Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xpi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N ALA 2.A O no hydrogen 3.114 N/A VAL 6.A N LEU 3.A O no hydrogen 3.171 N/A ILE 7.A N ALA 4.A O no hydrogen 3.345 N/A LEU 8.A N VAL 16.A O no hydrogen 2.806 N/A TYR 9.A N VAL 16.A O no hydrogen 3.127 N/A TYR 9.A OH ASP 11.A OD2 no hydrogen 2.615 N/A ASP 11.A N ILE 14.A O no hydrogen 3.184 N/A HIS 13.A N ASP 11.A OD1 no hydrogen 2.735 N/A ILE 14.A N ASP 11.A OD1 no hydrogen 3.172 N/A LEU 15.A N VAL 63.A O no hydrogen 2.823 N/A VAL 16.A N TYR 9.A O no hydrogen 2.820 N/A LEU 17.A N LEU 61.A O no hydrogen 2.922 N/A ASN 18.A N VAL 6.A O no hydrogen 2.760 N/A ASN 18.A ND2 PRO 213.A O no hydrogen 3.221 N/A LYS 19.A N GLY 59.A O no hydrogen 2.796 N/A LYS 19.A NZ PRO 20.A O no hydrogen 2.682 N/A LYS 19.A NZ THR 23.A O no hydrogen 2.712 N/A LYS 19.A NZ ARG 55.A O no hydrogen 2.843 N/A LYS 19.A NZ THR 57.A O no hydrogen 2.608 N/A SER 21.A OG ASP 56.A O no hydrogen 2.607 N/A GLY 22.A N ARG 55.A O no hydrogen 2.952 N/A THR 23.A N PRO 20.A O no hydrogen 3.396 N/A HIS 26.A ND1 GLY 27.A O no hydrogen 2.652 N/A GLY 27.A N GLU 37.A OE2 no hydrogen 2.577 N/A GLY 28.A N SER 32.A OG no hydrogen 2.786 N/A SER 32.A N GLY 30.A O no hydrogen 2.936 N/A GLY 34.A N GLU 37.A OE1 no hydrogen 2.680 N/A VAL 35.A N ALA 24.A O no hydrogen 2.916 N/A ILE 36.A N VAL 25.A O no hydrogen 2.937 N/A GLU 37.A N GLU 37.A OE1 no hydrogen 2.806 N/A GLY 38.A N GLY 34.A O no hydrogen 3.046 N/A LEU 39.A N VAL 35.A O no hydrogen 3.074 N/A ARG 40.A N ILE 36.A O no hydrogen 2.980 N/A ARG 40.A NH2 LEU 47.A O no hydrogen 2.832 N/A ALA 41.A N GLU 37.A O no hydrogen 3.010 N/A LEU 42.A N LEU 39.A O no hydrogen 3.221 N/A ARG 43.A N ARG 40.A O no hydrogen 3.028 N/A GLU 48.A N ALA 64.A O no hydrogen 2.954 N/A VAL 50.A N LEU 62.A O no hydrogen 2.981 N/A ARG 52.A NH1 HIS 26.A NE2 no hydrogen 3.038 N/A ARG 55.A NH1 GLU 114.A OE2 no hydrogen 3.095 N/A THR 57.A N ASP 54.A O no hydrogen 3.155 N/A THR 57.A N ASP 54.A OD1 no hydrogen 3.058 N/A THR 57.A OG1 ASP 54.A OD1 no hydrogen 2.631 N/A SER 58.A N LEU 192.A O no hydrogen 3.306 N/A SER 58.A OG HIS 193.A ND1 no hydrogen 2.735 N/A GLY 59.A N LYS 19.A O no hydrogen 2.815 N/A VAL 60.A N ALA 194.A O no hydrogen 2.863 N/A LEU 61.A N LEU 17.A O no hydrogen 2.768 N/A LEU 62.A N HIS 51.A NE2 no hydrogen 3.005 N/A VAL 63.A N LEU 15.A O no hydrogen 2.760 N/A ALA 64.A N GLU 48.A O no hydrogen 2.702 N/A LYS 65.A N HIS 13.A O no hydrogen 2.847 N/A LYS 65.A NZ GLU 10.A OE2 no hydrogen 2.667 N/A LYS 65.A NZ ASP 11.A O no hydrogen 2.831 N/A LEU 70.A N LYS 66.A O no hydrogen 3.108 N/A ARG 71.A N ARG 67.A O no hydrogen 2.849 N/A SER 72.A N SER 68.A O no hydrogen 3.013 N/A LEU 73.A N ALA 69.A O no hydrogen 2.879 N/A HIS 74.A N LEU 70.A O no hydrogen 2.804 N/A GLU 75.A N ARG 71.A O no hydrogen 3.275 N/A GLN 76.A N SER 72.A O no hydrogen 2.993 N/A GLN 76.A NE2 SER 72.A OG no hydrogen 3.019 N/A GLN 76.A NE2 THR 200.A O no hydrogen 2.900 N/A LEU 77.A N LEU 73.A O no hydrogen 3.056 N/A ARG 78.A N HIS 74.A O no hydrogen 2.958 N/A GLU 79.A N GLU 75.A O no hydrogen 2.895 N/A LYS 80.A N LEU 77.A O no hydrogen 3.199 N/A GLY 81.A N GLN 76.A O no hydrogen 2.659 N/A GLN 83.A N LYS 198.A O no hydrogen 3.031 N/A GLN 83.A NE2 ASP 85.A OD2 no hydrogen 3.236 N/A LYS 84.A NZ VAL 60.A O no hydrogen 2.588 N/A ASP 85.A N ALA 196.A O no hydrogen 2.906 N/A TYR 86.A N CYS 144.A O no hydrogen 2.887 N/A LEU 87.A N HIS 193.A O no hydrogen 2.673 N/A ALA 88.A N VAL 142.A O no hydrogen 3.005 N/A LEU 89.A N PHE 191.A O no hydrogen 3.094 N/A VAL 90.A N THR 140.A O no hydrogen 2.854 N/A ARG 91.A N PRO 164.A O no hydrogen 2.881 N/A ARG 91.A NH1 ASP 173.A OD2 no hydrogen 2.843 N/A ARG 91.A NH2 GLY 162.A O no hydrogen 2.770 N/A GLY 92.A N PHE 138.A O no hydrogen 3.026 N/A TRP 94.A N THR 140.A OG1 no hydrogen 3.038 N/A TRP 94.A NE1 VAL 98.A O no hydrogen 2.913 N/A VAL 98.A N GLN 95.A O no hydrogen 2.921 N/A VAL 101.A N THR 128.A O no hydrogen 2.929 N/A GLN 102.A NE2 SER 100.A OG no hydrogen 2.870 N/A GLN 102.A NE2 GLU 127.A OE2 no hydrogen 2.951 N/A LEU 105.A N LYS 124.A O no hydrogen 3.026 N/A LEU 106.A N ARG 118.A O no hydrogen 2.660 N/A ASN 108.A N ILE 116.A O no hydrogen 2.857 N/A LEU 110.A N GLU 114.A O no hydrogen 2.873 N/A GLY 113.A N LEU 110.A O no hydrogen 2.679 N/A GLU 114.A N SER 112.A OG no hydrogen 3.188 N/A ILE 116.A N ASN 108.A O no hydrogen 2.995 N/A VAL 117.A N TYR 171.A OH no hydrogen 2.773 N/A ARG 118.A N LEU 106.A O no hydrogen 2.714 N/A SER 120.A N PRO 104.A O no hydrogen 2.955 N/A GLU 122.A N SER 120.A OG no hydrogen 3.254 N/A GLY 123.A N SER 120.A O no hydrogen 2.701 N/A LYS 124.A N LEU 105.A O no hydrogen 2.949 N/A SER 126.A OG LYS 124.A O no hydrogen 2.698 N/A GLU 127.A N THR 148.A OG1 no hydrogen 2.912 N/A THR 128.A N VAL 101.A O no hydrogen 3.020 N/A THR 128.A OG1 HIS 157.A ND1 no hydrogen 2.734 N/A ARG 129.A N SER 145.A O no hydrogen 2.946 N/A PHE 130.A N LYS 99.A O no hydrogen 2.919 N/A LYS 131.A N ARG 143.A O no hydrogen 2.930 N/A GLU 133.A N LEU 141.A O no hydrogen 2.701 N/A GLU 134.A N LEU 141.A O no hydrogen 3.187 N/A ARG 135.A NH1 GLN 93.A OE1 no hydrogen 3.245 N/A ARG 135.A NH1 TRP 94.A O no hydrogen 2.795 N/A ARG 135.A NH2 TRP 94.A O no hydrogen 2.993 N/A ARG 135.A NH2 SER 96.A OG no hydrogen 3.261 N/A TYR 136.A N ALA 139.A O no hydrogen 2.926 N/A TYR 136.A OH GLU 134.A OE1 no hydrogen 2.602 N/A THR 140.A N VAL 90.A O no hydrogen 3.036 N/A THR 140.A OG1 GLY 92.A O no hydrogen 2.744 N/A THR 140.A OG1 GLN 93.A OE1 no hydrogen 3.280 N/A LEU 141.A N GLU 134.A O no hydrogen 2.849 N/A VAL 142.A N ALA 88.A O no hydrogen 3.037 N/A ARG 143.A N LYS 131.A O no hydrogen 2.790 N/A CYS 144.A N TYR 86.A O no hydrogen 2.886 N/A CYS 144.A SG VAL 142.A O no hydrogen 3.542 N/A SER 145.A N ARG 129.A O no hydrogen 2.757 N/A SER 145.A OG ASP 85.A OD1 no hydrogen 2.561 N/A VAL 147.A N GLU 127.A O no hydrogen 2.782 N/A THR 148.A OG1 GLN 153.A OE1 no hydrogen 2.661 N/A ARG 150.A N GLN 153.A OE1 no hydrogen 2.956 N/A ARG 150.A NE PRO 125.A O no hydrogen 2.934 N/A ARG 150.A NE SER 126.A OG no hydrogen 3.297 N/A ARG 150.A NH2 PRO 125.A O no hydrogen 2.942 N/A HIS 152.A ND1 TYR 171.A OH no hydrogen 2.707 N/A GLN 153.A N ARG 150.A O no hydrogen 3.213 N/A GLN 153.A NE2 THR 128.A OG1 no hydrogen 2.992 N/A GLN 153.A NE2 THR 148.A O no hydrogen 3.139 N/A ARG 155.A NE ASP 168.A OD2 no hydrogen 2.831 N/A ARG 155.A NH1 ASP 54.A OD2 no hydrogen 2.865 N/A ARG 155.A NH2 ASP 168.A OD1 no hydrogen 2.845 N/A VAL 156.A N HIS 152.A O no hydrogen 2.922 N/A HIS 157.A N GLN 153.A O no hydrogen 2.693 N/A HIS 157.A ND1 THR 128.A OG1 no hydrogen 2.734 N/A HIS 157.A NE2 ALA 103.A O no hydrogen 2.590 N/A THR 158.A N ILE 154.A O no hydrogen 2.927 N/A THR 158.A OG1 ILE 154.A O no hydrogen 2.727 N/A THR 158.A OG1 ARG 155.A O no hydrogen 3.029 N/A GLN 159.A N ARG 155.A O no hydrogen 3.349 N/A TYR 160.A N VAL 156.A O no hydrogen 2.877 N/A ALA 161.A N HIS 157.A O no hydrogen 2.993 N/A GLY 162.A N GLN 159.A O no hydrogen 2.792 N/A HIS 163.A N THR 158.A O no hydrogen 2.852 N/A HIS 163.A ND1 ARG 91.A O no hydrogen 2.708 N/A ALA 166.A N LEU 89.A O no hydrogen 2.893 N/A PHE 167.A N ASP 177.A OD1 no hydrogen 2.728 N/A ASP 168.A N ILE 165.A O no hydrogen 3.346 N/A ARG 170.A N ASP 168.A OD1 no hydrogen 3.118 N/A ARG 170.A NH1 GLU 114.A OE1 no hydrogen 3.465 N/A ARG 170.A NH1 ARG 115.A O no hydrogen 2.835 N/A ARG 170.A NH2 GLU 114.A OE1 no hydrogen 2.663 N/A TYR 171.A N ASP 168.A OD1 no hydrogen 2.849 N/A TYR 171.A OH HIS 152.A ND1 no hydrogen 2.707 N/A GLU 175.A N ASP 173.A OD1 no hydrogen 2.811 N/A ASP 177.A N ASP 173.A O no hydrogen 3.087 N/A ARG 178.A N ARG 174.A O no hydrogen 2.714 N/A ARG 178.A NE GLU 175.A OE1 no hydrogen 2.599 N/A GLN 179.A N GLU 175.A O no hydrogen 2.937 N/A LEU 180.A N PHE 176.A O no hydrogen 3.048 N/A THR 181.A N ASP 177.A O no hydrogen 3.031 N/A THR 181.A OG1 ASP 177.A O no hydrogen 3.069 N/A GLU 182.A N ARG 178.A O no hydrogen 2.983 N/A ALA 183.A N GLN 179.A O no hydrogen 3.040 N/A GLY 184.A N THR 181.A O no hydrogen 2.972 N/A THR 185.A N LEU 180.A O no hydrogen 3.246 N/A THR 185.A OG1 LEU 180.A O no hydrogen 2.744 N/A LEU 187.A N THR 185.A OG1 no hydrogen 3.102 N/A ARG 189.A NE LEU 190.A O no hydrogen 2.937 N/A ARG 189.A NH1 SER 58.A OG no hydrogen 3.089 N/A ARG 189.A NH1 ASP 215.A OD2 no hydrogen 2.817 N/A ARG 189.A NH2 SER 58.A OG no hydrogen 2.808 N/A ARG 189.A NH2 LEU 190.A O no hydrogen 3.099 N/A PHE 191.A N ALA 166.A O no hydrogen 3.008 N/A LEU 192.A N LEU 190.A O no hydrogen 3.018 N/A HIS 193.A N LEU 87.A O no hydrogen 3.039 N/A HIS 193.A ND1 SER 58.A OG no hydrogen 2.735 N/A HIS 193.A NE2 ALA 212.A O no hydrogen 2.739 N/A ALA 194.A N SER 58.A O no hydrogen 2.834 N/A ALA 195.A N ASP 85.A O no hydrogen 2.759 N/A ALA 196.A N ASP 85.A O no hydrogen 3.063 N/A LEU 197.A N ILE 210.A O no hydrogen 2.792 N/A LYS 198.A N GLN 83.A O no hydrogen 2.689 N/A PHE 199.A N MET 208.A O no hydrogen 3.062 N/A THR 200.A N GLN 76.A OE1 no hydrogen 2.765 N/A HIS 201.A N GLU 206.A O no hydrogen 2.773 N/A HIS 201.A NE2 ASP 11.A OD2 no hydrogen 2.548 N/A GLY 203.A N HIS 201.A ND1 no hydrogen 3.052 N/A THR 204.A N HIS 201.A ND1 no hydrogen 3.228 N/A GLY 205.A N HIS 201.A O no hydrogen 2.835 N/A GLU 206.A N THR 204.A OG1 no hydrogen 3.129 N/A MET 208.A N PHE 199.A O no hydrogen 2.892 N/A ILE 210.A N LEU 197.A O no hydrogen 2.863 N/A ALA 212.A N ALA 195.A O no hydrogen 2.947 N/A LEU 218.A N ASP 215.A OD1 no hydrogen 2.981 N/A LYS 219.A N ASP 215.A O no hydrogen 3.155 N/A ARG 220.A N GLU 216.A O no hydrogen 2.920 N/A CYS 221.A N GLY 217.A O no hydrogen 2.998 N/A LEU 222.A N LEU 218.A O no hydrogen 3.018 N/A GLN 223.A N LYS 219.A O no hydrogen 2.928 N/A LYS 224.A N ARG 220.A O no hydrogen 2.821 N/A LEU 225.A N CYS 221.A O no hydrogen 3.071 N/A ARG 226.A N LEU 222.A O no hydrogen 2.770 N/A ARG 226.A NH1 GLU 134.A OE1 no hydrogen 3.123 N/A ARG 226.A NH2 GLN 223.A OE1 no hydrogen 3.393 N/A ASN 227.A N GLN 223.A O no hydrogen 3.067 N/A ALA 228.A N LEU 225.A O no hydrogen 3.304 N/A