Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qap_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.689 N/A ALA 6.A N ASP 2.A O no hydrogen 2.664 N/A LEU 7.A N ARG 3.A O no hydrogen 2.707 N/A LEU 8.A N ARG 4.A O no hydrogen 2.832 N/A GLU 9.A N ASP 5.A O no hydrogen 3.176 N/A ARG 10.A N ALA 6.A O no hydrogen 3.252 N/A ARG 10.A NE ASP 14.A OD1 no hydrogen 3.436 N/A ILE 11.A N LEU 7.A O no hydrogen 3.005 N/A LEU 13.A N GLU 9.A O no hydrogen 3.212 N/A ASP 14.A N ARG 10.A O no hydrogen 2.857 N/A ASP 14.A N ILE 11.A O no hydrogen 2.932 N/A ILE 15.A N ILE 11.A O no hydrogen 2.604 N/A ALA 18.A N ASP 14.A O no hydrogen 3.087 N/A ALA 18.A N ILE 15.A O no hydrogen 3.149 N/A VAL 19.A N ILE 15.A O no hydrogen 2.932 N/A ALA 20.A N PRO 16.A O no hydrogen 2.753 N/A ALA 22.A N ALA 18.A O no hydrogen 2.895 N/A LEU 23.A N VAL 19.A O no hydrogen 3.031 N/A ARG 24.A N ALA 20.A O no hydrogen 2.941 N/A GLU 25.A N GLN 21.A O no hydrogen 2.909 N/A ASP 26.A N LEU 23.A O no hydrogen 3.018 N/A LEU 27.A N LEU 23.A O no hydrogen 2.835 N/A GLU 30.A N GLY 28.A O no hydrogen 2.769 N/A ASN 35.A N ASP 32.A O no hydrogen 2.997 N/A GLN 40.A N ILE 37.A O no hydrogen 2.787 N/A GLN 40.A NE2 GLY 34.A O no hydrogen 2.819 N/A LEU 42.A N ALA 39.A O no hydrogen 3.118 N/A ASP 45.A N PRO 43.A O no hydrogen 2.640 N/A THR 46.A N PRO 43.A O no hydrogen 3.050 N/A THR 46.A OG1 PRO 43.A O no hydrogen 3.331 N/A ALA 48.A N GLY 101.A O no hydrogen 2.843 N/A HIS 49.A NE2 GLU 98.A OE1 no hydrogen 3.160 N/A THR 51.A N ARG 287.A O no hydrogen 2.745 N/A VAL 52.A N PHE 97.A O no hydrogen 3.007 N/A ILE 53.A N SER 285.A O no hydrogen 2.858 N/A THR 54.A N GLN 94.A O no hydrogen 3.334 N/A THR 54.A OG1 GLU 56.A O no hydrogen 2.780 N/A ARG 55.A N ASP 283.A O no hydrogen 2.775 N/A GLU 56.A N THR 54.A OG1 no hydrogen 3.325 N/A GLY 58.A N ILE 90.A O no hydrogen 2.846 N/A VAL 59.A N SER 125.A OG no hydrogen 2.949 N/A PHE 60.A N ASP 88.A O no hydrogen 2.844 N/A CYS 61.A N SER 121.A OG no hydrogen 2.965 N/A LYS 63.A N ASP 86.A OD1 no hydrogen 2.937 N/A LYS 63.A NZ ASP 85.A OD1 no hydrogen 2.973 N/A ARG 64.A NE ARG 64.A O no hydrogen 3.066 N/A VAL 66.A N GLY 62.A O no hydrogen 3.183 N/A GLU 67.A N LYS 63.A O no hydrogen 3.214 N/A GLU 68.A N ARG 64.A O no hydrogen 3.209 N/A VAL 69.A N TRP 65.A O no hydrogen 3.075 N/A PHE 70.A N VAL 66.A O no hydrogen 3.472 N/A ILE 71.A N GLU 67.A O no hydrogen 3.070 N/A GLN 72.A N GLU 68.A O no hydrogen 2.848 N/A GLN 72.A NE2 PRO 16.A O no hydrogen 3.611 N/A LEU 73.A N VAL 69.A O no hydrogen 3.217 N/A ALA 74.A N PHE 70.A O no hydrogen 2.691 N/A ASP 77.A N ALA 74.A O no hydrogen 3.060 N/A ARG 79.A N GLN 100.A O no hydrogen 2.779 N/A THR 81.A N GLU 98.A O no hydrogen 2.995 N/A THR 81.A OG1 GLU 98.A O no hydrogen 3.207 N/A HIS 83.A N VAL 96.A O no hydrogen 3.015 N/A HIS 83.A NE2 GLU 98.A OE2 no hydrogen 3.083 N/A GLY 87.A N ASP 85.A O no hydrogen 2.632 N/A ASP 88.A N ASP 85.A O no hydrogen 3.181 N/A ILE 90.A N GLY 58.A O no hydrogen 2.741 N/A HIS 91.A N GLN 94.A OE1 no hydrogen 3.085 N/A HIS 91.A ND1 GLN 94.A OE1 no hydrogen 3.115 N/A ALA 92.A N ASP 57.A OD1 no hydrogen 3.010 N/A ASN 93.A N THR 54.A O no hydrogen 2.761 N/A GLN 94.A N HIS 91.A O no hydrogen 2.967 N/A VAL 96.A N VAL 52.A O no hydrogen 2.889 N/A GLU 98.A N THR 81.A O no hydrogen 2.786 N/A LEU 99.A N ALA 50.A O no hydrogen 2.887 N/A GLN 100.A N ARG 79.A O no hydrogen 2.890 N/A GLY 101.A N ALA 48.A O no hydrogen 3.037 N/A ALA 103.A N THR 46.A O no hydrogen 2.801 N/A ARG 104.A NE ALA 39.A O no hydrogen 3.382 N/A ARG 104.A NE LEU 42.A O no hydrogen 3.139 N/A ARG 104.A NH2 GLN 40.A O no hydrogen 2.997 N/A LEU 106.A N PRO 102.A O no hydrogen 3.509 N/A LEU 107.A N ALA 103.A O no hydrogen 3.347 N/A THR 108.A N ARG 104.A O no hydrogen 3.141 N/A THR 108.A OG1 ASP 36.A OD2 no hydrogen 2.579 N/A THR 108.A OG1 ARG 104.A O no hydrogen 3.374 N/A GLY 109.A N VAL 105.A O no hydrogen 2.714 N/A ALA 113.A N GLY 109.A O no hydrogen 3.006 N/A LEU 114.A N GLU 110.A O no hydrogen 2.943 N/A ASN 115.A N ARG 111.A O no hydrogen 2.811 N/A PHE 116.A N THR 112.A O no hydrogen 3.199 N/A VAL 117.A N ALA 113.A O no hydrogen 3.435 N/A GLN 118.A N LEU 114.A O no hydrogen 2.809 N/A THR 119.A OG1 ASN 115.A O no hydrogen 2.455 N/A THR 119.A OG1 PHE 116.A O no hydrogen 3.555 N/A LEU 120.A N PHE 116.A O no hydrogen 3.000 N/A SER 121.A N VAL 117.A O no hydrogen 2.821 N/A SER 121.A OG CYS 61.A O no hydrogen 2.666 N/A SER 121.A OG VAL 117.A O no hydrogen 3.078 N/A GLY 122.A N GLN 118.A O no hydrogen 2.773 N/A VAL 123.A N THR 119.A O no hydrogen 2.919 N/A ALA 124.A N LEU 120.A O no hydrogen 2.894 N/A SER 125.A N SER 121.A O no hydrogen 2.826 N/A SER 125.A OG VAL 59.A O no hydrogen 3.316 N/A SER 125.A OG SER 121.A O no hydrogen 2.615 N/A GLU 126.A N GLY 122.A O no hydrogen 3.156 N/A VAL 127.A N VAL 123.A O no hydrogen 2.837 N/A ARG 128.A N ALA 124.A O no hydrogen 3.240 N/A ARG 129.A N SER 125.A O no hydrogen 3.361 N/A ARG 129.A NH2 GLU 126.A OE2 no hydrogen 3.457 N/A TYR 130.A N GLU 126.A O no hydrogen 3.078 N/A VAL 131.A N VAL 127.A O no hydrogen 2.817 N/A GLY 132.A N ARG 128.A O no hydrogen 2.712 N/A LEU 134.A N VAL 131.A O no hydrogen 3.265 N/A THR 137.A OG1 ALA 135.A O no hydrogen 3.389 N/A THR 139.A OG1 ALA 263.A O no hydrogen 3.062 N/A THR 139.A OG1 VAL 267.A O no hydrogen 2.846 N/A GLN 140.A N ASP 268.A O no hydrogen 3.022 N/A LYS 146.A N THR 144.A OG1 no hydrogen 3.323 N/A LEU 151.A N LEU 148.A O no hydrogen 3.114 N/A ARG 152.A NE THR 147.A OG1 no hydrogen 3.141 N/A LEU 155.A N LEU 151.A O no hydrogen 2.763 N/A LYS 156.A N ARG 152.A O no hydrogen 3.182 N/A LYS 156.A NZ ASP 143.A OD1 no hydrogen 2.983 N/A LYS 156.A NZ ASP 143.A OD2 no hydrogen 3.099 N/A TYR 157.A N THR 153.A O no hydrogen 3.086 N/A TYR 157.A OH ASP 86.A OD2 no hydrogen 2.950 N/A ALA 158.A N ALA 154.A O no hydrogen 3.043 N/A VAL 159.A N LEU 155.A O no hydrogen 2.901 N/A LEU 160.A N LYS 156.A O no hydrogen 3.137 N/A CYS 161.A N TYR 157.A O no hydrogen 2.858 N/A CYS 161.A SG ASP 86.A O no hydrogen 2.913 N/A CYS 161.A SG TYR 157.A O no hydrogen 3.322 N/A GLY 162.A N ALA 158.A O no hydrogen 2.713 N/A GLY 163.A N LEU 160.A O no hydrogen 2.990 N/A GLY 164.A N VAL 159.A O no hydrogen 2.843 N/A ALA 165.A N LEU 141.A O no hydrogen 3.277 N/A HIS 167.A N ASP 143.A OD1 no hydrogen 2.690 N/A ARG 168.A NE ALA 174.A O no hydrogen 3.299 N/A ARG 168.A NH2 ALA 174.A O no hydrogen 3.185 N/A LEU 169.A N ASP 173.A OD2 no hydrogen 3.127 N/A GLY 170.A N ASP 173.A OD1 no hydrogen 3.216 N/A PHE 175.A N PRO 203.A O no hydrogen 3.032 N/A ILE 177.A N GLU 205.A O no hydrogen 2.740 N/A LYS 178.A N HIS 181.A ND1 no hydrogen 2.973 N/A ILE 182.A N LYS 178.A O no hydrogen 2.784 N/A ILE 183.A N GLU 179.A O no hydrogen 3.017 N/A ALA 184.A N ASN 180.A O no hydrogen 3.101 N/A SER 185.A N HIS 181.A O no hydrogen 3.237 N/A SER 185.A OG HIS 181.A O no hydrogen 3.438 N/A GLY 186.A N ILE 183.A O no hydrogen 3.187 N/A SER 187.A OG GLN 190.A OE1 no hydrogen 3.396 N/A GLN 190.A N SER 187.A OG no hydrogen 3.102 N/A ALA 191.A N SER 187.A O no hydrogen 2.903 N/A VAL 192.A N VAL 188.A O no hydrogen 2.854 N/A GLU 193.A N ARG 189.A O no hydrogen 3.201 N/A LYS 194.A N GLN 190.A O no hydrogen 3.127 N/A ALA 195.A N ALA 191.A O no hydrogen 3.109 N/A PHE 196.A N VAL 192.A O no hydrogen 3.086 N/A LEU 198.A N LYS 194.A O no hydrogen 2.864 N/A LEU 198.A N ALA 195.A O no hydrogen 2.832 N/A HIS 199.A N ALA 195.A O no hydrogen 3.241 N/A VAL 202.A N HIS 199.A O no hydrogen 3.331 N/A VAL 204.A N ASP 223.A OD2 no hydrogen 2.865 N/A GLU 205.A N PHE 175.A O no hydrogen 2.911 N/A VAL 206.A N ILE 224.A O no hydrogen 3.128 N/A GLU 207.A N ILE 177.A O no hydrogen 2.921 N/A VAL 208.A N MET 226.A O no hydrogen 2.888 N/A GLU 209.A N GLU 213.A OE1 no hydrogen 2.969 N/A ASP 212.A N ASN 210.A OD1 no hydrogen 2.688 N/A LEU 214.A N ASN 210.A O no hydrogen 3.147 N/A ASP 215.A N ASP 212.A O no hydrogen 3.022 N/A ASP 216.A N ASP 212.A O no hydrogen 3.484 N/A ALA 217.A N LEU 214.A O no hydrogen 3.107 N/A LEU 218.A N LEU 214.A O no hydrogen 2.871 N/A LYS 219.A N ASP 215.A O no hydrogen 3.114 N/A LYS 219.A NZ ASP 216.A O no hydrogen 2.788 N/A GLY 221.A N LEU 218.A O no hydrogen 3.013 N/A ILE 224.A N VAL 204.A O no hydrogen 3.184 N/A ILE 225.A N ARG 247.A O no hydrogen 2.611 N/A MET 226.A N VAL 206.A O no hydrogen 3.334 N/A LEU 227.A N GLU 249.A O no hydrogen 3.050 N/A ASP 228.A N VAL 208.A O no hydrogen 2.877 N/A THR 232.A OG1 ASP 233.A OD1 no hydrogen 3.186 N/A GLN 234.A NE2 ASN 231.A OD1 no hydrogen 2.892 N/A MET 235.A N ASN 231.A O no hydrogen 2.925 N/A ARG 236.A N THR 232.A O no hydrogen 2.989 N/A GLU 237.A N ASP 233.A O no hydrogen 2.972 N/A ALA 238.A N GLN 234.A O no hydrogen 2.777 N/A VAL 239.A N MET 235.A O no hydrogen 2.975 N/A LYS 240.A N ARG 236.A O no hydrogen 3.262 N/A ARG 241.A N GLU 237.A O no hydrogen 3.259 N/A ARG 241.A N ALA 238.A O no hydrogen 2.954 N/A ARG 241.A NH2 GLU 237.A OE1 no hydrogen 3.158 N/A VAL 242.A N VAL 239.A O no hydrogen 2.902 N/A ASN 243.A ND2 LYS 240.A O no hydrogen 3.009 N/A ALA 246.A N ASN 243.A O no hydrogen 3.258 N/A ARG 247.A NH1 ALA 246.A O no hydrogen 3.301 N/A LEU 248.A N ASP 268.A OD2 no hydrogen 3.112 N/A GLU 249.A N ILE 225.A O no hydrogen 3.098 N/A VAL 250.A N PHE 269.A O no hydrogen 2.745 N/A LEU 259.A N THR 255.A O no hydrogen 3.058 N/A ARG 260.A NH2 ALA 135.A O no hydrogen 2.801 N/A PHE 262.A N THR 258.A O no hydrogen 3.072 N/A ALA 263.A N LEU 259.A O no hydrogen 3.010 N/A GLU 264.A N ARG 260.A O no hydrogen 2.854 N/A THR 265.A N GLU 261.A O no hydrogen 3.222 N/A THR 265.A N PHE 262.A O no hydrogen 2.749 N/A THR 265.A OG1 PHE 262.A O no hydrogen 2.507 N/A GLY 266.A N ALA 263.A O no hydrogen 2.800 N/A PHE 269.A N LEU 248.A O no hydrogen 2.820 N/A ILE 270.A N GLN 140.A O no hydrogen 2.991 N/A SER 271.A N VAL 250.A O no hydrogen 2.903 N/A SER 271.A OG GLU 249.A OE2 no hydrogen 2.839 N/A SER 271.A OG VAL 250.A O no hydrogen 3.538 N/A VAL 272.A N LEU 142.A O no hydrogen 3.052 N/A GLY 273.A N ASN 253.A OD1 no hydrogen 3.130 N/A ALA 274.A N ASN 253.A OD1 no hydrogen 3.201 N/A THR 276.A N GLY 273.A O no hydrogen 3.133 N/A THR 276.A OG1 LYS 146.A O no hydrogen 3.153 N/A LYS 277.A N GLY 273.A O no hydrogen 3.143 N/A LEU 282.A N GLN 118.A O no hydrogen 3.158 N/A LEU 284.A N GLN 118.A OE1 no hydrogen 3.445 N/A SER 285.A N ILE 53.A O no hydrogen 3.200 N/A ARG 287.A N THR 51.A O no hydrogen 2.695 N/A CYS 289.A SG HIS 49.A ND1 no hydrogen 2.861 N/A CYS 289.A SG HIS 49.A O no hydrogen 3.143 N/A