Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tdi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 61.A OE2 no hydrogen 2.618 N/A THR 9.A N PRO 5.A O no hydrogen 3.153 N/A THR 9.A OG1 LYS 6.A O no hydrogen 2.634 N/A GLN 10.A N LYS 6.A O no hydrogen 2.898 N/A VAL 11.A N GLU 7.A O no hydrogen 3.192 N/A PHE 12.A N LEU 8.A O no hydrogen 3.268 N/A GLU 13.A N THR 9.A O no hydrogen 3.118 N/A HIS 14.A N GLN 10.A O no hydrogen 2.832 N/A TYR 15.A N PHE 12.A O no hydrogen 3.048 N/A TYR 15.A OH GLU 32.A OE1 no hydrogen 2.578 N/A ILE 16.A N PHE 12.A O no hydrogen 3.319 N/A ASN 17.A N LEU 20.A O no hydrogen 2.841 N/A ASN 17.A ND2 ASP 22.A OD1 no hydrogen 2.713 N/A ASN 17.A ND2 ASP 22.A OD2 no hydrogen 3.556 N/A LEU 20.A N ASN 17.A O no hydrogen 3.131 N/A ASP 22.A N SER 25.A OG no hydrogen 3.219 N/A SER 25.A N ASP 22.A OD1 no hydrogen 3.018 N/A SER 25.A OG TYR 15.A O no hydrogen 2.724 N/A SER 25.A OG LEU 20.A O no hydrogen 3.520 N/A SER 25.A OG ASP 22.A OD1 no hydrogen 3.000 N/A LEU 26.A N ASP 22.A O no hydrogen 2.983 N/A VAL 27.A N ILE 23.A O no hydrogen 3.112 N/A LYS 28.A N ASP 24.A O no hydrogen 3.084 N/A PHE 29.A N SER 25.A O no hydrogen 2.851 N/A ILE 30.A N LEU 26.A O no hydrogen 2.886 N/A GLU 31.A N VAL 27.A O no hydrogen 2.947 N/A GLU 32.A N LYS 28.A O no hydrogen 2.837 N/A LEU 33.A N PHE 29.A O no hydrogen 2.809 N/A GLY 34.A N ILE 30.A O no hydrogen 3.103 N/A GLY 34.A N GLU 31.A O no hydrogen 2.928 N/A TYR 35.A N ILE 30.A O no hydrogen 3.056 N/A ASN 36.A N ASP 39.A OD2 no hydrogen 2.808 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.816 N/A ASP 39.A N ASN 36.A O no hydrogen 3.002 N/A THR 42.A N ASP 39.A O no hydrogen 3.041 N/A THR 42.A OG1 ASP 39.A O no hydrogen 2.547 N/A LEU 43.A N LEU 40.A O no hydrogen 2.740 N/A LEU 45.A N ALA 41.A O no hydrogen 3.063 N/A ALA 46.A N THR 42.A O no hydrogen 3.096 N/A HIS 47.A N LEU 43.A O no hydrogen 2.950 N/A LEU 48.A N CYS 44.A O no hydrogen 2.728 N/A LEU 49.A N LEU 45.A O no hydrogen 2.796 N/A GLY 50.A N HIS 47.A O no hydrogen 2.919 N/A TYR 51.A N ALA 46.A O no hydrogen 2.998 N/A LYS 53.A NZ ASN 105.A O no hydrogen 2.802 N/A GLU 55.A N GLU 55.A OE1 no hydrogen 2.708 N/A LEU 58.A N PHE 21.A O no hydrogen 3.012 N/A LYS 59.A NZ ASP 62.A OD2 no hydrogen 3.067 N/A ARG 60.A NH1 GLU 13.A OE1 no hydrogen 3.554 N/A PHE 63.A N LYS 59.A O no hydrogen 2.869 N/A LEU 64.A N ARG 60.A O no hydrogen 2.860 N/A SER 65.A N GLU 61.A O no hydrogen 2.736 N/A SER 65.A OG GLU 61.A O no hydrogen 2.515 N/A SER 65.A OG GLU 61.A OE2 no hydrogen 3.124 N/A THR 66.A N ASP 62.A O no hydrogen 3.149 N/A THR 66.A OG1 ASP 62.A O no hydrogen 2.973 N/A TRP 67.A N PHE 63.A O no hydrogen 3.428 N/A PHE 68.A N LEU 64.A O no hydrogen 3.004 N/A MET 69.A N SER 65.A O no hydrogen 3.139 N/A GLN 70.A N THR 66.A O no hydrogen 3.246 N/A GLN 70.A N TRP 67.A O no hydrogen 2.992 N/A GLY 71.A N PHE 68.A O no hydrogen 3.212 N/A CYS 72.A N TRP 67.A O no hydrogen 3.012 N/A CYS 72.A SG GLN 70.A O no hydrogen 3.596 N/A SER 73.A N ASP 77.A OD2 no hydrogen 3.134 N/A SER 73.A OG GLU 7.A OE1 no hydrogen 3.487 N/A ASP 77.A N THR 74.A OG1 no hydrogen 3.190 N/A MET 78.A N THR 74.A O no hydrogen 3.022 N/A GLN 79.A N ILE 75.A O no hydrogen 2.712 N/A GLN 79.A NE2 GLU 32.A O no hydrogen 3.646 N/A GLN 79.A NE2 LEU 33.A O no hydrogen 3.691 N/A GLU 80.A N SER 76.A O no hydrogen 3.107 N/A CYS 81.A N ASP 77.A O no hydrogen 2.884 N/A ILE 82.A N MET 78.A O no hydrogen 2.958 N/A LYS 83.A N GLN 79.A O no hydrogen 2.845 N/A THR 84.A N GLU 80.A O no hydrogen 3.193 N/A THR 84.A OG1 GLU 80.A O no hydrogen 3.028 N/A LEU 85.A N CYS 81.A O no hydrogen 3.156 N/A ASP 86.A N ILE 82.A O no hydrogen 2.683 N/A VAL 87.A N LYS 83.A O no hydrogen 3.021 N/A LYS 88.A N THR 84.A O no hydrogen 3.065 N/A LEU 89.A N LEU 85.A O no hydrogen 2.780 N/A HIS 90.A N ASP 86.A O no hydrogen 3.300 N/A HIS 90.A ND1 ASP 86.A O no hydrogen 2.623 N/A HIS 90.A NE2 GLU 131.A OE1 no hydrogen 2.829 N/A GLU 91.A N VAL 87.A O no hydrogen 3.071 N/A GLU 91.A N LYS 88.A O no hydrogen 3.373 N/A ASP 92.A N LYS 88.A O no hydrogen 3.026 N/A TYR 95.A N ASP 92.A OD1 no hydrogen 3.001 N/A PHE 96.A N ASP 92.A O no hydrogen 2.981 N/A THR 97.A N LEU 93.A O no hydrogen 2.977 N/A THR 97.A OG1 LEU 93.A O no hydrogen 2.588 N/A GLN 98.A N GLN 94.A O no hydrogen 3.059 N/A ILE 99.A N TYR 95.A O no hydrogen 2.948 N/A TYR 100.A N PHE 96.A O no hydrogen 2.730 N/A TYR 100.A OH TRP 161.A O no hydrogen 2.601 N/A ASN 101.A N THR 97.A O no hydrogen 2.793 N/A TYR 102.A N GLN 98.A O no hydrogen 2.805 N/A TYR 102.A OH TYR 51.A O no hydrogen 2.781 N/A ALA 103.A N ILE 99.A O no hydrogen 2.840 N/A ASN 105.A N TYR 102.A O no hydrogen 2.873 N/A LEU 106.A N TYR 102.A O no hydrogen 3.326 N/A ILE 107.A N ALA 103.A O no hydrogen 2.914 N/A LEU 108.A N PHE 104.A O no hydrogen 3.117 N/A ARG 112.A N ASP 109.A O no hydrogen 3.364 N/A ARG 112.A NH1 ASP 116.A OD1 no hydrogen 3.107 N/A ARG 112.A NH1 ASP 116.A OD2 no hydrogen 2.901 N/A ILE 115.A N ILE 156.A O no hydrogen 3.055 N/A THR 117.A N THR 154.A O no hydrogen 2.922 N/A THR 117.A OG1 LYS 153.A O no hydrogen 2.592 N/A GLY 120.A N ASP 116.A O no hydrogen 2.887 N/A ILE 121.A N THR 117.A O no hydrogen 2.696 N/A GLN 122.A N ASP 118.A O no hydrogen 3.074 N/A TYR 123.A N GLU 119.A O no hydrogen 3.023 N/A TRP 124.A N GLY 120.A O no hydrogen 2.730 N/A TRP 124.A NE1 TYR 100.A OH no hydrogen 3.048 N/A LYS 125.A N ILE 121.A O no hydrogen 2.884 N/A LEU 126.A N TYR 123.A O no hydrogen 2.984 N/A PHE 127.A N TYR 123.A O no hydrogen 3.032 N/A PHE 128.A N TRP 124.A O no hydrogen 2.987 N/A TYR 132.A N GLN 129.A O no hydrogen 2.794 N/A ARG 135.A NH1 PRO 130.A O no hydrogen 2.582 N/A GLU 137.A N PRO 172.A O no hydrogen 2.827 N/A LEU 140.A N GLU 137.A O no hydrogen 3.110 N/A LEU 141.A N GLU 137.A O no hydrogen 3.292 N/A GLU 142.A N PRO 138.A O no hydrogen 2.938 N/A ALA 143.A N ASP 139.A O no hydrogen 2.762 N/A TRP 144.A N LEU 140.A O no hydrogen 2.965 N/A PHE 145.A N LEU 141.A O no hydrogen 3.039 N/A ARG 146.A N GLU 142.A O no hydrogen 2.866 N/A PHE 147.A N ALA 143.A O no hydrogen 2.870 N/A LEU 148.A N TRP 144.A O no hydrogen 3.111 N/A ARG 149.A N PHE 145.A O no hydrogen 3.146 N/A ASP 150.A N ARG 146.A O no hydrogen 2.784 N/A GLU 151.A N PHE 147.A O no hydrogen 2.910 N/A GLY 152.A N ARG 149.A O no hydrogen 3.224 N/A LYS 153.A N LEU 148.A O no hydrogen 2.858 N/A LYS 153.A NZ GLU 193.A OE1 no hydrogen 2.964 N/A LYS 153.A NZ GLU 193.A OE2 no hydrogen 2.813 N/A ILE 156.A N ILE 115.A O no hydrogen 2.816 N/A SER 157.A OG THR 160.A OG1 no hydrogen 3.115 N/A LYS 158.A NZ ASN 105.A OD1 no hydrogen 3.472 N/A THR 160.A N SER 157.A OG no hydrogen 3.264 N/A THR 160.A OG1 SER 157.A OG no hydrogen 3.115 N/A TRP 161.A N SER 157.A O no hydrogen 2.946 N/A TRP 161.A NE1 TYR 100.A O no hydrogen 2.946 N/A ARG 162.A N LYS 158.A O no hydrogen 2.731 N/A MET 163.A N ASP 159.A O no hydrogen 2.829 N/A LEU 164.A N THR 160.A O no hydrogen 3.104 N/A PHE 167.A N MET 163.A O no hydrogen 2.983 N/A PHE 168.A N LEU 164.A O no hydrogen 3.006 N/A LYS 169.A N LEU 165.A O no hydrogen 3.113 N/A ARG 170.A N LEU 166.A O no hydrogen 2.766 N/A ARG 170.A NH1 ARG 170.A O no hydrogen 2.974 N/A ARG 170.A NH1 ASP 180.A OD2 no hydrogen 3.146 N/A ARG 170.A NH2 ASP 180.A OD2 no hydrogen 3.296 N/A TYR 171.A N PHE 167.A O no hydrogen 2.759 N/A ILE 174.A N GLU 137.A OE1 no hydrogen 3.371 N/A LYS 176.A N THR 173.A OG1 no hydrogen 3.011 N/A LYS 176.A NZ ASP 180.A OD2 no hydrogen 2.701 N/A ILE 177.A N THR 173.A O no hydrogen 3.200 N/A ILE 178.A N ILE 174.A O no hydrogen 3.058 N/A SER 179.A N GLN 175.A O no hydrogen 2.976 N/A SER 179.A OG ASP 180.A OD1 no hydrogen 2.567 N/A ASP 180.A N LYS 176.A O no hydrogen 2.953 N/A TYR 181.A N ILE 177.A O no hydrogen 2.880 N/A TYR 181.A OH ASP 192.A OD1 no hydrogen 2.430 N/A THR 184.A N ASP 182.A OD1 no hydrogen 2.914 N/A THR 184.A OG1 ASP 182.A OD1 no hydrogen 2.728 N/A ALA 185.A N ASP 182.A O no hydrogen 3.195 N/A ASP 192.A N PRO 188.A O no hydrogen 3.272 N/A GLU 193.A N PHE 189.A O no hydrogen 3.031 N/A PHE 194.A N ILE 190.A O no hydrogen 2.918 N/A TYR 195.A N ILE 191.A O no hydrogen 3.055 N/A GLU 196.A N ASP 192.A O no hydrogen 3.075 N/A CYS 197.A N GLU 193.A O no hydrogen 2.947 N/A CYS 197.A SG.B GLU 151.A OE1 no hydrogen 3.436 N/A CYS 197.A SG.B GLU 193.A O no hydrogen 3.327 N/A LEU 198.A N PHE 194.A O no hydrogen 2.940 N/A GLN 199.A N TYR 195.A O no hydrogen 2.750 N/A GLN 199.A NE2 GLN 199.A O no hydrogen 3.530 N/A ASP 200.A N GLU 196.A O no hydrogen 2.853 N/A GLN 201.A N CYS 197.A O no hydrogen 3.179 N/A GLN 201.A NE2 CYS 197.A O no hydrogen 3.318 N/A GLN 202.A NE2 GLN 175.A OE1 no hydrogen 3.124 N/A