Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5aad_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 6.A OD2 no hydrogen 3.210 N/A ASP 6.A N ALA 3.A O no hydrogen 3.042 N/A PHE 7.A N LEU 4.A O no hydrogen 3.166 N/A GLU 8.A N ARG 25.A O no hydrogen 2.894 N/A GLY 10.A N LEU 23.A O no hydrogen 2.332 N/A LEU 13.A N VAL 21.A O no hydrogen 2.533 N/A GLY 14.A N VAL 21.A O no hydrogen 3.230 N/A GLY 16.A N ASN 20.A OD1 no hydrogen 3.384 N/A ASN 20.A N VAL 37.A O no hydrogen 2.999 N/A ASN 20.A ND2 TYR 22.A OH no hydrogen 3.328 N/A VAL 21.A N GLY 14.A O no hydrogen 3.007 N/A TYR 22.A N LEU 35.A O no hydrogen 3.354 N/A LEU 23.A N ARG 11.A O no hydrogen 2.953 N/A ALA 24.A N LEU 33.A O no hydrogen 2.947 N/A ARG 25.A N GLU 8.A O no hydrogen 2.891 N/A ARG 25.A NH2 GLU 8.A OE1 no hydrogen 2.706 N/A GLU 26.A N PHE 31.A O no hydrogen 3.149 N/A LYS 27.A N ASP 6.A O no hydrogen 2.781 N/A LYS 27.A NZ GLU 5.A O no hydrogen 3.021 N/A GLN 28.A N GLU 26.A OE2 no hydrogen 2.789 N/A SER 29.A N GLU 26.A OE1 no hydrogen 2.700 N/A SER 29.A OG GLU 26.A OE1 no hydrogen 3.074 N/A LEU 33.A N ALA 24.A O no hydrogen 2.937 N/A ALA 34.A N LEU 84.A O no hydrogen 2.901 N/A LEU 35.A N TYR 22.A O no hydrogen 2.893 N/A LYS 36.A N LEU 82.A O no hydrogen 2.834 N/A LYS 36.A NZ GLU 55.A OE2 no hydrogen 3.506 N/A VAL 37.A N ASN 20.A O no hydrogen 2.723 N/A LEU 38.A N VAL 80.A O no hydrogen 2.600 N/A LYS 40.A NZ HIS 75.A ND1 no hydrogen 3.118 N/A LYS 40.A NZ ASP 76.A O no hydrogen 2.411 N/A LYS 40.A NZ ALA 77.A O no hydrogen 3.508 N/A LEU 43.A N PHE 39.A O no hydrogen 3.031 N/A GLU 44.A N LYS 40.A O no hydrogen 2.740 N/A LYS 45.A N ALA 41.A O no hydrogen 2.757 N/A ALA 46.A N GLN 42.A O no hydrogen 3.051 N/A GLY 47.A N GLU 44.A O no hydrogen 2.686 N/A VAL 48.A N LEU 43.A O no hydrogen 3.052 N/A LEU 52.A N VAL 48.A O no hydrogen 3.054 N/A ARG 53.A N GLU 49.A O no hydrogen 3.062 N/A ARG 54.A N HIS 50.A O no hydrogen 2.804 N/A GLU 55.A N GLN 51.A O no hydrogen 2.661 N/A VAL 56.A N LEU 52.A O no hydrogen 2.904 N/A GLU 57.A N ARG 53.A O no hydrogen 2.706 N/A ILE 58.A N ARG 54.A O no hydrogen 2.601 N/A GLN 59.A N GLU 55.A O no hydrogen 2.641 N/A GLN 59.A NE2 LEU 68.A O no hydrogen 2.471 N/A SER 60.A N VAL 56.A O no hydrogen 2.819 N/A SER 60.A OG VAL 56.A O no hydrogen 2.567 N/A SER 60.A OG GLU 57.A O no hydrogen 2.734 N/A HIS 61.A N ILE 58.A O no hydrogen 3.014 N/A ARG 63.A N TYR 120.A OH no hydrogen 2.967 N/A ARG 63.A NH1 LEU 62.A O no hydrogen 3.233 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.952 N/A ASN 66.A ND2 GLU 113.A O no hydrogen 3.480 N/A ILE 67.A N HIS 64.A O no hydrogen 2.934 N/A LEU 68.A N ILE 146.A O no hydrogen 2.754 N/A ARG 69.A N GLU 85.A OE1 no hydrogen 3.080 N/A TYR 71.A N ILE 83.A O no hydrogen 3.058 N/A PHE 74.A N TYR 81.A O no hydrogen 3.188 N/A HIS 75.A ND1 ASP 76.A O no hydrogen 3.311 N/A ASP 76.A N ARG 79.A O no hydrogen 3.136 N/A ARG 79.A N ASP 76.A OD1 no hydrogen 2.518 N/A VAL 80.A N LEU 38.A O no hydrogen 2.663 N/A TYR 81.A N PHE 74.A O no hydrogen 2.859 N/A TYR 81.A OH ASP 76.A OD2 no hydrogen 2.892 N/A LEU 82.A N LYS 36.A O no hydrogen 2.600 N/A ILE 83.A N GLY 72.A O no hydrogen 3.079 N/A LEU 84.A N ALA 34.A O no hydrogen 2.773 N/A GLU 85.A N ARG 69.A O no hydrogen 3.151 N/A LEU 89.A N LEU 138.A O no hydrogen 3.362 N/A THR 91.A OG1 PRO 133.A O no hydrogen 3.135 N/A THR 91.A OG1 LEU 136.A O no hydrogen 3.359 N/A VAL 92.A N LEU 136.A O no hydrogen 2.940 N/A TYR 93.A N THR 91.A OG1 no hydrogen 2.984 N/A GLU 95.A N THR 91.A O no hydrogen 3.186 N/A LEU 96.A N VAL 92.A O no hydrogen 2.746 N/A LEU 96.A N TYR 93.A O no hydrogen 3.214 N/A GLN 97.A N TYR 93.A O no hydrogen 3.270 N/A LYS 98.A N ARG 94.A O no hydrogen 2.763 N/A LEU 99.A N GLU 95.A O no hydrogen 3.068 N/A LYS 101.A N LEU 99.A O no hydrogen 2.638 N/A PHE 102.A N PHE 186.A O no hydrogen 2.812 N/A ARG 106.A N ASP 103.A OD1 no hydrogen 2.682 N/A ARG 106.A NH1 TYR 110.A OH no hydrogen 3.100 N/A THR 107.A N ASP 103.A O no hydrogen 3.039 N/A THR 107.A OG1 PHE 102.A O no hydrogen 3.457 N/A THR 107.A OG1 ASP 103.A O no hydrogen 2.464 N/A ALA 108.A N GLU 104.A O no hydrogen 2.889 N/A THR 109.A N GLN 105.A O no hydrogen 3.079 N/A THR 109.A OG1 GLN 105.A O no hydrogen 2.636 N/A TYR 110.A N ARG 106.A O no hydrogen 2.972 N/A ILE 111.A N THR 107.A O no hydrogen 3.091 N/A THR 112.A N ALA 108.A O no hydrogen 3.301 N/A THR 112.A OG1 ALA 108.A O no hydrogen 2.871 N/A THR 112.A OG1 THR 109.A O no hydrogen 2.650 N/A THR 112.A OG1 SER 251.A OG no hydrogen 2.843 N/A GLU 113.A N THR 109.A O no hydrogen 3.041 N/A LEU 114.A N TYR 110.A O no hydrogen 3.134 N/A ALA 115.A N ILE 111.A O no hydrogen 2.709 N/A ASN 116.A N THR 112.A O no hydrogen 2.862 N/A ALA 117.A N GLU 113.A O no hydrogen 2.931 N/A LEU 118.A N LEU 114.A O no hydrogen 2.536 N/A SER 119.A N ALA 115.A O no hydrogen 2.745 N/A SER 119.A OG ALA 115.A O no hydrogen 2.940 N/A TYR 120.A N ASN 116.A O no hydrogen 3.098 N/A CYS 121.A N ALA 117.A O no hydrogen 3.145 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.431 N/A HIS 122.A N LEU 118.A O no hydrogen 2.848 N/A HIS 122.A NE2 ASP 175.A OD2 no hydrogen 2.759 N/A SER 123.A N SER 119.A O no hydrogen 2.617 N/A SER 123.A OG TYR 120.A O no hydrogen 2.375 N/A LYS 124.A N CYS 121.A O no hydrogen 3.335 N/A ARG 125.A N HIS 122.A O no hydrogen 2.667 N/A VAL 126.A N CYS 121.A O no hydrogen 2.456 N/A ILE 127.A N VAL 153.A O no hydrogen 2.908 N/A HIS 128.A N ASP 175.A OD2 no hydrogen 3.356 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 2.935 N/A ARG 129.A N ASP 175.A OD1 no hydrogen 3.011 N/A ARG 129.A NE TRP 151.A O no hydrogen 2.519 N/A ARG 129.A NH1 HIS 170.A NE2 no hydrogen 3.353 N/A ARG 129.A NH2 TRP 151.A O no hydrogen 3.088 N/A ASP 130.A N HIS 128.A O no hydrogen 2.680 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.387 N/A ASN 135.A N LYS 132.A O no hydrogen 2.573 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.523 N/A LEU 136.A N PRO 133.A O no hydrogen 3.372 N/A LEU 137.A N LYS 145.A O no hydrogen 2.855 N/A LEU 138.A N GLY 90.A O no hydrogen 2.520 N/A GLY 139.A N GLU 143.A O no hydrogen 2.614 N/A GLY 142.A N GLY 139.A O no hydrogen 2.764 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.611 N/A LEU 144.A N GLU 113.A OE1 no hydrogen 2.583 N/A LYS 145.A N LEU 137.A O no hydrogen 2.658 N/A LYS 145.A NZ GLU 85.A OE2 no hydrogen 3.160 N/A ILE 146.A N ASN 66.A O no hydrogen 2.720 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 3.267 N/A SER 152.A N PHE 149.A O no hydrogen 3.219 N/A SER 152.A OG PHE 149.A O no hydrogen 2.696 N/A VAL 153.A N ILE 127.A O no hydrogen 3.253 N/A TYR 159.A OH GLU 185.A OE1 no hydrogen 2.400 N/A TYR 159.A OH GLU 185.A OE2 no hydrogen 3.341 N/A LEU 160.A N LEU 157.A O no hydrogen 2.903 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.796 N/A MET 164.A N PRO 161.A O no hydrogen 3.239 N/A ILE 165.A N PRO 161.A O no hydrogen 3.279 N/A GLU 166.A N PRO 162.A O no hydrogen 2.906 N/A GLY 167.A N MET 164.A O no hydrogen 3.006 N/A ARG 168.A N GLU 163.A O no hydrogen 2.927 N/A ARG 168.A NH1 GLU 166.A OE1 no hydrogen 2.725 N/A HIS 170.A ND1 ARG 168.A O no hydrogen 3.253 N/A LYS 173.A N ASP 171.A OD1 no hydrogen 3.078 N/A LYS 173.A NZ ARG 235.A O no hydrogen 2.769 N/A VAL 174.A N ASP 171.A O no hydrogen 2.944 N/A ASP 175.A N GLU 172.A O no hydrogen 3.186 N/A TRP 177.A N LYS 173.A O no hydrogen 3.406 N/A SER 178.A N VAL 174.A O no hydrogen 3.297 N/A SER 178.A OG TYR 159.A O no hydrogen 3.118 N/A LEU 179.A N ASP 175.A O no hydrogen 2.773 N/A GLY 180.A N LEU 176.A O no hydrogen 2.948 N/A GLY 180.A N TRP 177.A O no hydrogen 2.794 N/A VAL 181.A N TRP 177.A O no hydrogen 2.795 N/A LEU 182.A N SER 178.A O no hydrogen 2.702 N/A CYS 183.A N LEU 179.A O no hydrogen 3.098 N/A TYR 184.A N GLY 180.A O no hydrogen 3.067 N/A TYR 184.A OH THR 211.A O no hydrogen 3.031 N/A GLU 185.A N VAL 181.A O no hydrogen 3.074 N/A PHE 186.A N LEU 182.A O no hydrogen 3.101 N/A LEU 187.A N CYS 183.A O no hydrogen 3.352 N/A VAL 188.A N TYR 184.A O no hydrogen 2.906 N/A GLY 189.A N GLU 185.A O no hydrogen 2.632 N/A GLU 194.A N PRO 191.A O no hydrogen 3.075 N/A GLN 199.A N GLN 199.A OE1 no hydrogen 2.685 N/A THR 201.A N THR 197.A O no hydrogen 3.113 N/A THR 201.A OG1 THR 197.A O no hydrogen 2.615 N/A THR 201.A OG1 TYR 198.A O no hydrogen 3.442 N/A TYR 202.A N TYR 198.A O no hydrogen 2.869 N/A LYS 203.A N GLN 199.A O no hydrogen 3.374 N/A ARG 204.A N GLU 200.A O no hydrogen 3.183 N/A ARG 204.A NE GLU 209.A O no hydrogen 3.292 N/A ARG 204.A NH2 PRO 192.A O no hydrogen 3.365 N/A ILE 205.A N THR 201.A O no hydrogen 2.834 N/A SER 206.A N TYR 202.A O no hydrogen 2.736 N/A SER 206.A OG GLU 166.A OE2 no hydrogen 3.145 N/A ARG 207.A N LYS 203.A O no hydrogen 2.672 N/A ARG 207.A NE GLU 209.A OE2 no hydrogen 3.534 N/A VAL 208.A N ILE 205.A O no hydrogen 3.088 N/A GLU 209.A N ARG 204.A O no hydrogen 2.718 N/A VAL 216.A N ASP 214.A O no hydrogen 2.872 N/A THR 217.A OG1 GLU 104.A OE2 no hydrogen 2.800 N/A ALA 220.A N THR 217.A OG1 no hydrogen 2.869 N/A ARG 221.A N THR 217.A O no hydrogen 2.806 N/A ARG 221.A NE VAL 216.A O no hydrogen 2.758 N/A ARG 221.A NH2 ASP 214.A O no hydrogen 3.441 N/A ASP 222.A N GLU 218.A O no hydrogen 2.705 N/A LEU 223.A N GLY 219.A O no hydrogen 3.226 N/A ILE 224.A N ALA 220.A O no hydrogen 3.080 N/A SER 225.A N ARG 221.A O no hydrogen 2.922 N/A SER 225.A OG ARG 221.A O no hydrogen 2.689 N/A ARG 226.A N ASP 222.A O no hydrogen 3.044 N/A ARG 226.A NE ASP 222.A OD1 no hydrogen 3.191 N/A ARG 226.A NE ASP 222.A OD2 no hydrogen 3.384 N/A LEU 227.A N ILE 224.A O no hydrogen 3.052 N/A LEU 228.A N ILE 224.A O no hydrogen 2.961 N/A SER 233.A N ASN 231.A OD1 no hydrogen 3.143 N/A GLN 234.A N ASN 231.A O no hydrogen 2.969 N/A ARG 235.A N PRO 232.A O no hydrogen 3.009 N/A ARG 235.A NE LYS 229.A O no hydrogen 3.028 N/A ARG 235.A NH1 GLU 163.A OE2 no hydrogen 2.691 N/A ARG 235.A NH1 LYS 173.A O no hydrogen 2.748 N/A ARG 235.A NH2 GLU 163.A OE1 no hydrogen 2.702 N/A ARG 235.A NH2 GLU 163.A OE2 no hydrogen 3.247 N/A ARG 235.A NH2 LYS 229.A O no hydrogen 3.150 N/A MET 237.A N GLU 240.A OE2 no hydrogen 3.239 N/A VAL 241.A N MET 237.A O no hydrogen 3.395 N/A LEU 242.A N LEU 238.A O no hydrogen 2.974 N/A GLU 243.A N ARG 239.A O no hydrogen 3.188 N/A GLU 243.A N GLU 240.A O no hydrogen 3.131 N/A HIS 244.A N VAL 241.A O no hydrogen 2.678 N/A HIS 244.A NE2 ASP 222.A OD1 no hydrogen 2.400 N/A TRP 246.A NE1 GLU 104.A OE2 no hydrogen 2.765 N/A ILE 247.A N HIS 244.A O no hydrogen 2.519 N/A THR 248.A N HIS 244.A O no hydrogen 2.921 N/A THR 248.A OG1 HIS 244.A O no hydrogen 3.321 N/A ALA 249.A N PRO 245.A O no hydrogen 2.633 N/A ASN 250.A N TRP 246.A O no hydrogen 3.335 N/A SER 251.A N ILE 247.A O no hydrogen 2.516 N/A SER 251.A OG THR 112.A OG1 no hydrogen 2.843 N/A