Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rdi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 1.A OD1 no hydrogen 2.701 N/A GLU 5.A N ASP 1.A O no hydrogen 3.282 N/A TRP 6.A N PRO 2.A O no hydrogen 3.218 N/A PHE 7.A N THR 3.A O no hydrogen 3.289 N/A LEU 8.A N LEU 4.A O no hydrogen 2.674 N/A SER 9.A N GLU 5.A O no hydrogen 3.292 N/A SER 9.A OG GLU 5.A O no hydrogen 3.413 N/A SER 9.A OG TRP 6.A O no hydrogen 3.021 N/A HIS 10.A N PHE 7.A O no hydrogen 3.084 N/A CYS 11.A N LEU 8.A O no hydrogen 2.689 N/A CYS 11.A SG PHE 7.A O no hydrogen 3.777 N/A HIS 12.A N GLU 89.A O no hydrogen 3.162 N/A HIS 12.A ND1 HIS 14.A NE2 no hydrogen 2.658 N/A HIS 14.A N VAL 87.A O no hydrogen 3.173 N/A HIS 14.A NE2 HIS 12.A ND1 no hydrogen 2.658 N/A TYR 16.A N CYS 85.A O no hydrogen 2.802 N/A SER 18.A OG LYS 82.A O no hydrogen 2.747 N/A LYS 19.A N ALA 81.A O no hydrogen 2.834 N/A SER 20.A N PRO 17.A O no hydrogen 2.958 N/A SER 20.A OG PRO 17.A O no hydrogen 2.834 N/A LEU 22.A N VAL 79.A O no hydrogen 2.878 N/A ILE 23.A N VAL 79.A O no hydrogen 3.401 N/A HIS 24.A N GLU 27.A OE2 no hydrogen 3.350 N/A GLN 25.A NE2 SER 76.A O no hydrogen 3.308 N/A GLY 26.A N ARG 75.A O no hydrogen 2.863 N/A GLU 27.A N HIS 24.A O no hydrogen 3.180 N/A ALA 29.A N GLN 73.A O no hydrogen 2.806 N/A THR 31.A OG1 GLU 89.A OE2 no hydrogen 3.137 N/A LEU 32.A N ILE 90.A O no hydrogen 2.732 N/A TYR 33.A N ILE 63.A O no hydrogen 2.778 N/A TYR 34.A N ALA 88.A O no hydrogen 3.144 N/A ILE 35.A N ASP 61.A O no hydrogen 2.989 N/A VAL 36.A N GLU 86.A O no hydrogen 2.768 N/A LYS 37.A N GLU 86.A O no hydrogen 3.187 N/A SER 39.A N THR 83.A OG1 no hydrogen 3.428 N/A VAL 40.A N LEU 57.A O no hydrogen 2.797 N/A ALA 41.A N ARG 80.A O no hydrogen 2.748 N/A VAL 42.A N PHE 55.A O no hydrogen 2.833 N/A LEU 43.A N TRP 78.A O no hydrogen 2.796 N/A ILE 44.A N MET 52.A O no hydrogen 3.070 N/A ASP 46.A N LYS 50.A O no hydrogen 2.892 N/A GLY 49.A N ASP 46.A O no hydrogen 2.557 N/A LYS 50.A N ASP 46.A OD2 no hydrogen 2.613 N/A MET 52.A N ILE 44.A O no hydrogen 2.917 N/A LEU 54.A N VAL 42.A O no hydrogen 2.640 N/A LEU 57.A N VAL 40.A O no hydrogen 2.893 N/A ASN 58.A N ASP 61.A OD2 no hydrogen 2.581 N/A GLY 60.A N ILE 35.A O no hydrogen 2.637 N/A ASP 61.A N ASN 58.A O no hydrogen 2.819 N/A PHE 62.A N GLN 112.A OE1 no hydrogen 2.908 N/A ILE 63.A N TYR 33.A O no hydrogen 2.945 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.479 N/A LEU 68.A N GLU 65.A O no hydrogen 2.967 N/A GLN 73.A NE2 GLU 70.A O no hydrogen 2.836 N/A ARG 75.A N GLU 27.A O no hydrogen 2.944 N/A ARG 75.A NH1 THR 31.A O no hydrogen 3.259 N/A ARG 75.A NH1 GLY 64.A O no hydrogen 2.958 N/A ARG 75.A NH2 THR 31.A O no hydrogen 2.634 N/A TRP 78.A N LEU 43.A O no hydrogen 2.948 N/A VAL 79.A N ILE 23.A O no hydrogen 3.043 N/A ARG 80.A N ALA 41.A O no hydrogen 2.875 N/A ARG 80.A NH1 GLU 51.A OE1 no hydrogen 2.865 N/A ALA 81.A N SER 20.A O no hydrogen 2.824 N/A LYS 82.A N SER 39.A O no hydrogen 2.699 N/A LYS 82.A NZ ASP 148.A OD1 no hydrogen 3.081 N/A THR 83.A N SER 39.A O no hydrogen 3.279 N/A THR 83.A OG1 ALA 84.A O no hydrogen 3.038 N/A CYS 85.A N TYR 16.A O no hydrogen 2.715 N/A CYS 85.A SG SER 39.A O no hydrogen 3.426 N/A CYS 85.A SG THR 83.A O no hydrogen 3.039 N/A GLU 86.A N LYS 37.A O no hydrogen 2.912 N/A VAL 87.A N HIS 14.A O no hydrogen 2.973 N/A ALA 88.A N TYR 34.A O no hydrogen 2.767 N/A GLU 89.A N HIS 12.A O no hydrogen 2.863 N/A ILE 90.A N LEU 32.A O no hydrogen 3.011 N/A TYR 92.A N GLU 30.A O no hydrogen 2.789 N/A TYR 92.A OH GLY 64.A O no hydrogen 2.546 N/A LYS 94.A N SER 91.A OG no hydrogen 2.970 N/A PHE 95.A N SER 91.A O no hydrogen 2.986 N/A ARG 96.A N TYR 92.A O no hydrogen 2.674 N/A LEU 98.A N LYS 94.A O no hydrogen 3.166 N/A ILE 99.A N PHE 95.A O no hydrogen 3.180 N/A GLN 100.A N GLN 97.A O no hydrogen 2.729 N/A GLN 100.A NE2 ARG 96.A O no hydrogen 3.073 N/A VAL 101.A N GLN 97.A O no hydrogen 3.120 N/A ASN 102.A N LEU 98.A O no hydrogen 2.631 N/A ILE 105.A N ASN 102.A O no hydrogen 3.377 N/A MET 107.A N PRO 103.A O no hydrogen 3.002 N/A ARG 108.A N ASP 104.A O no hydrogen 2.948 N/A ARG 108.A N ILE 105.A O no hydrogen 3.029 N/A ARG 108.A NH2 ASP 1.A OD1 no hydrogen 3.486 N/A LEU 109.A N ILE 105.A O no hydrogen 3.158 N/A SER 110.A N LEU 106.A O no hydrogen 3.016 N/A SER 110.A OG LEU 106.A O no hydrogen 2.693 N/A ALA 111.A N MET 107.A O no hydrogen 3.226 N/A GLN 112.A N ARG 108.A O no hydrogen 3.425 N/A GLN 112.A NE2 GLY 60.A O no hydrogen 3.049 N/A MET 113.A N LEU 109.A O no hydrogen 2.994 N/A ALA 114.A N SER 110.A O no hydrogen 2.756 N/A ARG 115.A N ALA 111.A O no hydrogen 3.012 N/A ARG 116.A N GLN 112.A O no hydrogen 2.839 N/A ARG 116.A NH1 PHE 62.A O no hydrogen 3.089 N/A ARG 116.A NH2 PHE 62.A O no hydrogen 2.924 N/A LEU 117.A N MET 113.A O no hydrogen 2.999 N/A GLN 118.A N ALA 114.A O no hydrogen 3.233 N/A VAL 119.A N ARG 115.A O no hydrogen 3.005 N/A THR 120.A N ARG 116.A O no hydrogen 2.838 N/A THR 120.A OG1 ARG 116.A O no hydrogen 2.634 N/A SER 121.A N LEU 117.A O no hydrogen 2.809 N/A SER 121.A OG LEU 117.A O no hydrogen 2.856 N/A GLU 122.A N GLN 118.A O no hydrogen 2.926 N/A LYS 123.A N VAL 119.A O no hydrogen 2.771 N/A LYS 123.A NZ ILE 53.A O no hydrogen 3.100 N/A LYS 123.A NZ ILE 168.A O no hydrogen 3.243 N/A VAL 124.A N THR 120.A O no hydrogen 2.766 N/A GLY 125.A N SER 121.A O no hydrogen 2.783 N/A ASN 126.A N GLU 122.A O no hydrogen 2.820 N/A LEU 127.A N LYS 123.A O no hydrogen 3.078 N/A LEU 127.A N VAL 124.A O no hydrogen 3.024 N/A ALA 128.A N VAL 124.A O no hydrogen 3.036 N/A PHE 129.A N GLY 125.A O no hydrogen 3.035 N/A GLY 134.A N ASP 131.A OD1 no hydrogen 2.631 N/A ARG 135.A N ASP 131.A O no hydrogen 2.927 N/A ARG 135.A NE LEU 130.A O no hydrogen 3.165 N/A ARG 135.A NH1 VAL 169.A O no hydrogen 3.288 N/A ARG 135.A NH2 LEU 127.A O no hydrogen 3.067 N/A ILE 136.A N VAL 132.A O no hydrogen 3.335 N/A ALA 137.A N THR 133.A O no hydrogen 2.992 N/A GLN 138.A N GLY 134.A O no hydrogen 2.839 N/A THR 139.A N ARG 135.A O no hydrogen 2.683 N/A THR 139.A OG1 ARG 135.A O no hydrogen 3.099 N/A LEU 140.A N ILE 136.A O no hydrogen 3.245 N/A LEU 140.A N ALA 137.A O no hydrogen 3.156 N/A LEU 141.A N ALA 137.A O no hydrogen 3.376 N/A ASN 142.A N GLN 138.A O no hydrogen 3.083 N/A ASN 142.A ND2 GLN 138.A OE1 no hydrogen 3.188 N/A LEU 143.A N THR 139.A O no hydrogen 3.067 N/A ALA 144.A N LEU 140.A O no hydrogen 2.941 N/A LYS 145.A N ASN 142.A O no hydrogen 3.298 N/A GLN 146.A N LEU 143.A O no hydrogen 3.341 N/A GLN 146.A NE2 ASN 142.A O no hydrogen 3.492 N/A ALA 149.A N GLN 146.A O no hydrogen 2.815 N/A MET 150.A N GLN 157.A O no hydrogen 3.168 N/A HIS 152.A N GLY 155.A O no hydrogen 3.017 N/A GLY 155.A N HIS 152.A O no hydrogen 3.393 N/A GLN 157.A N MET 150.A O no hydrogen 3.122 N/A ILE 158.A N ILE 196.A O no hydrogen 2.961 N/A ILE 160.A N LYS 194.A O no hydrogen 3.402 N/A GLU 164.A N THR 161.A OG1 no hydrogen 3.042 N/A ILE 165.A N THR 161.A O no hydrogen 3.409 N/A GLY 166.A N ARG 162.A O no hydrogen 2.984 N/A GLN 167.A N GLN 163.A O no hydrogen 2.759 N/A GLN 167.A NE2 GLU 51.A OE2 no hydrogen 3.142 N/A ILE 168.A N GLU 164.A O no hydrogen 2.798 N/A VAL 169.A N ILE 165.A O no hydrogen 2.816 N/A GLY 170.A N GLY 166.A O no hydrogen 2.683 N/A SER 172.A OG GLU 174.A OE1 no hydrogen 3.345 N/A SER 172.A OG THR 175.A OG1 no hydrogen 3.194 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.470 N/A THR 175.A N SER 172.A OG no hydrogen 2.948 N/A THR 175.A OG1 SER 172.A OG no hydrogen 3.194 N/A VAL 176.A N SER 172.A O no hydrogen 2.851 N/A GLY 177.A N ARG 173.A O no hydrogen 2.885 N/A ARG 178.A N GLU 174.A O no hydrogen 3.102 N/A ILE 179.A N THR 175.A O no hydrogen 3.057 N/A LEU 180.A N VAL 176.A O no hydrogen 2.873 N/A LYS 181.A N GLY 177.A O no hydrogen 3.096 N/A MET 182.A N ARG 178.A O no hydrogen 2.837 N/A LEU 183.A N ILE 179.A O no hydrogen 2.835 N/A GLU 184.A N LEU 180.A O no hydrogen 2.981 N/A GLU 184.A N LYS 181.A O no hydrogen 2.735 N/A ASP 185.A N LYS 181.A O no hydrogen 2.861 N/A GLN 186.A N MET 182.A O no hydrogen 3.030 N/A ASN 187.A N GLU 184.A O no hydrogen 2.747 N/A LEU 188.A N LEU 183.A O no hydrogen 2.821 N/A SER 190.A N VAL 197.A O no hydrogen 3.227 N/A ALA 191.A N GLU 184.A OE1 no hydrogen 3.367 N/A HIS 192.A N THR 195.A O no hydrogen 3.375 N/A ILE 196.A N ILE 158.A O no hydrogen 2.932 N/A VAL 197.A N SER 190.A O no hydrogen 3.003 N/A VAL 198.A N MET 156.A O no hydrogen 3.289 N/A