Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ASP 179.A OD1 no hydrogen 3.274 N/A ARG 2.A NH2 ASP 183.A OD1 no hydrogen 2.690 N/A GLN 5.A NE2 ARG 6.A O no hydrogen 3.019 N/A ARG 6.A N ASN 48.A O no hydrogen 3.120 N/A ARG 6.A NH1 ASN 193.A OD1 no hydrogen 2.881 N/A ARG 6.A NH2 GLN 5.A O no hydrogen 2.960 N/A TYR 7.A N ILE 197.A O no hydrogen 2.840 N/A ILE 8.A N ALA 50.A O no hydrogen 2.937 N/A GLU 9.A N ASP 93.A OD1 no hydrogen 2.808 N/A LEU 10.A N THR 52.A O no hydrogen 2.764 N/A ALA 11.A N HIS 94.A O no hydrogen 2.890 N/A ILE 12.A N LEU 55.A O no hydrogen 2.886 N/A VAL 13.A N GLN 96.A O no hydrogen 2.884 N/A VAL 14.A N ASP 57.A O no hydrogen 2.836 N/A ASP 15.A N LEU 98.A O no hydrogen 3.094 N/A HIS 16.A N ASP 63.A OD2 no hydrogen 2.797 N/A HIS 16.A ND1 TRP 59.A O no hydrogen 2.939 N/A MET 18.A N ASP 15.A OD2 no hydrogen 2.896 N/A TYR 19.A N ASP 15.A O no hydrogen 2.938 N/A THR 20.A N HIS 16.A O no hydrogen 2.922 N/A THR 20.A OG1 HIS 16.A O no hydrogen 2.914 N/A LYS 21.A N GLY 17.A O no hydrogen 2.931 N/A LYS 21.A NZ ASP 128.A OD1 no hydrogen 2.886 N/A TYR 22.A N MET 18.A O no hydrogen 3.097 N/A TYR 22.A OH ASP 128.A OD1 no hydrogen 2.543 N/A SER 23.A N THR 20.A O no hydrogen 2.984 N/A SER 24.A N TYR 19.A O no hydrogen 2.864 N/A ASN 25.A N TYR 22.A O no hydrogen 3.234 N/A ILE 29.A N ASN 25.A O no hydrogen 3.046 N/A ARG 30.A N PHE 26.A O no hydrogen 2.841 N/A LYS 31.A N LYS 27.A O no hydrogen 3.020 N/A ARG 32.A N LYS 28.A O no hydrogen 3.016 N/A ARG 32.A NE ASP 128.A OD2 no hydrogen 3.052 N/A ARG 32.A NH1 SER 131.A O no hydrogen 3.407 N/A ARG 32.A NH2 ASP 128.A OD2 no hydrogen 2.828 N/A ARG 32.A NH2 SER 130.A O no hydrogen 2.831 N/A VAL 33.A N ILE 29.A O no hydrogen 2.878 N/A HIS 34.A N ARG 30.A O no hydrogen 2.865 N/A GLN 35.A N LYS 31.A O no hydrogen 2.958 N/A MET 36.A N ARG 32.A O no hydrogen 2.930 N/A VAL 37.A N VAL 33.A O no hydrogen 2.924 N/A SER 38.A N HIS 34.A O no hydrogen 2.879 N/A SER 38.A OG HIS 34.A O no hydrogen 3.131 N/A ASN 39.A N GLN 35.A O no hydrogen 3.238 N/A ASN 39.A ND2 GLN 35.A O no hydrogen 3.049 N/A ILE 40.A N MET 36.A O no hydrogen 2.897 N/A ASN 41.A N VAL 37.A O no hydrogen 2.813 N/A GLU 42.A N SER 38.A O no hydrogen 3.011 N/A MET 43.A N ASN 39.A O no hydrogen 2.917 N/A CYS 44.A N ILE 40.A O no hydrogen 2.974 N/A CYS 44.A N ASN 41.A O no hydrogen 3.230 N/A CYS 44.A SG ILE 40.A O no hydrogen 3.530 N/A ARG 45.A N GLU 42.A O no hydrogen 3.161 N/A ARG 45.A NE GLU 42.A OE1 no hydrogen 2.881 N/A ARG 45.A NH2 GLU 42.A OE1 no hydrogen 3.449 N/A ARG 45.A NH2 GLU 42.A OE2 no hydrogen 2.771 N/A LEU 47.A N CYS 44.A O no hydrogen 2.887 N/A ASN 48.A N ARG 45.A O no hydrogen 2.947 N/A ASN 48.A ND2 PHE 3.A O no hydrogen 2.910 N/A ILE 49.A N CYS 44.A O no hydrogen 3.364 N/A ALA 50.A N ARG 6.A O no hydrogen 3.000 N/A ILE 51.A N ASN 41.A OD1 no hydrogen 3.086 N/A THR 52.A N ILE 8.A O no hydrogen 3.054 N/A ALA 54.A N LEU 10.A O no hydrogen 2.732 N/A LEU 55.A N LEU 10.A O no hydrogen 3.265 N/A ASP 57.A N ILE 12.A O no hydrogen 2.919 N/A TRP 59.A N VAL 14.A O no hydrogen 2.819 N/A TRP 59.A NE1 ASP 57.A OD2 no hydrogen 2.958 N/A SER 60.A N VAL 58.A O no hydrogen 2.889 N/A GLN 68.A N THR 74.A OG1 no hydrogen 3.121 N/A GLN 68.A NE2 THR 66.A O no hydrogen 3.351 N/A THR 73.A N ASP 70.A OD2 no hydrogen 2.905 N/A THR 73.A OG1 ASP 70.A OD2 no hydrogen 2.580 N/A THR 74.A N ASP 70.A O no hydrogen 3.066 N/A THR 74.A OG1 GLN 68.A O no hydrogen 3.018 N/A THR 74.A OG1 ASP 70.A O no hydrogen 3.198 N/A ALA 75.A N ALA 71.A O no hydrogen 2.802 N/A GLY 76.A N PRO 72.A O no hydrogen 3.026 N/A LEU 77.A N THR 73.A O no hydrogen 3.077 N/A PHE 78.A N THR 74.A O no hydrogen 2.825 N/A GLY 79.A N ALA 75.A O no hydrogen 2.821 N/A ASP 80.A N GLY 76.A O no hydrogen 3.051 N/A TRP 81.A N LEU 77.A O no hydrogen 3.059 N/A ARG 82.A N PHE 78.A O no hydrogen 2.777 N/A ARG 82.A NE HIS 92.A NE2 no hydrogen 2.929 N/A ARG 82.A NH1 ASP 118.A O no hydrogen 2.914 N/A ARG 82.A NH1 GLU 119.A O no hydrogen 2.954 N/A GLU 83.A N GLY 79.A O no hydrogen 3.003 N/A ARG 84.A N ASP 80.A O no hydrogen 2.968 N/A VAL 85.A N TRP 81.A O no hydrogen 2.688 N/A LEU 86.A N TRP 81.A O no hydrogen 3.291 N/A LEU 87.A N ARG 82.A O no hydrogen 2.879 N/A LYS 88.A N VAL 85.A O no hydrogen 3.074 N/A LYS 88.A NZ GLU 83.A O no hydrogen 2.992 N/A LYS 89.A N LEU 86.A O no hydrogen 2.980 N/A LYS 90.A N LEU 86.A O no hydrogen 3.274 N/A LYS 90.A NZ ALA 54.A O no hydrogen 2.736 N/A HIS 92.A ND1 LYS 90.A O no hydrogen 2.855 N/A ASP 93.A N GLU 9.A O no hydrogen 2.844 N/A ALA 95.A N SER 122.A O no hydrogen 2.991 N/A GLN 96.A N ALA 11.A O no hydrogen 2.926 N/A GLN 96.A NE2 MET 140.A O no hydrogen 3.079 N/A LEU 97.A N ALA 124.A O no hydrogen 3.000 N/A LEU 98.A N VAL 13.A O no hydrogen 2.789 N/A THR 99.A N VAL 126.A O no hydrogen 3.038 N/A THR 99.A OG1 ASP 15.A OD1 no hydrogen 2.454 N/A THR 99.A OG1 THR 101.A OG1 no hydrogen 2.766 N/A THR 101.A N THR 99.A OG1 no hydrogen 3.041 N/A THR 101.A OG1 THR 99.A OG1 no hydrogen 2.766 N/A PHE 103.A N THR 101.A O no hydrogen 2.990 N/A ALA 104.A N ALA 69.A O no hydrogen 2.670 N/A ARG 105.A NH1 ASP 70.A OD1 no hydrogen 2.819 N/A ARG 105.A NH2 ASP 70.A OD1 no hydrogen 2.847 N/A THR 107.A N ALA 104.A O no hydrogen 3.183 N/A THR 107.A OG1 ALA 104.A O no hydrogen 2.824 N/A THR 107.A OG1 ARG 105.A O no hydrogen 3.553 N/A TRP 110.A N VAL 125.A O no hydrogen 2.893 N/A GLY 114.A N HIS 146.A O no hydrogen 2.780 N/A MET 116.A N ASN 147.A O no hydrogen 3.030 N/A CYS 117.A N SER 122.A OG no hydrogen 3.029 N/A ASP 118.A N ARG 115.A O no hydrogen 2.939 N/A LYS 120.A N ASP 118.A OD1 no hydrogen 2.850 N/A LYS 120.A NZ ASP 80.A OD2 no hydrogen 2.892 N/A TYR 121.A N ASP 118.A OD1 no hydrogen 2.881 N/A SER 122.A N ASP 118.A O no hydrogen 3.121 N/A SER 122.A OG ASP 93.A O no hydrogen 2.629 N/A SER 122.A OG ASN 147.A OD1 no hydrogen 3.243 N/A ALA 124.A N ALA 95.A O no hydrogen 3.075 N/A VAL 125.A N TRP 110.A O no hydrogen 2.875 N/A VAL 126.A N LEU 97.A O no hydrogen 2.779 N/A LYS 127.A N ILE 108.A O no hydrogen 2.845 N/A ASP 128.A N THR 99.A O no hydrogen 2.743 N/A HIS 129.A NE2 THR 139.A OG1 no hydrogen 2.910 N/A LYS 132.A N SER 130.A OG no hydrogen 2.972 N/A MET 135.A N LYS 132.A O no hydrogen 3.035 N/A VAL 136.A N LYS 132.A O no hydrogen 3.417 N/A ALA 137.A N VAL 133.A O no hydrogen 2.864 N/A VAL 138.A N PHE 134.A O no hydrogen 2.812 N/A THR 139.A OG1 HIS 129.A NE2 no hydrogen 2.910 N/A THR 139.A OG1 MET 135.A O no hydrogen 2.834 N/A MET 140.A N VAL 136.A O no hydrogen 2.896 N/A THR 141.A N ALA 137.A O no hydrogen 2.918 N/A THR 141.A OG1 ALA 137.A O no hydrogen 2.857 N/A HIS 142.A N VAL 138.A O no hydrogen 2.879 N/A HIS 142.A ND1 ILE 164.A O no hydrogen 2.747 N/A GLU 143.A N THR 139.A O no hydrogen 2.989 N/A LEU 144.A N MET 140.A O no hydrogen 2.931 N/A GLY 145.A N THR 141.A O no hydrogen 2.792 N/A HIS 146.A N HIS 142.A O no hydrogen 3.003 N/A HIS 146.A ND1 MET 150.A O no hydrogen 2.813 N/A ASN 147.A N GLU 143.A O no hydrogen 3.003 N/A ASN 147.A ND2 TYR 112.A O no hydrogen 2.808 N/A ASN 147.A ND2 TYR 121.A O no hydrogen 3.114 N/A LEU 148.A N LEU 144.A O no hydrogen 2.895 N/A LEU 148.A N GLY 145.A O no hydrogen 2.981 N/A GLY 149.A N HIS 146.A O no hydrogen 2.900 N/A MET 150.A N GLY 145.A O no hydrogen 2.962 N/A ASP 153.A N MET 165.A O no hydrogen 2.903 N/A LYS 155.A NZ ASP 161.A OD1 no hydrogen 2.355 N/A ASP 156.A N ASP 154.A OD1 no hydrogen 2.929 N/A LYS 157.A N ASP 154.A O no hydrogen 2.937 N/A LYS 157.A N ASP 154.A OD1 no hydrogen 3.286 N/A CYS 158.A N ASP 154.A O no hydrogen 2.951 N/A CYS 158.A SG ASP 154.A O no hydrogen 3.943 N/A CYS 158.A SG SER 178.A OG no hydrogen 3.594 N/A LYS 159.A NZ LYS 155.A O no hydrogen 2.832 N/A ILE 164.A N LEU 176.A O no hydrogen 2.854 N/A SER 166.A N CYS 163.A O no hydrogen 2.949 N/A SER 166.A OG VAL 168.A O no hydrogen 3.036 N/A SER 170.A N GLN 173.A OE1 no hydrogen 3.302 N/A LYS 172.A N SER 170.A OG no hydrogen 3.180 N/A GLN 173.A N SER 170.A O no hydrogen 3.068 N/A GLN 173.A NE2 CYS 163.A O no hydrogen 2.937 N/A GLN 173.A NE2 SER 174.A O no hydrogen 3.320 N/A SER 174.A N THR 162.A O no hydrogen 2.838 N/A LYS 175.A NZ GLU 42.A OE2 no hydrogen 2.796 N/A LEU 176.A N SER 174.A OG no hydrogen 3.117 N/A SER 178.A OG ASP 153.A OD1 no hydrogen 2.563 N/A SER 178.A OG SER 181.A OG no hydrogen 3.285 N/A CYS 180.A SG ASP 154.A O no hydrogen 3.553 N/A SER 181.A N SER 178.A OG no hydrogen 2.951 N/A SER 181.A OG ASP 153.A OD1 no hydrogen 3.388 N/A SER 181.A OG SER 178.A OG no hydrogen 3.285 N/A LYS 182.A N SER 178.A O no hydrogen 3.007 N/A ASP 183.A N ASP 179.A O no hydrogen 2.911 N/A TYR 184.A N CYS 180.A O no hydrogen 2.948 N/A TYR 185.A N SER 181.A O no hydrogen 2.906 N/A GLN 186.A N LYS 182.A O no hydrogen 2.912 N/A THR 187.A N ASP 183.A O no hydrogen 2.993 N/A THR 187.A OG1 ASP 183.A O no hydrogen 3.232 N/A PHE 188.A N TYR 184.A O no hydrogen 2.914 N/A LEU 189.A N TYR 185.A O no hydrogen 2.917 N/A THR 190.A N GLN 186.A O no hydrogen 2.942 N/A THR 190.A OG1 GLN 186.A O no hydrogen 3.077 N/A THR 190.A OG1 GLN 186.A OE1 no hydrogen 3.028 N/A ASN 191.A N THR 187.A O no hydrogen 2.826 N/A ASP 192.A N PHE 188.A O no hydrogen 2.810 N/A ASN 193.A N PHE 188.A O no hydrogen 3.001 N/A GLN 195.A NE2 ASN 199.A OD1 no hydrogen 2.735 N/A CYS 196.A SG ASP 93.A OD2 no hydrogen 3.144 N/A LEU 198.A N GLN 195.A O no hydrogen 2.999 N/A