Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N ASP 52.A OD2 no hydrogen 2.553 N/A VAL 3.A N ALA 10.A O no hydrogen 2.972 N/A LYS 5.A N GLY 8.A O no hydrogen 2.679 N/A GLY 8.A N LYS 5.A O no hydrogen 3.144 N/A ALA 10.A N VAL 3.A O no hydrogen 2.889 N/A TRP 11.A N GLN 118.A OE1 no hydrogen 2.761 N/A TRP 11.A NE1 ASP 52.A OD1 no hydrogen 2.976 N/A THR 12.A N PRO 1.A O no hydrogen 2.908 N/A LEU 18.A N GLU 15.A O no hydrogen 3.109 N/A ILE 19.A N GLU 15.A O no hydrogen 3.292 N/A THR 20.A N PRO 16.A O no hydrogen 2.984 N/A THR 20.A OG1 PRO 16.A O no hydrogen 3.149 N/A ARG 21.A N LYS 17.A O no hydrogen 2.816 N/A LEU 22.A N LEU 18.A O no hydrogen 2.831 N/A ALA 23.A N ILE 19.A O no hydrogen 2.924 N/A ASP 24.A N THR 20.A O no hydrogen 2.998 N/A THR 25.A N ARG 21.A O no hydrogen 2.963 N/A THR 25.A OG1 ARG 21.A O no hydrogen 3.080 N/A THR 25.A OG1 GLU 39.A OE1 no hydrogen 3.544 N/A THR 25.A OG1 GLU 39.A OE2 no hydrogen 2.725 N/A VAL 26.A N LEU 22.A O no hydrogen 2.761 N/A ARG 27.A N ALA 23.A O no hydrogen 3.013 N/A THR 28.A N ASP 24.A O no hydrogen 2.658 N/A THR 28.A OG1 ASP 24.A O no hydrogen 2.925 N/A THR 28.A OG1 THR 25.A O no hydrogen 3.448 N/A LYS 29.A N THR 25.A O no hydrogen 2.691 N/A GLY 30.A N VAL 26.A O no hydrogen 2.938 N/A ARG 32.A NH1 ALA 144.A O no hydrogen 3.021 N/A SER 33.A N GLY 30.A O no hydrogen 3.430 N/A ILE 35.A N SER 33.A OG no hydrogen 3.057 N/A THR 36.A OG1 GLY 30.A O no hydrogen 2.697 N/A MET 37.A N SER 33.A O no hydrogen 2.950 N/A ALA 38.A N PRO 34.A O no hydrogen 2.916 N/A GLU 39.A N ILE 35.A O no hydrogen 2.905 N/A VAL 40.A N THR 36.A O no hydrogen 2.764 N/A GLU 41.A N MET 37.A O no hydrogen 2.885 N/A ALA 42.A N ALA 38.A O no hydrogen 2.907 N/A LEU 43.A N GLU 39.A O no hydrogen 2.916 N/A MET 44.A N VAL 40.A O no hydrogen 2.929 N/A SER 45.A N ALA 42.A O no hydrogen 3.123 N/A SER 45.A OG ALA 42.A O no hydrogen 2.755 N/A LEU 48.A N THR 133.A OG1 no hydrogen 2.694 N/A LEU 49.A N ASP 52.A OD2 no hydrogen 2.932 N/A HIS 51.A N GLN 120.A OE1 no hydrogen 2.915 N/A VAL 53.A N LEU 49.A O no hydrogen 3.057 N/A THR 54.A N PRO 50.A O no hydrogen 3.040 N/A THR 54.A OG1 PRO 50.A O no hydrogen 3.148 N/A THR 54.A OG1 HIS 51.A O no hydrogen 3.497 N/A ASN 55.A N HIS 51.A O no hydrogen 3.360 N/A ASN 55.A ND2 HIS 51.A O no hydrogen 2.858 N/A LEU 56.A N ASP 52.A O no hydrogen 2.884 N/A MET 57.A N VAL 53.A O no hydrogen 2.917 N/A ARG 58.A N THR 54.A O no hydrogen 2.818 N/A ARG 58.A NH2 ASN 55.A OD1 no hydrogen 3.299 N/A VAL 59.A N ASN 55.A O no hydrogen 3.189 N/A ILE 60.A N LEU 56.A O no hydrogen 2.999 N/A LEU 61.A N MET 57.A O no hydrogen 2.924 N/A TYR 66.A N GLY 62.A O no hydrogen 2.798 N/A ALA 67.A N PRO 63.A O no hydrogen 3.013 N/A LEU 68.A N ALA 64.A O no hydrogen 2.903 N/A TRP 69.A N PRO 65.A O no hydrogen 2.718 N/A TRP 69.A NE1 ALA 136.A O no hydrogen 3.040 N/A MET 70.A N TYR 66.A O no hydrogen 2.883 N/A ASP 71.A N ALA 67.A O no hydrogen 3.268 N/A ALA 72.A N LEU 68.A O no hydrogen 2.951 N/A TRP 73.A N TRP 69.A O no hydrogen 2.726 N/A GLY 74.A N MET 70.A O no hydrogen 3.052 N/A VAL 75.A N ASP 71.A O no hydrogen 3.138 N/A GLN 76.A N ALA 72.A O no hydrogen 2.924 N/A LEU 77.A N TRP 73.A O no hydrogen 2.732 N/A GLN 78.A N GLY 74.A O no hydrogen 2.922 N/A THR 79.A N VAL 75.A O no hydrogen 2.998 N/A THR 79.A OG1 GLN 76.A O no hydrogen 2.719 N/A VAL 80.A N GLN 76.A O no hydrogen 3.127 N/A ILE 81.A N LEU 77.A O no hydrogen 2.882 N/A ALA 82.A N GLN 78.A O no hydrogen 2.850 N/A ALA 83.A N THR 79.A O no hydrogen 3.088 N/A ALA 84.A N VAL 80.A O no hydrogen 2.794 N/A THR 85.A N ILE 81.A O no hydrogen 2.860 N/A THR 85.A OG1 ILE 81.A O no hydrogen 2.709 N/A ARG 86.A N ALA 82.A O no hydrogen 3.130 N/A ASP 87.A N ALA 83.A O no hydrogen 2.937 N/A ARG 89.A N ASP 87.A OD2 no hydrogen 2.751 N/A HIS 90.A N ASP 87.A O no hydrogen 2.945 N/A ALA 92.A N HIS 90.A ND1 no hydrogen 2.913 N/A ASN 93.A N HIS 90.A O no hydrogen 2.764 N/A ASN 93.A ND2 ALA 84.A O no hydrogen 2.872 N/A ASN 93.A ND2 PRO 88.A O no hydrogen 3.287 N/A GLY 94.A N GLU 99.A O no hydrogen 2.597 N/A GLY 96.A N GLU 99.A OE2 no hydrogen 2.750 N/A ARG 97.A NH1 ARG 97.A O no hydrogen 2.960 N/A THR 101.A N ASN 93.A OD1 no hydrogen 2.906 N/A ARG 105.A N ASN 102.A OD1 no hydrogen 2.756 N/A ARG 105.A NE GLU 128.A OE1 no hydrogen 2.767 N/A ARG 105.A NH2 LEU 123.A O no hydrogen 2.965 N/A ARG 105.A NH2 GLU 128.A OE1 no hydrogen 3.443 N/A ARG 105.A NH2 GLU 128.A OE2 no hydrogen 2.795 N/A LEU 106.A N ASN 102.A O no hydrogen 3.208 N/A LYS 107.A N LEU 103.A O no hydrogen 3.083 N/A GLY 108.A N ARG 105.A O no hydrogen 2.745 N/A LEU 109.A N ASN 104.A O no hydrogen 2.660 N/A ALA 110.A N ASN 104.A O no hydrogen 3.261 N/A MET 113.A N ALA 110.A O no hydrogen 2.883 N/A ASN 116.A N MET 113.A O no hydrogen 2.839 N/A GLN 118.A N ASN 116.A OD1 no hydrogen 3.040 N/A GLN 120.A N ASN 116.A O no hydrogen 2.956 N/A GLN 120.A NE2 MET 113.A O no hydrogen 3.043 N/A ALA 121.A N PRO 117.A O no hydrogen 3.020 N/A ALA 122.A N GLN 118.A O no hydrogen 3.026 N/A LEU 123.A N GLY 119.A O no hydrogen 2.816 N/A LEU 124.A N GLN 120.A O no hydrogen 2.855 N/A ARG 125.A N GLU 128.A OE2 no hydrogen 2.721 N/A ARG 125.A NH2 ALA 92.A O no hydrogen 2.834 N/A ARG 125.A NH2 THR 101.A OG1 no hydrogen 3.305 N/A GLU 128.A N ARG 125.A O no hydrogen 2.858 N/A LEU 129.A N ARG 125.A O no hydrogen 3.122 N/A VAL 130.A N PRO 126.A O no hydrogen 3.048 N/A ALA 131.A N GLY 127.A O no hydrogen 3.180 N/A ILE 132.A N GLU 128.A O no hydrogen 2.796 N/A THR 133.A N LEU 129.A O no hydrogen 2.786 N/A THR 133.A OG1 LEU 48.A O no hydrogen 3.472 N/A THR 133.A OG1 LEU 129.A O no hydrogen 2.698 N/A ALA 134.A N VAL 130.A O no hydrogen 2.843 N/A SER 135.A N ALA 131.A O no hydrogen 2.861 N/A SER 135.A OG ALA 131.A O no hydrogen 2.981 N/A ALA 136.A N ILE 132.A O no hydrogen 2.952 N/A LEU 137.A N THR 133.A O no hydrogen 2.917 N/A GLN 138.A N ALA 134.A O no hydrogen 2.922 N/A ALA 139.A N SER 135.A O no hydrogen 2.936 N/A PHE 140.A N ALA 136.A O no hydrogen 2.977 N/A ARG 141.A N LEU 137.A O no hydrogen 2.991 N/A ARG 141.A NH1 GLN 138.A OE1 no hydrogen 2.467 N/A ARG 141.A NH2 GLU 41.A OE1 no hydrogen 2.900 N/A GLU 142.A N GLN 138.A O no hydrogen 2.941 N/A VAL 143.A N ALA 139.A O no hydrogen 3.040 N/A ALA 144.A N PHE 140.A O no hydrogen 2.902 N/A ARG 145.A N ARG 141.A O no hydrogen 2.736 N/A ARG 145.A NE GLU 142.A OE1 no hydrogen 2.961 N/A ARG 145.A NH2 GLU 142.A OE2 no hydrogen 2.672 N/A LEU 146.A N GLU 142.A O no hydrogen 2.966 N/A ALA 147.A N ALA 144.A O no hydrogen 3.372 N/A ASP 151.A N PRO 148.A O no hydrogen 3.157 N/A ILE 152.A N TRP 149.A O no hydrogen 3.373 N/A GLN 154.A N LYS 192.A O no hydrogen 2.939 N/A GLN 154.A NE2 GLU 158.A O no hydrogen 2.929 N/A GLY 155.A N GLU 158.A OE1 no hydrogen 3.025 N/A GLU 158.A N GLY 155.A O no hydrogen 3.104 N/A ASP 162.A N SER 159.A OG no hydrogen 3.271 N/A PHE 163.A N SER 159.A O no hydrogen 3.178 N/A ALA 164.A N PHE 160.A O no hydrogen 2.745 N/A ASN 165.A N VAL 161.A O no hydrogen 2.948 N/A ARG 166.A N ASP 162.A O no hydrogen 3.031 N/A ARG 166.A NE GLU 158.A OE2 no hydrogen 2.853 N/A ARG 166.A NH2 MET 153.A O no hydrogen 2.757 N/A ARG 166.A NH2 GLU 158.A OE1 no hydrogen 2.784 N/A ARG 166.A NH2 GLU 158.A OE2 no hydrogen 3.369 N/A LEU 167.A N PHE 163.A O no hydrogen 2.860 N/A ILE 168.A N ALA 164.A O no hydrogen 2.863 N/A LYS 169.A N ASN 165.A O no hydrogen 2.962 N/A ALA 170.A N ARG 166.A O no hydrogen 3.175 N/A VAL 171.A N LEU 167.A O no hydrogen 2.998 N/A GLU 172.A N ILE 168.A O no hydrogen 2.919 N/A GLY 173.A N LYS 169.A O no hydrogen 3.020 N/A SER 174.A N VAL 171.A O no hydrogen 3.125 N/A SER 174.A OG VAL 171.A O no hydrogen 2.796 N/A LEU 176.A N SER 174.A OG no hydrogen 3.134 N/A ALA 180.A N PRO 177.A O no hydrogen 2.859 N/A ARG 181.A N PRO 178.A O no hydrogen 3.235 N/A VAL 184.A N ALA 180.A O no hydrogen 3.094 N/A ILE 185.A N ARG 181.A O no hydrogen 2.817 N/A ILE 186.A N ALA 182.A O no hydrogen 2.956 N/A ASP 187.A N PRO 183.A O no hydrogen 3.001 N/A CYS 188.A N VAL 184.A O no hydrogen 3.064 N/A CYS 188.A SG VAL 184.A O no hydrogen 3.286 N/A PHE 189.A N ILE 185.A O no hydrogen 2.888 N/A ARG 190.A N ILE 186.A O no hydrogen 2.954 N/A ARG 190.A NH1 ILE 201.A O no hydrogen 3.013 N/A GLN 191.A N ASP 187.A O no hydrogen 3.021 N/A GLN 191.A N CYS 188.A O no hydrogen 3.250 N/A LYS 192.A N CYS 188.A O no hydrogen 2.693 N/A LYS 192.A NZ ALA 150.A O no hydrogen 2.682 N/A SER 193.A OG.A PHE 189.A O no hydrogen 2.723 N/A SER 193.A OG.B PHE 189.A O no hydrogen 2.540 N/A GLN 194.A N GLN 154.A OE1 no hydrogen 2.797 N/A GLN 194.A NE2 GLN 154.A O no hydrogen 2.917 N/A GLN 198.A N GLN 194.A O no hydrogen 2.936 N/A GLN 198.A NE2 SER 193.A O.A no hydrogen 2.755 N/A GLN 198.A NE2 SER 193.A O.B no hydrogen 3.010 N/A GLN 199.A N PRO 195.A O no hydrogen 3.108 N/A LEU 200.A N ASP 196.A O no hydrogen 3.111 N/A ILE 201.A N ILE 197.A O no hydrogen 2.967 N/A ARG 202.A N GLN 198.A O no hydrogen 2.960 N/A ARG 202.A NH1 GLN 199.A OE1 no hydrogen 3.073 N/A THR 203.A OG1 GLN 199.A O no hydrogen 3.458 N/A ALA 204.A N ILE 201.A O no hydrogen 3.086 N/A LEU 208.A N PRO 205.A O no hydrogen 3.315 N/A THR 209.A N GLU 213.A OE1 no hydrogen 2.818 N/A THR 210.A N GLU 213.A OE1 no hydrogen 3.183 N/A GLU 213.A N THR 210.A OG1 no hydrogen 3.064 N/A ILE 214.A N THR 210.A O no hydrogen 3.070 N/A ILE 215.A N PRO 211.A O no hydrogen 2.894 N/A LYS 216.A N GLY 212.A O no hydrogen 2.939 N/A LYS 216.A NZ ASP 220.A OD2 no hydrogen 2.661 N/A TYR 217.A N GLU 213.A O no hydrogen 3.106 N/A VAL 218.A N ILE 214.A O no hydrogen 2.984 N/A LEU 219.A N ILE 215.A O no hydrogen 2.799 N/A ASP 220.A N LYS 216.A O no hydrogen 2.825 N/A ARG 221.A N VAL 218.A O no hydrogen 2.876 N/A ARG 221.A NH1 TYR 217.A O no hydrogen 2.884 N/A GLN 222.A N LEU 219.A O no hydrogen 3.104 N/A