Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N THR 56.A O no hydrogen 2.608 N/A HIS 2.A NE2 GLU 29.A OE1 no hydrogen 2.906 N/A LYS 4.A N LYS 54.A O no hydrogen 2.883 N/A LYS 4.A NZ GLU 31.A OE2 no hydrogen 2.812 N/A VAL 5.A N GLU 29.A O no hydrogen 2.835 N/A ILE 6.A N ALA 52.A O no hydrogen 2.847 N/A TYR 7.A N GLU 31.A O no hydrogen 3.058 N/A GLY 10.A N PHE 8.A O no hydrogen 2.839 N/A ARG 11.A N PHE 208.A OXT no hydrogen 2.666 N/A ARG 11.A NE THR 206.A OG1 no hydrogen 3.241 N/A ARG 11.A NH1 ASP 169.A OD1 no hydrogen 2.706 N/A ARG 11.A NH1 ASP 169.A OD2 no hydrogen 3.330 N/A ARG 11.A NH1 THR 206.A O no hydrogen 2.876 N/A ARG 11.A NH2 ASP 169.A OD1 no hydrogen 3.040 N/A GLY 12.A N PHE 208.A O no hydrogen 2.782 N/A ARG 13.A N TYR 7.A OH no hydrogen 3.024 N/A ARG 13.A NH1 GLU 100.A OE1 no hydrogen 3.071 N/A ARG 13.A NH2 GLU 100.A OE1 no hydrogen 3.091 N/A ARG 13.A NH2 GLU 100.A OE2 no hydrogen 3.121 N/A ALA 14.A N ARG 11.A O no hydrogen 3.142 N/A GLU 15.A N ARG 11.A O no hydrogen 3.090 N/A ILE 17.A N ALA 14.A O no hydrogen 2.970 N/A ARG 18.A N ALA 14.A O no hydrogen 3.006 N/A ARG 18.A NE ASP 30.A OD1 no hydrogen 2.785 N/A ARG 18.A NH1 GLY 10.A O no hydrogen 3.273 N/A ARG 18.A NH2 GLY 10.A O no hydrogen 2.893 N/A ARG 18.A NH2 GLU 15.A OE1 no hydrogen 2.877 N/A MET 19.A N GLU 15.A O no hydrogen 2.829 N/A THR 20.A N SER 16.A O no hydrogen 3.072 N/A THR 20.A OG1 SER 16.A O no hydrogen 2.724 N/A LEU 21.A N ILE 17.A O no hydrogen 3.035 N/A VAL 22.A N ARG 18.A O no hydrogen 2.921 N/A ALA 23.A N MET 19.A O no hydrogen 2.843 N/A ALA 24.A N THR 20.A O no hydrogen 2.965 N/A GLY 25.A N VAL 22.A O no hydrogen 3.043 N/A VAL 26.A N LEU 21.A O no hydrogen 2.922 N/A GLU 29.A N ILE 3.A O no hydrogen 2.739 N/A GLU 31.A N VAL 5.A O no hydrogen 2.783 N/A ARG 32.A NE ASP 30.A OD2 no hydrogen 2.906 N/A ARG 32.A NH1 ASP 9.A OD1 no hydrogen 3.063 N/A ARG 32.A NH2 ASP 30.A OD2 no hydrogen 2.945 N/A ILE 33.A N TYR 7.A O no hydrogen 2.807 N/A SER 34.A OG GLN 36.A OE1 no hydrogen 3.413 N/A ASP 37.A N SER 34.A O no hydrogen 3.115 N/A ASP 37.A N SER 34.A OG no hydrogen 3.233 N/A TRP 38.A N SER 34.A O no hydrogen 3.173 N/A TRP 38.A N PHE 35.A O no hydrogen 3.348 N/A LYS 40.A N ASP 37.A O no hydrogen 3.045 N/A ILE 41.A N ASP 37.A O no hydrogen 3.189 N/A ILE 41.A N TRP 38.A O no hydrogen 2.869 N/A LYS 42.A N TRP 38.A O no hydrogen 2.677 N/A LYS 42.A NZ GLY 48.A O no hydrogen 2.759 N/A THR 44.A N ILE 41.A O no hydrogen 2.802 N/A THR 44.A OG1 ILE 41.A O no hydrogen 2.701 N/A ILE 45.A N LYS 42.A O no hydrogen 3.299 N/A GLY 48.A N ILE 45.A O no hydrogen 2.824 N/A ALA 52.A N ILE 6.A O no hydrogen 3.122 N/A VAL 53.A N MET 65.A O no hydrogen 2.891 N/A LYS 54.A N LYS 4.A O no hydrogen 2.842 N/A VAL 55.A N LYS 63.A O no hydrogen 2.759 N/A THR 56.A N HIS 2.A O no hydrogen 2.828 N/A ASP 57.A N HIS 61.A O no hydrogen 2.968 N/A LYS 63.A N VAL 55.A O no hydrogen 2.768 N/A MET 65.A N VAL 53.A O no hydrogen 2.829 N/A ILE 71.A N GLU 67.A O no hydrogen 2.889 N/A ALA 72.A N SER 68.A O no hydrogen 2.882 N/A ARG 73.A N LEU 69.A O no hydrogen 2.977 N/A ARG 73.A NE GLU 93.A OE2 no hydrogen 2.821 N/A ARG 73.A NH1 GLU 93.A OE1 no hydrogen 2.786 N/A ARG 73.A NH2 LEU 69.A O no hydrogen 3.551 N/A TYR 74.A N ALA 70.A O no hydrogen 3.030 N/A MET 75.A N ILE 71.A O no hydrogen 2.981 N/A ALA 76.A N ALA 72.A O no hydrogen 2.825 N/A LYS 77.A N ARG 73.A O no hydrogen 2.828 N/A LYS 78.A N TYR 74.A O no hydrogen 3.035 N/A HIS 79.A N MET 75.A O no hydrogen 3.139 N/A HIS 79.A N ALA 76.A O no hydrogen 3.080 N/A HIS 79.A ND1 MET 75.A O no hydrogen 3.109 N/A HIS 80.A N LYS 77.A O no hydrogen 3.192 N/A MET 81.A N ALA 76.A O no hydrogen 2.790 N/A GLU 84.A N GLU 88.A OE1 no hydrogen 2.795 N/A GLU 88.A N THR 85.A OG1 no hydrogen 3.085 N/A TYR 89.A N THR 85.A O no hydrogen 2.991 N/A TYR 90.A N ASP 86.A O no hydrogen 2.958 N/A SER 91.A N GLU 87.A O no hydrogen 3.070 N/A SER 91.A OG GLU 87.A O no hydrogen 3.205 N/A VAL 92.A N GLU 88.A O no hydrogen 2.858 N/A GLU 93.A N TYR 89.A O no hydrogen 2.961 N/A LYS 94.A N TYR 90.A O no hydrogen 2.720 N/A LEU 95.A N SER 91.A O no hydrogen 3.128 N/A ILE 96.A N VAL 92.A O no hydrogen 2.966 N/A GLY 97.A N GLU 93.A O no hydrogen 2.959 N/A GLN 98.A N LYS 94.A O no hydrogen 3.068 N/A ALA 99.A N LEU 95.A O no hydrogen 2.870 N/A GLU 100.A N ILE 96.A O no hydrogen 2.796 N/A ASP 101.A N GLY 97.A O no hydrogen 3.030 N/A VAL 102.A N GLN 98.A O no hydrogen 3.265 N/A GLU 103.A N ALA 99.A O no hydrogen 2.996 N/A HIS 104.A N GLU 100.A O no hydrogen 2.829 N/A GLU 105.A N ASP 101.A O no hydrogen 3.331 N/A TYR 106.A N VAL 102.A O no hydrogen 3.019 N/A HIS 107.A N GLU 103.A O no hydrogen 2.865 N/A LYS 108.A N GLU 105.A O no hydrogen 3.073 N/A LYS 108.A NZ GLU 105.A OE1 no hydrogen 2.944 N/A LYS 108.A NZ GLU 105.A OE2 no hydrogen 3.533 N/A THR 109.A N TYR 106.A O no hydrogen 2.977 N/A THR 109.A OG1 TYR 106.A O no hydrogen 2.592 N/A LEU 110.A N HIS 107.A O no hydrogen 3.251 N/A LYS 112.A NZ LYS 108.A O no hydrogen 2.447 N/A GLU 115.A N PRO 113.A O no hydrogen 2.675 N/A LYS 117.A N PRO 113.A O no hydrogen 2.979 N/A LYS 119.A N GLU 115.A O no hydrogen 3.251 N/A ILE 120.A N GLU 116.A O no hydrogen 2.778 N/A THR 121.A N LYS 117.A O no hydrogen 2.917 N/A THR 121.A OG1 LYS 117.A O no hydrogen 2.675 N/A LYS 122.A N GLU 118.A O no hydrogen 3.153 N/A GLU 123.A N LYS 119.A O no hydrogen 3.165 N/A ILE 124.A N ILE 120.A O no hydrogen 2.907 N/A LEU 125.A N THR 121.A O no hydrogen 2.970 N/A ASN 126.A N LYS 122.A O no hydrogen 3.082 N/A GLY 127.A N ILE 124.A O no hydrogen 3.381 N/A VAL 129.A N ILE 124.A O no hydrogen 2.973 N/A LEU 132.A N LYS 128.A O no hydrogen 2.908 N/A PHE 133.A N VAL 129.A O no hydrogen 2.821 N/A ASN 134.A N PRO 130.A O no hydrogen 3.002 N/A MET 135.A N VAL 131.A O no hydrogen 3.220 N/A ILE 136.A N LEU 132.A O no hydrogen 2.830 N/A CYS 137.A N PHE 133.A O no hydrogen 2.834 N/A CYS 137.A SG.A GLU 181.A OE1 no hydrogen 3.681 N/A CYS 137.A SG.B PHE 133.A O no hydrogen 3.045 N/A GLU 138.A N ASN 134.A O no hydrogen 3.005 N/A SER 139.A N MET 135.A O no hydrogen 2.874 N/A SER 139.A OG GLN 98.A OE1 no hydrogen 2.707 N/A SER 139.A OG MET 135.A O no hydrogen 3.354 N/A LEU 140.A N ILE 136.A O no hydrogen 2.849 N/A LYS 141.A N CYS 137.A O no hydrogen 2.910 N/A GLY 142.A N GLU 138.A O no hydrogen 3.037 N/A GLY 142.A N SER 139.A O no hydrogen 3.238 N/A SER 143.A N LEU 140.A O no hydrogen 3.061 N/A SER 143.A OG GLY 145.A O no hydrogen 3.265 N/A SER 143.A OG LEU 147.A O no hydrogen 2.791 N/A GLY 145.A N SER 143.A OG no hydrogen 3.076 N/A LYS 146.A N ASP 151.A OD2 no hydrogen 2.769 N/A LEU 147.A N GLY 150.A O no hydrogen 3.016 N/A ALA 148.A N ASP 157.A OD1 no hydrogen 2.833 N/A GLY 150.A N SER 143.A OG no hydrogen 3.026 N/A LYS 152.A NZ GLU 84.A OE1 no hydrogen 3.444 N/A LYS 152.A NZ GLU 84.A OE2 no hydrogen 3.431 N/A THR 154.A N ASP 157.A OD2 no hydrogen 2.853 N/A THR 154.A OG1 ASP 157.A OD2 no hydrogen 3.487 N/A LEU 155.A N MET 81.A O no hydrogen 2.915 N/A ASP 157.A N THR 154.A O no hydrogen 3.110 N/A LEU 158.A N LEU 155.A O no hydrogen 3.085 N/A VAL 159.A N LEU 155.A O no hydrogen 2.980 N/A LEU 160.A N ALA 156.A O no hydrogen 3.000 N/A ILE 161.A N ASP 157.A O no hydrogen 3.120 N/A ALA 162.A N LEU 158.A O no hydrogen 3.127 N/A VAL 163.A N VAL 159.A O no hydrogen 3.049 N/A ILE 164.A N LEU 160.A O no hydrogen 2.960 N/A ASP 165.A N ILE 161.A O no hydrogen 3.007 N/A HIS 166.A N ALA 162.A O no hydrogen 3.297 N/A HIS 166.A ND1 GLU 103.A OE1 no hydrogen 2.720 N/A HIS 166.A NE2 PHE 208.A O no hydrogen 2.697 N/A VAL 167.A N VAL 163.A O no hydrogen 2.988 N/A THR 168.A N ILE 164.A O no hydrogen 2.935 N/A THR 168.A OG1 ILE 164.A O no hydrogen 3.383 N/A THR 168.A OG1 ASP 165.A O no hydrogen 3.139 N/A ASP 169.A N ASP 165.A O no hydrogen 2.975 N/A LEU 170.A N HIS 166.A O no hydrogen 3.286 N/A LEU 170.A N VAL 167.A O no hydrogen 2.989 N/A ASP 171.A N VAL 167.A O no hydrogen 3.048 N/A GLY 173.A N ASP 171.A OD2 no hydrogen 2.917 N/A PHE 174.A N ASP 171.A O no hydrogen 3.033 N/A THR 176.A N GLY 173.A O no hydrogen 3.207 N/A LYS 178.A N LEU 175.A O no hydrogen 3.147 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.765 N/A ILE 182.A N TYR 179.A O no hydrogen 2.993 N/A HIS 183.A N TYR 179.A O no hydrogen 3.279 N/A HIS 183.A NE2 LEU 175.A O no hydrogen 2.761 N/A LYS 184.A N PRO 180.A O no hydrogen 2.850 N/A HIS 185.A N GLU 181.A O no hydrogen 2.958 N/A HIS 185.A NE2 ASP 157.A OD1 no hydrogen 2.725 N/A ARG 186.A N ILE 182.A O no hydrogen 3.211 N/A ARG 186.A NH1 ASP 165.A OD2 no hydrogen 2.930 N/A ARG 186.A NH2 ASP 165.A OD2 no hydrogen 3.161 N/A GLU 187.A N HIS 183.A O no hydrogen 3.002 N/A ASN 188.A N LYS 184.A O no hydrogen 2.815 N/A LEU 189.A N HIS 185.A O no hydrogen 2.816 N/A LEU 190.A N ARG 186.A O no hydrogen 2.942 N/A ALA 191.A N GLU 187.A O no hydrogen 2.986 N/A SER 192.A N ASN 188.A O no hydrogen 2.972 N/A SER 192.A N LEU 189.A O no hydrogen 3.054 N/A SER 192.A OG ASN 188.A O no hydrogen 2.838 N/A SER 193.A N LEU 189.A O no hydrogen 2.925 N/A ARG 195.A NH2 ALA 23.A O no hydrogen 3.136 N/A LEU 196.A N SER 193.A OG no hydrogen 3.205 N/A ALA 197.A N SER 193.A O no hydrogen 2.934 N/A LYS 198.A N PRO 194.A O no hydrogen 2.894 N/A TYR 199.A N ARG 195.A O no hydrogen 2.963 N/A TYR 199.A OH GLU 15.A OE1 no hydrogen 3.404 N/A TYR 199.A OH GLU 15.A OE2 no hydrogen 2.594 N/A LEU 200.A N LEU 196.A O no hydrogen 2.859 N/A SER 201.A N ALA 197.A O no hydrogen 3.127 N/A SER 201.A OG LYS 198.A O no hydrogen 2.951 N/A SER 201.A OG ASN 202.A OD1 no hydrogen 3.284 N/A ASN 202.A N LYS 198.A O no hydrogen 3.104 N/A ASN 202.A N TYR 199.A O no hydrogen 3.159 N/A ARG 203.A NH1 ASP 165.A OD1 no hydrogen 2.981 N/A ARG 203.A NH2 GLU 15.A OE2 no hydrogen 2.854 N/A THR 206.A OG1 PHE 208.A OXT no hydrogen 3.129 N/A