Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2icr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG LEU 5.A O no hydrogen 2.906 N/A GLY 4.A N SER 1.A O no hydrogen 3.489 N/A LEU 5.A N ALA 2.A O no hydrogen 3.490 N/A THR 6.A OG1 ASN 112.A OD1 no hydrogen 2.664 N/A MET 9.A N GLY 32.A O no hydrogen 2.903 N/A THR 10.A N ASN 112.A O no hydrogen 3.102 N/A THR 10.A OG1 ASN 112.A O no hydrogen 3.538 N/A MET 11.A N GLY 30.A O no hydrogen 3.082 N/A HIS 12.A N ILE 114.A O no hydrogen 2.937 N/A PHE 13.A N GLY 28.A O no hydrogen 2.913 N/A ARG 14.A N HIS 116.A O no hydrogen 3.153 N/A ARG 14.A NE GLU 16.A OE2 no hydrogen 2.919 N/A ARG 14.A NH1 GLU 16.A OE2 no hydrogen 2.681 N/A ARG 14.A NH2 GLU 27.A OE2 no hydrogen 2.652 N/A MET 15.A N ILE 26.A O no hydrogen 2.881 N/A GLU 16.A N SER 118.A O no hydrogen 3.082 N/A GLY 17.A N PHE 24.A O no hydrogen 2.981 N/A CYS 18.A N PHE 120.A O no hydrogen 2.958 N/A VAL 19.A N HIS 22.A O no hydrogen 2.993 N/A ASP 20.A N GLY 122.A O no hydrogen 2.942 N/A HIS 22.A N VAL 19.A O no hydrogen 2.775 N/A HIS 22.A NE2 GLY 48.A O no hydrogen 2.630 N/A PHE 24.A N GLY 17.A O no hydrogen 2.970 N/A VAL 25.A N GLU 47.A O no hydrogen 2.947 N/A ILE 26.A N MET 15.A O no hydrogen 2.884 N/A GLU 27.A N CYS 44.A O no hydrogen 3.012 N/A GLY 28.A N PHE 13.A O no hydrogen 3.068 N/A ASN 29.A N ASN 42.A O no hydrogen 2.927 N/A GLY 30.A N MET 11.A O no hydrogen 3.155 N/A ASN 31.A N PHE 40.A O no hydrogen 2.930 N/A GLY 32.A N MET 9.A O no hydrogen 3.013 N/A ASN 33.A N LYS 38.A O no hydrogen 2.839 N/A PHE 35.A N ASN 33.A OD1 no hydrogen 2.944 N/A LYS 36.A N ASN 33.A O no hydrogen 3.143 N/A GLY 37.A N PRO 34.A O no hydrogen 3.204 N/A LYS 38.A N ASN 33.A O no hydrogen 3.219 N/A GLN 39.A N GLU 215.A O no hydrogen 2.998 N/A GLN 39.A NE2 GLU 215.A OE1 no hydrogen 3.150 N/A PHE 40.A N ASN 31.A O no hydrogen 2.793 N/A ILE 41.A N LEU 213.A O no hydrogen 2.801 N/A ASN 42.A N ASN 29.A O no hydrogen 2.795 N/A ASN 42.A ND2 ASN 29.A OD1 no hydrogen 3.326 N/A LEU 43.A N TRP 211.A O no hydrogen 2.887 N/A CYS 44.A N GLU 27.A O no hydrogen 2.848 N/A CYS 44.A SG VAL 45.A O no hydrogen 3.716 N/A CYS 44.A SG ASN 208.A OD1 no hydrogen 3.969 N/A CYS 44.A SG GLN 209.A O no hydrogen 3.834 N/A VAL 45.A N GLN 209.A O no hydrogen 2.980 N/A ILE 46.A N VAL 25.A O no hydrogen 2.833 N/A GLU 47.A N VAL 25.A O no hydrogen 3.177 N/A LEU 51.A N GLN 209.A OE1 no hydrogen 2.781 N/A SER 54.A N VAL 131.A O no hydrogen 2.981 N/A SER 54.A OG ASP 56.A OD2 no hydrogen 3.467 N/A SER 54.A OG THR 136.A OG1 no hydrogen 2.521 N/A GLU 55.A N GLU 55.A OE2 no hydrogen 2.531 N/A ASP 56.A N SER 54.A OG no hydrogen 3.103 N/A ILE 57.A N SER 54.A O no hydrogen 3.301 N/A LEU 58.A N GLU 55.A O no hydrogen 3.076 N/A SER 59.A N ASP 56.A O no hydrogen 3.323 N/A SER 59.A OG ASP 56.A O no hydrogen 3.393 N/A ALA 61.A N LEU 58.A O no hydrogen 3.069 N/A PHE 62.A N SER 59.A O no hydrogen 3.330 N/A ARG 64.A N TYR 85.A OH no hydrogen 2.749 N/A ARG 64.A NE THR 67.A OG1 no hydrogen 2.793 N/A ARG 64.A NH1 GLU 215.A OE2 no hydrogen 3.559 N/A ARG 64.A NH2 PHE 66.A O no hydrogen 3.082 N/A ARG 64.A NH2 THR 67.A OG1 no hydrogen 3.363 N/A ARG 64.A NH2 GLU 215.A OE2 no hydrogen 2.920 N/A LEU 65.A N ASN 63.A OD1 no hydrogen 3.165 N/A PHE 66.A N ASN 63.A O no hydrogen 3.110 N/A THR 67.A OG1 ARG 64.A O no hydrogen 2.723 N/A GLU 68.A N ALA 217.A O no hydrogen 2.923 N/A TYR 69.A OH HIS 192.A NE2 no hydrogen 2.729 N/A ILE 73.A N PRO 70.A O no hydrogen 3.116 N/A TYR 76.A OH LYS 153.A O no hydrogen 2.674 N/A LYS 78.A N ASP 75.A OD1 no hydrogen 3.021 N/A LYS 78.A NZ PRO 34.A O no hydrogen 3.030 N/A LYS 78.A NZ LEU 65.A O no hydrogen 3.014 N/A LYS 78.A NZ ASP 75.A OD2 no hydrogen 3.241 N/A ASN 79.A N ASP 75.A O no hydrogen 3.035 N/A SER 80.A N.A PHE 77.A O no hydrogen 3.067 N/A SER 80.A N.B PHE 77.A O no hydrogen 3.095 N/A SER 80.A OG.A PHE 77.A O no hydrogen 2.750 N/A SER 80.A OG.B GLY 84.A O no hydrogen 2.682 N/A CYS 81.A N LYS 78.A O no hydrogen 3.047 N/A CYS 81.A SG PHE 77.A O no hydrogen 3.604 N/A GLY 84.A N SER 80.A O.A no hydrogen 2.785 N/A GLY 84.A N SER 80.A O.B no hydrogen 2.803 N/A TYR 85.A N ILE 105.A O no hydrogen 3.176 N/A THR 86.A N LYS 180.A O no hydrogen 2.902 N/A TRP 87.A N ALA 103.A O no hydrogen 3.088 N/A HIS 88.A N ILE 178.A O no hydrogen 3.085 N/A HIS 88.A ND1 SER 102.A OG no hydrogen 2.718 N/A ARG 89.A N CYS 101.A O no hydrogen 2.863 N/A ARG 89.A NE THR 177.A OG1 no hydrogen 2.805 N/A ARG 89.A NH1 ALA 60.A O no hydrogen 2.833 N/A ARG 89.A NH2 TYR 179.A OH no hydrogen 3.244 N/A SER 90.A N ASP 176.A O no hydrogen 3.002 N/A PHE 91.A N CYS 99.A O no hydrogen 2.773 N/A ARG 92.A N GLN 174.A O no hydrogen 3.209 N/A ARG 92.A NH1 ASP 176.A OD1 no hydrogen 2.903 N/A PHE 93.A N ALA 97.A O no hydrogen 2.879 N/A GLU 94.A N ARG 172.A O no hydrogen 2.879 N/A GLY 96.A N PHE 93.A O no hydrogen 2.964 N/A VAL 98.A N VAL 123.A O no hydrogen 2.945 N/A CYS 99.A N PHE 91.A O no hydrogen 2.851 N/A ILE 100.A N TYR 121.A O no hydrogen 2.777 N/A CYS 101.A N ARG 89.A O no hydrogen 2.918 N/A CYS 101.A SG.B SER 102.A O no hydrogen 3.741 N/A CYS 101.A SG.B THR 119.A O no hydrogen 2.970 N/A SER 102.A N THR 119.A O no hydrogen 3.109 N/A SER 102.A OG HIS 88.A ND1 no hydrogen 2.718 N/A ALA 103.A N TRP 87.A O no hydrogen 3.032 N/A ASP 104.A N GLU 117.A O no hydrogen 2.914 N/A ILE 105.A N TYR 85.A O no hydrogen 2.915 N/A THR 106.A N TYR 115.A O no hydrogen 2.993 N/A THR 106.A OG1 ASP 104.A OD1 no hydrogen 3.200 N/A VAL 107.A N PRO 82.A O no hydrogen 2.925 N/A ASN 108.A N CYS 113.A O no hydrogen 2.804 N/A ASN 112.A N VAL 109.A O no hydrogen 3.018 N/A ASN 112.A ND2 ASP 8.A O no hydrogen 2.831 N/A CYS 113.A N ASN 108.A O no hydrogen 3.203 N/A CYS 113.A SG THR 10.A OG1 no hydrogen 3.496 N/A CYS 113.A SG ILE 114.A O no hydrogen 3.948 N/A ILE 114.A N THR 10.A O no hydrogen 2.897 N/A TYR 115.A N THR 106.A O no hydrogen 2.834 N/A TYR 115.A OH GLU 111.A OE1 no hydrogen 2.520 N/A HIS 116.A N HIS 12.A O no hydrogen 2.826 N/A GLU 117.A N ASP 104.A O no hydrogen 3.094 N/A SER 118.A N ARG 14.A O no hydrogen 2.910 N/A THR 119.A N SER 102.A O no hydrogen 2.937 N/A PHE 120.A N GLU 16.A O no hydrogen 3.090 N/A TYR 121.A N ILE 100.A O no hydrogen 2.912 N/A GLY 122.A N CYS 18.A O no hydrogen 3.019 N/A VAL 123.A N VAL 98.A O no hydrogen 2.884 N/A ASN 124.A N ASP 20.A OD1 no hydrogen 2.895 N/A PHE 125.A N ASP 20.A OD2 no hydrogen 3.056 N/A GLY 129.A N PRO 126.A O no hydrogen 2.952 N/A LYS 133.A N GLY 129.A O no hydrogen 3.016 N/A LYS 134.A N VAL 131.A O no hydrogen 3.342 N/A LYS 134.A NZ LEU 51.A O no hydrogen 2.499 N/A MET 135.A N PRO 130.A O no hydrogen 2.871 N/A THR 136.A OG1 SER 54.A OG no hydrogen 2.521 N/A THR 136.A OG1 ASP 56.A OD2 no hydrogen 2.604 N/A THR 137.A N LEU 164.A O no hydrogen 2.862 N/A THR 137.A OG1 LEU 164.A O no hydrogen 3.387 N/A TRP 139.A NE1 ASP 56.A O no hydrogen 2.758 N/A GLU 140.A N TYR 162.A O no hydrogen 2.879 N/A SER 142.A N HIS 196.A O no hydrogen 3.024 N/A GLU 144.A N ILE 194.A O no hydrogen 2.800 N/A LYS 145.A N ASP 158.A O no hydrogen 2.942 N/A ILE 146.A N HIS 192.A O no hydrogen 2.801 N/A ILE 147.A N LYS 156.A O no hydrogen 2.777 N/A ILE 149.A N ILE 154.A O no hydrogen 2.872 N/A GLN 152.A N ILE 149.A O no hydrogen 3.214 N/A LYS 153.A N ASN 150.A O no hydrogen 3.372 N/A ILE 154.A N ILE 149.A O no hydrogen 3.338 N/A LEU 155.A N TYR 179.A O no hydrogen 2.996 N/A LYS 156.A N ILE 147.A O no hydrogen 2.762 N/A GLY 157.A N THR 177.A O no hydrogen 2.871 N/A ASP 158.A N LYS 145.A O no hydrogen 2.961 N/A VAL 159.A N PHE 175.A O no hydrogen 3.116 N/A MET 161.A N CYS 173.A O no hydrogen 2.634 N/A LEU 163.A N TYR 171.A O no hydrogen 2.819 N/A LEU 164.A N ASN 138.A O no hydrogen 2.781 N/A LEU 165.A N GLY 169.A O no hydrogen 2.914 N/A LYS 166.A N MET 135.A O no hydrogen 2.830 N/A LYS 166.A NZ LYS 134.A O no hydrogen 2.777 N/A GLY 168.A N LEU 165.A O no hydrogen 2.942 N/A GLY 169.A N ASP 167.A OD1 no hydrogen 2.877 N/A ARG 170.A NH1 GLU 140.A OE1 no hydrogen 2.621 N/A ARG 170.A NH1 GLU 140.A OE2 no hydrogen 3.546 N/A ARG 170.A NH2 GLU 140.A OE2 no hydrogen 2.816 N/A TYR 171.A N LEU 163.A O no hydrogen 2.887 N/A TYR 171.A OH ASP 95.A OD1 no hydrogen 3.324 N/A TYR 171.A OH ASP 95.A OD2 no hydrogen 2.705 N/A ARG 172.A N GLU 94.A OE2 no hydrogen 2.818 N/A CYS 173.A N MET 161.A O no hydrogen 2.834 N/A GLN 174.A N ARG 92.A O no hydrogen 3.001 N/A GLN 174.A NE2 ASP 158.A OD2 no hydrogen 3.054 N/A GLN 174.A NE2 ASP 176.A OD2 no hydrogen 3.144 N/A PHE 175.A N VAL 159.A O no hydrogen 2.918 N/A ASP 176.A N SER 90.A O no hydrogen 3.198 N/A THR 177.A N GLY 157.A O no hydrogen 3.051 N/A ILE 178.A N HIS 88.A O no hydrogen 2.839 N/A TYR 179.A N LEU 155.A O no hydrogen 2.853 N/A TYR 179.A OH GLU 144.A OE2 no hydrogen 2.639 N/A LYS 180.A N THR 86.A O no hydrogen 2.833 N/A ALA 181.A N TYR 76.A OH no hydrogen 2.853 N/A LYS 182.A N SER 80.A OG.B no hydrogen 3.201 N/A LYS 182.A N GLY 84.A O no hydrogen 3.004 N/A LYS 182.A NZ ALA 83.A O no hydrogen 3.148 N/A LYS 182.A NZ ASP 104.A OD1 no hydrogen 2.735 N/A LYS 182.A NZ ILE 105.A O no hydrogen 2.903 N/A HIS 192.A N ILE 146.A O no hydrogen 2.995 N/A HIS 192.A ND1 ASP 190.A O no hydrogen 2.984 N/A HIS 192.A NE2 TYR 69.A OH no hydrogen 2.729 N/A PHE 193.A N SER 220.A O no hydrogen 2.787 N/A ILE 194.A N GLU 144.A O no hydrogen 2.844 N/A GLN 195.A N ILE 218.A O no hydrogen 2.873 N/A HIS 196.A N SER 142.A O no hydrogen 3.063 N/A HIS 196.A ND1 GLU 215.A OE2 no hydrogen 3.122 N/A HIS 196.A NE2 GLU 144.A OE1 no hydrogen 2.883 N/A LYS 197.A N HIS 216.A O no hydrogen 2.981 N/A ASN 199.A N ILE 214.A O no hydrogen 2.901 N/A ARG 200.A N ASN 138.A OD1 no hydrogen 2.790 N/A ARG 200.A NE ASP 56.A OD1 no hydrogen 2.539 N/A ARG 200.A NH2 ASP 56.A OD2 no hydrogen 2.956 N/A GLU 201.A N GLN 212.A O no hydrogen 2.927 N/A ARG 203.A N LYS 210.A O no hydrogen 2.738 N/A ARG 203.A NE GLU 201.A OE1 no hydrogen 3.257 N/A ARG 203.A NH2 GLU 201.A OE1 no hydrogen 3.310 N/A SER 204.A N ASP 202.A OD1 no hydrogen 3.386 N/A SER 204.A N ASP 202.A OD2 no hydrogen 3.382 N/A SER 204.A OG ASP 202.A OD2 no hydrogen 2.763 N/A SER 204.A OG LYS 210.A O no hydrogen 3.277 N/A ASP 205.A N ASN 208.A O no hydrogen 2.904 N/A LYS 207.A N ASP 205.A OD1 no hydrogen 3.031 N/A ASN 208.A N ASP 205.A OD1 no hydrogen 2.793 N/A GLN 209.A NE2 GLU 55.A OE1 no hydrogen 3.314 N/A LYS 210.A N SER 204.A OG no hydrogen 3.006 N/A LYS 210.A NZ ARG 203.A O no hydrogen 3.080 N/A TRP 211.A N LEU 43.A O no hydrogen 3.007 N/A GLN 212.A N GLU 201.A O no hydrogen 2.928 N/A GLN 212.A NE2 ASN 42.A OD1 no hydrogen 2.951 N/A LEU 213.A N ILE 41.A O no hydrogen 2.772 N/A ILE 214.A N ASN 199.A O no hydrogen 2.842 N/A GLU 215.A N GLN 39.A O no hydrogen 3.015 N/A HIS 216.A N LYS 197.A O no hydrogen 2.965 N/A HIS 216.A ND1 GLY 37.A O no hydrogen 3.313 N/A ALA 217.A N GLY 37.A O no hydrogen 2.875 N/A ILE 218.A N GLN 195.A O no hydrogen 3.049 N/A ALA 219.A N GLU 68.A O no hydrogen 2.958 N/A SER 220.A N PHE 193.A O no hydrogen 2.881 N/A ARG 221.A NH1 TRP 191.A O no hydrogen 2.876 N/A LEU 224.A N SER 222.A OG no hydrogen 3.227 N/A