Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3spd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N SER 1.A OG no hydrogen 3.087 N/A ASP 4.A N SER 1.A O no hydrogen 3.076 N/A ASN 5.A N PHE 2.A O no hydrogen 3.090 N/A LYS 7.A N ASP 4.A O no hydrogen 3.050 N/A TYR 9.A N LEU 6.A O no hydrogen 3.049 N/A GLU 11.A N LYS 7.A O no hydrogen 2.979 N/A SER 12.A N VAL 8.A O no hydrogen 2.916 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.656 N/A SER 15.A N SER 12.A O no hydrogen 2.942 N/A SER 15.A OG SER 12.A O no hydrogen 3.407 N/A TYR 16.A N PRO 13.A O no hydrogen 3.257 N/A VAL 19.A N TYR 16.A O no hydrogen 3.090 N/A ILE 20.A N LEU 28.A O no hydrogen 2.835 N/A TYR 21.A N LEU 28.A O no hydrogen 3.372 N/A TYR 21.A OH ASP 23.A OD2 no hydrogen 2.809 N/A ASP 23.A N VAL 26.A O no hydrogen 3.034 N/A ASP 25.A N ASP 23.A OD1 no hydrogen 2.866 N/A VAL 26.A N ASP 23.A OD1 no hydrogen 2.884 N/A VAL 27.A N MET 43.A O no hydrogen 2.837 N/A LEU 28.A N TYR 21.A O no hydrogen 2.913 N/A VAL 29.A N LEU 41.A O no hydrogen 2.864 N/A ARG 30.A N ASN 18.A O no hydrogen 2.945 N/A ARG 30.A NE GLU 83.A OE1 no hydrogen 3.220 N/A ARG 30.A NE GLU 83.A OE2 no hydrogen 2.914 N/A ARG 30.A NH1 ASN 18.A OD1 no hydrogen 2.903 N/A ARG 30.A NH2 GLU 83.A OE1 no hydrogen 3.146 N/A ASP 31.A N HIS 39.A O no hydrogen 2.957 N/A PHE 33.A N ASP 31.A OD1 no hydrogen 2.712 N/A LYS 35.A N HIS 39.A ND1 no hydrogen 2.985 N/A LYS 35.A NZ PHE 33.A O no hydrogen 2.934 N/A SER 36.A OG LYS 35.A O no hydrogen 3.262 N/A SER 36.A OG THR 120.A O no hydrogen 2.749 N/A SER 36.A OG HIS 123.A ND1 no hydrogen 3.151 N/A LYS 37.A N ASP 122.A OD1 no hydrogen 2.753 N/A MET 38.A N THR 120.A OG1 no hydrogen 3.181 N/A HIS 39.A NE2 HIS 117.A ND1 no hydrogen 2.885 N/A LEU 40.A N ILE 118.A O no hydrogen 2.796 N/A LEU 41.A N VAL 29.A O no hydrogen 2.692 N/A LEU 42.A N LEU 116.A O no hydrogen 2.853 N/A MET 43.A N VAL 27.A O no hydrogen 2.757 N/A ARG 45.A N ASP 25.A O no hydrogen 2.836 N/A ARG 45.A NE ILE 10.A O no hydrogen 2.921 N/A ARG 45.A NH1 ASP 23.A O no hydrogen 2.791 N/A ARG 45.A NH2 ILE 10.A O no hydrogen 3.056 N/A ASP 46.A N THR 44.A OG1 no hydrogen 3.130 N/A HIS 48.A N ASP 46.A OD1 no hydrogen 2.920 N/A LEU 49.A N ASP 46.A OD1 no hydrogen 3.089 N/A THR 50.A N ASP 46.A O no hydrogen 2.909 N/A THR 50.A OG1 ASN 113.A OD1 no hydrogen 2.860 N/A HIS 51.A N HIS 48.A O no hydrogen 3.035 N/A VAL 52.A N LEU 49.A O no hydrogen 3.038 N/A LEU 55.A N HIS 53.A ND1 no hydrogen 3.060 N/A ILE 57.A N HIS 53.A O no hydrogen 2.922 N/A MET 58.A N PRO 54.A O no hydrogen 2.904 N/A MET 59.A N LEU 55.A O no hydrogen 2.965 N/A LYS 60.A N GLU 56.A O no hydrogen 2.887 N/A LYS 60.A NZ GLU 56.A OE1 no hydrogen 2.938 N/A HIS 61.A N ILE 57.A O no hydrogen 2.936 N/A ARG 62.A NH1 MET 58.A O no hydrogen 2.838 N/A VAL 65.A N HIS 61.A O no hydrogen 3.168 N/A GLU 66.A N ARG 62.A O no hydrogen 2.905 N/A LYS 67.A N SER 63.A O no hydrogen 2.954 N/A LYS 67.A NZ ASP 25.A OD2 no hydrogen 3.424 N/A LEU 68.A N LEU 64.A O no hydrogen 2.873 N/A VAL 69.A N VAL 65.A O no hydrogen 2.972 N/A SER 70.A N GLU 66.A O no hydrogen 2.865 N/A TYR 71.A N LYS 67.A O no hydrogen 3.018 N/A TYR 71.A OH ASP 23.A OD2 no hydrogen 2.540 N/A VAL 72.A N LEU 68.A O no hydrogen 3.061 N/A GLN 73.A N VAL 69.A O no hydrogen 2.936 N/A GLY 74.A N TYR 71.A O no hydrogen 3.350 N/A LEU 76.A N TYR 71.A O no hydrogen 2.908 N/A SER 77.A N GLY 74.A O no hydrogen 2.906 N/A SER 77.A OG GLY 74.A O no hydrogen 2.655 N/A ILE 80.A N LEU 76.A O no hydrogen 2.876 N/A PHE 81.A N SER 77.A O no hydrogen 3.019 N/A ASP 82.A N GLY 78.A O no hydrogen 3.007 N/A GLU 83.A N LEU 79.A O no hydrogen 2.980 N/A ALA 84.A N ILE 80.A O no hydrogen 2.889 N/A ARG 85.A N PHE 81.A O no hydrogen 2.916 N/A ARG 85.A NH1 LEU 92.A O no hydrogen 2.938 N/A ARG 85.A NH1 ASN 94.A OD1 no hydrogen 2.861 N/A ARG 85.A NH2 ASN 94.A OD1 no hydrogen 2.930 N/A ASN 86.A N ASP 82.A O no hydrogen 2.919 N/A CYS 87.A N GLU 83.A O no hydrogen 2.908 N/A CYS 87.A SG LYS 37.A O no hydrogen 3.406 N/A CYS 87.A SG GLU 83.A O no hydrogen 3.226 N/A CYS 87.A SG GLU 83.A OE2 no hydrogen 3.669 N/A LEU 88.A N ALA 84.A O no hydrogen 2.751 N/A GLN 91.A N SER 89.A OG no hydrogen 2.975 N/A LEU 92.A N SER 89.A O no hydrogen 3.249 N/A ALA 96.A N THR 93.A OG1 no hydrogen 3.115 N/A LEU 97.A N THR 93.A O no hydrogen 2.975 N/A ALA 98.A N ASN 94.A O no hydrogen 2.877 N/A TYR 100.A N LEU 97.A O no hydrogen 2.774 N/A LYS 102.A N MET 119.A O no hydrogen 2.801 N/A LYS 102.A NZ HIS 123.A NE2 no hydrogen 2.778 N/A LYS 102.A NZ PHE 137.A O no hydrogen 2.816 N/A GLY 104.A N HIS 117.A O no hydrogen 3.060 N/A PHE 105.A N VAL 143.A O no hydrogen 2.831 N/A ALA 107.A N PHE 141.A O no hydrogen 2.826 N/A ASN 112.A N ARG 3.A O no hydrogen 2.768 N/A ASN 112.A ND2 ASP 4.A OD1 no hydrogen 3.342 N/A LEU 114.A N THR 50.A O no hydrogen 2.794 N/A HIS 115.A ND1 ASN 113.A O no hydrogen 2.673 N/A LEU 116.A N LEU 42.A O no hydrogen 2.929 N/A HIS 117.A N GLY 104.A O no hydrogen 2.879 N/A HIS 117.A ND1 HIS 39.A NE2 no hydrogen 2.885 N/A ILE 118.A N LEU 40.A O no hydrogen 2.863 N/A MET 119.A N LYS 102.A O no hydrogen 3.066 N/A THR 120.A N MET 38.A O no hydrogen 3.109 N/A THR 120.A OG1 ASP 122.A OD2 no hydrogen 2.570 N/A LEU 121.A N TYR 100.A O no hydrogen 3.064 N/A HIS 123.A N SER 36.A OG no hydrogen 2.936 N/A HIS 123.A ND1 LYS 35.A O no hydrogen 2.879 N/A VAL 124.A N ASP 122.A OD1 no hydrogen 2.758 N/A SER 125.A OG PRO 34.A O no hydrogen 2.539 N/A SER 127.A N SER 125.A OG no hydrogen 3.336 N/A LEU 128.A N SER 125.A O no hydrogen 3.012 N/A LYS 129.A N HIS 133.A ND1 no hydrogen 3.086 N/A HIS 133.A N ASN 130.A OD1 no hydrogen 2.988 N/A TYR 134.A N ASN 130.A O no hydrogen 3.404 N/A TYR 134.A OH LYS 167.A O no hydrogen 2.795 N/A ILE 135.A N SER 131.A O no hydrogen 2.837 N/A SER 136.A N ALA 132.A O no hydrogen 2.919 N/A SER 136.A OG HIS 106.A NE2 no hydrogen 3.307 N/A SER 136.A OG ALA 132.A O no hydrogen 3.435 N/A SER 136.A OG HIS 133.A O no hydrogen 2.659 N/A PHE 137.A N TYR 134.A O no hydrogen 3.135 N/A THR 138.A N ILE 135.A O no hydrogen 3.236 N/A THR 138.A OG1 TYR 134.A O no hydrogen 2.782 N/A SER 139.A OG ILE 135.A O no hydrogen 2.871 N/A PHE 141.A N SER 139.A OG no hydrogen 3.037 N/A PHE 142.A N SER 139.A O no hydrogen 2.918 N/A VAL 143.A N PHE 105.A O no hydrogen 2.678 N/A ILE 145.A N VAL 103.A O no hydrogen 2.909 N/A THR 147.A N LYS 144.A O no hydrogen 2.968 N/A THR 147.A OG1 LYS 144.A O no hydrogen 2.515 N/A THR 149.A OG1 MET 58.A O no hydrogen 3.523 N/A ASN 151.A N PRO 148.A O no hydrogen 2.787 N/A LEU 152.A N THR 149.A O no hydrogen 3.201 N/A THR 157.A N THR 154.A O no hydrogen 3.300 N/A THR 157.A OG1 THR 154.A O no hydrogen 2.697 N/A LEU 161.A N LEU 158.A O no hydrogen 2.984 N/A PHE 162.A N THR 159.A O no hydrogen 3.289 N/A GLN 163.A N SER 160.A O no hydrogen 3.278 N/A GLU 164.A N LEU 161.A O no hydrogen 3.171 N/A LEU 166.A N GLY 176.A O no hydrogen 2.653 N/A CYS 168.A N GLU 173.A O no hydrogen 2.772 N/A CYS 168.A SG HIS 185.A NE2 no hydrogen 3.523 N/A CYS 168.A SG GLU 189.A OE2 no hydrogen 3.539 N/A ARG 170.A NH1 GLU 189.A OE1 no hydrogen 2.841 N/A ARG 170.A NH1 ASP 192.A OD1.B no hydrogen 2.934 N/A CYS 171.A SG HIS 185.A NE2 no hydrogen 3.672 N/A GLY 172.A N CYS 168.A O no hydrogen 3.130 N/A PHE 175.A N LEU 166.A O no hydrogen 2.859 N/A ARG 177.A NH1 PHE 162.A O no hydrogen 2.925 N/A ARG 177.A NH1 GLU 164.A O no hydrogen 2.795 N/A ARG 177.A NH2 PHE 162.A O no hydrogen 3.381 N/A HIS 178.A N PHE 175.A O no hydrogen 2.834 N/A PHE 179.A N ARG 177.A O no hydrogen 3.008 N/A LEU 182.A N HIS 178.A O no hydrogen 3.112 N/A LYS 183.A N PHE 179.A O no hydrogen 2.815 N/A LYS 183.A NZ LEU 128.A O no hydrogen 2.828 N/A ALA 184.A N THR 180.A O no hydrogen 3.168 N/A HIS 185.A N LYS 181.A O no hydrogen 3.069 N/A LEU 186.A N LEU 182.A O no hydrogen 2.805 N/A GLN 187.A N LYS 183.A O no hydrogen 3.227 N/A GLN 187.A NE2 GLN 187.A O no hydrogen 3.343 N/A GLN 187.A NE2 ASP 191.A OD1 no hydrogen 3.010 N/A GLU 188.A N ALA 184.A O no hydrogen 3.190 N/A GLU 189.A N HIS 185.A O no hydrogen 2.869 N/A TYR 190.A N LEU 186.A O no hydrogen 2.902 N/A ASP 191.A N GLN 187.A O no hydrogen 2.932 N/A ASP 192.A N GLU 188.A O no hydrogen 2.885 N/A TRP 193.A N GLU 189.A O no hydrogen 2.914 N/A LEU 194.A N TYR 190.A O no hydrogen 2.850 N/A ASP 195.A N ASP 191.A O no hydrogen 3.072 N/A LYS 196.A N ASP 192.A O no hydrogen 3.093 N/A SER 197.A N TRP 193.A O no hydrogen 2.882 N/A SER 197.A N LEU 194.A O no hydrogen 3.101 N/A SER 197.A OG TRP 193.A O no hydrogen 2.739 N/A VAL 198.A N LEU 194.A O no hydrogen 2.992 N/A SER 199.A N ASP 195.A O no hydrogen 3.227 N/A SER 199.A OG ASP 195.A O no hydrogen 2.672 N/A MET 200.A N SER 197.A O no hydrogen 3.214 N/A