Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ksa_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N SER 22.A O no hydrogen 3.052 N/A GLN 4.A NE2 TYR 87.A O no hydrogen 2.957 N/A THR 5.A N ARG 20.A O no hydrogen 3.142 N/A HIS 8.A NE2 GLY 214.A O no hydrogen 3.052 N/A LEU 9.A N ARG 108.A O no hydrogen 2.817 N/A THR 11.A N THR 110.A O no hydrogen 2.939 N/A THR 13.A N THR 112.A O no hydrogen 2.890 N/A THR 13.A OG1 LEU 79.A O no hydrogen 3.007 N/A GLY 14.A N LEU 79.A O no hydrogen 2.730 N/A GLN 15.A N ALA 12.A O no hydrogen 3.352 N/A VAL 17.A N LEU 76.A O no hydrogen 2.991 N/A THR 18.A OG1 ASN 75.A OD1 no hydrogen 2.852 N/A LEU 19.A N LEU 74.A O no hydrogen 2.977 N/A ARG 20.A N THR 5.A O no hydrogen 2.848 N/A CYS 21.A N SER 72.A O no hydrogen 2.921 N/A CYS 21.A SG THR 3.A O no hydrogen 3.925 N/A SER 22.A N THR 3.A O no hydrogen 2.864 N/A ARG 24.A N SER 91.A OG no hydrogen 3.136 N/A ARG 24.A NE ASP 27.A OD2 no hydrogen 2.921 N/A ARG 24.A NH2 ASP 27.A OD1 no hydrogen 3.011 N/A ASP 27.A N ARG 24.A O no hydrogen 3.075 N/A LEU 28.A N VAL 93.A O no hydrogen 3.360 N/A SER 29.A N SER 92.A O no hydrogen 3.238 N/A SER 29.A OG TYR 47.A O no hydrogen 2.958 N/A VAL 30.A N TYR 47.A O no hydrogen 2.953 N/A TYR 31.A N ALA 90.A O no hydrogen 2.778 N/A TYR 31.A OH SER 92.A OG no hydrogen 3.120 N/A TRP 32.A N ILE 45.A O no hydrogen 2.938 N/A TRP 32.A NE1 SER 72.A OG no hydrogen 2.916 N/A TYR 33.A N PHE 88.A O no hydrogen 2.760 N/A GLN 34.A N GLN 42.A O no hydrogen 2.929 N/A GLN 34.A NE2 TYR 87.A OH no hydrogen 2.804 N/A GLN 35.A N LEU 86.A O no hydrogen 2.755 N/A GLN 42.A N GLN 34.A O no hydrogen 2.811 N/A GLN 42.A NE2 GLN 39.A O no hydrogen 2.798 N/A LEU 44.A N TRP 32.A O no hydrogen 2.815 N/A GLN 46.A N ALA 54.A O no hydrogen 2.772 N/A GLN 46.A NE2 SER 29.A OG no hydrogen 2.662 N/A GLN 46.A NE2 GLY 95.A O no hydrogen 2.810 N/A TYR 47.A N VAL 30.A O no hydrogen 2.794 N/A TYR 48.A N GLU 51.A O no hydrogen 2.906 N/A ASN 49.A N LEU 28.A O no hydrogen 3.048 N/A GLY 50.A N GLN 66.A OE1 no hydrogen 2.877 N/A GLU 51.A N TYR 48.A O no hydrogen 3.174 N/A ARG 53.A N GLN 46.A O no hydrogen 2.730 N/A ARG 53.A NH1 GLN 46.A OE1 no hydrogen 3.007 N/A ALA 54.A N GLN 46.A O no hydrogen 3.219 N/A GLY 56.A N LEU 44.A O no hydrogen 2.807 N/A ASN 57.A N PHE 43.A O no hydrogen 3.129 N/A ARG 61.A NH1 ASP 83.A OD1 no hydrogen 2.796 N/A ARG 61.A NH1 ASP 83.A OD2 no hydrogen 3.416 N/A ARG 61.A NH2 SER 77.A O no hydrogen 3.448 N/A ARG 61.A NH2 ASP 83.A OD2 no hydrogen 2.788 N/A PHE 62.A N LEU 59.A O no hydrogen 3.012 N/A SER 63.A N ASN 75.A O no hydrogen 2.895 N/A GLN 65.A N GLU 73.A O no hydrogen 3.148 N/A GLN 66.A NE2 LEU 28.A O no hydrogen 3.316 N/A GLN 66.A NE2 LEU 70.A O no hydrogen 2.980 N/A PHE 67.A N HIS 71.A O no hydrogen 2.888 N/A LEU 70.A N PHE 67.A O no hydrogen 2.857 N/A HIS 71.A ND1 ASP 69.A OD1 no hydrogen 2.707 N/A SER 72.A N CYS 21.A O no hydrogen 2.964 N/A SER 72.A OG GLN 65.A O no hydrogen 2.789 N/A GLU 73.A N GLN 65.A O no hydrogen 3.051 N/A LEU 74.A N LEU 19.A O no hydrogen 2.853 N/A ASN 75.A N SER 63.A O no hydrogen 2.715 N/A ASN 75.A ND2 SER 63.A OG no hydrogen 3.423 N/A LEU 76.A N VAL 17.A O no hydrogen 2.991 N/A SER 77.A N ARG 61.A O no hydrogen 3.042 N/A LEU 79.A N GLN 15.A O no hydrogen 2.995 N/A GLU 80.A N ASP 83.A OD2 no hydrogen 2.853 N/A ASP 83.A N GLU 80.A O no hydrogen 3.060 N/A SER 84.A N LEU 81.A O no hydrogen 3.252 N/A SER 84.A OG LEU 81.A O no hydrogen 3.133 N/A ALA 85.A N LEU 109.A O no hydrogen 3.081 N/A LEU 86.A N GLN 35.A O no hydrogen 2.804 N/A TYR 87.A N THR 107.A O no hydrogen 2.900 N/A TYR 87.A OH ASP 83.A O no hydrogen 2.605 N/A PHE 88.A N TYR 33.A O no hydrogen 3.002 N/A CYS 89.A N GLN 4.A OE1 no hydrogen 3.010 N/A CYS 89.A SG TYR 31.A O no hydrogen 3.847 N/A CYS 89.A SG ALA 90.A O no hydrogen 4.023 N/A ALA 90.A N TYR 31.A O no hydrogen 2.846 N/A SER 91.A N TYR 102.A O no hydrogen 2.840 N/A SER 91.A OG ASP 27.A OD2 no hydrogen 2.684 N/A SER 92.A N SER 29.A O no hydrogen 3.318 N/A SER 92.A OG TYR 31.A OH no hydrogen 3.120 N/A SER 92.A OG ALA 94.A O no hydrogen 2.640 N/A THR 96.A OG1 SER 98.A OG no hydrogen 2.676 N/A SER 98.A N THR 96.A OG1 no hydrogen 3.352 N/A SER 98.A OG THR 96.A OG1 no hydrogen 2.676 N/A GLN 101.A NE2 TYR 33.A OH no hydrogen 2.599 N/A TYR 102.A N SER 91.A O no hydrogen 2.856 N/A GLY 104.A N CYS 89.A O no hydrogen 2.721 N/A GLY 106.A N GLN 4.A OE1 no hydrogen 2.871 N/A THR 107.A N TYR 87.A O no hydrogen 2.911 N/A THR 107.A OG1 PRO 6.A O no hydrogen 2.712 N/A ARG 108.A N LYS 7.A O no hydrogen 3.032 N/A LEU 109.A N ALA 85.A O no hydrogen 3.047 N/A THR 110.A N LEU 9.A O no hydrogen 2.789 N/A THR 110.A OG1 HIS 152.A NE2.A no hydrogen 2.766 N/A VAL 111.A N SER 84.A OG no hydrogen 2.767 N/A THR 112.A N THR 11.A O no hydrogen 2.952 N/A THR 112.A OG1 ASP 114.A O no hydrogen 3.492 N/A LYS 116.A N ASP 114.A OD1 no hydrogen 2.886 N/A ASN 117.A N ASP 114.A O no hydrogen 3.236 N/A ASN 117.A ND2 THR 112.A OG1 no hydrogen 2.855 N/A VAL 118.A N LEU 115.A O no hydrogen 3.188 N/A PHE 119.A N PHE 149.A O no hydrogen 2.878 N/A GLU 122.A N THR 146.A O no hydrogen 2.891 N/A ALA 124.A N LEU 144.A O no hydrogen 2.987 N/A PHE 126.A N VAL 142.A O no hydrogen 2.761 N/A GLU 132.A N SER 129.A OG no hydrogen 3.135 N/A ILE 133.A N SER 129.A O no hydrogen 3.134 N/A SER 134.A N GLU 130.A O no hydrogen 3.006 N/A SER 134.A OG GLU 130.A O no hydrogen 3.040 N/A HIS 135.A N ALA 131.A O no hydrogen 3.055 N/A THR 136.A N GLU 132.A O no hydrogen 2.819 N/A THR 136.A OG1 GLU 132.A O no hydrogen 2.694 N/A GLN 137.A N ILE 133.A O no hydrogen 2.849 N/A LYS 138.A N THR 136.A OG1 no hydrogen 3.241 N/A ALA 139.A N VAL 194.A O no hydrogen 2.804 N/A THR 140.A N GLU 132.A OE1 no hydrogen 2.790 N/A THR 140.A OG1 GLU 132.A OE1 no hydrogen 3.359 N/A THR 140.A OG1 GLU 132.A OE2 no hydrogen 2.616 N/A LEU 141.A N LEU 192.A O no hydrogen 2.785 N/A VAL 142.A N PHE 126.A O no hydrogen 3.157 N/A CYS 143.A N SER 190.A O no hydrogen 2.878 N/A CYS 143.A SG ALA 124.A O no hydrogen 4.003 N/A LEU 144.A N ALA 124.A O no hydrogen 2.902 N/A ALA 145.A N LEU 188.A O no hydrogen 2.842 N/A THR 146.A N GLU 122.A O no hydrogen 2.838 N/A GLY 147.A N GLU 177.A OE2 no hydrogen 2.871 N/A PHE 148.A N TYR 186.A O no hydrogen 3.305 N/A PHE 149.A N PHE 119.A O no hydrogen 2.931 N/A GLU 154.A N GLN 211.A O no hydrogen 2.929 N/A SER 156.A N GLN 209.A O no hydrogen 2.874 N/A TRP 157.A NE1 SER 190.A OG no hydrogen 2.817 N/A TRP 158.A N ARG 207.A O no hydrogen 2.796 N/A TRP 158.A NE1 SER 156.A OG no hydrogen 2.944 N/A VAL 159.A N LYS 162.A O no hydrogen 2.839 N/A ASN 160.A N HIS 205.A O no hydrogen 2.936 N/A ASN 160.A ND2 ASN 204.A OD1 no hydrogen 3.141 N/A LYS 162.A N VAL 159.A O no hydrogen 3.138 N/A VAL 164.A N TRP 157.A O no hydrogen 2.927 N/A VAL 168.A N HIS 165.A O no hydrogen 3.350 N/A CYS 169.A N ARG 191.A O no hydrogen 3.060 N/A THR 170.A OG1 SER 190.A OG no hydrogen 2.769 N/A ASP 171.A N SER 189.A O no hydrogen 2.990 N/A LEU 175.A N ALA 187.A O no hydrogen 2.762 N/A GLU 177.A N ARG 185.A O no hydrogen 2.972 N/A GLN 178.A N SER 184.A OG no hydrogen 2.911 N/A LEU 181.A N GLN 178.A O no hydrogen 3.011 N/A SER 184.A OG GLN 178.A O no hydrogen 3.133 N/A SER 184.A OG ARG 185.A O no hydrogen 2.978 N/A ARG 185.A NE GLY 147.A O no hydrogen 2.775 N/A ARG 185.A NH2 GLY 147.A O no hydrogen 3.130 N/A TYR 186.A N PHE 148.A O no hydrogen 2.770 N/A ALA 187.A N LEU 175.A O no hydrogen 2.824 N/A LEU 188.A N ALA 145.A O no hydrogen 2.809 N/A SER 189.A N ASP 171.A OD2 no hydrogen 2.816 N/A SER 189.A OG ASP 171.A OD1 no hydrogen 3.058 N/A SER 189.A OG ASP 171.A OD2 no hydrogen 2.782 N/A SER 190.A N CYS 143.A O no hydrogen 2.996 N/A SER 190.A OG CYS 169.A O no hydrogen 3.458 N/A SER 190.A OG THR 170.A OG1 no hydrogen 2.769 N/A ARG 191.A N CYS 169.A O no hydrogen 2.858 N/A ARG 191.A NH2 ASP 171.A OD1 no hydrogen 2.875 N/A LEU 192.A N LEU 141.A O no hydrogen 2.963 N/A ARG 193.A N GLY 167.A O no hydrogen 2.798 N/A ARG 193.A NE GLU 132.A OE2 no hydrogen 2.998 N/A ARG 193.A NH1 GLU 132.A OE2 no hydrogen 2.897 N/A VAL 194.A N ALA 139.A O no hydrogen 2.927 N/A SER 195.A OG THR 197.A OG1 no hydrogen 2.801 N/A ALA 196.A N GLN 137.A O no hydrogen 2.928 N/A THR 197.A OG1 SER 195.A OG no hydrogen 2.801 N/A PHE 198.A N SER 195.A OG no hydrogen 3.047 N/A TRP 199.A N SER 195.A O no hydrogen 3.141 N/A GLN 200.A N ALA 196.A O no hydrogen 2.857 N/A ASN 201.A N PHE 198.A O no hydrogen 3.256 N/A ARG 203.A N ASN 201.A OD1 no hydrogen 3.021 N/A ASN 204.A N ASN 201.A O no hydrogen 3.113 N/A ASN 204.A ND2 PHE 198.A O no hydrogen 2.766 N/A HIS 205.A N ASN 160.A OD1 no hydrogen 2.882 N/A HIS 205.A NE2 GLU 236.A OE2 no hydrogen 2.995 N/A PHE 206.A N ALA 237.A O no hydrogen 2.759 N/A ARG 207.A N TRP 158.A O no hydrogen 2.805 N/A ARG 207.A NH2 GLN 209.A OE1 no hydrogen 2.804 N/A ARG 207.A NH2 SER 234.A OG no hydrogen 3.245 N/A CYS 208.A N ALA 235.A O no hydrogen 2.891 N/A GLN 209.A N SER 156.A O no hydrogen 2.749 N/A VAL 210.A N VAL 233.A O no hydrogen 2.777 N/A GLN 211.A N GLU 154.A O no hydrogen 2.854 N/A PHE 212.A N GLN 231.A O no hydrogen 2.746 N/A TYR 213.A N HIS 152.A O no hydrogen 3.308 N/A TYR 213.A OH GLU 154.A OE2 no hydrogen 2.706 N/A GLY 214.A N THR 230.A OG1 no hydrogen 3.158 N/A LEU 215.A N PRO 228.A O no hydrogen 2.924 N/A GLU 217.A N GLU 217.A OE2 no hydrogen 2.815 N/A ASP 219.A N SER 216.A O no hydrogen 3.235 N/A TRP 221.A NE1 ARG 225.A O no hydrogen 3.026 N/A ARG 225.A NH1 VAL 118.A O no hydrogen 3.149 N/A ARG 225.A NH2 LYS 116.A O no hydrogen 2.756 N/A ARG 225.A NH2 VAL 118.A O no hydrogen 2.796 N/A LYS 227.A NZ GLU 217.A O no hydrogen 2.985 N/A VAL 229.A N LYS 227.A O no hydrogen 2.795 N/A GLN 231.A N PHE 212.A O no hydrogen 3.086 N/A GLN 231.A NE2 VAL 229.A O no hydrogen 2.943 N/A VAL 233.A N VAL 210.A O no hydrogen 2.850 N/A ALA 235.A N CYS 208.A O no hydrogen 3.102 N/A ALA 237.A N PHE 206.A O no hydrogen 2.851 N/A GLY 239.A N ASN 204.A O no hydrogen 2.823 N/A ARG 240.A N TRP 199.A O no hydrogen 2.889 N/A ARG 240.A NH1 GLU 127.A OE1 no hydrogen 2.811 N/A