogen 2.887 N/A SER 15.A OG SER 87.A OG no hydrogen 2.885 N/A ASP 16.A N ALA 13.A O no hydrogen 3.200 N/A ARG 17.A N GLY 86.A O no hydrogen 2.608 N/A ARG 17.A NE ASP 23.A OD2 no hydrogen 2.711 N/A ARG 17.A NH1 GLY 88.A O no hydrogen 3.189 N/A ARG 17.A NH1 SER 93.A O no hydrogen 2.783 N/A ARG 17.A NH2 ASP 23.A OD2 no hydrogen 2.924 N/A ARG 17.A NH2 TYR 92.A O no hydrogen 2.954 N/A ALA 18.A N ASP 16.A OD1 no hydrogen 2.954 N/A GLN 20.A N ASP 16.A O no hydrogen 3.129 N/A PHE 21.A N ARG 17.A O no hydrogen 2.785 N/A GLY 22.A N ALA 18.A O no hydrogen 2.652 N/A ASP 23.A N ARG 17.A O no hydrogen 3.089 N/A GLY 24.A N GLY 22.A O no hydrogen 2.905 N/A CYS 25.A N ILE 83.A O no hydrogen 2.776 N/A PHE 26.A N LYS 140.A O no hydrogen 2.863 N/A THR 27.A N VAL 81.A O no hydrogen 2.992 N/A THR 27.A OG1 HIS 42.A ND1 no hydrogen 2.606 N/A ALA 29.A N LEU 79.A O no hydrogen 2.823 N/A VAL 31.A N GLY 77.A O no hydrogen 2.974 N/A ILE 32.A N LYS 35.A O no hydrogen 2.831 N/A ASP 33.A N ASN 76.A OD1 no hydrogen 3.191 N/A GLY 34.A N GLN 75.A O no hydrogen 2.824 N/A LYS 35.A N ILE 32.A O no hydrogen 2.764 N/A SER 37.A N ARG 30.A O no hydrogen 2.726 N/A SER 37.A OG ASN 269.A O no hydrogen 3.406 N/A LEU 38.A N ASN 269.A O no hydrogen 2.837 N/A HIS 42.A N LEU 38.A O no hydrogen 3.054 N/A HIS 42.A ND1 THR 27.A OG1 no hydrogen 2.606 N/A ILE 43.A N LEU 39.A O no hydrogen 2.967 N/A GLN 44.A N SER 40.A O no hydrogen 2.848 N/A GLN 44.A NE2 ASP 48.A OD1 no hydrogen 2.699 N/A GLN 44.A NE2 ASP 48.A OD2 no hydrogen 2.928 N/A ARG 45.A N ALA 41.A O no hydrogen 2.880 N/A ARG 45.A NE THR 27.A OG1 no hydrogen 2.497 N/A ARG 45.A NH2 THR 27.A OG1 no hydrogen 3.183 N/A LEU 46.A N HIS 42.A O no hydrogen 3.141 N/A GLN 47.A N ILE 43.A O no hydrogen 2.961 N/A ASP 48.A N GLN 44.A O no hydrogen 2.983 N/A ALA 49.A N ARG 45.A O no hydrogen 2.910 N/A CYS 50.A N LEU 46.A O no hydrogen 2.848 N/A CYS 50.A SG LEU 46.A O no hydrogen 3.387 N/A GLN 51.A N GLN 47.A O no hydrogen 2.928 N/A ARG 52.A N ASP 48.A O no hydrogen 2.900 N/A ARG 52.A NH1 ALA 137.A O no hydrogen 2.633 N/A ARG 52.A NH2 ALA 137.A O no hydrogen 2.911 N/A LEU 53.A N ALA 49.A O no hydrogen 2.892 N/A MET 54.A N GLN 51.A O no hydrogen 2.978 N/A ILE 55.A N CYS 50.A O no hydrogen 2.698 N/A LEU 63.A N PHE 59.A O no hydrogen 2.838 N/A GLU 64.A N TRP 60.A O no hydrogen 2.881 N/A GLN 65.A N PRO 61.A O no hydrogen 3.074 N/A GLU 66.A N GLN 62.A O no hydrogen 2.873 N/A MET 67.A N LEU 63.A O no hydrogen 2.888 N/A LYS 68.A N GLU 64.A O no hydrogen 2.975 N/A THR 69.A N GLN 65.A O no hydrogen 2.986 N/A THR 69.A OG1 GLN 65.A O no hydrogen 3.233 N/A LEU 70.A N GLU 66.A O no hydrogen 3.062 N/A ALA 71.A N MET 67.A O no hydrogen 2.976 N/A ALA 72.A N LYS 68.A O no hydrogen 2.930 N/A GLU 73.A N THR 69.A O no hydrogen 3.026 N/A GLN 74.A N LEU 70.A O no hydrogen 2.857 N/A GLN 74.A NE2 ASN 76.A O no hydrogen 2.724 N/A GLN 75.A N ALA 71.A O no hydrogen 2.784 N/A GLN 75.A NE2 ALA 72.A O no hydrogen 2.320 N/A ASN 76.A N GLN 74.A O no hydrogen 2.761 N/A GLY 77.A N VAL 31.A O no hydrogen 3.066 N/A VAL 78.A N THR 107.A O no hydrogen 2.720 N/A LEU 79.A N ALA 29.A O no hydrogen 2.937 N/A LYS 80.A N SER 105.A O no hydrogen 2.728 N/A VAL 81.A N THR 27.A O no hydrogen 3.018 N/A VAL 82.A N ILE 103.A O no hydrogen 2.718 N/A ILE 83.A N CYS 25.A O no hydrogen 2.813 N/A SER 84.A N THR 101.A O no hydrogen 3.064 N/A SER 84.A OG ASP 16.A OD1 no hydrogen 2.637 N/A SER 84.A OG ASP 16.A OD2 no hydrogen 3.371 N/A ARG 85.A N ASP 23.A O no hydrogen 3.084 N/A ARG 85.A NE ASP 23.A OD2 no hydrogen 2.545 N/A ARG 85.A NH1 LEU 53.A O no hydrogen 3.063 N/A ARG 85.A NH1 MET 54.A O no hydrogen 3.379 N/A ARG 85.A NH2 ASP 23.A OD1 no hydrogen 2.848 N/A ARG 85.A NH2 LEU 53.A O no hydrogen 2.857 N/A GLY 86.A N SER 84.A OG no hydrogen 3.085 N/A SER 87.A OG SER 15.A OG no hydrogen 2.885 N/A SER 93.A N ARG 90.A O no hydrogen 3.112 N/A LEU 95.A N SER 93.A OG no hydrogen 3.097 N/A SER 97.A N THR 94.A O no hydrogen 3.056 N/A SER 97.A OG THR 94.A O no hydrogen 2.684 N/A GLY 98.A N SER 87.A O no hydrogen 2.895 N/A THR 101.A N SER 84.A O no hydrogen 3.061 N/A THR 101.A OG1 ASP 16.A OD2 no hydrogen 2.735 N/A ARG 102.A N ASN 5.A OD1 no hydrogen 3.085 N/A ARG 102.A NE GLU 66.A OE1 no hydrogen 2.758 N/A ARG 102.A NE GLU 66.A OE2 no hydrogen 3.331 N/A ARG 102.A NH2 GLU 66.A OE2 no hydrogen 2.789 N/A ILE 103.A N VAL 82.A O no hydrogen 2.757 N/A LEU 104.A N LEU 3.A O no hydrogen 3.027 N/A SER 105.A N LYS 80.A O no hydrogen 2.953 N/A THR 107.A N VAL 78.A O no hydrogen 2.820 N/A THR 107.A OG1 ALA 108.A O no hydrogen 3.563 N/A TYR 109.A OH LEU 238.A O no hydrogen 2.535 N/A LEU 116.A N HIS 112.A O no hydrogen 2.938 N/A ARG 117.A N TYR 113.A O no hydrogen 3.038 N/A ARG 117.A N ASP 114.A O no hydrogen 3.000 N/A ASN 118.A N ASP 114.A O no hydrogen 3.162 N/A GLY 120.A N LEU 116.A O no hydrogen 3.120 N/A ILE 121.A N PRO 243.A O no hydrogen 2.822 N/A THR 122.A N ASP 160.A OD2 no hydrogen 2.994 N/A LEU 123.A N ALA 246.A O no hydrogen 2.937 N/A ALA 124.A N GLU 161.A O no hydrogen 2.943 N/A SER 126.A N LEU 163.A O no hydrogen 2.959 N/A SER 126.A OG VAL 128.A O no hydrogen 3.171 N/A VAL 128.A N SER 126.A OG no hydrogen 3.136 N/A LEU 130.A N LEU 165.A O no hydrogen 3.062 N/A GLY 131.A N GLU 146.A OE2 no hydrogen 2.944 N/A ARG 132.A NH1 ASP 166.A OD2 no hydrogen 2.647 N/A ASN 133.A N GLN 194.A O no hydrogen 2.834 N/A HIS 135.A N ASN 133.A OD1 no hydrogen 2.965 N/A LEU 136.A N ASN 133.A O no hydrogen 2.761 N/A ALA 137.A N ASN 133.A O no hydrogen 2.861 N/A GLY 138.A N GLY 196.A O no hydrogen 2.909 N/A LEU 142.A N GLY 24.A O no hydrogen 2.805 N/A ASN 143.A N HIS 141.A ND1 no hydrogen 3.108 N/A ASN 143.A ND2 PHE 21.A O no hydrogen 3.040 N/A ARG 144.A N LEU 142.A O no hydrogen 2.977 N/A ARG 144.A NE GLN 147.A OE1 no hydrogen 2.613 N/A ARG 144.A NH1 ILE 139.A O no hydrogen 3.384 N/A ARG 144.A NH1 HIS 141.A O no hydrogen 2.925 N/A ARG 144.A NH2 GLN 147.A OE1 no hydrogen 3.425 N/A VAL 148.A N ARG 144.A O no hydrogen 2.917 N/A LEU 149.A N LEU 145.A O no hydrogen 2.810 N/A ILE 150.A N GLU 146.A O no hydrogen 2.732 N/A ARG 151.A N GLN 147.A O no hydrogen 2.887 N/A ARG 151.A NH1 ASP 160.A O no hydrogen 3.560 N/A SER 152.A N VAL 148.A O no hydrogen 2.996 N/A SER 152.A OG VAL 148.A O no hydrogen 2.616 N/A HIS 153.A N LEU 149.A O no hydrogen 3.174 N/A LEU 154.A N ILE 150.A O no hydrogen 2.978 N/A GLU 155.A N ARG 151.A O no hydrogen 3.046 N/A GLN 156.A N HIS 153.A O no hydrogen 2.896 N/A GLN 156.A NE2 SER 152.A O no hydrogen 3.265 N/A THR 157.A N LEU 154.A O no hydrogen 3.088 N/A THR 157.A OG1 LEU 154.A O no hydrogen 2.727 N/A ALA 159.A N THR 157.A OG1 no hydrogen 3.283 N/A ASP 160.A N THR 122.A O no hydrogen 2.600 N/A GLU 161.A N THR 122.A O no hydrogen 3.191 N/A ALA 162.A N GLU 161.A OE1 no hydrogen 2.962 N/A LEU 163.A N ALA 124.A O no hydrogen 2.821 N/A VAL 164.A N GLU 173.A O no hydrogen 2.628 N/A ASP 166.A N TRP 170.A O no hydrogen 2.821 N/A SER 167.A N LEU 130.A O no hydrogen 2.776 N/A GLU 168.A N ASP 166.A OD1 no hydrogen 2.733 N/A GLY 169.A N ASP 166.A O no hydrogen 2.998 N/A TRP 170.A N ASP 166.A OD1 no hydrogen 3.068 N/A VAL 171.A N ALA 221.A O no hydrogen 2.759 N/A THR 172.A N VAL 164.A O no hydrogen 2.731 N/A THR 172.A OG1 TRP 170.A O no hydrogen 3.050 N/A GLU 173.A N VAL 164.A O no hydrogen 3.272 N/A CYS 174.A N ALA 177.A O no hydrogen 2.841 N/A CYS 175.A N GLU 161.A OE1 no hydrogen 2.745 N/A CYS 175.A SG GLN 147.A O no hydrogen 3.273 N/A ALA 176.A N GLU 161.A OE2 no hydrogen 3.016 N/A ASN 178.A N CYS 235.A O no hydrogen 2.771 N/A ASN 178.A ND2 VAL 197.A O no hydrogen 2.756 N/A PHE 180.A N VAL 233.A O no hydrogen 2.823 N/A TRP 181.A N TYR 188.A O no hydrogen 2.895 N/A ARG 182.A N GLU 231.A O no hydrogen 2.657 N/A ARG 182.A NE GLU 231.A OE1 no hydrogen 3.349 N/A ARG 182.A NH1 GLY 184.A O no hydrogen 2.568 N/A LYS 183.A N VAL 186.A O no hydrogen 2.842 N/A GLY 184.A N ASP 230.A OD2 no hydrogen 2.696 N/A ASN 185.A ND2 SER 213.A O no hydrogen 3.003 N/A VAL 186.A N LYS 183.A O no hydrogen 3.034 N/A VAL 187.A N GLN 215.A O no hydrogen 2.812 N/A TYR 188.A N TRP 181.A O no hydrogen 2.728 N/A THR 189.A N VAL 217.A O no hydrogen 3.048 N/A THR 189.A OG1 LEU 179.A O no hydrogen 2.553 N/A ARG 191.A N VAL 219.A O no hydrogen 2.781 N/A ARG 191.A NH2 ASP 193.A OD1 no hydrogen 3.565 N/A ARG 191.A NH2 ASP 193.A OD2 no hydrogen 3.058 N/A VAL 197.A N GLU 173.A OE1 no hydrogen 2.710 N/A ASN 198.A N GLY 138.A O no hydrogen 2.829 N/A GLY 199.A N ASN 178.A OD1 no hydrogen 3.076 N/A ARG 202.A NH1 ASN 198.A OD1 no hydrogen 2.728 N/A ARG 202.A NH2 PRO 190.A O no hydrogen 3.093 N/A ARG 202.A NH2 GLU 218.A OE1 no hydrogen 3.067 N/A GLN 203.A N GLY 199.A O no hydrogen 3.022 N/A GLN 203.A NE2 ASN 198.A O no hydrogen 3.153 N/A GLN 203.A NE2 GLY 199.A O no hydrogen 3.230 N/A PHE 204.A N ILE 200.A O no hydrogen 2.973 N/A CYS 205.A N MET 201.A O no hydrogen 2.758 N/A CYS 205.A SG MET 201.A O no hydrogen 3.200 N/A ILE 206.A N ARG 202.A O no hydrogen 2.813 N/A ARG 207.A N GLN 203.A O no hydrogen 3.052 N/A LEU 208.A N PHE 204.A O no hydrogen 3.068 N/A LEU 209.A N CYS 205.A O no hydrogen 2.834 N/A ALA 210.A N ILE 206.A O no hydrogen 2.844 N/A GLN 211.A N ARG 207.A O no hydrogen 3.347 N/A GLN 211.A NE2 LEU 208.A O no hydrogen 2.608 N/A SER 212.A N LEU 208.A O no hydrogen 2.957 N/A SER 212.A N LEU 209.A O no hydrogen 3.023 N/A SER 212.A OG LEU 209.A O no hydrogen 2.562 N/A TYR 214.A N SER 212.A OG no hydrogen 3.083 N/A TYR 214.A OH THR 256.A OG1 no hydrogen 3.260 N/A GLN 215.A N ASN 185.A O no hydrogen 2.952 N/A VAL 217.A N VAL 187.A O no hydrogen 2.856 N/A VAL 219.A N THR 189.A O no hydrogen 2.947 N/A GLU 225.A N SER 222.A OG no hydrogen 3.200 N/A SER 226.A N SER 222.A O no hydrogen 3.089 N/A SER 226.A OG LEU 223.A O no hydrogen 2.875 N/A LEU 227.A N LEU 223.A O no hydrogen 2.853 N/A GLN 228.A N GLU 225.A O no hydrogen 3.128 N/A ASP 230.A N ARG 182.A O no hydrogen 2.679 N/A GLU 231.A N ARG 182.A O no hydrogen 3.309 N/A VAL 233.A N PHE 180.A O no hydrogen 2.795 N/A ILE 234.A N MET 242.A O no hydrogen 3.125 N/A CYS 235.A N ASN 178.A O no hydrogen 2.787 N/A CYS 235.A SG ASN 178.A O no hydrogen 3.978 N/A ASN 236.A N PRO 240.A O no hydrogen 3.130 N/A ASN 236.A ND2 TYR 113.A OH no hydrogen 2.830 N/A ASN 236.A ND2 ALA 176.A O no hydrogen 3.176 N/A LEU 238.A N ASN 236.A OD1 no hydrogen 2.741 N/A MET 239.A N ASN 236.A OD1 no hydrogen 2.712 N/A MET 242.A N ILE 234.A O no hydrogen 2.966 N/A VAL 244.A N MET 232.A O no hydrogen 2.974 N/A CYS 245.A N ILE 121.A O no hydrogen 2.614 N/A CYS 245.A SG GLU 119.A O no hydrogen 3.610 N/A CYS 247.A N VAL 250.A O no hydrogen 3.005 N/A GLY 248.A N LEU 123.A O no hydrogen 2.872 N/A VAL 250.A N CYS 247.A O no hydrogen 3.072 N/A PHE 252.A N CYS 245.A O no hydrogen 3.058 N/A THR 256.A N SER 254.A OG no hydrogen 3.323 N/A THR 256.A OG1 TYR 214.A OH no hydrogen 3.260 N/A LEU 257.A N GLU 231.A OE1 no hydrogen 2.760 N/A TYR 258.A N GLU 231.A OE2 no hydrogen 2.866 N/A GLU 259.A N ALA 255.A O no hydrogen 2.802 N/A TYR 260.A N THR 256.A O no hydrogen 2.813 N/A LEU 261.A N LEU 257.A O no hydrogen 2.809 N/A ALA 262.A N TYR 258.A O no hydrogen 2.792 N/A CYS 265.A N LEU 261.A O no hydrogen 2.762 N/A CYS 265.A N ALA 262.A O no hydrogen 3.044 N/A CYS 265.A SG LEU 261.A O no hydrogen 3.337 N/A