Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wk5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLU 48.A OE1 no hydrogen 2.951 N/A LYS 4.A NZ GLU 8.A OE2 no hydrogen 2.691 N/A GLU 5.A N SER 1.A O no hydrogen 3.002 N/A THR 6.A N MET 2.A O no hydrogen 3.045 N/A THR 6.A OG1 MET 2.A O no hydrogen 3.288 N/A ILE 7.A N LYS 3.A O no hydrogen 3.029 N/A GLU 8.A N LYS 4.A O no hydrogen 2.834 N/A ARG 9.A N GLU 5.A O no hydrogen 2.899 N/A ARG 10.A N THR 6.A O no hydrogen 3.086 N/A ARG 10.A NH1 GLU 55.A OE2 no hydrogen 3.493 N/A ARG 10.A NH1 ASP 59.A OD1 no hydrogen 2.697 N/A ARG 10.A NH2 GLU 55.A OE1 no hydrogen 3.033 N/A ARG 10.A NH2 GLU 55.A OE2 no hydrogen 2.845 N/A ILE 11.A N ILE 7.A O no hydrogen 2.933 N/A GLU 12.A N.A GLU 8.A O no hydrogen 3.060 N/A GLU 12.A N.B GLU 8.A O no hydrogen 3.052 N/A GLU 13.A N ARG 9.A O no hydrogen 3.221 N/A LEU 14.A N ARG 10.A O no hydrogen 3.204 N/A VAL 15.A N ILE 11.A O no hydrogen 3.211 N/A LYS 16.A N GLU 12.A O.A no hydrogen 3.098 N/A LYS 16.A N GLU 12.A O.B no hydrogen 3.044 N/A HIS 18.A N GLU 24.A OE2 no hydrogen 2.778 N/A PHE 19.A N GLU 24.A OE1 no hydrogen 2.936 N/A PHE 19.A N GLU 24.A OE2 no hydrogen 3.210 N/A LEU 21.A N GLU 24.A OE1 no hydrogen 2.997 N/A SER 25.A N LEU 21.A O no hydrogen 3.135 N/A ALA 26.A N LEU 22.A O no hydrogen 2.842 N/A MET 27.A N THR 23.A O no hydrogen 2.991 N/A GLN 28.A N GLU 24.A O no hydrogen 3.003 N/A GLN 28.A NE2 GLU 12.A OE1.B no hydrogen 3.560 N/A GLN 28.A NE2 GLU 12.A OE2.B no hydrogen 2.495 N/A TYR 29.A N SER 25.A O no hydrogen 2.824 N/A TYR 29.A OH PRO 90.A O no hydrogen 2.713 N/A SER 30.A N ALA 26.A O no hydrogen 3.054 N/A SER 30.A OG ALA 26.A O no hydrogen 3.563 N/A VAL 31.A N MET 27.A O no hydrogen 3.236 N/A THR 32.A N GLN 28.A O no hydrogen 2.813 N/A THR 32.A OG1 GLU 12.A OE1.A no hydrogen 3.437 N/A THR 32.A OG1 GLU 12.A OE2.A no hydrogen 2.838 N/A THR 32.A OG1 GLN 28.A O no hydrogen 2.830 N/A ALA 33.A N TYR 29.A O no hydrogen 2.878 N/A GLY 34.A N VAL 31.A O no hydrogen 3.116 N/A ARG 37.A NE GLU 8.A OE1 no hydrogen 3.480 N/A ARG 37.A NE GLU 8.A OE2 no hydrogen 2.791 N/A ARG 37.A NH1 GLU 65.A OE2 no hydrogen 2.839 N/A ARG 37.A NH2 GLU 8.A OE1 no hydrogen 2.962 N/A ARG 37.A NH2 GLU 8.A OE2 no hydrogen 3.534 N/A ARG 37.A NH2 VAL 31.A O no hydrogen 2.853 N/A LEU 41.A N ARG 37.A O no hydrogen 3.079 N/A LEU 42.A N ILE 38.A O no hydrogen 2.899 N/A VAL 43.A N ARG 39.A O no hydrogen 3.075 N/A LEU 44.A N PRO 40.A O no hydrogen 3.027 N/A THR 45.A N LEU 41.A O no hydrogen 2.884 N/A THR 45.A OG1 LEU 42.A O no hydrogen 3.216 N/A THR 45.A OG1 THR 246.A OG1 no hydrogen 3.217 N/A VAL 46.A N LEU 42.A O no hydrogen 2.906 N/A GLY 47.A N VAL 43.A O no hydrogen 2.956 N/A GLU 48.A N LEU 44.A O no hydrogen 2.917 N/A ASP 49.A N THR 45.A O no hydrogen 2.943 N/A ILE 50.A N VAL 46.A O no hydrogen 3.161 N/A ILE 50.A N GLY 47.A O no hydrogen 3.314 N/A GLY 51.A N GLU 48.A O no hydrogen 3.347 N/A VAL 52.A N GLY 47.A O no hydrogen 2.845 N/A GLU 53.A N GLU 53.A OE1 no hydrogen 2.505 N/A ARG 56.A NE.B VAL 119.A O no hydrogen 2.857 N/A ARG 56.A NH1.A VAL 119.A O no hydrogen 3.565 N/A ARG 56.A NH1.A GLU 121.A OE2.A no hydrogen 2.667 N/A ARG 56.A NH1.A GLU 121.A OE2.B no hydrogen 2.010 N/A ARG 56.A NH1.B VAL 119.A O no hydrogen 2.988 N/A ARG 56.A NH2.A GLU 53.A OE2 no hydrogen 2.759 N/A ARG 56.A NH2.A LEU 179.A O no hydrogen 3.231 N/A LEU 57.A N GLU 53.A O no hydrogen 3.426 N/A VAL 58.A N GLU 54.A O no hydrogen 2.794 N/A ASP 59.A N GLU 55.A O no hydrogen 3.193 N/A VAL 60.A N ARG 56.A O.A no hydrogen 3.283 N/A VAL 60.A N ARG 56.A O.B no hydrogen 3.223 N/A ALA 61.A N LEU 57.A O no hydrogen 2.864 N/A VAL 62.A N VAL 58.A O no hydrogen 2.889 N/A ALA 63.A N ASP 59.A O no hydrogen 2.985 N/A VAL 64.A N VAL 60.A O no hydrogen 2.955 N/A GLU 65.A N ALA 61.A O no hydrogen 3.103 N/A LEU 66.A N VAL 62.A O no hydrogen 2.775 N/A PHE 67.A N ALA 63.A O no hydrogen 2.946 N/A HIS 68.A N VAL 64.A O no hydrogen 2.942 N/A THR 69.A N GLU 65.A O no hydrogen 2.857 N/A THR 69.A OG1 GLU 65.A O no hydrogen 2.856 N/A ALA 70.A N LEU 66.A O no hydrogen 2.966 N/A SER 71.A N.A PHE 67.A O no hydrogen 2.985 N/A SER 71.A N.B PHE 67.A O no hydrogen 2.976 N/A SER 71.A OG.A HIS 68.A O no hydrogen 2.561 N/A SER 71.A OG.B PHE 67.A O no hydrogen 3.020 N/A LEU 72.A N HIS 68.A O no hydrogen 3.129 N/A VAL 73.A N THR 69.A O no hydrogen 2.989 N/A HIS 74.A N ALA 70.A O no hydrogen 3.120 N/A HIS 74.A NE2 LEU 102.A O no hydrogen 2.941 N/A ASP 75.A N SER 71.A O.A no hydrogen 2.901 N/A ASP 75.A N SER 71.A O.B no hydrogen 2.865 N/A ASP 76.A N LEU 72.A O no hydrogen 2.930 N/A LEU 77.A N HIS 74.A O no hydrogen 3.118 N/A ILE 80.A N LEU 77.A O no hydrogen 2.868 N/A ASP 81.A N ASP 75.A O no hydrogen 2.863 N/A ASN 82.A N LEU 77.A O no hydrogen 2.952 N/A ALA 83.A N ASP 76.A O no hydrogen 2.944 N/A ARG 86.A N LYS 89.A O no hydrogen 2.727 N/A ARG 86.A NE ASP 76.A OD2 no hydrogen 2.810 N/A ARG 86.A NH2 ASP 76.A OD1 no hydrogen 2.856 N/A LYS 89.A N ARG 86.A O no hydrogen 3.043 N/A SER 91.A N ASP 84.A O no hydrogen 2.866 N/A SER 91.A OG ALA 83.A O no hydrogen 2.720 N/A CYS 92.A SG ALA 26.A O no hydrogen 3.887 N/A CYS 92.A SG SER 30.A OG no hydrogen 3.467 N/A ALA 95.A N SER 91.A O no hydrogen 2.972 N/A TYR 96.A N CYS 92.A O no hydrogen 2.878 N/A GLY 97.A N HIS 93.A O no hydrogen 2.693 N/A ALA 101.A N GLY 97.A O no hydrogen 3.056 N/A LEU 102.A N GLU 98.A O no hydrogen 2.880 N/A LEU 103.A N GLY 99.A O no hydrogen 3.132 N/A ALA 104.A N ILE 100.A O no hydrogen 2.815 N/A GLY 105.A N ALA 101.A O no hydrogen 2.939 N/A ASP 106.A N LEU 102.A O no hydrogen 3.077 N/A GLY 107.A N LEU 103.A O no hydrogen 2.839 N/A LEU 108.A N ALA 104.A O no hydrogen 2.875 N/A PHE 109.A N GLY 105.A O no hydrogen 3.029 N/A PHE 110.A N ASP 106.A O no hydrogen 3.007 N/A LEU 111.A N GLY 107.A O no hydrogen 2.851 N/A ALA 112.A N LEU 108.A O no hydrogen 2.996 N/A PHE 113.A N PHE 109.A O no hydrogen 3.054 N/A SER 114.A N PHE 110.A O no hydrogen 2.899 N/A SER 114.A OG PHE 110.A O no hydrogen 2.977 N/A GLN 115.A N LEU 111.A O no hydrogen 2.963 N/A ILE 116.A N ALA 112.A O no hydrogen 3.059 N/A ALA 117.A N PHE 113.A O no hydrogen 2.882 N/A LYS 118.A N SER 114.A O no hydrogen 3.240 N/A LYS 118.A N GLN 115.A O no hydrogen 3.228 N/A LYS 118.A NZ GLN 115.A OE1 no hydrogen 2.691 N/A VAL 119.A N ILE 116.A O no hydrogen 3.074 N/A ARG 120.A N ALA 117.A O no hydrogen 3.334 N/A LEU 124.A N GLU 121.A O.A no hydrogen 2.674 N/A LEU 124.A N GLU 121.A O.B no hydrogen 2.753 N/A PHE 125.A N.A GLU 121.A O.A no hydrogen 3.332 N/A PHE 125.A N.A GLU 121.A O.B no hydrogen 3.324 N/A PHE 125.A N.B GLU 121.A O.A no hydrogen 3.290 N/A PHE 125.A N.B GLU 121.A O.B no hydrogen 3.282 N/A GLU 126.A N PRO 122.A O no hydrogen 3.144 N/A GLU 127.A N LYS 123.A O no hydrogen 2.893 N/A PHE 128.A N LEU 124.A O no hydrogen 2.821 N/A SER 129.A N PHE 125.A O.A no hydrogen 3.009 N/A SER 129.A N PHE 125.A O.B no hydrogen 2.931 N/A SER 129.A OG PHE 125.A O.A no hydrogen 2.893 N/A SER 129.A OG PHE 125.A O.B no hydrogen 3.060 N/A GLU 130.A N GLU 126.A O no hydrogen 2.922 N/A THR 131.A N GLU 127.A O no hydrogen 2.976 N/A THR 131.A OG1 GLU 127.A O no hydrogen 2.874 N/A ALA 132.A N PHE 128.A O no hydrogen 2.900 N/A TYR 133.A N SER 129.A O no hydrogen 3.155 N/A LYS 134.A N GLU 130.A O no hydrogen 3.038 N/A LEU 135.A N THR 131.A O no hydrogen 2.924 N/A LEU 136.A N ALA 132.A O no hydrogen 3.071 N/A LEU 137.A N TYR 133.A O no hydrogen 2.977 N/A GLY 138.A N LYS 134.A O no hydrogen 2.858 N/A GLU 139.A N LEU 135.A O no hydrogen 2.946 N/A ALA 140.A N LEU 136.A O no hydrogen 2.840 N/A MET 141.A N LEU 137.A O no hydrogen 2.837 N/A ASP 142.A N GLY 138.A O no hydrogen 3.040 N/A VAL 143.A N GLU 139.A O no hydrogen 2.991 N/A GLU 144.A N ALA 140.A O no hydrogen 2.847 N/A PHE 145.A N MET 141.A O no hydrogen 2.794 N/A GLU 146.A N VAL 143.A O no hydrogen 3.389 N/A GLN 148.A N PHE 145.A O no hydrogen 2.992 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.480 N/A ILE 152.A N GLN 148.A O no hydrogen 2.885 N/A MET 156.A N SER 153.A OG no hydrogen 3.096 N/A VAL 157.A N SER 153.A O no hydrogen 3.038 N/A GLU 158.A N VAL 154.A O no hydrogen 2.849 N/A LYS 159.A N GLU 155.A O no hydrogen 3.003 N/A MET 160.A N MET 156.A O no hydrogen 3.026 N/A TYR 161.A N VAL 157.A O no hydrogen 3.021 N/A TYR 161.A OH ASP 203.A OD2 no hydrogen 2.256 N/A SER 162.A N GLU 158.A O no hydrogen 2.925 N/A PHE 163.A N LYS 159.A O no hydrogen 2.920 N/A LYS 164.A N MET 160.A O no hydrogen 2.769 N/A LYS 164.A NZ GLU 139.A OE1 no hydrogen 2.327 N/A LYS 164.A NZ ASP 142.A OD2 no hydrogen 3.441 N/A THR 165.A N TYR 161.A O no hydrogen 3.025 N/A THR 165.A OG1 GLN 199.A OE1.A no hydrogen 2.574 N/A GLY 166.A N TYR 161.A O no hydrogen 3.011 N/A PHE 169.A N THR 165.A O no hydrogen 3.469 N/A ALA 170.A N GLY 166.A O no hydrogen 2.808 N/A PHE 171.A N ALA 167.A O no hydrogen 3.064 N/A CYS 172.A N LEU 168.A O no hydrogen 3.062 N/A CYS 172.A SG ARG 39.A O no hydrogen 3.591 N/A CYS 172.A SG LEU 168.A O no hydrogen 3.339 N/A PHE 173.A N PHE 169.A O no hydrogen 3.272 N/A SER 174.A N ALA 170.A O no hydrogen 2.806 N/A SER 174.A OG ALA 170.A O no hydrogen 2.903 N/A ALA 175.A N PHE 171.A O no hydrogen 2.850 N/A LEU 178.A N SER 174.A O no hydrogen 2.911 N/A LEU 179.A N ALA 175.A O no hydrogen 2.948 N/A LYS 180.A N PRO 176.A O no hydrogen 2.982 N/A LYS 180.A NZ GLY 51.A O no hydrogen 2.867 N/A GLY 181.A N LEU 178.A O no hydrogen 3.180 N/A LEU 182.A N PHE 177.A O no hydrogen 2.860 N/A THR 185.A N ASP 183.A OD2 no hydrogen 3.355 N/A THR 185.A OG1 ASP 183.A OD2 no hydrogen 3.216 N/A LYS 188.A N HIS 184.A O no hydrogen 3.092 N/A LYS 188.A NZ GLU 127.A OE2 no hydrogen 2.983 N/A LEU 190.A N PHE 186.A O no hydrogen 3.342 N/A GLY 191.A N VAL 187.A O no hydrogen 2.986 N/A GLU 192.A N LYS 188.A O no hydrogen 3.113 N/A LYS 193.A N LYS 189.A O no hydrogen 3.188 N/A LYS 193.A NZ GLU 233.A OE1 no hydrogen 3.192 N/A PHE 194.A N LEU 190.A O no hydrogen 2.880 N/A GLY 195.A N GLY 191.A O no hydrogen 2.855 N/A VAL 196.A N GLU 192.A O no hydrogen 3.010 N/A ALA 197.A N LYS 193.A O no hydrogen 3.049 N/A PHE 198.A N PHE 194.A O no hydrogen 2.772 N/A GLN 199.A N.A GLY 195.A O no hydrogen 3.007 N/A GLN 199.A N.B GLY 195.A O no hydrogen 2.992 N/A GLN 199.A NE2.B THR 165.A OG1 no hydrogen 2.648 N/A ILE 200.A N VAL 196.A O no hydrogen 3.031 N/A TYR 201.A N ALA 197.A O no hydrogen 2.915 N/A TYR 201.A OH ASP 228.A OD1 no hydrogen 2.564 N/A ASP 202.A N PHE 198.A O no hydrogen 3.026 N/A ASP 203.A N GLN 199.A O.A no hydrogen 2.895 N/A ASP 203.A N GLN 199.A O.B no hydrogen 2.901 N/A LEU 204.A N ILE 200.A O no hydrogen 2.910 N/A LYS 205.A N TYR 201.A O no hydrogen 2.945 N/A ASP 206.A N ASP 202.A O no hydrogen 3.006 N/A VAL 207.A N ASP 203.A O no hydrogen 3.055 N/A LEU 208.A N LEU 204.A O no hydrogen 3.158 N/A GLY 209.A N LYS 205.A O no hydrogen 3.116 N/A SER 210.A OG LEU 208.A O no hydrogen 2.747 N/A LYS 211.A NZ ASP 81.A OD1 no hydrogen 3.381 N/A LYS 211.A NZ GLU 146.A OE2 no hydrogen 2.243 N/A LEU 214.A N TYR 161.A OH no hydrogen 2.920 N/A LYS 216.A N THR 213.A OG1 no hydrogen 2.981 N/A LYS 216.A NZ GLU 149.A OE2 no hydrogen 3.282 N/A LYS 216.A NZ LYS 211.A O no hydrogen 2.479 N/A LYS 217.A N THR 213.A O no hydrogen 3.109 N/A LYS 217.A NZ GLU 149.A O no hydrogen 2.499 N/A LYS 217.A NZ ILE 152.A O no hydrogen 2.666 N/A MET 218.A N LEU 214.A O no hydrogen 2.825 N/A GLY 219.A N VAL 215.A O no hydrogen 2.796 N/A ALA 223.A N GLY 219.A O no hydrogen 3.059 N/A LYS 224.A N VAL 220.A O no hydrogen 2.985 N/A LYS 224.A NZ ASP 228.A OD2 no hydrogen 2.967 N/A GLN 225.A N GLN 221.A O no hydrogen 2.979 N/A LEU 226.A N LYS 222.A O no hydrogen 3.000 N/A ALA 227.A N ALA 223.A O no hydrogen 3.012 N/A ASP 228.A N LYS 224.A O no hydrogen 2.791 N/A LYS 229.A N GLN 225.A O no hydrogen 2.947 N/A TYR 230.A N LEU 226.A O no hydrogen 3.014 N/A TYR 230.A OH GLU 158.A OE2 no hydrogen 2.639 N/A TYR 231.A N ALA 227.A O no hydrogen 2.892 N/A TYR 231.A OH LEU 250.A O no hydrogen 2.552 N/A GLU 232.A N ASP 228.A O no hydrogen 2.921 N/A GLU 233.A N LYS 229.A O no hydrogen 2.980 N/A VAL 234.A N TYR 230.A O no hydrogen 2.990 N/A LEU 235.A N TYR 231.A O no hydrogen 2.960 N/A GLU 236.A N GLU 232.A O no hydrogen 2.987 N/A ALA 237.A N GLU 233.A O no hydrogen 3.062 N/A LEU 238.A N VAL 234.A O no hydrogen 2.936 N/A GLU 239.A N LEU 235.A O no hydrogen 2.900 N/A SER 240.A N GLU 236.A O no hydrogen 2.939 N/A SER 240.A OG GLU 236.A O no hydrogen 2.825 N/A GLU 241.A N ALA 237.A O no hydrogen 3.025 N/A GLY 242.A N GLU 239.A O no hydrogen 3.111 N/A LEU 243.A N LEU 238.A O no hydrogen 2.955 N/A ARG 245.A N ASP 49.A OD1 no hydrogen 3.040 N/A THR 246.A N ASP 49.A OD2 no hydrogen 2.874 N/A THR 246.A OG1 THR 45.A OG1 no hydrogen 3.217 N/A THR 246.A OG1 ASP 49.A OD2 no hydrogen 2.734 N/A PHE 247.A N LEU 243.A O no hydrogen 2.904 N/A ASP 248.A N HIS 244.A O no hydrogen 2.952 N/A PHE 249.A N ARG 245.A O no hydrogen 2.884 N/A LEU 250.A N THR 246.A O no hydrogen 2.900 N/A ARG 251.A N PHE 247.A O no hydrogen 2.774 N/A ASN 252.A N ASP 248.A O no hydrogen 2.975 N/A LEU 253.A N PHE 249.A O no hydrogen 3.002 N/A LYS 254.A N LEU 250.A O no hydrogen 3.216 N/A