Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5xka_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N TYR 24.A OH no hydrogen 3.018 N/A GLY 5.A N VAL 13.A O no hydrogen 2.842 N/A VAL 6.A N ALA 3.A O no hydrogen 3.206 N/A PHE 8.A N TYR 11.A O no hydrogen 2.768 N/A TYR 11.A N PHE 8.A O no hydrogen 2.956 N/A THR 12.A N GLN 27.A O no hydrogen 2.806 N/A VAL 13.A N VAL 6.A O no hydrogen 2.928 N/A VAL 14.A N LEU 25.A O no hydrogen 2.731 N/A ARG 15.A N LEU 25.A O no hydrogen 3.385 N/A CYS 18.A SG.B GLY 17.A O no hydrogen 3.120 N/A CYS 18.A SG.B GLY 21.A O no hydrogen 3.656 N/A SER 19.A N GLY 21.A O no hydrogen 3.079 N/A GLU 22.A N VAL 39.A O no hydrogen 3.036 N/A VAL 23.A N GLY 17.A O no hydrogen 2.940 N/A TYR 24.A N LEU 37.A O no hydrogen 2.777 N/A LEU 25.A N ARG 15.A O no hydrogen 2.773 N/A VAL 26.A N GLN 35.A O no hydrogen 2.940 N/A GLN 27.A N THR 12.A O no hydrogen 3.043 N/A GLN 27.A NE2 GLY 33.A O no hydrogen 2.919 N/A GLY 30.A N HIS 28.A ND1 no hydrogen 2.847 N/A PHE 31.A N HIS 28.A O no hydrogen 3.137 N/A GLN 35.A N VAL 26.A O no hydrogen 2.959 N/A GLN 35.A NE2 PRO 32.A O no hydrogen 3.583 N/A LEU 37.A N TYR 24.A O no hydrogen 2.824 N/A LYS 38.A N ILE 83.A O no hydrogen 2.821 N/A LYS 38.A NZ ASP 148.A OD2 no hydrogen 2.942 N/A VAL 39.A N GLU 22.A O no hydrogen 2.878 N/A LEU 40.A N LEU 81.A O no hydrogen 2.908 N/A ALA 45.A N PRO 42.A O no hydrogen 2.996 N/A ALA 45.A N ALA 43.A O no hydrogen 3.254 N/A PHE 49.A N ASP 46.A OD1 no hydrogen 3.023 N/A ARG 50.A N ASP 46.A O no hydrogen 2.798 N/A ARG 50.A NH1 ALA 44.A O no hydrogen 2.845 N/A ARG 50.A NH1 ASP 47.A OD1 no hydrogen 2.989 N/A ARG 50.A NH2 ASP 47.A OD1 no hydrogen 2.896 N/A ARG 51.A N ASP 47.A O no hydrogen 2.915 N/A ARG 52.A N GLU 48.A O no hydrogen 3.039 N/A ARG 52.A NH1 GLU 56.A OE1 no hydrogen 3.063 N/A ARG 52.A NH1 GLY 150.A O no hydrogen 3.004 N/A ARG 52.A NH2 GLY 150.A O no hydrogen 3.488 N/A PHE 53.A N PHE 49.A O no hydrogen 2.796 N/A GLN 54.A N ARG 50.A O no hydrogen 2.944 N/A ARG 55.A N ARG 51.A O no hydrogen 2.992 N/A GLU 56.A N ARG 52.A O no hydrogen 2.909 N/A GLU 56.A N PHE 53.A O no hydrogen 3.237 N/A THR 57.A OG1 PHE 53.A O no hydrogen 3.003 N/A ALA 60.A N GLU 56.A O no hydrogen 2.841 N/A ALA 61.A N THR 57.A O no hydrogen 2.910 N/A ARG 62.A N VAL 59.A O no hydrogen 3.011 N/A ARG 62.A NH2 GLU 58.A O no hydrogen 2.859 N/A PHE 64.A N TYR 121.A OH no hydrogen 2.941 N/A HIS 67.A N HIS 65.A ND1 no hydrogen 2.990 N/A HIS 67.A ND1 ILE 144.A O no hydrogen 2.851 N/A ILE 68.A N HIS 65.A O no hydrogen 3.124 N/A LEU 69.A N LEU 146.A O no hydrogen 3.015 N/A HIS 72.A N ALA 84.A O no hydrogen 2.710 N/A HIS 72.A NE2 ASP 85.A OD1 no hydrogen 2.581 N/A ASP 73.A N ALA 84.A O no hydrogen 3.459 N/A ARG 74.A N ASP 73.A OD1 no hydrogen 2.970 N/A ARG 74.A NE THR 57.A OG1 no hydrogen 2.941 N/A ARG 74.A NH2 PHE 53.A O no hydrogen 2.874 N/A ARG 74.A NH2 THR 57.A OG1 no hydrogen 3.295 N/A GLY 75.A N TRP 82.A O no hydrogen 3.056 N/A PHE 77.A N GLN 80.A O no hydrogen 2.843 N/A GLN 80.A N PHE 77.A O no hydrogen 2.910 N/A TRP 82.A N GLY 75.A O no hydrogen 2.916 N/A ILE 83.A N LYS 38.A O no hydrogen 2.875 N/A ALA 84.A N ASP 73.A O no hydrogen 2.908 N/A ASP 85.A N GLU 70.A O no hydrogen 2.891 N/A ILE 90.A N LEU 139.A O no hydrogen 3.052 N/A ALA 92.A N PRO 134.A O no hydrogen 3.312 N/A ALA 92.A N VAL 137.A O no hydrogen 2.878 N/A GLN 94.A N ASP 91.A OD1 no hydrogen 2.744 N/A GLN 94.A NE2.A GLN 94.A O no hydrogen 2.780 N/A GLN 94.A NE2.A ASP 97.A OD1.B no hydrogen 2.723 N/A HIS 95.A N ASP 91.A O no hydrogen 3.008 N/A HIS 95.A NE2 GLU 107.A OE2 no hydrogen 3.045 N/A ASP 97.A N.A GLN 94.A O no hydrogen 2.857 N/A ASP 97.A N.B GLN 94.A O no hydrogen 2.799 N/A ARG 98.A N HIS 95.A O no hydrogen 3.201 N/A ARG 98.A NH1 GLU 107.A OE1 no hydrogen 3.014 N/A ARG 98.A NH1 GLU 107.A OE2 no hydrogen 3.038 N/A ARG 98.A NH2 GLU 107.A OE1 no hydrogen 3.165 N/A ALA 101.A N ARG 98.A O no hydrogen 2.982 N/A VAL 108.A N PRO 104.A O no hydrogen 3.051 N/A LEU 109.A N VAL 105.A O no hydrogen 2.899 N/A ALA 110.A N GLY 106.A O no hydrogen 2.904 N/A ILE 111.A N GLU 107.A O no hydrogen 3.089 N/A VAL 112.A N VAL 108.A O no hydrogen 2.892 N/A THR 113.A N LEU 109.A O no hydrogen 2.832 N/A THR 113.A OG1 LEU 109.A O no hydrogen 2.716 N/A ALA 114.A N ALA 110.A O no hydrogen 2.974 N/A VAL 115.A N ILE 111.A O no hydrogen 2.913 N/A ALA 116.A N VAL 112.A O no hydrogen 2.885 N/A GLY 117.A N THR 113.A O no hydrogen 3.152 N/A ALA 118.A N ALA 114.A O no hydrogen 3.055 N/A LEU 119.A N VAL 115.A O no hydrogen 2.835 N/A ASP 120.A N ALA 116.A O no hydrogen 2.938 N/A TYR 121.A N GLY 117.A O no hydrogen 3.017 N/A ALA 122.A N ALA 118.A O no hydrogen 3.073 N/A HIS 123.A N LEU 119.A O no hydrogen 2.836 N/A HIS 123.A NE2 ASP 173.A OD2 no hydrogen 2.809 N/A GLN 124.A N ASP 120.A O no hydrogen 3.054 N/A ARG 125.A N ALA 122.A O no hydrogen 3.004 N/A ARG 125.A NH1 TYR 121.A O no hydrogen 2.969 N/A GLY 126.A N HIS 123.A O no hydrogen 2.951 N/A LEU 127.A N ALA 122.A O no hydrogen 3.034 N/A HIS 129.A N ASP 173.A OD2 no hydrogen 2.826 N/A HIS 129.A NE2 ALA 147.A O no hydrogen 2.789 N/A ARG 130.A N ASP 173.A OD1 no hydrogen 2.899 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 2.980 N/A ASN 133.A ND2 ASP 131.A OD1 no hydrogen 3.060 N/A ALA 135.A N ASN 133.A OD1 no hydrogen 2.785 N/A ASN 136.A N ASN 133.A O no hydrogen 3.039 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.848 N/A VAL 137.A N PRO 134.A O no hydrogen 3.114 N/A VAL 138.A N LEU 145.A O no hydrogen 2.762 N/A LEU 139.A N ILE 90.A O no hydrogen 2.709 N/A THR 140.A N ARG 143.A O no hydrogen 3.069 N/A SER 141.A N ASP 88.A O no hydrogen 3.182 N/A ARG 143.A N THR 140.A OG1 no hydrogen 2.859 N/A LEU 145.A N VAL 138.A O no hydrogen 2.848 N/A LEU 146.A N HIS 67.A O no hydrogen 2.787 N/A ALA 147.A N ASN 136.A O no hydrogen 2.888 N/A GLY 150.A N HIS 129.A O no hydrogen 2.835 N/A GLN 154.A NE2 ARG 193.A O no hydrogen 3.367 N/A SER 156.A N ASP 131.A OD1 no hydrogen 2.867 N/A TYR 157.A OH HIS 183.A ND1 no hydrogen 2.662 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.799 N/A SER 163.A N ALA 159.A O no hydrogen 3.099 N/A SER 163.A OG ALA 159.A O no hydrogen 3.530 N/A SER 163.A OG PRO 160.A O no hydrogen 2.769 N/A ALA 164.A N PRO 160.A O no hydrogen 2.848 N/A GLY 165.A N LEU 162.A O no hydrogen 3.222 N/A ALA 166.A N GLU 161.A O no hydrogen 3.033 N/A ARG 171.A N ASP 169.A OD1 no hydrogen 2.925 N/A ARG 171.A NH1 PRO 226.A O no hydrogen 2.937 N/A ALA 172.A N ASP 169.A O no hydrogen 3.006 N/A GLN 174.A N GLY 170.A O no hydrogen 3.083 N/A GLN 174.A NE2 PHE 230.A O no hydrogen 2.979 N/A TYR 175.A N ARG 171.A O no hydrogen 3.062 N/A ALA 176.A N ALA 172.A O no hydrogen 3.251 N/A LEU 177.A N ASP 173.A O no hydrogen 2.792 N/A ALA 178.A N GLN 174.A O no hydrogen 2.979 N/A LEU 179.A N TYR 175.A O no hydrogen 3.149 N/A THR 180.A N ALA 176.A O no hydrogen 2.834 N/A THR 180.A OG1 ALA 176.A O no hydrogen 2.882 N/A ALA 181.A N LEU 177.A O no hydrogen 2.823 N/A ILE 182.A N ALA 178.A O no hydrogen 3.056 N/A HIS 183.A N LEU 179.A O no hydrogen 2.896 N/A LEU 184.A N THR 180.A O no hydrogen 2.905 N/A PHE 185.A N ALA 181.A O no hydrogen 2.869 N/A ALA 186.A N ILE 182.A O no hydrogen 2.859 N/A GLY 187.A N HIS 183.A O no hydrogen 2.777 N/A HIS 195.A N ASP 192.A O no hydrogen 3.076 N/A LEU 204.A N ASP 215.A OD1 no hydrogen 2.769 N/A SER 205.A N ASP 215.A OD2 no hydrogen 2.861 N/A SER 205.A OG ASP 215.A OD2 no hydrogen 3.554 N/A ALA 206.A N LYS 203.A O no hydrogen 2.890 N/A PHE 207.A N LYS 203.A O no hydrogen 3.085 N/A ARG 208.A N LEU 204.A O no hydrogen 2.778 N/A ARG 208.A NH1 LEU 103.A O no hydrogen 2.958 N/A ARG 208.A NH1 PHE 185.A O no hydrogen 2.891 N/A ARG 208.A NH2 LEU 103.A O no hydrogen 2.733 N/A LEU 211.A N ARG 208.A O no hydrogen 2.970 N/A ALA 212.A N PRO 209.A O no hydrogen 3.125 N/A ARG 213.A NE GLN 242.A O no hydrogen 2.860 N/A ARG 213.A NH1 ASP 210.A O no hydrogen 2.994 N/A ARG 213.A NH2 ALA 243.A O no hydrogen 2.912 N/A LEU 214.A N LEU 211.A O no hydrogen 2.984 N/A ASP 215.A N ALA 212.A O no hydrogen 3.065 N/A LEU 218.A N LEU 214.A O no hydrogen 3.140 N/A SER 219.A N ASP 215.A O no hydrogen 2.887 N/A ARG 220.A N GLY 216.A O no hydrogen 3.224 N/A ARG 220.A N VAL 217.A O no hydrogen 3.134 N/A ARG 220.A NE ASP 228.A O no hydrogen 3.049 N/A ARG 220.A NH2 ARG 229.A O no hydrogen 3.058 N/A ALA 221.A N VAL 217.A O no hydrogen 3.154 N/A LEU 222.A N LEU 218.A O no hydrogen 3.025 N/A ALA 223.A N ARG 220.A O no hydrogen 3.142 N/A ASP 228.A N ALA 225.A O no hydrogen 2.955 N/A ARG 229.A N PRO 226.A O no hydrogen 3.007 N/A ARG 229.A NE ALA 223.A O no hydrogen 2.780 N/A ARG 229.A NH1 GLU 161.A OE2 no hydrogen 2.761 N/A ARG 229.A NH1 ARG 171.A O no hydrogen 2.853 N/A ARG 229.A NH2 GLU 161.A OE1 no hydrogen 2.898 N/A ARG 229.A NH2 ALA 223.A O no hydrogen 3.072 N/A ARG 229.A NH2 THR 224.A O no hydrogen 3.144 N/A PHE 230.A N GLN 174.A OE1 no hydrogen 2.922 N/A SER 232.A OG ASP 120.A OD2 no hydrogen 3.474 N/A SER 232.A OG GLU 235.A OE2 no hydrogen 2.772 N/A CYS 233.A N ASP 120.A OD1 no hydrogen 2.893 N/A ARG 234.A N ASP 120.A OD2 no hydrogen 2.880 N/A ARG 234.A NE ASP 120.A OD2 no hydrogen 3.072 N/A GLU 235.A N SER 232.A OG no hydrogen 3.064 N/A PHE 236.A N SER 232.A O no hydrogen 3.220 N/A ALA 237.A N CYS 233.A O no hydrogen 2.887 N/A ASP 238.A N ARG 234.A O no hydrogen 2.943 N/A ALA 239.A N GLU 235.A O no hydrogen 3.145 N/A ASN 240.A ND2 THR 113.A OG1 no hydrogen 2.982 N/A GLU 241.A N ASP 238.A O no hydrogen 2.845 N/A GLN 242.A N ALA 239.A O no hydrogen 3.029 N/A GLY 244.A N ASN 240.A O no hydrogen 3.031 N/A ALA 246.A N ALA 243.A O no hydrogen 3.291 N/A ILE 247.A N GLY 244.A O no hydrogen 3.090 N/A ALA 248.A N VAL 245.A O no hydrogen 3.047 N/A