Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p5u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH ASP 6.A OD2 no hydrogen 3.063 N/A VAL 5.A N TYR 168.A O no hydrogen 2.927 N/A TRP 7.A N VAL 166.A O no hydrogen 2.841 N/A TRP 7.A NE1 VAL 127.A O no hydrogen 2.828 N/A ARG 8.A N ASP 6.A OD1 no hydrogen 3.037 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 2.926 N/A ARG 8.A NE ASP 6.A OD2 no hydrogen 3.335 N/A ARG 8.A NH2 ASP 6.A OD2 no hydrogen 2.854 N/A SER 9.A N ASP 6.A O no hydrogen 3.060 N/A SER 9.A OG.B ASP 6.A O no hydrogen 2.622 N/A SER 10.A OG.A TRP 7.A O no hydrogen 3.473 N/A GLY 11.A N ARG 8.A O no hydrogen 3.228 N/A ALA 12.A N TRP 7.A O no hydrogen 3.025 N/A LYS 17.A NZ GLU 34.A OE2 no hydrogen 2.827 N/A LYS 17.A NZ SER 46.A OG no hydrogen 3.073 N/A LYS 17.A NZ LEU 47.A O no hydrogen 3.375 N/A LYS 17.A NZ GLU 49.A OE2 no hydrogen 2.831 N/A LYS 17.A NZ GLU 85.A OE2 no hydrogen 2.909 N/A GLN 19.A N SER 182.A O no hydrogen 2.804 N/A GLN 19.A NE2 CYS 22.A O no hydrogen 2.845 N/A GLY 20.A N ASP 18.A OD1 no hydrogen 2.825 N/A CYS 22.A N GLY 20.A O no hydrogen 2.906 N/A CYS 22.A SG TYR 90.A OH no hydrogen 3.578 N/A GLY 23.A N CYS 64.A O no hydrogen 2.885 N/A SER 24.A OG TYR 90.A OH no hydrogen 2.669 N/A TRP 25.A NE1 GLY 63.A O no hydrogen 2.885 N/A ALA 26.A N SER 24.A O no hydrogen 2.862 N/A PHE 27.A N SER 24.A O no hydrogen 3.255 N/A SER 28.A OG VAL 163.A O no hydrogen 2.730 N/A THR 29.A N TRP 25.A O no hydrogen 3.025 N/A THR 29.A OG1 TRP 25.A O no hydrogen 2.730 N/A ILE 30.A N ALA 26.A O no hydrogen 2.954 N/A ALA 31.A N PHE 27.A O no hydrogen 2.946 N/A ALA 32.A N SER 28.A O no hydrogen 3.156 N/A VAL 33.A N THR 29.A O no hydrogen 3.032 N/A GLU 34.A N ILE 30.A O no hydrogen 2.767 N/A GLY 35.A N ALA 31.A O no hydrogen 3.053 N/A ILE 36.A N ALA 32.A O no hydrogen 3.063 N/A ASN 37.A N VAL 33.A O no hydrogen 2.977 N/A ASN 37.A ND2 ASP 43.A O no hydrogen 3.264 N/A LYS 38.A N GLU 34.A O no hydrogen 3.175 N/A LYS 38.A NZ GLY 42.A O no hydrogen 2.817 N/A ILE 39.A N GLY 35.A O no hydrogen 3.011 N/A ALA 40.A N ILE 36.A O no hydrogen 2.837 N/A THR 41.A N ASN 37.A O no hydrogen 2.895 N/A THR 41.A OG1 ASN 37.A O no hydrogen 2.625 N/A GLY 42.A N LYS 38.A O no hydrogen 2.844 N/A ASP 43.A N THR 41.A OG1 no hydrogen 3.380 N/A LEU 47.A N GLU 34.A OE2 no hydrogen 2.893 N/A SER 48.A N ASN 83.A O no hydrogen 3.067 N/A SER 48.A OG TYR 88.A O no hydrogen 2.805 N/A GLN 50.A NE2 ASP 54.A OD1 no hydrogen 2.919 N/A GLN 50.A NE2 GLU 93.A O no hydrogen 2.839 N/A GLU 51.A N SER 48.A OG no hydrogen 2.957 N/A VAL 53.A N GLU 49.A O no hydrogen 3.042 N/A ASP 54.A N GLN 50.A O no hydrogen 2.818 N/A CYS 55.A N GLU 51.A O no hydrogen 2.751 N/A CYS 55.A SG TYR 88.A OH no hydrogen 3.887 N/A GLY 56.A N LEU 52.A O no hydrogen 2.866 N/A THR 58.A N THR 61.A O no hydrogen 2.885 N/A THR 58.A OG1 ASP 71.A OD2 no hydrogen 2.938 N/A ASN 60.A N THR 58.A OG1 no hydrogen 3.182 N/A THR 61.A N THR 58.A OG1 no hydrogen 2.856 N/A THR 61.A OG1 ASP 71.A OD2 no hydrogen 2.626 N/A ARG 62.A N GLY 66.A O no hydrogen 2.825 N/A ARG 62.A NE GLN 59.A O no hydrogen 3.227 N/A ARG 62.A NH2 GLN 59.A O no hydrogen 3.121 N/A CYS 64.A N GLU 94.A OE2 no hydrogen 2.915 N/A CYS 64.A SG ALA 92.A O no hydrogen 3.859 N/A ASP 65.A N ARG 62.A O no hydrogen 2.827 N/A GLY 66.A N GLY 23.A O no hydrogen 3.076 N/A PHE 68.A N THR 61.A OG1 no hydrogen 2.993 N/A GLY 72.A N PHE 68.A O no hydrogen 3.137 N/A PHE 73.A N MET 69.A O no hydrogen 2.836 N/A GLN 74.A N THR 70.A O no hydrogen 2.904 N/A GLN 74.A NE2 ASN 78.A OD1 no hydrogen 3.230 N/A PHE 75.A N ASP 71.A O no hydrogen 2.917 N/A ILE 76.A N GLY 72.A O no hydrogen 3.252 N/A ILE 77.A N PHE 73.A O no hydrogen 2.997 N/A ASN 78.A N GLN 74.A O no hydrogen 2.800 N/A ASN 79.A N PHE 75.A O no hydrogen 2.787 N/A ASN 79.A ND2 GLY 81.A O no hydrogen 3.028 N/A ASN 79.A ND2 GLN 102.A O no hydrogen 3.016 N/A GLY 80.A N ILE 77.A O no hydrogen 3.062 N/A GLY 81.A N ILE 76.A O no hydrogen 2.926 N/A ILE 82.A N VAL 107.A O no hydrogen 2.940 N/A ASN 83.A N GLU 51.A OE1 no hydrogen 2.871 N/A ASN 83.A ND2 LEU 101.A O no hydrogen 2.971 N/A ASN 83.A ND2 GLU 104.A OE1 no hydrogen 2.940 N/A THR 84.A N ASN 83.A OD1 no hydrogen 2.733 N/A GLU 85.A N SER 46.A O no hydrogen 2.777 N/A ASN 87.A N THR 84.A OG1 no hydrogen 3.144 N/A ASN 87.A ND2 ASN 83.A OD1 no hydrogen 3.133 N/A TYR 88.A N THR 84.A O no hydrogen 3.057 N/A TYR 88.A OH ASP 54.A OD2 no hydrogen 2.842 N/A TYR 90.A OH GLN 19.A O no hydrogen 2.581 N/A TYR 90.A OH SER 24.A OG no hydrogen 2.669 N/A THR 91.A N GLN 50.A OE1 no hydrogen 2.825 N/A THR 91.A OG1 GLN 50.A OE1 no hydrogen 3.113 N/A GLU 93.A N THR 91.A OG1 no hydrogen 3.223 N/A GLY 95.A N ASP 54.A OD1 no hydrogen 3.029 N/A ASN 98.A N TYR 88.A OH no hydrogen 3.051 N/A LEU 101.A N ASN 98.A OD1 no hydrogen 3.098 N/A GLN 102.A N ASN 98.A O no hydrogen 2.899 N/A GLN 103.A N LEU 99.A O no hydrogen 3.113 N/A GLN 103.A N ASP 100.A O no hydrogen 3.313 N/A GLN 103.A NE2.A GLN 102.A OE1 no hydrogen 3.690 N/A GLU 104.A N LEU 101.A O no hydrogen 3.115 N/A LYS 105.A NZ ASN 79.A O no hydrogen 2.986 N/A TYR 106.A N ILE 82.A O no hydrogen 3.000 N/A VAL 107.A N ILE 82.A O no hydrogen 3.394 N/A SER 108.A OG.B GLY 80.A O no hydrogen 3.210 N/A ASP 110.A N VAL 215.A O no hydrogen 2.835 N/A THR 111.A N VAL 215.A O no hydrogen 3.292 N/A THR 111.A OG1 TYR 112.A O no hydrogen 3.365 N/A GLU 113.A N TYR 213.A O no hydrogen 2.927 N/A VAL 115.A N ALA 211.A O no hydrogen 2.848 N/A ASN 118.A N ALA 208.A O no hydrogen 3.048 N/A ALA 122.A N ASN 119.A OD1 no hydrogen 2.971 N/A LEU 123.A N ASN 119.A O no hydrogen 2.973 N/A GLN 124.A N GLU 120.A O no hydrogen 2.749 N/A GLN 124.A NE2 TYR 168.A OH no hydrogen 3.335 N/A THR 125.A N TRP 121.A O no hydrogen 2.968 N/A THR 125.A OG1 TRP 121.A O no hydrogen 2.909 N/A ALA 126.A N ALA 122.A O no hydrogen 3.020 N/A VAL 127.A N LEU 123.A O no hydrogen 2.900 N/A ALA 128.A N GLN 124.A O no hydrogen 2.904 N/A TYR 129.A N ALA 126.A O no hydrogen 3.071 N/A GLN 130.A N ALA 126.A O no hydrogen 3.135 N/A VAL 132.A N ILE 165.A O no hydrogen 2.955 N/A SER 133.A N SER 212.A O no hydrogen 2.895 N/A SER 133.A OG SER 28.A O no hydrogen 3.007 N/A SER 133.A OG SER 28.A OG no hydrogen 3.139 N/A VAL 134.A N VAL 163.A O no hydrogen 3.049 N/A LEU 136.A N HIS 161.A O no hydrogen 2.817 N/A GLU 137.A N CYS 205.A O no hydrogen 2.832 N/A ALA 138.A N ASP 160.A OD1 no hydrogen 2.955 N/A ALA 139.A N GLU 137.A OE2 no hydrogen 2.853 N/A GLN 144.A N GLY 140.A O no hydrogen 2.988 N/A GLN 144.A NE2 ALA 138.A O no hydrogen 2.863 N/A HIS 145.A N TYR 141.A O no hydrogen 2.899 N/A HIS 145.A ND1 TYR 141.A O no hydrogen 2.940 N/A TYR 146.A N PHE 143.A O no hydrogen 3.278 N/A TYR 146.A OH GLY 149.A O no hydrogen 2.613 N/A GLY 149.A N GLU 189.A OE2 no hydrogen 2.942 N/A PHE 151.A N ARG 194.A O no hydrogen 2.797 N/A CYS 155.A SG GLY 156.A O no hydrogen 3.868 N/A GLY 156.A N GLU 137.A OE1 no hydrogen 2.789 N/A HIS 161.A N LEU 136.A O no hydrogen 3.034 N/A HIS 161.A NE2 ASN 181.A OD1 no hydrogen 2.807 N/A VAL 163.A N VAL 134.A O no hydrogen 2.837 N/A THR 164.A N LYS 180.A O no hydrogen 3.125 N/A ILE 165.A N VAL 132.A O no hydrogen 2.768 N/A VAL 166.A N ILE 178.A O no hydrogen 2.803 N/A TYR 168.A N VAL 5.A O no hydrogen 2.840 N/A TYR 168.A OH PRO 2.A O no hydrogen 2.668 N/A GLY 169.A N TYR 176.A O no hydrogen 3.008 N/A THR 170.A OG1 ASP 175.A OD1 no hydrogen 2.801 N/A GLU 171.A N ILE 174.A O no hydrogen 3.025 N/A ILE 174.A N GLU 171.A O no hydrogen 3.012 N/A TYR 176.A N GLY 169.A O no hydrogen 2.869 N/A TYR 176.A OH GLU 171.A OE2.A no hydrogen 3.100 N/A TRP 177.A N ILE 195.A O no hydrogen 2.743 N/A TRP 177.A NE1 GLU 120.A OE2.A no hydrogen 3.057 N/A ILE 178.A N GLY 167.A O no hydrogen 2.808 N/A VAL 179.A N MET 193.A O no hydrogen 2.742 N/A LYS 180.A N THR 164.A O no hydrogen 2.701 N/A LYS 180.A NZ VAL 14.A O no hydrogen 2.728 N/A ASN 181.A N GLY 191.A O no hydrogen 3.215 N/A SER 182.A N ASN 181.A OD1 no hydrogen 2.762 N/A SER 182.A OG GLN 19.A OE1 no hydrogen 2.702 N/A GLY 184.A N LYS 17.A O no hydrogen 3.085 N/A TRP 187.A NE1 PHE 143.A O no hydrogen 3.190 N/A GLY 188.A N TYR 146.A O no hydrogen 3.225 N/A GLU 189.A N TYR 192.A O no hydrogen 2.728 N/A GLY 191.A N TRP 187.A O no hydrogen 2.760 N/A TYR 192.A N GLU 189.A O no hydrogen 3.150 N/A MET 193.A N VAL 179.A O no hydrogen 2.884 N/A ARG 194.A N TYR 146.A OH no hydrogen 3.186 N/A ARG 194.A NE GLU 189.A OE1 no hydrogen 2.860 N/A ARG 194.A NH1 GLU 171.A OE1.B no hydrogen 3.198 N/A ARG 194.A NH1 GLU 171.A OE2.B no hydrogen 3.351 N/A ARG 194.A NH2 GLU 189.A OE2 no hydrogen 2.790 N/A ILE 195.A N TRP 177.A O no hydrogen 2.984 N/A GLN 196.A N PHE 151.A O no hydrogen 2.895 N/A ARG 197.A N ASP 175.A O no hydrogen 2.889 N/A ARG 197.A NE TYR 176.A O no hydrogen 2.976 N/A ARG 197.A NH2 GLY 169.A O no hydrogen 2.907 N/A ASN 198.A N GLU 120.A OE2.A no hydrogen 2.888 N/A ASN 198.A ND2 ASP 175.A OD2 no hydrogen 2.929 N/A VAL 199.A N GLU 120.A OE1.A no hydrogen 2.811 N/A VAL 199.A N GLU 120.A OE2.B no hydrogen 3.111 N/A GLY 200.A N GLU 120.A OE1.A no hydrogen 2.997 N/A GLY 200.A N GLU 120.A OE1.B no hydrogen 2.591 N/A GLY 203.A N GLY 200.A O no hydrogen 3.071 N/A GLY 206.A N GLY 203.A O no hydrogen 2.898 N/A ILE 207.A N GLN 204.A O no hydrogen 3.069 N/A ALA 208.A N VAL 202.A O no hydrogen 2.830 N/A LYS 209.A N GLY 206.A O no hydrogen 3.005 N/A LYS 209.A NZ THR 157.A O no hydrogen 2.779 N/A SER 212.A N SER 133.A O no hydrogen 2.895 N/A TYR 213.A N GLU 113.A O no hydrogen 2.953 N/A TYR 213.A OH GLU 113.A OE1 no hydrogen 2.698 N/A VAL 215.A N THR 111.A O no hydrogen 2.774 N/A LYS 216.A NZ SER 108.A O no hydrogen 2.849 N/A TYR 217.A N ASP 110.A OD2 no hydrogen 2.877 N/A ASN 219.A ND2 TYR 129.A OH no hydrogen 2.989 N/A