Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xdq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N VAL 236.A O no hydrogen 2.816 N/A PHE 3.A N VAL 236.A O no hydrogen 3.304 N/A ASP 5.A N ILE 234.A O no hydrogen 2.917 N/A PHE 7.A N ASP 5.A OD1 no hydrogen 2.811 N/A GLY 12.A N HIS 53.A O no hydrogen 2.871 N/A SER 13.A N PRO 10.A O no hydrogen 3.065 N/A SER 13.A OG PRO 10.A O no hydrogen 2.683 N/A SER 13.A OG HIS 53.A ND1 no hydrogen 2.848 N/A ALA 18.A N ASP 16.A OD1 no hydrogen 2.913 N/A LYS 19.A N ASP 16.A O no hydrogen 2.898 N/A LYS 19.A NZ ALA 4.A O no hydrogen 2.798 N/A TRP 20.A N ASP 16.A O no hydrogen 2.920 N/A TRP 20.A NE1 ASP 5.A OD2 no hydrogen 2.759 N/A PHE 21.A N VAL 81.A O no hydrogen 2.811 N/A VAL 23.A N LYS 79.A O no hydrogen 2.938 N/A ARG 26.A NE GLU 27.A OE2 no hydrogen 2.960 N/A ARG 26.A NH2 GLY 42.A O no hydrogen 2.879 N/A ARG 26.A NH2 VAL 212.A O no hydrogen 2.858 N/A GLU 27.A N GLU 27.A OE1 no hydrogen 2.764 N/A ASP 36.A N VAL 33.A O no hydrogen 2.900 N/A LYS 37.A N GLU 34.A O no hydrogen 3.304 N/A LYS 37.A NZ GLU 34.A OE1 no hydrogen 2.787 N/A TYR 39.A OH GLU 34.A OE2 no hydrogen 2.591 N/A ASN 40.A N LYS 37.A O no hydrogen 2.947 N/A ASN 40.A ND2 GLU 34.A O no hydrogen 2.937 N/A MET 41.A N PRO 38.A O no hydrogen 3.032 N/A GLY 42.A N VAL 212.A O no hydrogen 2.883 N/A ARG 43.A N TYR 75.A O no hydrogen 2.940 N/A ARG 43.A NE ARG 72.A O no hydrogen 2.761 N/A ARG 43.A NH2 GLU 73.A O no hydrogen 3.012 N/A VAL 45.A N SER 77.A O no hydrogen 2.974 N/A GLN 48.A NE2 THR 46.A O no hydrogen 2.974 N/A GLN 48.A NE2 VAL 51.A O no hydrogen 2.884 N/A GLU 49.A N ASP 47.A OD1 no hydrogen 2.969 N/A HIS 50.A N ASP 47.A O no hydrogen 3.094 N/A HIS 50.A ND1 ASP 47.A OD1 no hydrogen 2.727 N/A HIS 50.A NE2 THR 64.A OG1 no hydrogen 2.685 N/A VAL 51.A N ASP 47.A O no hydrogen 3.066 N/A PHE 52.A N VAL 60.A O no hydrogen 3.024 N/A HIS 53.A N SER 13.A O no hydrogen 2.882 N/A HIS 53.A ND1 SER 13.A OG no hydrogen 2.848 N/A ASP 54.A N ASN 58.A O no hydrogen 2.904 N/A ASN 56.A N ASP 54.A OD1 no hydrogen 2.777 N/A ASN 58.A N ASP 54.A OD1 no hydrogen 2.996 N/A LEU 59.A N ILE 231.A O no hydrogen 2.817 N/A VAL 60.A N PHE 52.A O no hydrogen 2.776 N/A ILE 61.A N MET 229.A O no hydrogen 2.919 N/A ARG 62.A N HIS 50.A O no hydrogen 2.814 N/A ARG 62.A NE ASP 228.A OD1 no hydrogen 2.739 N/A ARG 62.A NH2 ASP 228.A OD2 no hydrogen 2.887 N/A ALA 63.A N ALA 227.A O no hydrogen 2.863 N/A THR 64.A N ALA 76.A O no hydrogen 2.855 N/A THR 64.A OG1 HIS 50.A NE2 no hydrogen 2.685 N/A THR 64.A OG1 ALA 76.A O no hydrogen 3.522 N/A ARG 65.A NE TYR 75.A OH no hydrogen 2.872 N/A ARG 65.A NH1 GLY 223.A O no hydrogen 3.278 N/A ARG 65.A NH2 TYR 75.A OH no hydrogen 3.262 N/A ARG 65.A NH2 PRO 220.A O no hydrogen 2.896 N/A ARG 65.A NH2 GLY 223.A O no hydrogen 2.862 N/A GLY 66.A N LYS 74.A O no hydrogen 2.738 N/A ALA 69.A N GLU 73.A OE1 no hydrogen 2.800 N/A ARG 72.A N TYR 39.A O no hydrogen 3.053 N/A GLU 73.A N ASN 70.A OD1 no hydrogen 2.866 N/A LYS 74.A N ASN 70.A O no hydrogen 2.961 N/A LYS 74.A NZ GLY 68.A O no hydrogen 2.945 N/A TYR 75.A N ILE 71.A O no hydrogen 2.956 N/A ALA 76.A N THR 64.A O no hydrogen 3.212 N/A SER 77.A N ARG 43.A O no hydrogen 2.871 N/A SER 77.A OG.A ILE 210.A O no hydrogen 2.567 N/A SER 77.A OG.B ILE 210.A O no hydrogen 2.647 N/A ILE 80.A N PHE 208.A O no hydrogen 2.923 N/A VAL 81.A N PHE 21.A O no hydrogen 2.895 N/A GLY 82.A N PRO 206.A O no hydrogen 2.791 N/A LEU 83.A N LYS 19.A O no hydrogen 2.767 N/A ARG 85.A NE THR 203.A OG1 no hydrogen 2.810 N/A ARG 85.A NH2 THR 203.A O no hydrogen 3.041 N/A GLY 86.A N MET 204.A O no hydrogen 2.898 N/A GLY 89.A N TRP 166.A O no hydrogen 2.723 N/A THR 90.A N GLY 87.A O no hydrogen 3.389 N/A THR 90.A OG1 GLY 87.A O no hydrogen 2.618 N/A THR 91.A N PHE 237.A O no hydrogen 2.824 N/A THR 91.A OG1 THR 165.A OG1 no hydrogen 3.295 N/A TRP 92.A N MET 164.A O no hydrogen 2.873 N/A TRP 92.A NE1 THR 90.A OG1 no hydrogen 2.806 N/A GLU 93.A N ARG 235.A O no hydrogen 2.942 N/A ALA 94.A N TRP 162.A O no hydrogen 3.013 N/A ARG 95.A N TRP 233.A O no hydrogen 3.012 N/A ARG 95.A NH1 ASP 232.A OD2 no hydrogen 2.955 N/A VAL 96.A N HIS 160.A O no hydrogen 2.892 N/A LYS 97.A N ILE 230.A O no hydrogen 2.786 N/A LYS 97.A NZ ASN 99.A OD1 no hydrogen 2.782 N/A LYS 97.A NZ SER 157.A O no hydrogen 2.750 N/A CYS 100.A SG ASP 228.A O no hydrogen 3.517 N/A THR 102.A N CYS 100.A O no hydrogen 2.990 N/A GLY 104.A N GLY 129.A O no hydrogen 3.001 N/A ALA 105.A N THR 102.A O no hydrogen 3.083 N/A TRP 106.A NE1 GLU 126.A OE2 no hydrogen 2.951 N/A ALA 108.A N ASN 209.A O no hydrogen 3.033 N/A PHE 109.A N PHE 125.A O no hydrogen 3.128 N/A TRP 110.A N VAL 207.A O no hydrogen 3.008 N/A TRP 110.A NE1 ASN 209.A OD1 no hydrogen 2.799 N/A LEU 111.A N ILE 122.A O no hydrogen 2.781 N/A LEU 112.A N VAL 205.A O no hydrogen 2.889 N/A ASN 113.A N ALA 120.A O no hydrogen 2.957 N/A ASN 113.A ND2 THR 203.A O no hydrogen 2.927 N/A ASP 115.A N ASN 113.A OD1 no hydrogen 2.924 N/A VAL 117.A N ASP 115.A OD2 no hydrogen 3.005 N/A ARG 118.A N ASP 115.A OD2 no hydrogen 2.780 N/A ARG 118.A NE ASP 199.A OD2 no hydrogen 2.761 N/A ARG 118.A NH1 GLU 194.A OE1 no hydrogen 2.865 N/A ARG 118.A NH2 ASP 199.A OD1 no hydrogen 2.862 N/A ARG 118.A NH2 ASP 199.A OD2 no hydrogen 3.482 N/A ALA 120.A N ASN 113.A O no hydrogen 2.884 N/A GLU 121.A N HIS 140.A O no hydrogen 3.133 N/A ILE 122.A N LEU 111.A O no hydrogen 2.922 N/A ASP 123.A N THR 138.A O no hydrogen 2.779 N/A ILE 124.A N PHE 109.A O no hydrogen 2.835 N/A PHE 125.A N PHE 109.A O no hydrogen 3.327 N/A TRP 127.A N PRO 107.A O no hydrogen 3.212 N/A ASN 130.A ND2 SER 215.A O no hydrogen 2.982 N/A ARG 131.A NH2.B ASP 103.A OD1 no hydrogen 2.852 N/A TRP 133.A N ASN 130.A OD1 no hydrogen 2.982 N/A SER 135.A OG TYR 153.A O no hydrogen 2.730 N/A GLY 136.A N GLU 126.A O no hydrogen 3.042 N/A ALA 137.A N GLN 151.A O no hydrogen 3.009 N/A THR 138.A N ASP 123.A O no hydrogen 2.965 N/A THR 138.A OG1 THR 150.A OG1 no hydrogen 2.933 N/A VAL 139.A N GLN 149.A O no hydrogen 2.883 N/A HIS 140.A N GLU 121.A O no hydrogen 2.816 N/A ALA 141.A N MET 147.A O no hydrogen 2.850 N/A LYS 142.A NZ ASP 144.A OD2 no hydrogen 2.851 N/A THR 146.A N ASP 144.A OD1 no hydrogen 3.011 N/A THR 146.A OG1 ASP 144.A OD1 no hydrogen 2.611 N/A THR 146.A OG1 ASP 144.A OD2 no hydrogen 3.369 N/A GLN 149.A N VAL 139.A O no hydrogen 3.003 N/A GLN 149.A NE2 SER 191.A O no hydrogen 3.377 N/A THR 150.A OG1 ALA 137.A O no hydrogen 2.984 N/A THR 150.A OG1 THR 138.A OG1 no hydrogen 2.933 N/A GLN 151.A N ALA 137.A O no hydrogen 2.912 N/A GLN 151.A NE2 ASN 152.A O no hydrogen 2.882 N/A TYR 153.A N SER 135.A O no hydrogen 2.899 N/A TYR 153.A OH GLN 175.A OE1 no hydrogen 2.744 N/A ALA 158.A N ASP 156.A OD1 no hydrogen 3.112 N/A HIS 160.A N VAL 96.A O no hydrogen 3.060 N/A HIS 160.A ND1 ASP 176.A OD2 no hydrogen 2.717 N/A HIS 160.A NE2 ASP 156.A OD1 no hydrogen 2.723 N/A THR 161.A N ASP 176.A OD1 no hydrogen 2.950 N/A TRP 162.A N ALA 94.A O no hydrogen 2.877 N/A ARG 163.A N TRP 174.A O no hydrogen 2.937 N/A ARG 163.A NE GLU 93.A OE2 no hydrogen 2.951 N/A ARG 163.A NH2 GLU 93.A OE1 no hydrogen 3.029 N/A ARG 163.A NH2 GLU 93.A OE2 no hydrogen 3.393 N/A MET 164.A N TRP 92.A O no hydrogen 2.848 N/A THR 165.A N TYR 172.A O no hydrogen 2.813 N/A THR 165.A OG1 THR 91.A OG1 no hydrogen 3.295 N/A TRP 166.A N THR 90.A O no hydrogen 2.851 N/A LEU 167.A N GLY 170.A O no hydrogen 2.893 N/A SER 169.A OG TYR 172.A OH no hydrogen 2.730 N/A GLY 170.A N LEU 167.A O no hydrogen 3.143 N/A MET 171.A N VAL 187.A O no hydrogen 2.861 N/A TYR 172.A N THR 165.A O no hydrogen 2.966 N/A TYR 172.A OH SER 169.A OG no hydrogen 2.730 N/A PHE 173.A N PHE 185.A O no hydrogen 2.920 N/A TRP 174.A N ARG 163.A O no hydrogen 2.843 N/A TRP 174.A NE1 LYS 181.A O no hydrogen 2.851 N/A ASP 176.A N THR 161.A O no hydrogen 2.798 N/A LYS 181.A N GLU 178.A O no hydrogen 2.964 N/A LYS 181.A NZ GLN 175.A O no hydrogen 2.910 N/A PHE 184.A N PHE 173.A O no hydrogen 2.817 N/A VAL 187.A N MET 171.A O no hydrogen 2.852 N/A ALA 189.A N SER 169.A O no hydrogen 2.818 N/A SER 191.A N LEU 188.A O no hydrogen 2.936 N/A SER 191.A OG LEU 188.A O no hydrogen 2.723 N/A ASN 198.A N TRP 195.A O no hydrogen 3.173 N/A ASN 198.A ND2 PRO 168.A O no hydrogen 2.951 N/A ASP 199.A N PRO 196.A O no hydrogen 2.855 N/A TYR 202.A N ASP 199.A O no hydrogen 3.103 N/A TYR 202.A OH ARG 118.A O no hydrogen 2.737 N/A MET 204.A N GLY 86.A O no hydrogen 2.850 N/A VAL 205.A N LEU 112.A O no hydrogen 2.922 N/A VAL 207.A N TRP 110.A O no hydrogen 2.765 N/A PHE 208.A N ILE 80.A O no hydrogen 3.120 N/A ASN 209.A N ALA 108.A O no hydrogen 3.172 N/A ASN 209.A ND2 TYR 44.A OH no hydrogen 3.030 N/A ILE 210.A N ALA 78.A O no hydrogen 3.195 N/A ALA 211.A N TRP 106.A O no hydrogen 2.984 N/A GLY 213.A N GLY 104.A O no hydrogen 2.847 N/A GLY 214.A N ASN 40.A O no hydrogen 3.073 N/A SER 215.A N ASP 36.A OD1 no hydrogen 2.835 N/A SER 215.A OG ASP 36.A OD1 no hydrogen 3.302 N/A SER 215.A OG ASP 36.A OD2 no hydrogen 2.792 N/A GLY 217.A N GLY 213.A O no hydrogen 3.030 N/A ARG 218.A N GLY 214.A O no hydrogen 2.844 N/A ARG 218.A NH1 ASP 132.A OD2 no hydrogen 2.885 N/A ARG 218.A NH2 ASP 132.A OD2 no hydrogen 3.023 N/A ALA 221.A N GLU 219.A OE2 no hydrogen 3.023 N/A GLY 223.A N PRO 220.A O no hydrogen 2.840 N/A SER 224.A N.A THR 102.A OG1 no hydrogen 2.785 N/A SER 224.A N.B THR 102.A OG1 no hydrogen 2.795 N/A TYR 225.A OH ASP 103.A O no hydrogen 2.794 N/A ALA 227.A N ALA 63.A O no hydrogen 2.925 N/A ASP 228.A N ASN 99.A O no hydrogen 3.212 N/A MET 229.A N ILE 61.A O no hydrogen 2.819 N/A ILE 230.A N LYS 97.A O no hydrogen 2.891 N/A ILE 231.A N LEU 59.A O no hydrogen 2.751 N/A ASP 232.A N ARG 95.A O no hydrogen 2.838 N/A ILE 234.A N ASP 5.A O no hydrogen 2.996 N/A ARG 235.A N GLU 93.A O no hydrogen 2.812 N/A ARG 235.A NE GLU 6.A OE2 no hydrogen 2.869 N/A ARG 235.A NH2 GLU 6.A OE1 no hydrogen 2.850 N/A ARG 235.A NH2 GLU 6.A OE2 no hydrogen 3.562 N/A VAL 236.A N PHE 3.A O no hydrogen 2.813 N/A PHE 237.A N THR 91.A O no hydrogen 3.073 N/A