Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mwa_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ALA 189.A O no hydrogen 3.146 N/A THR 3.A OG1 ASP 193.A OD1 no hydrogen 3.301 N/A HIS 4.A ND1 THR 6.A OG1 no hydrogen 2.531 N/A ARG 5.A N GLY 223.A O no hydrogen 2.853 N/A ARG 5.A NE GLY 225.A O no hydrogen 2.833 N/A ARG 5.A NH1 ASN 22.A OD1 no hydrogen 3.104 N/A ARG 5.A NH2 LEU 220.A O no hydrogen 3.101 N/A ARG 5.A NH2 ILE 224.A O no hydrogen 2.692 N/A THR 6.A N HIS 4.A ND1 no hydrogen 3.163 N/A THR 6.A OG1 HIS 4.A ND1 no hydrogen 2.531 N/A LYS 7.A N HIS 4.A O no hydrogen 3.024 N/A THR 8.A N ARG 5.A O no hydrogen 3.379 N/A THR 8.A OG1 ARG 5.A O no hydrogen 2.551 N/A ARG 9.A N ASP 193.A O no hydrogen 3.021 N/A VAL 11.A N ILE 18.A O no hydrogen 2.862 N/A VAL 13.A N LEU 16.A O no hydrogen 2.797 N/A LEU 16.A N VAL 13.A O no hydrogen 3.063 N/A ILE 18.A N VAL 11.A O no hydrogen 2.805 N/A GLY 20.A N ARG 5.A O no hydrogen 3.253 N/A GLY 20.A N THR 8.A OG1 no hydrogen 3.033 N/A GLU 23.A N ASN 21.A OD1 no hydrogen 3.180 N/A LEU 24.A N LEU 252.A O no hydrogen 2.820 N/A ILE 25.A N ASN 226.A O no hydrogen 3.310 N/A ILE 26.A N GLN 52.A OE1 no hydrogen 3.035 N/A GLN 27.A N LEU 228.A O no hydrogen 2.898 N/A SER 28.A N VAL 53.A O no hydrogen 3.186 N/A SER 28.A OG PRO 236.A O no hydrogen 3.347 N/A SER 28.A OG GLU 239.A OE1 no hydrogen 2.735 N/A THR 29.A N ARG 55.A O no hydrogen 3.031 N/A THR 30.A N GLU 42.A OE1 no hydrogen 2.839 N/A THR 30.A N GLU 42.A OE2 no hydrogen 2.987 N/A THR 30.A OG1 GLU 42.A OE2 no hydrogen 2.511 N/A THR 31.A OG1 THR 39.A OG1 no hydrogen 2.674 N/A THR 31.A OG1 GLU 42.A OE1 no hydrogen 3.444 N/A THR 33.A OG1 ALA 57.A O no hydrogen 2.602 N/A ASP 35.A N LYS 32.A O no hydrogen 2.968 N/A THR 39.A N ASP 35.A O no hydrogen 3.091 N/A THR 39.A OG1 THR 31.A OG1 no hydrogen 2.674 N/A THR 39.A OG1 LYS 32.A O no hydrogen 3.228 N/A THR 39.A OG1 ASP 35.A O no hydrogen 3.289 N/A VAL 40.A N VAL 36.A O no hydrogen 2.989 N/A ALA 41.A N GLU 37.A O no hydrogen 2.776 N/A GLU 42.A N ALA 38.A O no hydrogen 3.159 N/A ILE 43.A N THR 39.A O no hydrogen 2.891 N/A LYS 44.A N VAL 40.A O no hydrogen 2.708 N/A LYS 44.A NZ GLN 73.A O no hydrogen 3.243 N/A ARG 45.A N ALA 41.A O no hydrogen 3.258 N/A ARG 45.A NH1 ASP 235.A OD1 no hydrogen 3.013 N/A ARG 45.A NH2 ASP 235.A OD1 no hydrogen 3.422 N/A ARG 45.A NH2 ASP 235.A OD2 no hydrogen 2.544 N/A LEU 46.A N GLU 42.A O no hydrogen 3.044 N/A GLU 47.A N ILE 43.A O no hydrogen 2.682 N/A GLU 48.A N LYS 44.A O no hydrogen 2.974 N/A ALA 49.A N ARG 45.A O no hydrogen 3.046 N/A GLY 50.A N LEU 46.A O no hydrogen 3.048 N/A GLY 50.A N GLU 47.A O no hydrogen 3.273 N/A CYS 51.A N LEU 46.A O no hydrogen 2.851 N/A CYS 51.A SG VAL 53.A O no hydrogen 3.211 N/A GLN 52.A N ILE 26.A O no hydrogen 3.040 N/A GLN 52.A NE2 SER 254.A OG no hydrogen 3.295 N/A VAL 53.A N ILE 26.A O no hydrogen 3.005 N/A VAL 54.A N PRO 77.A O no hydrogen 3.120 N/A ARG 55.A N SER 28.A O no hydrogen 2.952 N/A VAL 56.A N VAL 79.A O no hydrogen 2.757 N/A ALA 63.A N ASP 60.A OD1 no hydrogen 3.015 N/A ALA 64.A N ASP 60.A O no hydrogen 3.197 N/A ASN 65.A N GLU 61.A O no hydrogen 2.848 N/A ALA 66.A N ALA 63.A O no hydrogen 3.303 N/A ILE 70.A N ALA 66.A O no hydrogen 3.079 N/A LYS 71.A N ILE 67.A O no hydrogen 3.006 N/A LYS 71.A NZ ASP 98.A OD1 no hydrogen 3.377 N/A LYS 71.A NZ ASP 98.A OD2 no hydrogen 3.554 N/A LYS 72.A N ALA 68.A O no hydrogen 3.226 N/A GLN 73.A N ILE 70.A O no hydrogen 3.097 N/A ASN 75.A N GLU 47.A OE2 no hydrogen 2.533 N/A ILE 76.A N GLU 47.A OE2 no hydrogen 3.186 N/A LEU 78.A N ASP 98.A OD2 no hydrogen 2.566 N/A VAL 79.A N VAL 54.A O no hydrogen 2.825 N/A ALA 80.A N LYS 99.A O no hydrogen 3.258 N/A ILE 82.A N ARG 101.A O no hydrogen 2.724 N/A ARG 87.A N ASP 85.A OD1 no hydrogen 2.758 N/A ARG 87.A NE ASP 85.A OD1 no hydrogen 3.190 N/A ARG 87.A NE ASP 85.A OD2 no hydrogen 2.868 N/A ARG 87.A NH2 ASP 85.A OD2 no hydrogen 2.709 N/A LEU 88.A N ASP 85.A O no hydrogen 3.203 N/A LEU 90.A N TYR 86.A O no hydrogen 2.777 N/A LYS 91.A N ARG 87.A O no hydrogen 2.722 N/A ALA 92.A N LEU 88.A O no hydrogen 2.796 N/A ILE 93.A N ALA 89.A O no hydrogen 2.768 N/A GLU 94.A N LEU 90.A O no hydrogen 2.853 N/A GLY 95.A N LYS 91.A O no hydrogen 2.690 N/A GLY 96.A N ILE 93.A O no hydrogen 2.987 N/A ILE 97.A N ALA 92.A O no hydrogen 3.137 N/A ASP 98.A N LEU 78.A O no hydrogen 2.924 N/A VAL 100.A N PRO 126.A O no hydrogen 3.308 N/A ARG 101.A N ALA 80.A O no hydrogen 2.847 N/A ASN 106.A N ASN 103.A O no hydrogen 2.817 N/A ILE 107.A N ASN 103.A O no hydrogen 3.342 N/A LYS 112.A N ARG 109.A O no hydrogen 3.202 N/A VAL 113.A N ARG 109.A O no hydrogen 3.455 N/A GLU 114.A N ARG 110.A O no hydrogen 2.936 N/A ALA 115.A N HIS 111.A O no hydrogen 3.191 N/A ALA 115.A N LYS 112.A O no hydrogen 3.253 N/A VAL 116.A N LYS 112.A O no hydrogen 3.191 N/A VAL 117.A N VAL 113.A O no hydrogen 2.676 N/A ASN 118.A N GLU 114.A O no hydrogen 2.866 N/A ALA 119.A N ALA 115.A O no hydrogen 2.491 N/A ALA 120.A N VAL 116.A O no hydrogen 2.677 N/A LYS 121.A N VAL 117.A O no hydrogen 2.534 N/A LYS 121.A NZ LEU 165.A O no hydrogen 2.573 N/A LYS 121.A NZ ASP 166.A O no hydrogen 3.122 N/A GLU 122.A N ASN 118.A O no hydrogen 2.607 N/A ARG 123.A N ALA 119.A O no hydrogen 3.105 N/A ARG 123.A NH2 GLU 94.A O no hydrogen 3.229 N/A GLY 124.A N LYS 121.A O no hydrogen 3.188 N/A ILE 125.A N ALA 120.A O no hydrogen 2.772 N/A ILE 127.A N ASP 169.A O no hydrogen 2.884 N/A ARG 128.A N VAL 100.A O no hydrogen 2.814 N/A ARG 128.A NH1 GLN 27.A OE1 no hydrogen 2.966 N/A ILE 129.A N ILE 171.A O no hydrogen 2.836 N/A VAL 131.A N SER 173.A O no hydrogen 2.883 N/A ALA 133.A N LYS 174.A O no hydrogen 3.080 N/A GLY 134.A N ASN 132.A OD1 no hydrogen 3.264 N/A SER 135.A N ASN 132.A O no hydrogen 2.752 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.623 N/A ILE 140.A N GLU 137.A O no hydrogen 3.146 N/A LEU 141.A N GLU 137.A O no hydrogen 3.105 N/A GLU 142.A N ARG 138.A O no hydrogen 2.942 N/A LYS 143.A N HIS 139.A O.A no hydrogen 2.972 N/A LYS 143.A N HIS 139.A O.B no hydrogen 2.933 N/A TYR 144.A N ILE 140.A O no hydrogen 3.116 N/A TYR 144.A OH GLU 153.A OE2 no hydrogen 2.967 N/A GLY 145.A N LEU 141.A O no hydrogen 2.637 N/A GLY 151.A N THR 148.A OG1 no hydrogen 3.306 N/A GLU 153.A N ASP 150.A O no hydrogen 2.842 N/A SER 154.A N GLY 151.A O no hydrogen 3.060 N/A SER 154.A OG GLU 137.A OE1 no hydrogen 2.928 N/A SER 154.A OG GLY 151.A O no hydrogen 2.997 N/A LEU 156.A N VAL 152.A O no hydrogen 3.123 N/A HIS 157.A N GLU 153.A O no hydrogen 3.281 N/A HIS 158.A N SER 154.A O no hydrogen 3.123 N/A ILE 159.A N ALA 155.A O no hydrogen 2.966 N/A LYS 160.A N LEU 156.A O no hydrogen 2.593 N/A LYS 160.A NZ ASP 164.A OD2 no hydrogen 3.138 N/A ILE 161.A N HIS 157.A O no hydrogen 2.843 N/A LEU 162.A N HIS 158.A O no hydrogen 3.114 N/A GLU 163.A N ILE 159.A O no hydrogen 2.724 N/A ASP 164.A N LYS 160.A O no hydrogen 2.797 N/A LEU 165.A N LEU 162.A O no hydrogen 2.921 N/A ASP 166.A N GLU 163.A O no hydrogen 2.992 N/A PHE 167.A N LEU 162.A O no hydrogen 2.922 N/A ILE 171.A N ILE 127.A O no hydrogen 3.085 N/A VAL 172.A N PRO 195.A O no hydrogen 2.976 N/A SER 173.A N ILE 129.A O no hydrogen 2.726 N/A SER 173.A OG HIS 197.A O no hydrogen 3.391 N/A ASN 179.A N ASP 177.A OD1 no hydrogen 3.065 N/A ALA 181.A N ASP 177.A O no hydrogen 2.938 N/A ILE 182.A N VAL 178.A O.A no hydrogen 2.772 N/A ILE 182.A N VAL 178.A O.B no hydrogen 2.973 N/A GLU 183.A N ASN 179.A O no hydrogen 3.220 N/A ALA 184.A N LEU 180.A O no hydrogen 2.720 N/A TYR 185.A N ALA 181.A O no hydrogen 2.984 N/A TYR 185.A OH HIS 197.A O no hydrogen 2.450 N/A GLU 186.A N ILE 182.A O no hydrogen 3.036 N/A LYS 187.A N GLU 183.A O no hydrogen 2.971 N/A LYS 187.A NZ ASP 150.A OD1 no hydrogen 2.692 N/A ALA 188.A N ALA 184.A O no hydrogen 3.318 N/A ALA 189.A N TYR 185.A O no hydrogen 3.068 N/A ARG 190.A N LYS 187.A O no hydrogen 3.135 N/A ARG 190.A NH2 GLU 186.A OE2 no hydrogen 2.895 N/A ALA 191.A N ALA 188.A O no hydrogen 3.220 N/A PHE 192.A N ALA 188.A O no hydrogen 3.019 N/A TYR 194.A OH GLU 163.A OE2 no hydrogen 2.775 N/A LEU 196.A N ASN 226.A OD1 no hydrogen 3.270 N/A HIS 197.A N VAL 172.A O no hydrogen 2.923 N/A LEU 198.A N THR 227.A O no hydrogen 2.961 N/A GLY 199.A N TYR 185.A OH no hydrogen 3.076 N/A THR 201.A N ALA 175.A O no hydrogen 2.854 N/A ALA 208.A N THR 205.A OG1 no hydrogen 3.358 N/A GLY 209.A N THR 205.A O no hydrogen 2.841 N/A THR 210.A N LEU 206.A O no hydrogen 2.920 N/A THR 210.A OG1 LEU 206.A O no hydrogen 2.889 N/A VAL 211.A N PHE 207.A O no hydrogen 3.394 N/A SER 212.A OG GLY 209.A O no hydrogen 2.570 N/A ALA 213.A N THR 210.A O no hydrogen 3.035 N/A ALA 214.A N VAL 211.A O no hydrogen 2.933 N/A LEU 216.A N SER 212.A O no hydrogen 2.982 N/A GLY 217.A N ALA 213.A O no hydrogen 2.863 N/A GLY 217.A N ALA 214.A O no hydrogen 3.172 N/A ALA 218.A N ALA 214.A O no hydrogen 3.314 N/A ILE 219.A N GLY 215.A O no hydrogen 3.153 N/A LEU 220.A N LEU 216.A O no hydrogen 2.860 N/A ASN 221.A N GLY 217.A O no hydrogen 3.134 N/A LYS 222.A N ILE 219.A O no hydrogen 2.937 N/A LYS 222.A NZ GLU 186.A OE1 no hydrogen 3.373 N/A GLY 223.A N LEU 220.A O no hydrogen 3.263 N/A ASN 226.A N LEU 196.A O no hydrogen 2.998 N/A ASN 226.A ND2 ARG 5.A O no hydrogen 2.988 N/A THR 227.A OG1 ILE 25.A O no hydrogen 2.667 N/A LEU 228.A N ILE 25.A O no hydrogen 3.122 N/A ARG 229.A N LEU 198.A O no hydrogen 2.984 N/A ARG 229.A NE GLU 239.A OE1 no hydrogen 2.853 N/A ARG 229.A NH2 GLU 239.A OE1 no hydrogen 3.409 N/A ARG 229.A NH2 GLU 239.A OE2 no hydrogen 2.961 N/A LEU 232.A N GLU 239.A OE2 no hydrogen 3.039 N/A SER 233.A N GLU 202.A OE2 no hydrogen 2.749 N/A SER 233.A OG GLU 202.A OE1 no hydrogen 2.816 N/A SER 233.A OG GLU 202.A OE2 no hydrogen 3.476 N/A ALA 234.A N LEU 232.A O no hydrogen 2.598 N/A VAL 237.A N ASP 235.A OD1 no hydrogen 3.191 N/A GLU 238.A N ASP 235.A O no hydrogen 2.724 N/A VAL 240.A N PRO 236.A O no hydrogen 3.297 N/A LYS 241.A N VAL 237.A O no hydrogen 2.967 N/A VAL 242.A N GLU 238.A O no hydrogen 3.046 N/A ALA 243.A N GLU 239.A O no hydrogen 2.965 N/A ARG 244.A N VAL 240.A O no hydrogen 2.819 N/A GLU 245.A N LYS 241.A O no hydrogen 3.037 N/A LEU 246.A N VAL 242.A O no hydrogen 3.001 N/A LEU 247.A N ALA 243.A O no hydrogen 2.937 N/A LYS 248.A N ARG 244.A O no hydrogen 2.940 N/A SER 249.A N GLU 245.A O no hydrogen 2.962 N/A SER 249.A OG GLU 245.A O no hydrogen 3.015 N/A PHE 250.A N LEU 246.A O no hydrogen 3.371 N/A GLY 251.A N LEU 247.A O no hydrogen 2.658 N/A LEU 252.A N LEU 247.A O no hydrogen 3.120 N/A