Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tko_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 9.A N GLU 12.A OE2 no hydrogen 3.107 N/A GLU 12.A N THR 9.A O no hydrogen 2.871 N/A GLU 14.A N GLY 88.A O no hydrogen 3.195 N/A SER 16.A N MET 21.A O no hydrogen 2.831 N/A LEU 19.A N SER 16.A OG no hydrogen 3.180 N/A ARG 20.A N ASP 17.A O no hydrogen 3.104 N/A MET 21.A N SER 16.A O no hydrogen 2.812 N/A ARG 25.A N ASP 22.A OD2 no hydrogen 3.177 N/A ARG 25.A NE ASP 22.A OD1 no hydrogen 3.157 N/A ARG 25.A NH1 LEU 142.A O no hydrogen 3.004 N/A ALA 26.A N ASP 22.A O no hydrogen 2.903 N/A GLU 27.A N ALA 23.A O no hydrogen 3.144 N/A GLN 28.A N ARG 25.A O no hydrogen 3.040 N/A CYS 29.A SG ASP 144.A OD1 no hydrogen 3.743 N/A VAL 30.A N ALA 26.A O no hydrogen 2.919 N/A ASP 31.A N GLU 27.A O no hydrogen 3.054 N/A ALA 32.A N GLN 28.A O no hydrogen 3.293 N/A LEU 33.A N CYS 29.A O no hydrogen 2.695 N/A ASN 34.A N VAL 30.A O no hydrogen 3.079 N/A ASN 34.A ND2 VAL 90.A O no hydrogen 3.112 N/A ALA 35.A N ALA 32.A O no hydrogen 3.131 N/A ASP 36.A N ALA 32.A O no hydrogen 3.242 N/A LEU 37.A N LEU 33.A O no hydrogen 2.805 N/A ALA 38.A N ASN 34.A O no hydrogen 3.405 N/A ASN 39.A N ALA 35.A O no hydrogen 3.432 N/A VAL 40.A N ASP 36.A O no hydrogen 2.807 N/A TYR 41.A N LEU 37.A O no hydrogen 2.967 N/A VAL 42.A N ALA 38.A O no hydrogen 3.161 N/A LEU 43.A N ASN 39.A O no hydrogen 3.001 N/A TYR 44.A N VAL 40.A O no hydrogen 2.785 N/A HIS 45.A N TYR 41.A O no hydrogen 3.265 N/A GLN 46.A N VAL 42.A O no hydrogen 2.917 N/A GLN 46.A NE2 ASP 121.A OD1 no hydrogen 3.048 N/A LEU 47.A N LEU 43.A O no hydrogen 2.862 N/A LYS 48.A N TYR 44.A O no hydrogen 2.970 N/A LYS 49.A N HIS 45.A O no hydrogen 3.038 N/A LYS 49.A NZ GLU 107.A OE2 no hydrogen 2.965 N/A LYS 49.A NZ ASP 108.A O no hydrogen 3.029 N/A LYS 49.A NZ ASP 110.A O no hydrogen 3.103 N/A HIS 50.A N GLN 46.A O no hydrogen 2.948 N/A HIS 50.A ND1 ASP 121.A OD2 no hydrogen 2.444 N/A HIS 50.A NE2 GLU 107.A OE2 no hydrogen 3.343 N/A HIS 51.A N LEU 47.A O no hydrogen 2.836 N/A HIS 51.A ND1 HIS 63.A O no hydrogen 2.726 N/A TRP 52.A N LYS 48.A O no hydrogen 2.776 N/A ASN 53.A N LYS 49.A O no hydrogen 2.970 N/A VAL 54.A N HIS 50.A O no hydrogen 2.933 N/A LEU 62.A N GLU 58.A O no hydrogen 3.123 N/A HIS 63.A N PHE 59.A O no hydrogen 2.756 N/A HIS 63.A ND1 HIS 51.A O no hydrogen 2.929 N/A LEU 64.A N ARG 60.A O no hydrogen 3.161 N/A PHE 65.A N ASP 61.A O no hydrogen 3.123 N/A LEU 66.A N LEU 62.A O no hydrogen 2.754 N/A GLY 67.A N HIS 63.A O no hydrogen 3.154 N/A GLU 68.A N LEU 64.A O no hydrogen 3.053 N/A ALA 69.A N PHE 65.A O no hydrogen 2.921 N/A ALA 70.A N LEU 66.A O no hydrogen 2.849 N/A GLU 71.A N GLY 67.A O no hydrogen 3.007 N/A THR 72.A N GLU 68.A O no hydrogen 2.879 N/A THR 72.A OG1 GLU 68.A O no hydrogen 3.169 N/A ALA 73.A N ALA 69.A O no hydrogen 2.987 N/A GLU 74.A N ALA 70.A O no hydrogen 2.994 N/A GLU 75.A N GLU 71.A O no hydrogen 3.014 N/A VAL 76.A N THR 72.A O no hydrogen 2.868 N/A ALA 77.A N ALA 73.A O no hydrogen 2.802 N/A ASP 78.A N GLU 74.A O no hydrogen 2.952 N/A GLU 79.A N GLU 75.A O no hydrogen 2.991 N/A LEU 80.A N VAL 76.A O no hydrogen 3.002 N/A ALA 81.A N ALA 77.A O no hydrogen 2.871 N/A GLU 82.A N ASP 78.A O no hydrogen 2.989 N/A ARG 83.A N GLU 79.A O no hydrogen 2.976 N/A ARG 83.A N LEU 80.A O no hydrogen 2.798 N/A ARG 83.A NE THR 147.A OG1 no hydrogen 2.750 N/A ARG 83.A NH2 ASP 144.A OD2 no hydrogen 3.222 N/A ARG 83.A NH2 THR 147.A OG1 no hydrogen 3.310 N/A VAL 84.A N LEU 80.A O no hydrogen 2.840 N/A GLN 85.A N ALA 81.A O no hydrogen 3.118 N/A ALA 86.A N GLU 82.A O no hydrogen 3.036 N/A LEU 87.A N ARG 83.A O no hydrogen 2.967 N/A GLY 88.A N GLN 85.A O no hydrogen 3.348 N/A GLY 89.A N VAL 84.A O no hydrogen 2.990 N/A HIS 92.A N ASN 34.A OD1 no hydrogen 2.961 N/A SER 94.A OG THR 97.A OG1 no hydrogen 2.584 N/A THR 97.A N SER 94.A OG no hydrogen 3.062 N/A THR 97.A OG1 SER 94.A OG no hydrogen 2.584 N/A LEU 98.A N SER 94.A O no hydrogen 2.882 N/A GLN 99.A N PRO 95.A O no hydrogen 3.065 N/A ALA 100.A N GLU 96.A O no hydrogen 3.023 N/A GLU 101.A N THR 97.A O no hydrogen 2.840 N/A ALA 102.A N GLN 99.A O no hydrogen 3.003 N/A SER 103.A N ASN 39.A OD1 no hydrogen 2.937 N/A SER 103.A OG ASN 39.A OD1 no hydrogen 3.529 N/A GLU 107.A N GLN 46.A OE1 no hydrogen 3.226 N/A TYR 112.A OH ASP 108.A OD2 no hydrogen 2.556 N/A ARG 115.A NH2 LEU 169.A O no hydrogen 2.959 N/A THR 116.A N ASP 113.A OD2 no hydrogen 3.109 N/A THR 116.A OG1 ASP 113.A OD1 no hydrogen 2.891 N/A THR 116.A OG1 ASP 113.A OD2 no hydrogen 3.008 N/A SER 117.A N ASP 113.A O no hydrogen 3.181 N/A SER 117.A OG TYR 112.A O no hydrogen 3.327 N/A SER 117.A OG ASP 113.A O no hydrogen 2.880 N/A LEU 118.A N ILE 114.A O no hydrogen 2.818 N/A ALA 119.A N ARG 115.A O no hydrogen 2.940 N/A ASN 120.A N THR 116.A O no hydrogen 2.826 N/A ASN 120.A ND2 GLU 107.A OE1 no hydrogen 2.648 N/A ASP 121.A N SER 117.A O no hydrogen 2.962 N/A MET 122.A N LEU 118.A O no hydrogen 2.913 N/A ALA 123.A N ALA 119.A O no hydrogen 3.280 N/A ILE 124.A N ASN 120.A O no hydrogen 3.142 N/A TYR 125.A N ASP 121.A O no hydrogen 2.835 N/A GLY 126.A N MET 122.A O no hydrogen 2.986 N/A ASP 127.A N ALA 123.A O no hydrogen 3.297 N/A ILE 128.A N ILE 124.A O no hydrogen 3.124 N/A ILE 129.A N TYR 125.A O no hydrogen 2.697 N/A GLU 130.A N GLY 126.A O no hydrogen 3.001 N/A ALA 131.A N ASP 127.A O no hydrogen 2.982 N/A THR 132.A N ILE 128.A O no hydrogen 2.969 N/A THR 132.A OG1 ILE 128.A O no hydrogen 2.804 N/A ARG 133.A N ILE 129.A O no hydrogen 3.165 N/A ARG 133.A NH2 GLU 159.A OE2 no hydrogen 3.519 N/A GLU 134.A N GLU 130.A O no hydrogen 3.379 N/A HIS 135.A N ALA 131.A O no hydrogen 3.127 N/A HIS 135.A ND1 ASP 36.A OD2 no hydrogen 2.776 N/A THR 136.A N THR 132.A O no hydrogen 3.037 N/A THR 136.A OG1 ARG 133.A O no hydrogen 2.986 N/A LEU 138.A N GLU 134.A O no hydrogen 2.910 N/A ALA 139.A N HIS 135.A O no hydrogen 2.936 N/A GLU 140.A N THR 136.A O no hydrogen 2.800 N/A ASN 141.A N GLU 137.A O no hydrogen 2.772 N/A LEU 142.A N LEU 138.A O no hydrogen 2.973 N/A GLY 143.A N GLU 140.A O no hydrogen 3.042 N/A ASP 144.A N ALA 139.A O no hydrogen 2.902 N/A HIS 145.A ND1 GLU 140.A OE1 no hydrogen 3.043 N/A HIS 145.A ND1 GLU 140.A OE2 no hydrogen 2.983 N/A THR 147.A N ASP 144.A OD2 no hydrogen 3.260 N/A THR 147.A OG1 ASP 144.A OD1 no hydrogen 2.455 N/A ALA 148.A N ASP 144.A O no hydrogen 3.148 N/A HIS 149.A N HIS 145.A O no hydrogen 2.794 N/A MET 150.A N ALA 146.A O no hydrogen 2.950 N/A LEU 151.A N THR 147.A O no hydrogen 3.019 N/A ARG 152.A N ALA 148.A O no hydrogen 3.049 N/A GLU 153.A N HIS 149.A O no hydrogen 3.024 N/A GLY 154.A N MET 150.A O no hydrogen 2.953 N/A LEU 155.A N LEU 151.A O no hydrogen 2.683 N/A ILE 156.A N ARG 152.A O no hydrogen 2.871 N/A LEU 158.A N GLY 154.A O no hydrogen 2.980 N/A GLU 159.A N LEU 155.A O no hydrogen 2.920 N/A ASP 160.A N ILE 156.A O no hydrogen 3.325 N/A ASP 161.A N GLU 157.A O no hydrogen 3.183 N/A ALA 162.A N LEU 158.A O no hydrogen 3.052 N/A HIS 163.A N GLU 159.A O no hydrogen 2.983 N/A HIS 164.A N ASP 160.A O no hydrogen 3.069 N/A ILE 165.A N ASP 161.A O no hydrogen 3.232 N/A GLU 166.A N ALA 162.A O no hydrogen 3.021 N/A HIS 167.A N HIS 163.A O no hydrogen 3.117 N/A HIS 167.A N HIS 164.A O no hydrogen 2.978 N/A TYR 168.A N HIS 164.A O no hydrogen 3.033 N/A TYR 168.A N ILE 165.A O no hydrogen 3.199 N/A TYR 168.A OH ASP 61.A OD1 no hydrogen 3.324 N/A TYR 168.A OH ASP 61.A OD2 no hydrogen 3.065 N/A LEU 169.A N ILE 165.A O no hydrogen 3.194 N/A ASP 171.A N GLU 170.A OE1 no hydrogen 3.378 N/A THR 173.A N ASP 172.A OD1 no hydrogen 2.598 N/A VAL 175.A N THR 173.A OG1 no hydrogen 2.847 N/A GLN 177.A NE2 GLN 177.A O no hydrogen 3.277 N/A ALA 179.A N THR 176.A OG1 no hydrogen 3.212 N/A LEU 180.A N THR 176.A O no hydrogen 3.176 N/A LEU 180.A N GLN 177.A O no hydrogen 3.171 N/A