Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tdi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N GLU 56.A O no hydrogen 3.015 N/A LYS 3.A NZ GLU 28.A OE1 no hydrogen 3.451 N/A LEU 4.A N GLU 28.A O no hydrogen 2.912 N/A HIS 5.A N MET 54.A O no hydrogen 2.860 N/A HIS 5.A NE2 GLU 56.A OE2 no hydrogen 2.680 N/A ARG 10.A NH1 GLU 166.A OE2 no hydrogen 3.448 N/A ARG 10.A NH1 LYS 202.A O no hydrogen 2.775 N/A ARG 10.A NH2 GLU 166.A OE1 no hydrogen 2.688 N/A ARG 10.A NH2 GLU 166.A OE2 no hydrogen 3.078 N/A ARG 12.A N TYR 6.A OH no hydrogen 2.744 N/A ARG 12.A NH1 GLU 101.A OE1 no hydrogen 3.118 N/A ARG 12.A NH2 GLU 101.A OE2 no hydrogen 2.895 N/A GLU 14.A N ARG 10.A O no hydrogen 3.128 N/A ARG 17.A N MET 13.A O no hydrogen 3.152 N/A ARG 17.A NE GLU 29.A OE1 no hydrogen 2.724 N/A ARG 17.A NH1 GLY 9.A O no hydrogen 3.050 N/A ARG 17.A NH1 ARG 10.A O no hydrogen 3.412 N/A ARG 17.A NH1 GLU 14.A OE1 no hydrogen 2.585 N/A ARG 17.A NH2 GLY 9.A O no hydrogen 2.910 N/A ARG 17.A NH2 GLU 29.A OE1 no hydrogen 3.398 N/A TRP 18.A N GLU 14.A O no hydrogen 2.891 N/A LEU 19.A N PRO 15.A O no hydrogen 3.027 N/A LEU 20.A N ILE 16.A O no hydrogen 3.187 N/A ALA 21.A N ARG 17.A O no hydrogen 3.140 N/A ALA 22.A N TRP 18.A O no hydrogen 2.935 N/A ALA 23.A N LEU 19.A O no hydrogen 2.955 N/A GLY 24.A N ALA 21.A O no hydrogen 3.021 N/A VAL 25.A N LEU 20.A O no hydrogen 2.942 N/A GLU 28.A N PRO 2.A O no hydrogen 2.790 N/A LYS 30.A N LEU 4.A O no hydrogen 3.070 N/A ILE 32.A N TYR 6.A O no hydrogen 2.954 N/A GLY 33.A N ASP 37.A OD2 no hydrogen 2.777 N/A SER 34.A OG GLU 36.A OE1 no hydrogen 3.537 N/A SER 34.A OG ASP 37.A OD2 no hydrogen 3.157 N/A ASP 37.A N SER 34.A OG no hydrogen 3.109 N/A LEU 38.A N SER 34.A O no hydrogen 3.263 N/A GLY 39.A N ALA 35.A O no hydrogen 2.754 N/A LYS 40.A N GLU 36.A O no hydrogen 2.921 N/A LEU 41.A N ASP 37.A O no hydrogen 3.378 N/A LEU 41.A N LEU 38.A O no hydrogen 3.010 N/A ARG 42.A N LEU 38.A O no hydrogen 3.119 N/A ARG 42.A NE GLN 50.A O no hydrogen 3.145 N/A ARG 42.A NH2 GLN 50.A O no hydrogen 3.374 N/A ASN 43.A N GLY 39.A O no hydrogen 2.934 N/A ASP 44.A N LEU 41.A O no hydrogen 3.283 N/A GLY 45.A N ARG 42.A O no hydrogen 2.952 N/A SER 46.A N LEU 41.A O no hydrogen 3.192 N/A GLN 50.A N LEU 47.A O no hydrogen 2.786 N/A VAL 55.A N LEU 62.A O no hydrogen 2.769 N/A GLU 56.A N LYS 3.A O no hydrogen 2.827 N/A ILE 57.A N MET 60.A O no hydrogen 3.082 N/A MET 60.A N ILE 57.A O no hydrogen 2.901 N/A LYS 61.A NZ SER 46.A OG no hydrogen 3.068 N/A LEU 62.A N VAL 55.A O no hydrogen 2.936 N/A ARG 66.A NH1 GLU 94.A OE2 no hydrogen 2.968 N/A ALA 67.A N GLN 64.A O no hydrogen 2.805 N/A ILE 68.A N GLN 64.A O no hydrogen 3.173 N/A LEU 69.A N THR 65.A O no hydrogen 2.976 N/A ASN 70.A N ARG 66.A O no hydrogen 2.987 N/A TYR 71.A N ALA 67.A O no hydrogen 3.112 N/A TYR 71.A OH ASP 58.A OD2 no hydrogen 2.430 N/A ILE 72.A N ILE 68.A O no hydrogen 3.075 N/A ALA 73.A N LEU 69.A O no hydrogen 2.962 N/A SER 74.A N ASN 70.A O no hydrogen 3.148 N/A SER 74.A OG ASN 70.A O no hydrogen 3.407 N/A LYS 75.A N TYR 71.A O no hydrogen 3.050 N/A LYS 75.A NZ ASP 58.A OD1 no hydrogen 3.362 N/A LYS 75.A NZ ASP 58.A OD2 no hydrogen 2.764 N/A TYR 76.A N ILE 72.A O no hydrogen 3.117 N/A ASN 77.A N SER 74.A O no hydrogen 3.037 N/A LEU 78.A N ALA 73.A O no hydrogen 2.705 N/A TYR 79.A OH ASP 90.A OD1 no hydrogen 2.555 N/A LYS 81.A N GLU 85.A OE1 no hydrogen 2.663 N/A LYS 81.A NZ GLU 85.A OE2 no hydrogen 2.603 N/A GLU 85.A N ASP 82.A OD1 no hydrogen 2.915 N/A ARG 86.A N ASP 82.A O no hydrogen 2.975 N/A ALA 87.A N ILE 83.A O no hydrogen 3.152 N/A LEU 88.A N LYS 84.A O no hydrogen 3.214 N/A ILE 89.A N GLU 85.A O no hydrogen 2.954 N/A ASP 90.A N ARG 86.A O no hydrogen 2.676 N/A MET 91.A N ALA 87.A O no hydrogen 2.897 N/A TYR 92.A N LEU 88.A O no hydrogen 2.888 N/A THR 93.A N ILE 89.A O no hydrogen 2.892 N/A THR 93.A OG1 ILE 89.A O no hydrogen 3.006 N/A THR 93.A OG1 ASP 90.A O no hydrogen 3.056 N/A GLU 94.A N ASP 90.A O no hydrogen 2.914 N/A GLY 95.A N MET 91.A O no hydrogen 3.317 N/A MET 96.A N TYR 92.A O no hydrogen 3.145 N/A ALA 97.A N THR 93.A O no hydrogen 2.764 N/A ASP 98.A N GLU 94.A O no hydrogen 2.988 N/A LEU 99.A N GLY 95.A O no hydrogen 3.180 N/A ASN 100.A N MET 96.A O no hydrogen 2.985 N/A GLU 101.A N ALA 97.A O no hydrogen 2.839 N/A MET 102.A N ASP 98.A O no hydrogen 3.384 N/A ILE 103.A N LEU 99.A O no hydrogen 3.309 N/A LEU 104.A N ASN 100.A O no hydrogen 2.761 N/A LEU 105.A N GLU 101.A O no hydrogen 2.999 N/A LEU 106.A N ILE 103.A O no hydrogen 3.235 N/A LEU 108.A N LEU 105.A O no hydrogen 2.875 N/A CYS 109.A N LEU 106.A O no hydrogen 2.963 N/A ARG 110.A N GLU 113.A OE2 no hydrogen 3.107 N/A GLU 113.A N ARG 110.A O no hydrogen 2.837 N/A LYS 114.A N ARG 110.A O no hydrogen 3.016 N/A LYS 117.A N GLU 113.A O no hydrogen 3.217 N/A ILE 118.A N LYS 114.A O no hydrogen 2.844 N/A ALA 119.A N ASP 115.A O no hydrogen 2.981 N/A LEU 120.A N ALA 116.A O no hydrogen 2.913 N/A ILE 121.A N LYS 117.A O no hydrogen 2.869 N/A LYS 122.A N ILE 118.A O no hydrogen 3.058 N/A LYS 122.A NZ ASP 168.A OD2 no hydrogen 2.928 N/A GLU 123.A N ALA 119.A O no hydrogen 2.974 N/A LYS 124.A N LEU 120.A O no hydrogen 2.863 N/A LYS 124.A NZ GLU 123.A OE1 no hydrogen 2.957 N/A THR 125.A N ILE 121.A O no hydrogen 2.841 N/A THR 125.A OG1 ILE 121.A O no hydrogen 2.759 N/A LYS 126.A N LYS 122.A O no hydrogen 3.112 N/A SER 127.A N GLU 123.A O no hydrogen 2.871 N/A SER 127.A OG GLU 123.A O no hydrogen 3.100 N/A SER 127.A OG GLU 123.A OE2 no hydrogen 2.711 N/A ARG 128.A N LYS 124.A O no hydrogen 2.861 N/A TYR 129.A N LYS 124.A O no hydrogen 3.092 N/A PHE 130.A N THR 125.A O no hydrogen 2.975 N/A ALA 132.A N ARG 128.A O no hydrogen 3.451 N/A PHE 133.A N TYR 129.A O no hydrogen 3.140 N/A GLU 134.A N PHE 130.A O no hydrogen 2.906 N/A LYS 135.A N PRO 131.A O no hydrogen 2.865 N/A VAL 136.A N ALA 132.A O no hydrogen 3.248 N/A LEU 137.A N PHE 133.A O no hydrogen 3.239 N/A GLN 138.A N GLU 134.A O no hydrogen 2.866 N/A GLN 138.A NE2 GLN 138.A O no hydrogen 3.514 N/A SER 139.A N LYS 135.A O no hydrogen 2.821 N/A SER 139.A OG VAL 136.A O no hydrogen 2.536 N/A HIS 140.A NE2 LEU 145.A O no hydrogen 3.056 N/A GLY 141.A N LEU 137.A O no hydrogen 2.968 N/A GLN 142.A N HIS 140.A ND1 no hydrogen 2.902 N/A LEU 145.A N ASP 154.A OD1 no hydrogen 2.773 N/A LYS 149.A N VAL 146.A O no hydrogen 3.317 N/A SER 151.A N ASP 154.A OD2 no hydrogen 3.028 N/A SER 151.A OG ASP 154.A OD2 no hydrogen 3.545 N/A ARG 152.A N LEU 78.A O no hydrogen 2.906 N/A ARG 152.A NH1 ASN 70.A OD1 no hydrogen 2.576 N/A ALA 153.A N SER 151.A OG no hydrogen 3.328 N/A ASP 154.A N SER 151.A O no hydrogen 3.078 N/A ILE 155.A N SER 151.A O no hydrogen 3.398 N/A SER 156.A N ARG 152.A O no hydrogen 2.815 N/A SER 156.A OG ARG 152.A O no hydrogen 3.057 N/A LEU 157.A N ALA 153.A O no hydrogen 2.956 N/A VAL 158.A N ASP 154.A O no hydrogen 3.117 N/A GLU 159.A N ILE 155.A O no hydrogen 3.208 N/A LEU 160.A N SER 156.A O no hydrogen 2.996 N/A LEU 161.A N LEU 157.A O no hydrogen 2.756 N/A TYR 162.A N VAL 158.A O no hydrogen 2.981 N/A TYR 162.A OH SER 186.A OG no hydrogen 2.878 N/A TYR 163.A N GLU 159.A O no hydrogen 3.156 N/A TYR 163.A OH GLU 159.A OE2 no hydrogen 2.467 N/A VAL 164.A N LEU 160.A O no hydrogen 2.940 N/A GLU 165.A N LEU 161.A O no hydrogen 3.117 N/A GLU 166.A N TYR 162.A O no hydrogen 3.112 N/A LEU 167.A N TYR 163.A O no hydrogen 3.295 N/A ASP 168.A N VAL 164.A O no hydrogen 2.922 N/A SER 170.A N ASP 168.A OD1 no hydrogen 2.752 N/A SER 170.A OG ASP 168.A OD1 no hydrogen 2.488 N/A LEU 171.A N ASP 168.A O no hydrogen 3.343 N/A SER 173.A N SER 170.A O no hydrogen 3.184 N/A SER 173.A OG SER 170.A O no hydrogen 2.688 N/A PHE 175.A N ILE 172.A O no hydrogen 2.830 N/A LEU 177.A N GLU 134.A OE2 no hydrogen 2.839 N/A LEU 178.A N GLU 134.A OE1 no hydrogen 3.065 N/A LYS 179.A N PHE 175.A O no hydrogen 3.130 N/A LYS 179.A NZ SER 173.A O no hydrogen 3.552 N/A ALA 180.A N PRO 176.A O no hydrogen 2.891 N/A LEU 181.A N LEU 177.A O no hydrogen 2.925 N/A LYS 182.A N LEU 178.A O no hydrogen 2.945 N/A LYS 182.A NZ GLU 165.A OE1 no hydrogen 2.972 N/A THR 183.A N LYS 179.A O no hydrogen 3.211 N/A THR 183.A OG1 LYS 179.A O no hydrogen 3.299 N/A ARG 184.A N ALA 180.A O no hydrogen 2.942 N/A ILE 185.A N LEU 181.A O no hydrogen 2.829 N/A SER 186.A N LYS 182.A O no hydrogen 3.073 N/A SER 186.A OG TYR 162.A OH no hydrogen 2.878 N/A SER 186.A OG LYS 182.A O no hydrogen 2.505 N/A ASN 187.A N THR 183.A O no hydrogen 3.024 N/A ASN 187.A N ARG 184.A O no hydrogen 3.225 N/A LEU 188.A N ILE 185.A O no hydrogen 3.299 N/A THR 190.A OG1 ALA 22.A O no hydrogen 2.723 N/A LYS 192.A N LEU 188.A O no hydrogen 2.768 N/A LYS 193.A N PRO 189.A O no hydrogen 3.119 N/A PHE 194.A N THR 190.A O no hydrogen 3.128 N/A LEU 195.A N VAL 191.A O no hydrogen 2.827 N/A GLN 196.A N LYS 192.A O no hydrogen 3.080 N/A GLN 196.A N LYS 193.A O no hydrogen 3.158 N/A SER 199.A OG PHE 194.A O no hydrogen 2.535 N/A ARG 201.A N SER 199.A OG no hydrogen 3.072 N/A LYS 202.A N GLU 14.A OE2 no hydrogen 2.870 N/A LYS 202.A NZ GLU 29.A OE1 no hydrogen 3.347 N/A LYS 202.A NZ GLU 29.A OE2 no hydrogen 2.582 N/A LYS 202.A NZ PRO 200.A O no hydrogen 3.070 N/A ALA 209.A N ASP 206.A OD1 no hydrogen 2.716 N/A LEU 210.A N ASP 206.A O no hydrogen 3.099 N/A GLU 211.A N ALA 207.A O no hydrogen 3.086 N/A GLU 212.A N LYS 208.A O no hydrogen 2.889 N/A ALA 213.A N ALA 209.A O no hydrogen 3.041 N/A ARG 214.A N LEU 210.A O no hydrogen 2.907 N/A LYS 215.A N GLU 211.A O no hydrogen 3.190 N/A ILE 216.A N GLU 212.A O no hydrogen 3.101 N/A PHE 217.A N ALA 213.A O no hydrogen 3.170 N/A ARG 218.A N ARG 214.A O no hydrogen 2.881 N/A