Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ap3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 73.A OE1 no hydrogen 3.338 N/A TYR 4.A OH GLU 73.A OE2 no hydrogen 2.878 N/A MET 8.A N GLY 5.A O no hydrogen 3.090 N/A ILE 11.A N LEU 85.A O no hydrogen 3.024 N/A PHE 12.A N LYS 107.A O no hydrogen 2.953 N/A VAL 13.A N ASN 87.A O no hydrogen 3.030 N/A GLY 14.A N LEU 109.A O no hydrogen 3.073 N/A GLY 15.A N PRO 90.A O no hydrogen 3.333 N/A ARG 18.A NE SER 121.A OG no hydrogen 2.905 N/A SER 19.A OG VAL 16.A O no hydrogen 2.528 N/A MET 24.A N GLY 20.A O no hydrogen 2.908 N/A ARG 25.A N THR 21.A O no hydrogen 2.911 N/A ARG 25.A NH1 ASP 29.A OD2 no hydrogen 3.045 N/A ARG 25.A NH1 SER 208.A O no hydrogen 2.954 N/A ARG 25.A NH2 SER 208.A O no hydrogen 3.117 N/A ALA 26.A N THR 22.A O no hydrogen 2.858 N/A MET 27.A N LEU 23.A O no hydrogen 3.366 N/A LEU 28.A N ARG 25.A O no hydrogen 2.871 N/A ASP 29.A N ARG 25.A O no hydrogen 2.897 N/A ALA 30.A N ALA 26.A O no hydrogen 3.302 N/A HIS 31.A NE2 ALA 189.A O no hydrogen 3.244 N/A GLU 33.A N HIS 31.A ND1 no hydrogen 3.154 N/A VAL 34.A N HIS 31.A O no hydrogen 3.098 N/A ARG 35.A N VAL 84.A O no hydrogen 3.309 N/A ARG 35.A NE GLU 80.A O no hydrogen 2.402 N/A ARG 35.A NH1 ILE 75.A O no hydrogen 2.974 N/A ARG 35.A NH1 ALA 76.A O no hydrogen 3.121 N/A ARG 35.A NH1 GLU 80.A O no hydrogen 2.958 N/A ARG 35.A NH2 ILE 75.A O no hydrogen 3.130 N/A CYS 36.A N ASP 29.A OD2 no hydrogen 3.177 N/A CYS 36.A SG ARG 25.A O no hydrogen 3.934 N/A GLY 37.A N ASP 29.A OD2 no hydrogen 2.569 N/A GLU 38.A N GLU 38.A OE2 no hydrogen 2.592 N/A GLU 39.A N GLU 213.A OE2 no hydrogen 2.771 N/A THR 40.A N ASP 89.A OD2 no hydrogen 2.605 N/A THR 40.A OG1 ASP 89.A OD2 no hydrogen 2.751 N/A ARG 41.A N ASP 89.A OD1 no hydrogen 3.128 N/A ILE 43.A N THR 40.A OG1 no hydrogen 3.084 N/A ARG 45.A NE ARG 41.A O no hydrogen 3.548 N/A VAL 46.A N ILE 42.A O no hydrogen 2.872 N/A LEU 47.A N ILE 43.A O no hydrogen 3.036 N/A ALA 48.A N PRO 44.A O no hydrogen 2.722 N/A MET 49.A N ARG 45.A O no hydrogen 3.316 N/A ARG 50.A N VAL 46.A O no hydrogen 3.091 N/A ARG 50.A NE TYR 98.A OH no hydrogen 3.064 N/A ARG 50.A NH1 ASP 64.A OD1 no hydrogen 3.113 N/A ARG 50.A NH2 ARG 50.A O no hydrogen 2.668 N/A ARG 50.A NH2 SER 54.A OG no hydrogen 3.392 N/A GLN 51.A N LEU 47.A O no hydrogen 2.653 N/A ALA 52.A N ALA 48.A O no hydrogen 3.160 N/A TRP 53.A N MET 49.A O no hydrogen 3.202 N/A SER 54.A N GLN 51.A O no hydrogen 3.120 N/A SER 54.A OG ASP 60.A OD1 no hydrogen 3.460 N/A THR 59.A N GLY 57.A O no hydrogen 2.949 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.541 N/A VAL 62.A N THR 59.A O no hydrogen 3.027 N/A LEU 63.A N THR 59.A O no hydrogen 3.251 N/A ASP 64.A N ASP 60.A O no hydrogen 2.956 N/A ALA 65.A N GLU 61.A O no hydrogen 2.996 N/A ALA 66.A N VAL 62.A O no hydrogen 2.695 N/A MET 67.A N LEU 63.A O no hydrogen 2.695 N/A GLN 68.A N ASP 64.A O no hydrogen 2.782 N/A GLN 68.A NE2 LEU 102.A O no hydrogen 3.562 N/A ALA 69.A N ALA 65.A O no hydrogen 3.300 N/A PHE 70.A N ALA 66.A O no hydrogen 2.986 N/A ILE 71.A N MET 67.A O no hydrogen 2.819 N/A LEU 72.A N GLN 68.A O no hydrogen 2.812 N/A GLU 73.A N ALA 69.A O no hydrogen 3.160 N/A VAL 74.A N PHE 70.A O no hydrogen 3.317 N/A ILE 75.A N ILE 71.A O no hydrogen 3.132 N/A ALA 76.A N LEU 72.A O no hydrogen 2.860 N/A LYS 77.A N GLU 73.A O no hydrogen 2.710 N/A LYS 77.A NZ TYR 4.A OH no hydrogen 3.293 N/A LYS 77.A NZ GLU 73.A OE1 no hydrogen 2.510 N/A HIS 78.A N VAL 74.A O no hydrogen 2.652 N/A ARG 83.A NH2 GLU 33.A OE1 no hydrogen 2.777 N/A VAL 84.A N GLU 33.A O no hydrogen 2.810 N/A CYS 86.A N ARG 35.A O no hydrogen 2.746 N/A CYS 86.A SG ILE 11.A O no hydrogen 3.562 N/A ASN 87.A N ILE 11.A O no hydrogen 2.765 N/A LYS 88.A NZ THR 21.A OG1 no hydrogen 3.371 N/A LYS 88.A NZ THR 22.A OG1 no hydrogen 3.321 N/A LYS 88.A NZ GLU 39.A OE2 no hydrogen 2.978 N/A THR 92.A N ASP 89.A O no hydrogen 2.853 N/A THR 92.A OG1 ASP 89.A O no hydrogen 2.655 N/A LYS 94.A N PHE 91.A O no hydrogen 2.932 N/A SER 95.A N THR 92.A O no hydrogen 2.648 N/A SER 96.A OG LEU 93.A O no hydrogen 2.983 N/A SER 96.A OG GLN 154.A OE1 no hydrogen 3.176 N/A VAL 97.A N GLN 154.A OE1 no hydrogen 2.938 N/A TYR 98.A OH ASP 64.A OD1 no hydrogen 2.541 N/A LEU 99.A N SER 95.A O no hydrogen 3.001 N/A SER 100.A N SER 96.A O no hydrogen 2.785 N/A SER 100.A N VAL 97.A O no hydrogen 3.234 N/A ARG 101.A N VAL 97.A O no hydrogen 3.318 N/A ARG 101.A N TYR 98.A O no hydrogen 2.786 N/A LEU 102.A N TYR 98.A O no hydrogen 3.115 N/A PHE 103.A N LEU 99.A O no hydrogen 3.072 N/A ASN 105.A ND2 PRO 104.A O no hydrogen 2.729 N/A SER 106.A N PHE 103.A O no hydrogen 2.701 N/A SER 106.A OG PHE 103.A O no hydrogen 2.655 N/A LYS 107.A N LEU 10.A O no hydrogen 2.776 N/A PHE 108.A N LYS 162.A O no hydrogen 2.706 N/A LEU 109.A N PHE 12.A O no hydrogen 2.975 N/A LEU 110.A N LEU 164.A O no hydrogen 3.014 N/A MET 111.A N GLY 14.A O no hydrogen 2.812 N/A VAL 112.A N VAL 166.A O no hydrogen 2.819 N/A ARG 113.A NH1 ARG 18.A O no hydrogen 2.458 N/A ASP 114.A N GLU 169.A OE2 no hydrogen 3.525 N/A ARG 116.A N ASP 114.A OD1 no hydrogen 3.294 N/A ARG 116.A NE ASP 114.A OD1 no hydrogen 2.942 N/A ARG 116.A NH1 ASP 256.A O no hydrogen 3.386 N/A ARG 116.A NH2 ASP 114.A OD2 no hydrogen 3.450 N/A ARG 116.A NH2 ASP 256.A O no hydrogen 2.983 N/A ALA 117.A N ASP 114.A O no hydrogen 2.661 N/A SER 118.A N ASP 114.A O no hydrogen 2.965 N/A VAL 119.A N GLY 115.A O no hydrogen 2.584 N/A HIS 120.A N ARG 116.A O no hydrogen 3.232 N/A SER 121.A N ALA 117.A O no hydrogen 2.790 N/A MET 122.A N SER 118.A O no hydrogen 2.934 N/A ILE 123.A N VAL 119.A O no hydrogen 2.950 N/A THR 124.A N HIS 120.A O no hydrogen 2.798 N/A THR 124.A OG1 HIS 120.A O no hydrogen 3.107 N/A THR 124.A OG1 SER 121.A O no hydrogen 3.228 N/A ARG 125.A N SER 121.A O no hydrogen 2.835 N/A VAL 127.A N MET 122.A O no hydrogen 3.167 N/A ASP 133.A N ASP 139.A OD2 no hydrogen 2.973 N/A SER 135.A OG ASP 133.A OD1 no hydrogen 3.306 N/A ARG 138.A NH2 ASP 242.A OD2 no hydrogen 2.296 N/A ASP 139.A N SER 136.A OG no hydrogen 2.909 N/A CYS 140.A N SER 136.A O no hydrogen 3.035 N/A CYS 140.A SG ASP 133.A O no hydrogen 3.260 N/A CYS 140.A SG SER 136.A O no hydrogen 3.438 N/A LEU 141.A N TYR 137.A O no hydrogen 2.841 N/A THR 142.A N ARG 138.A O no hydrogen 3.100 N/A THR 142.A OG1 ARG 138.A O no hydrogen 2.610 N/A LYS 143.A N ASP 139.A O no hydrogen 2.881 N/A TRP 144.A N CYS 140.A O no hydrogen 2.723 N/A ASN 145.A N LEU 141.A O no hydrogen 2.747 N/A LYS 146.A N THR 142.A O no hydrogen 2.785 N/A LYS 146.A NZ GLU 149.A OE2 no hydrogen 3.464 N/A ALA 147.A N LYS 143.A O no hydrogen 2.736 N/A ILE 148.A N TRP 144.A O no hydrogen 2.750 N/A GLU 149.A N ASN 145.A O no hydrogen 3.065 N/A VAL 150.A N LYS 146.A O no hydrogen 3.372 N/A VAL 150.A N ALA 147.A O no hydrogen 3.036 N/A MET 151.A N ALA 147.A O no hydrogen 3.391 N/A TYR 152.A N ILE 148.A O no hydrogen 2.978 N/A ALA 153.A N GLU 149.A O no hydrogen 2.994 N/A GLN 154.A N VAL 150.A O no hydrogen 2.822 N/A CYS 155.A N MET 151.A O no hydrogen 2.789 N/A MET 156.A N TYR 152.A O no hydrogen 2.710 N/A GLU 157.A N ALA 153.A O no hydrogen 2.846 N/A VAL 158.A N GLN 154.A O no hydrogen 2.691 N/A GLY 159.A N CYS 155.A O no hydrogen 3.095 N/A LYS 162.A N GLY 159.A O no hydrogen 2.977 N/A LYS 162.A NZ PRO 104.A O no hydrogen 2.537 N/A CYS 163.A N GLY 159.A O no hydrogen 2.892 N/A CYS 163.A SG PHE 108.A O no hydrogen 3.857 N/A LEU 164.A N PHE 108.A O no hydrogen 2.787 N/A VAL 166.A N LEU 110.A O no hydrogen 2.863 N/A TYR 168.A N VAL 112.A O no hydrogen 3.097 N/A LEU 171.A N TYR 167.A O no hydrogen 2.821 N/A VAL 172.A N TYR 168.A O no hydrogen 2.834 N/A LEU 173.A N GLU 169.A O no hydrogen 3.096 N/A HIS 174.A N GLN 170.A O no hydrogen 2.982 N/A ARG 176.A NH1 ASP 192.A OD1 no hydrogen 3.143 N/A SER 178.A N HIS 174.A O no hydrogen 2.888 N/A SER 178.A OG GLN 170.A O no hydrogen 3.190 N/A SER 178.A OG HIS 174.A O no hydrogen 2.630 N/A LEU 179.A N PRO 175.A O no hydrogen 2.872 N/A LYS 180.A N ARG 176.A O no hydrogen 3.383 N/A LEU 181.A N ARG 177.A O no hydrogen 3.342 N/A ILE 182.A N SER 178.A O no hydrogen 3.033 N/A LEU 183.A N LEU 179.A O no hydrogen 2.787 N/A ASP 184.A N LYS 180.A O no hydrogen 2.954 N/A PHE 185.A N LEU 181.A O no hydrogen 2.682 N/A LEU 186.A N ILE 182.A O no hydrogen 2.711 N/A GLY 187.A N ASP 184.A O no hydrogen 2.875 N/A ILE 188.A N LEU 183.A O no hydrogen 2.988 N/A ALA 193.A N SER 191.A OG no hydrogen 3.040 N/A LEU 195.A N ASP 192.A O no hydrogen 2.935 N/A HIS 196.A N ALA 193.A O no hydrogen 2.564 N/A GLU 198.A N GLU 198.A OE2 no hydrogen 2.754 N/A ASP 199.A N HIS 196.A O no hydrogen 2.920 N/A LEU 200.A N HIS 197.A O no hydrogen 2.672 N/A GLY 202.A N VAL 207.A O no hydrogen 2.881 N/A GLY 206.A N LYS 203.A O no hydrogen 3.318 N/A VAL 207.A N LEU 200.A O no hydrogen 2.970 N/A SER 208.A OG GLU 38.A OE1 no hydrogen 3.474 N/A ILE 212.A N SER 210.A OG no hydrogen 3.261 N/A GLU 213.A N SER 210.A O no hydrogen 3.274 N/A GLU 213.A N SER 210.A OG no hydrogen 2.801 N/A THR 216.A OG1 SER 210.A O no hydrogen 2.957 N/A THR 216.A OG1 GLU 213.A O no hydrogen 3.029 N/A VAL 219.A N THR 216.A O no hydrogen 2.670 N/A ILE 220.A N THR 216.A O no hydrogen 3.127 N/A LEU 228.A N LEU 225.A O no hydrogen 2.895 N/A TRP 231.A NE1 TYR 264.A OH no hydrogen 3.242 N/A THR 232.A N SER 229.A O no hydrogen 3.093 N/A THR 232.A OG1 ASN 260.A O no hydrogen 3.182 N/A HIS 234.A N TRP 231.A O no hydrogen 3.150 N/A VAL 239.A N PRO 236.A O no hydrogen 2.735 N/A VAL 240.A N PRO 236.A O no hydrogen 2.986 N/A ARG 241.A N GLY 237.A O no hydrogen 2.826 N/A ARG 241.A NE ASP 242.A OD1 no hydrogen 3.397 N/A ARG 241.A NH1 ASP 242.A OD1 no hydrogen 3.519 N/A ASP 242.A N ASP 238.A O no hydrogen 2.935 N/A GLN 245.A N ASP 242.A O no hydrogen 3.039 N/A ILE 246.A N ASP 242.A O no hydrogen 3.068 N/A ALA 247.A N MET 243.A O no hydrogen 3.067 N/A GLN 252.A N PRO 248.A O no hydrogen 3.388 N/A LEU 253.A N MET 249.A O no hydrogen 2.823 N/A GLY 254.A N ALA 251.A O no hydrogen 2.781 N/A TYR 255.A N LEU 250.A O no hydrogen 2.671 N/A TYR 255.A OH VAL 112.A O no hydrogen 3.052 N/A TYR 255.A OH GLU 169.A OE1 no hydrogen 2.284 N/A TYR 258.A N ASP 256.A OD2 no hydrogen 3.280 N/A ALA 259.A N ASP 256.A O no hydrogen 2.915 N/A ASN 260.A ND2 TYR 258.A O no hydrogen 2.488 N/A TYR 264.A OH ASP 114.A OD2 no hydrogen 2.382 N/A ASP 268.A N LEU 173.A O no hydrogen 3.283 N/A ILE 272.A N ASP 268.A O no hydrogen 3.217 N/A ASN 273.A N PRO 269.A O no hydrogen 2.886 N/A ASN 274.A N PHE 270.A O no hydrogen 2.948 N/A ASN 274.A ND2 VAL 223.A O no hydrogen 3.664 N/A THR 275.A N VAL 271.A O no hydrogen 2.751 N/A THR 275.A OG1 VAL 271.A O no hydrogen 2.622 N/A GLN 276.A N ILE 272.A O no hydrogen 2.833 N/A ARG 277.A N ASN 273.A O no hydrogen 2.970 N/A ARG 277.A NH1 ASN 274.A OD1 no hydrogen 3.059 N/A ARG 277.A NH2 ASN 274.A OD1 no hydrogen 3.554 N/A VAL 278.A N ASN 274.A O no hydrogen 2.893 N/A LEU 279.A N THR 275.A O no hydrogen 3.041 N/A LYS 280.A N GLN 276.A O no hydrogen 3.052 N/A GLY 281.A N VAL 278.A O no hydrogen 3.169 N/A ASP 282.A N ARG 277.A O no hydrogen 3.382 N/A