Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u1s_L.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N SER 25.A OG no hydrogen 2.964 N/A THR 4.A N LYS 23.A O no hydrogen 2.905 N/A GLN 5.A NE2 TYR 90.A O no hydrogen 2.877 N/A SER 6.A N SER 21.A O no hydrogen 2.990 N/A LEU 10.A N LYS 107.A O no hydrogen 2.685 N/A VAL 12.A N GLU 109.A O no hydrogen 2.835 N/A GLY 15.A N VAL 82.A O no hydrogen 2.913 N/A GLU 16.A N THR 13.A O no hydrogen 2.910 N/A ALA 18.A N ILE 79.A O no hydrogen 2.611 N/A LEU 20.A N LEU 77.A O no hydrogen 2.843 N/A SER 21.A N SER 6.A O no hydrogen 2.751 N/A CYS 22.A N PHE 75.A O no hydrogen 2.984 N/A LYS 23.A N THR 4.A O no hydrogen 2.955 N/A LYS 23.A NZ ASP 74.A OD2 no hydrogen 3.165 N/A CYS 24.A N THR 73.A O no hydrogen 2.816 N/A CYS 24.A SG VAL 2.A O no hydrogen 3.540 N/A CYS 24.A SG HIS 26.A O no hydrogen 3.121 N/A SER 25.A N VAL 2.A O no hydrogen 2.972 N/A SER 25.A OG HIS 26.A ND1 no hydrogen 2.687 N/A HIS 26.A ND1 SER 25.A OG no hydrogen 2.687 N/A THR 32.A N HIS 30D.A ND1 no hydrogen 3.007 N/A THR 32.A OG1 HIS 30D.A ND1 no hydrogen 2.937 N/A GLY 33.A N HIS 30D.A O no hydrogen 2.984 N/A TYR 36.A N LEU 28B.A O no hydrogen 3.026 N/A LEU 37.A N ASN 35.A O no hydrogen 3.010 N/A ALA 38.A N MET 93.A O no hydrogen 2.937 N/A TRP 39.A N ILE 52.A O no hydrogen 2.871 N/A TYR 40.A N TYR 91.A O no hydrogen 2.741 N/A LEU 41.A N ARG 49.A O no hydrogen 2.775 N/A GLN 42.A N THR 89.A O no hydrogen 2.811 N/A GLN 42.A NE2 GLN 46.A O no hydrogen 2.864 N/A ARG 43.A NE ASP 85.A O no hydrogen 2.739 N/A ARG 43.A NH1 GLN 46.A OE1 no hydrogen 3.031 N/A ARG 43.A NH2 ASP 85.A O no hydrogen 3.562 N/A GLN 46.A N ARG 43.A O no hydrogen 3.123 N/A ARG 49.A N LEU 41.A O no hydrogen 2.675 N/A ARG 49.A NH1 THR 47.A O no hydrogen 3.018 N/A LEU 51.A N TRP 39.A O no hydrogen 2.730 N/A ILE 52.A N TRP 39.A O no hydrogen 3.376 N/A HIS 53.A N HIS 57.A O no hydrogen 2.797 N/A ALA 55.A N LEU 37.A O no hydrogen 2.746 N/A THR 56.A N LEU 54.A O no hydrogen 2.887 N/A HIS 57.A N HIS 53.A O no hydrogen 3.083 N/A ARG 58.A NH1 VAL 62.A O no hydrogen 2.910 N/A ALA 59.A N LEU 51.A O no hydrogen 2.773 N/A VAL 62.A N ALA 59.A O no hydrogen 3.105 N/A ARG 65.A NH1 ASP 86.A OD1 no hydrogen 3.331 N/A ARG 65.A NH1 ASP 86.A OD2 no hydrogen 2.471 N/A ARG 65.A NH2 ASP 86.A OD1 no hydrogen 2.705 N/A PHE 66.A N PRO 63.A O no hydrogen 3.237 N/A SER 67.A N LYS 78.A O no hydrogen 2.985 N/A SER 69.A N THR 76.A O no hydrogen 2.991 N/A GLY 72.A N ASN 35.A OD1 no hydrogen 2.966 N/A THR 73.A OG1 ASP 74.A OD1 no hydrogen 2.793 N/A PHE 75.A N CYS 22.A O no hydrogen 2.955 N/A THR 76.A N SER 69.A O no hydrogen 2.870 N/A LEU 77.A N LEU 20.A O no hydrogen 3.017 N/A LYS 78.A N SER 67.A O no hydrogen 2.914 N/A ILE 79.A N ALA 18.A O no hydrogen 2.800 N/A SER 80.A N ARG 65.A O no hydrogen 2.966 N/A VAL 82.A N GLU 16.A O no hydrogen 3.060 N/A GLU 83.A N ASP 86.A OD2 no hydrogen 3.063 N/A ASP 86.A N GLU 83.A O no hydrogen 2.831 N/A VAL 87.A N SER 84.A O no hydrogen 3.156 N/A GLY 88.A N VAL 108.A O no hydrogen 3.125 N/A THR 89.A N GLN 42.A O no hydrogen 2.927 N/A TYR 90.A N THR 106.A O no hydrogen 2.847 N/A TYR 90.A OH ASP 86.A O no hydrogen 2.634 N/A TYR 91.A N TYR 40.A O no hydrogen 2.866 N/A CYS 92.A N GLN 5.A OE1 no hydrogen 3.196 N/A MET 93.A N ALA 38.A O no hydrogen 2.786 N/A GLN 94.A N THR 101.A O no hydrogen 3.071 N/A GLN 94.A NE2 HIS 97.A O no hydrogen 2.896 N/A GLN 94.A NE2 THR 101.A OG1 no hydrogen 3.159 N/A GLY 95.A N TYR 36.A O no hydrogen 2.799 N/A LEU 96.A N GLN 94.A OE1 no hydrogen 3.069 N/A HIS 97.A N GLN 94.A OE1 no hydrogen 2.876 N/A HIS 97.A NE2 SER 27A.A O no hydrogen 2.851 N/A GLY 103.A N CYS 92.A O no hydrogen 2.832 N/A GLY 105.A N GLN 5.A OE1 no hydrogen 3.003 N/A THR 106.A N TYR 90.A O no hydrogen 2.852 N/A THR 106.A OG1 PRO 7.A O no hydrogen 2.589 N/A LYS 107.A N LEU 8.A O no hydrogen 2.878 N/A VAL 108.A N GLY 88.A O no hydrogen 2.876 N/A GLU 109.A N LEU 10.A O no hydrogen 3.105 N/A ILE 110.A N GLN 170.A OE1 no hydrogen 2.862 N/A LYS 111.A N VAL 12.A O no hydrogen 2.797 N/A ARG 112.A NE THR 113.A O no hydrogen 2.707 N/A ARG 112.A NH1 ASP 174.A O no hydrogen 2.878 N/A ARG 112.A NH2 THR 113.A O no hydrogen 3.446 N/A ALA 115.A N TYR 144.A O no hydrogen 2.761 N/A SER 118.A N ASN 141.A O no hydrogen 3.150 N/A PHE 120.A N LEU 139.A O no hydrogen 2.922 N/A PHE 122.A N VAL 137.A O no hydrogen 2.781 N/A GLN 128.A N SER 125.A OG no hydrogen 2.939 N/A LEU 129.A N SER 125.A O no hydrogen 3.125 N/A LYS 130.A N ASP 126.A O no hydrogen 3.071 N/A SER 131.A N GLN 128.A O no hydrogen 2.932 N/A SER 131.A OG GLN 128.A O no hydrogen 2.691 N/A GLY 132.A N LEU 129.A O no hydrogen 2.789 N/A ALA 134.A N LEU 185.A O no hydrogen 2.738 N/A SER 135.A OG GLN 128.A OE1 no hydrogen 2.724 N/A VAL 136.A N LEU 183.A O no hydrogen 2.848 N/A VAL 137.A N PHE 122.A O no hydrogen 3.113 N/A CYS 138.A N SER 181.A O no hydrogen 2.855 N/A CYS 138.A SG PHE 120.A O no hydrogen 3.900 N/A LEU 139.A N PHE 120.A O no hydrogen 2.849 N/A LEU 140.A N LEU 179.A O no hydrogen 2.696 N/A ASN 141.A N SER 118.A O no hydrogen 2.805 N/A ASN 142.A N SER 178.A OG no hydrogen 3.138 N/A PHE 143.A N TYR 177.A O no hydrogen 2.785 N/A TYR 144.A N ALA 115.A O no hydrogen 2.895 N/A TYR 144.A OH GLU 109.A OE1 no hydrogen 2.457 N/A LYS 149.A N THR 201.A O no hydrogen 2.974 N/A GLN 151.A N GLU 199.A O no hydrogen 2.719 N/A GLN 151.A NE2 TRP 152.A O no hydrogen 3.002 N/A GLN 151.A NE2 GLN 159.A O no hydrogen 3.072 N/A TRP 152.A NE1 SER 181.A OG no hydrogen 2.723 N/A LYS 153.A N ALA 197.A O no hydrogen 2.796 N/A LYS 153.A NZ GLU 199.A OE2 no hydrogen 2.775 N/A VAL 154.A N ALA 157.A O no hydrogen 2.961 N/A ASP 155.A N VAL 195.A O no hydrogen 2.786 N/A ALA 157.A N VAL 154.A O no hydrogen 2.825 N/A GLN 159.A N TRP 152.A O no hydrogen 3.047 N/A GLN 159.A NE2 ASN 162.A OD1 no hydrogen 2.939 N/A GLN 164.A N THR 182.A O no hydrogen 3.048 N/A SER 166.A N SER 180.A O no hydrogen 3.027 N/A THR 168.A N SER 178.A O no hydrogen 2.901 N/A THR 168.A OG1 GLU 169.A O no hydrogen 3.405 N/A THR 168.A OG1 SER 178.A O no hydrogen 3.213 N/A GLN 170.A NE2 ILE 110.A O no hydrogen 2.802 N/A GLN 170.A NE2 SER 175.A O no hydrogen 2.946 N/A ASP 171.A N THR 176.A O no hydrogen 2.827 N/A LYS 173.A N ASP 171.A OD2 no hydrogen 2.830 N/A ASP 174.A N ASP 171.A OD2 no hydrogen 3.004 N/A SER 175.A N ASP 171.A O no hydrogen 2.899 N/A THR 176.A N ASP 174.A OD1 no hydrogen 2.950 N/A THR 176.A OG1 ASP 174.A OD1 no hydrogen 2.563 N/A TYR 177.A N PHE 143.A O no hydrogen 2.861 N/A TYR 177.A OH GLU 109.A OE2 no hydrogen 2.499 N/A SER 178.A N THR 168.A OG1 no hydrogen 3.033 N/A SER 178.A OG ASN 141.A OD1 no hydrogen 2.847 N/A LEU 179.A N LEU 140.A O no hydrogen 2.835 N/A SER 180.A N SER 166.A O no hydrogen 2.996 N/A SER 181.A N CYS 138.A O no hydrogen 2.806 N/A THR 182.A N GLN 164.A O no hydrogen 2.858 N/A LEU 183.A N VAL 136.A O no hydrogen 2.853 N/A THR 184.A N ASN 162.A O no hydrogen 2.840 N/A LEU 185.A N ALA 134.A O no hydrogen 2.820 N/A LYS 187.A N GLY 132.A O no hydrogen 3.103 N/A ASP 189.A N SER 186.A OG no hydrogen 3.072 N/A TYR 190.A N SER 186.A O no hydrogen 2.953 N/A GLU 191.A N LYS 187.A O no hydrogen 2.910 N/A LYS 192.A N ASP 189.A O no hydrogen 3.133 N/A HIS 193.A ND1 ASP 155.A OD2 no hydrogen 3.043 N/A LYS 194.A N ASP 155.A OD1 no hydrogen 3.103 N/A LYS 194.A N ASP 155.A OD2 no hydrogen 3.383 N/A VAL 195.A N ASP 155.A OD1 no hydrogen 2.820 N/A TYR 196.A N PHE 213.A O no hydrogen 2.966 N/A TYR 196.A OH TYR 190.A O no hydrogen 2.625 N/A ALA 197.A N LYS 153.A O no hydrogen 2.969 N/A CYS 198.A N LYS 211.A O no hydrogen 2.674 N/A GLU 199.A N GLN 151.A O no hydrogen 2.768 N/A VAL 200.A N VAL 209.A O no hydrogen 2.742 N/A THR 201.A N LYS 149.A O no hydrogen 2.831 N/A HIS 202.A NE2 PRO 145.A O no hydrogen 2.796 N/A GLY 204.A N HIS 202.A ND1 no hydrogen 3.007 N/A LEU 205.A N HIS 202.A O no hydrogen 2.928 N/A VAL 209.A N VAL 200.A O no hydrogen 3.026 N/A LYS 211.A N CYS 198.A O no hydrogen 2.841 N/A LYS 211.A NZ VAL 119.A O no hydrogen 3.433 N/A PHE 213.A N TYR 196.A O no hydrogen 2.910 N/A ARG 215.A N LYS 194.A O no hydrogen 2.780 N/A ARG 215.A NH1 HIS 193.A O no hydrogen 2.777 N/A LEU 28B.A N GLY 72.A O no hydrogen 2.750 N/A GLN 29C.A N SER 27A.A OG no hydrogen 3.100 N/A HIS 30D.A N ALA 34.A O no hydrogen 2.883 N/A HIS 30D.A ND1 THR 32.A OG1 no hydrogen 2.937 N/A