Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cta_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 44.A OD2 no hydrogen 2.735 N/A ARG 5.A N ASP 1.A O no hydrogen 2.575 N/A ALA 6.A N GLN 2.A O no hydrogen 2.975 N/A ILE 7.A N TYR 3.A O no hydrogen 2.884 N/A LYS 8.A N TYR 4.A O no hydrogen 2.779 N/A LYS 9.A N ARG 5.A O no hydrogen 2.806 N/A LYS 9.A NZ GLU 12.A OE1 no hydrogen 3.425 N/A ILE 10.A N ALA 6.A O no hydrogen 2.931 N/A LYS 11.A N ILE 7.A O no hydrogen 2.842 N/A LYS 11.A NZ SER 17.A O no hydrogen 3.001 N/A LYS 11.A NZ ASN 18.A OD1 no hydrogen 2.764 N/A GLU 12.A N LYS 8.A O no hydrogen 2.806 N/A ALA 13.A N LYS 9.A O no hydrogen 2.847 N/A ALA 14.A N ILE 10.A O no hydrogen 2.857 N/A GLU 15.A N GLU 12.A O no hydrogen 3.022 N/A SER 17.A OG ALA 14.A O no hydrogen 3.036 N/A ARG 19.A N SER 17.A OG no hydrogen 3.013 N/A ALA 20.A N LEU 62.A O no hydrogen 2.804 N/A LEU 22.A N GLN 60.A O no hydrogen 3.117 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.163 N/A LEU 27.A N THR 23.A O no hydrogen 2.995 N/A ALA 28.A N SER 24.A O no hydrogen 2.864 N/A ASP 29.A N SER 25.A O no hydrogen 2.946 N/A MET 30.A N LYS 26.A O no hydrogen 2.991 N/A LEU 31.A N LEU 27.A O no hydrogen 2.888 N/A LEU 31.A N ALA 28.A O no hydrogen 3.212 N/A GLY 32.A N ASP 29.A O no hydrogen 3.373 N/A ILE 33.A N ALA 28.A O no hydrogen 3.033 N/A SER 34.A OG SER 37.A OG no hydrogen 3.151 N/A GLN 35.A NE2 SER 24.A OG no hydrogen 2.895 N/A SER 37.A N SER 34.A OG no hydrogen 3.119 N/A SER 37.A OG SER 34.A OG no hydrogen 3.151 N/A ALA 38.A N SER 34.A O no hydrogen 3.051 N/A SER 39.A N GLN 35.A O no hydrogen 2.849 N/A ARG 40.A N GLN 36.A O no hydrogen 3.016 N/A ARG 40.A NE ASP 44.A OD2 no hydrogen 2.846 N/A ARG 40.A NH2 ASP 44.A OD1 no hydrogen 2.638 N/A ILE 41.A N SER 37.A O no hydrogen 2.978 N/A ILE 42.A N ALA 38.A O no hydrogen 3.007 N/A ILE 43.A N SER 39.A O no hydrogen 3.105 N/A ASP 44.A N ARG 40.A O no hydrogen 2.987 N/A LEU 45.A N ILE 41.A O no hydrogen 2.831 N/A GLU 46.A N ILE 42.A O no hydrogen 2.949 N/A LYS 47.A N ILE 43.A O no hydrogen 2.914 N/A ASN 48.A N ASP 44.A O no hydrogen 3.162 N/A ASN 48.A ND2 ASP 44.A O no hydrogen 2.811 N/A GLY 49.A N GLU 46.A O no hydrogen 3.283 N/A TYR 50.A N LEU 45.A O no hydrogen 2.879 N/A THR 52.A N ASN 63.A O no hydrogen 2.727 N/A ARG 53.A NE GLN 60.A OE1 no hydrogen 2.909 N/A ARG 53.A NH1 GLU 46.A OE1 no hydrogen 2.670 N/A THR 54.A N ILE 61.A O no hydrogen 2.835 N/A THR 56.A N GLY 59.A O no hydrogen 2.998 N/A THR 56.A OG1 GLY 59.A O no hydrogen 2.932 N/A ARG 58.A N THR 56.A OG1 no hydrogen 2.991 N/A GLY 59.A N THR 56.A O no hydrogen 2.924 N/A GLN 60.A NE2 LEU 22.A O no hydrogen 2.694 N/A ILE 61.A N THR 54.A O no hydrogen 2.854 N/A LEU 62.A N ALA 20.A O no hydrogen 2.811 N/A ASN 63.A N THR 52.A O no hydrogen 2.813 N/A ASN 63.A ND2 THR 52.A O no hydrogen 3.369 N/A ASN 63.A ND2 THR 52.A OG1 no hydrogen 2.966 N/A ILE 64.A N ASN 18.A O no hydrogen 2.881 N/A THR 65.A N TYR 50.A O no hydrogen 3.123 N/A THR 65.A OG1 GLY 49.A O no hydrogen 2.515 N/A LYS 67.A NZ ASN 48.A O no hydrogen 3.017 N/A GLY 68.A N THR 65.A OG1 no hydrogen 2.978 N/A LEU 69.A N THR 65.A O no hydrogen 2.935 N/A ASP 70.A N GLU 66.A O no hydrogen 2.980 N/A VAL 71.A N LYS 67.A O no hydrogen 3.266 N/A VAL 71.A N GLY 68.A O no hydrogen 3.198 N/A TYR 73.A N LEU 69.A O no hydrogen 2.854 N/A THR 74.A N ASP 70.A O no hydrogen 2.838 N/A THR 74.A OG1 ASP 70.A O no hydrogen 2.772 N/A THR 74.A OG1 ASP 70.A OD1 no hydrogen 3.325 N/A GLU 75.A N VAL 71.A O no hydrogen 3.201 N/A PHE 76.A N LEU 72.A O no hydrogen 2.992 N/A ALA 77.A N TYR 73.A O no hydrogen 2.855 N/A ASP 78.A N THR 74.A O no hydrogen 2.764 N/A LEU 79.A N GLU 75.A O no hydrogen 3.022 N/A SER 80.A N PHE 76.A O no hydrogen 2.880 N/A SER 80.A OG PHE 76.A O no hydrogen 2.824 N/A ARG 81.A N ALA 77.A O no hydrogen 3.010 N/A ARG 81.A NH2 ASP 78.A OD1 no hydrogen 2.952 N/A ILE 82.A N ASP 78.A O no hydrogen 2.955 N/A LEU 83.A N LEU 79.A O no hydrogen 2.879 N/A ALA 84.A N ARG 81.A O no hydrogen 3.106 N/A ILE 85.A N SER 80.A O no hydrogen 2.681 N/A ASN 87.A ND2 ILE 85.A O no hydrogen 3.391 N/A VAL 89.A N VAL 185.A O no hydrogen 2.922 N/A ILE 91.A N VAL 183.A O no hydrogen 2.789 N/A THR 92.A N SER 121.A OG no hydrogen 3.133 N/A THR 92.A OG1 ASP 118.A OD2 no hydrogen 2.704 N/A GLY 93.A N VAL 181.A O no hydrogen 2.963 N/A THR 94.A N LYS 116.A O no hydrogen 2.793 N/A VAL 95.A N ASP 179.A O no hydrogen 2.863 N/A THR 96.A N ASN 114.A O no hydrogen 3.049 N/A TYR 99.A OH GLY 145.A O no hydrogen 2.541 N/A PHE 103.A N TYR 99.A O no hydrogen 2.952 N/A GLN 104.A N ILE 100.A O no hydrogen 3.036 N/A GLU 105.A N ILE 101.A O no hydrogen 2.941 N/A LYS 106.A N GLN 102.A O no hydrogen 2.688 N/A LYS 106.A NZ HIS 135.A O no hydrogen 2.964 N/A LEU 107.A N PHE 103.A O no hydrogen 2.978 N/A ASN 114.A ND2 LEU 113.A O no hydrogen 2.804 N/A ASN 114.A ND2 GLU 174.A OE2 no hydrogen 3.040 N/A ILE 115.A N ILE 173.A O no hydrogen 2.919 N/A LYS 116.A N THR 94.A O no hydrogen 2.794 N/A VAL 117.A N ASP 171.A O no hydrogen 2.930 N/A ASP 118.A N THR 92.A O no hydrogen 2.920 N/A SER 121.A N ASP 118.A O no hydrogen 2.921 N/A LEU 122.A N GLN 119.A O no hydrogen 3.333 N/A GLU 124.A N SER 121.A O no hydrogen 3.055 N/A LEU 125.A N SER 121.A O no hydrogen 3.106 N/A ARG 126.A N LEU 122.A O no hydrogen 2.916 N/A ARG 126.A NE GLU 66.A OE1 no hydrogen 2.805 N/A ARG 126.A NH2 GLU 66.A OE2 no hydrogen 2.793 N/A LYS 127.A N PRO 123.A O no hydrogen 3.074 N/A ILE 128.A N GLU 124.A O no hydrogen 3.069 N/A ARG 129.A N LEU 125.A O no hydrogen 3.003 N/A ARG 129.A NH1 THR 170.A O no hydrogen 3.048 N/A GLY 130.A N LYS 127.A O no hydrogen 3.022 N/A PHE 131.A N ILE 128.A O no hydrogen 2.969 N/A ILE 134.A N ALA 149.A O no hydrogen 2.686 N/A ILE 136.A N VAL 147.A O no hydrogen 2.880 N/A GLY 138.A N SER 146.A OG no hydrogen 3.301 N/A PHE 139.A N PHE 144.A O no hydrogen 2.933 N/A THR 141.A N ARG 142.A O no hydrogen 2.736 N/A PHE 144.A N PHE 139.A O no hydrogen 2.685 N/A SER 146.A OG HIS 135.A NE2 no hydrogen 3.374 N/A VAL 147.A N ILE 136.A O no hydrogen 2.842 N/A LYS 148.A N MET 163.A O no hydrogen 2.772 N/A LYS 148.A NZ ARG 129.A O no hydrogen 3.022 N/A LYS 148.A NZ PHE 131.A O no hydrogen 2.756 N/A ALA 149.A N ILE 134.A O no hydrogen 2.878 N/A PHE 150.A N VAL 161.A O no hydrogen 2.872 N/A ALA 152.A N CYS 159.A O no hydrogen 2.632 N/A LYS 153.A N GLU 184.A O no hydrogen 2.974 N/A LYS 153.A NZ ASN 156.A OD1 no hydrogen 3.556 N/A ILE 154.A N ILE 157.A O no hydrogen 2.897 N/A ILE 157.A N ILE 154.A O no hydrogen 2.812 N/A CYS 159.A N ALA 152.A O no hydrogen 2.921 N/A CYS 159.A SG ILE 157.A O no hydrogen 3.774 N/A PHE 160.A N ILE 176.A O no hydrogen 2.852 N/A VAL 161.A N PHE 150.A O no hydrogen 2.900 N/A ILE 162.A N GLU 174.A O no hydrogen 2.944 N/A MET 163.A N LYS 148.A O no hydrogen 3.078 N/A GLU 165.A N SER 146.A O no hydrogen 2.943 N/A THR 167.A OG1 ASP 70.A OD2 no hydrogen 3.359 N/A TYR 169.A OH ASP 70.A OD2 no hydrogen 2.570 N/A VAL 172.A N THR 170.A OG1 no hydrogen 3.017 N/A ILE 173.A N ILE 115.A O no hydrogen 2.888 N/A ILE 175.A N LEU 113.A O no hydrogen 3.028 N/A ILE 176.A N PHE 160.A O no hydrogen 2.895 N/A ARG 180.A NH1 ASP 118.A OD1 no hydrogen 2.637 N/A ARG 180.A NH1 ASP 118.A OD2 no hydrogen 2.880 N/A ARG 180.A NH2 ASP 118.A OD2 no hydrogen 2.745 N/A VAL 181.A N GLY 93.A O no hydrogen 2.787 N/A VAL 183.A N ILE 91.A O no hydrogen 2.744 N/A GLU 184.A N LYS 153.A O no hydrogen 3.030 N/A VAL 185.A N VAL 89.A O no hydrogen 2.547 N/A TYR 186.A N PRO 151.A O no hydrogen 2.924 N/A THR 187.A N ASN 88.A OD1 no hydrogen 3.036 N/A THR 187.A OG1 ASN 87.A O no hydrogen 2.732 N/A THR 187.A OG1 ASN 88.A OD1 no hydrogen 3.532 N/A