Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a9w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 64.A OD2 no hydrogen 2.757 N/A ILE 2.A N ASN 27.A O no hydrogen 2.830 N/A LEU 3.A N ALA 65.A O no hydrogen 2.944 N/A VAL 4.A N ILE 29.A O no hydrogen 2.981 N/A THR 5.A N PHE 67.A O no hydrogen 3.114 N/A SER 7.A N SER 31.A O no hydrogen 2.916 N/A SER 7.A OG SER 31.A O no hydrogen 2.983 N/A SER 8.A N ASP 32.A OD2 no hydrogen 2.802 N/A SER 8.A OG VAL 34.A O no hydrogen 2.653 N/A THR 13.A N GLY 9.A O no hydrogen 2.926 N/A THR 13.A OG1 GLY 9.A O no hydrogen 2.652 N/A GLU 14.A N ILE 11.A O no hydrogen 2.994 N/A LEU 15.A N ILE 11.A O no hydrogen 2.800 N/A VAL 16.A N GLY 12.A O no hydrogen 3.084 N/A TYR 18.A N GLU 14.A O no hydrogen 3.183 N/A LEU 19.A N LEU 15.A O no hydrogen 2.822 N/A ALA 20.A N VAL 16.A O no hydrogen 3.056 N/A GLU 21.A N PRO 17.A O no hydrogen 2.972 N/A LYS 22.A N TYR 18.A O no hydrogen 3.218 N/A LYS 22.A NZ GLU 222.A OE2 no hydrogen 2.989 N/A TYR 23.A N LEU 19.A O no hydrogen 2.946 N/A TYR 23.A OH GLU 222.A OE2 no hydrogen 2.869 N/A GLY 24.A N ALA 20.A O no hydrogen 2.659 N/A ASN 27.A N GLY 24.A O no hydrogen 2.973 N/A ASN 27.A ND2 TYR 23.A O no hydrogen 2.864 N/A VAL 28.A N LYS 25.A O no hydrogen 3.428 N/A ILE 29.A N ILE 2.A O no hydrogen 2.913 N/A ALA 30.A N LYS 42.A O no hydrogen 2.832 N/A SER 31.A N VAL 4.A O no hydrogen 2.946 N/A SER 31.A OG VAL 4.A O no hydrogen 2.789 N/A ILE 33.A N ASP 32.A OD1 no hydrogen 2.773 N/A VAL 34.A N ASP 32.A OD1 no hydrogen 3.357 N/A THR 38.A OG1 ILE 41.A O no hydrogen 2.606 N/A GLY 39.A N ASP 37.A OD2 no hydrogen 3.277 N/A ILE 44.A N ALA 30.A O no hydrogen 2.956 N/A LEU 46.A N ASP 32.A O no hydrogen 3.051 N/A ASP 47.A N GLU 53.A OE2 no hydrogen 2.736 N/A SER 49.A N ASP 47.A OD1 no hydrogen 2.972 N/A SER 49.A OG ASP 47.A OD1 no hydrogen 2.622 N/A SER 49.A OG ASP 47.A OD2 no hydrogen 3.517 N/A ASN 50.A N ASP 47.A O no hydrogen 2.968 N/A ARG 51.A NE ASP 55.A OD1 no hydrogen 2.883 N/A GLU 53.A N ASN 50.A O no hydrogen 3.075 N/A GLU 53.A N ASN 50.A OD1 no hydrogen 3.106 N/A ILE 54.A N ASN 50.A O no hydrogen 3.410 N/A ASP 55.A N ARG 51.A O no hydrogen 3.041 N/A ARG 56.A N ASP 52.A O no hydrogen 2.985 N/A ARG 56.A NH1 ASP 52.A OD1 no hydrogen 2.865 N/A ALA 57.A N GLU 53.A O no hydrogen 3.033 N/A VAL 58.A N ILE 54.A O no hydrogen 2.923 N/A GLU 59.A N ASP 55.A O no hydrogen 2.994 N/A LYS 60.A N ARG 56.A O no hydrogen 2.957 N/A TYR 61.A N ALA 57.A O no hydrogen 3.162 N/A SER 62.A N GLU 59.A O no hydrogen 3.368 N/A ILE 63.A N VAL 58.A O no hydrogen 3.320 N/A ASP 64.A N MET 1.A O no hydrogen 2.834 N/A ILE 66.A N LYS 106.A O no hydrogen 2.945 N/A PHE 67.A N LEU 3.A O no hydrogen 3.035 N/A HIS 68.A N VAL 108.A O no hydrogen 3.002 N/A HIS 68.A NE2 THR 92.A OG1 no hydrogen 3.139 N/A LEU 69.A N THR 5.A O no hydrogen 3.149 N/A ILE 72.A N ASN 88.A OD1 no hydrogen 2.891 N/A SER 74.A OG THR 178.A OG1 no hydrogen 2.818 N/A LYS 76.A N ALA 176.A O no hydrogen 3.114 N/A GLY 77.A N LEU 73.A O no hydrogen 2.920 N/A GLU 78.A N SER 74.A O no hydrogen 3.075 N/A GLU 78.A N ALA 75.A O no hydrogen 3.007 N/A LYS 79.A N ALA 75.A O no hydrogen 3.228 N/A LYS 79.A NZ ALA 75.A O no hydrogen 2.915 N/A ASP 80.A N LYS 76.A O no hydrogen 3.145 N/A LEU 83.A N ASP 80.A OD1 no hydrogen 3.150 N/A ALA 84.A N ASP 80.A O no hydrogen 3.178 N/A TYR 85.A N PRO 81.A O no hydrogen 2.959 N/A LYS 86.A N ALA 82.A O no hydrogen 3.142 N/A VAL 87.A N LEU 83.A O no hydrogen 2.958 N/A ASN 88.A N ALA 84.A O no hydrogen 2.861 N/A ASN 88.A ND2 ILE 72.A O no hydrogen 3.022 N/A ASN 88.A ND2 THR 140.A OG1 no hydrogen 3.061 N/A MET 89.A N TYR 85.A O no hydrogen 2.953 N/A GLY 91.A N LYS 86.A O no hydrogen 3.343 N/A THR 92.A N ASN 88.A O no hydrogen 3.220 N/A THR 92.A OG1 HIS 68.A NE2 no hydrogen 3.139 N/A THR 92.A OG1 ASN 88.A O no hydrogen 2.754 N/A TYR 93.A N MET 89.A O no hydrogen 3.119 N/A ASN 94.A N ASN 90.A O no hydrogen 2.946 N/A ILE 95.A N GLY 91.A O no hydrogen 3.060 N/A LEU 96.A N THR 92.A O no hydrogen 2.940 N/A GLU 97.A N TYR 93.A O no hydrogen 2.948 N/A ALA 98.A N ASN 94.A O no hydrogen 2.893 N/A ALA 99.A N ILE 95.A O no hydrogen 2.908 N/A LYS 100.A N LEU 96.A O no hydrogen 2.987 N/A GLN 101.A N GLU 97.A O no hydrogen 3.039 N/A GLN 101.A NE2 GLU 97.A OE1 no hydrogen 3.209 N/A HIS 102.A N ALA 98.A O no hydrogen 2.956 N/A GLU 105.A N ASP 64.A O no hydrogen 2.926 N/A LYS 106.A N ASP 64.A O no hydrogen 3.391 N/A LYS 106.A NZ TYR 221.A O no hydrogen 2.743 N/A VAL 107.A N ASP 158.A O no hydrogen 3.001 N/A VAL 108.A N ILE 66.A O no hydrogen 2.829 N/A ILE 109.A N ARG 160.A O no hydrogen 2.945 N/A SER 111.A N LEU 162.A O no hydrogen 2.763 N/A SER 111.A OG GLU 145.A OE2 no hydrogen 2.625 N/A ILE 113.A N TYR 164.A O no hydrogen 3.218 N/A GLY 114.A N THR 112.A OG1 no hydrogen 2.789 N/A VAL 115.A N THR 112.A O no hydrogen 3.043 N/A PHE 116.A N ILE 113.A O no hydrogen 3.035 N/A GLY 117.A N THR 120.A OG1 no hydrogen 3.057 N/A GLU 119.A N GLU 119.A OE2 no hydrogen 2.929 N/A THR 120.A N GLY 117.A O no hydrogen 2.927 N/A THR 120.A OG1 GLY 117.A O no hydrogen 3.191 N/A THR 120.A OG1 ILE 130.A O no hydrogen 2.811 N/A LYS 124.A N SER 276.A OG no hydrogen 2.770 N/A LYS 124.A NZ SER 276.A OG no hydrogen 2.893 N/A VAL 125.A N SER 276.A O no hydrogen 3.188 N/A SER 127.A N GLU 281.A OE1 no hydrogen 3.257 N/A SER 127.A OG GLY 233.A O no hydrogen 3.530 N/A SER 127.A OG GLU 281.A OE1 no hydrogen 3.029 N/A ARG 132.A NH1 GLU 119.A OE1 no hydrogen 3.031 N/A ARG 134.A NH1 GLU 119.A OE1 no hydrogen 3.242 N/A ARG 134.A NH1 GLU 119.A OE2 no hydrogen 2.898 N/A ARG 134.A NH1 ARG 132.A O no hydrogen 2.873 N/A ARG 134.A NH2 GLU 119.A OE1 no hydrogen 2.766 N/A MET 136.A N GLU 78.A OE1 no hydrogen 2.788 N/A GLY 138.A N THR 135.A OG1 no hydrogen 2.792 N/A VAL 139.A N THR 135.A O no hydrogen 2.938 N/A THR 140.A N MET 136.A O no hydrogen 3.049 N/A THR 140.A OG1 MET 136.A O no hydrogen 3.488 N/A THR 140.A OG1 PHE 137.A O no hydrogen 2.699 N/A LYS 141.A N PHE 137.A O no hydrogen 3.107 N/A LYS 141.A NZ PRO 110.A O no hydrogen 2.896 N/A ILE 142.A N GLY 138.A O no hydrogen 3.157 N/A ALA 143.A N VAL 139.A O no hydrogen 3.140 N/A ALA 144.A N THR 140.A O no hydrogen 2.803 N/A GLU 145.A N LYS 141.A O no hydrogen 3.037 N/A LEU 146.A N ILE 142.A O no hydrogen 3.027 N/A LEU 147.A N ALA 143.A O no hydrogen 2.825 N/A GLY 148.A N ALA 144.A O no hydrogen 2.913 N/A GLN 149.A N GLU 145.A O no hydrogen 3.014 N/A GLN 149.A NE2 GLU 153.A OE1 no hydrogen 3.107 N/A TYR 150.A N LEU 146.A O no hydrogen 2.928 N/A TYR 151.A N LEU 147.A O no hydrogen 2.913 N/A TYR 151.A OH GLU 97.A OE2 no hydrogen 2.609 N/A TYR 152.A N GLY 148.A O no hydrogen 3.227 N/A GLU 153.A N GLN 149.A O no hydrogen 2.961 N/A LYS 154.A N TYR 150.A O no hydrogen 2.658 N/A PHE 155.A N TYR 151.A O no hydrogen 3.137 N/A GLY 156.A N TYR 152.A O no hydrogen 2.876 N/A LEU 157.A N TYR 151.A O no hydrogen 3.319 N/A ARG 160.A N VAL 107.A O no hydrogen 3.052 N/A ARG 160.A NE ASP 158.A OD1 no hydrogen 2.819 N/A ARG 160.A NH1 LEU 220.A O no hydrogen 2.906 N/A ARG 160.A NH1 ALA 223.A O no hydrogen 2.883 N/A ARG 160.A NH2 ASP 158.A OD1 no hydrogen 3.466 N/A ARG 160.A NH2 ASP 158.A OD2 no hydrogen 2.820 N/A SER 161.A N ARG 231.A O no hydrogen 3.324 N/A SER 161.A OG ASN 232.A OD1 no hydrogen 2.716 N/A ARG 163.A N TYR 234.A O no hydrogen 2.540 N/A ARG 163.A NE GLU 145.A OE1 no hydrogen 3.262 N/A ARG 163.A NE GLU 145.A OE2 no hydrogen 2.838 N/A ARG 163.A NH1 SER 127.A O no hydrogen 2.773 N/A ARG 163.A NH1 ASN 235.A OD1 no hydrogen 3.106 N/A ARG 163.A NH2 SER 127.A O no hydrogen 3.544 N/A ARG 163.A NH2 GLU 145.A OE1 no hydrogen 2.925 N/A TYR 164.A N SER 111.A O no hydrogen 2.993 N/A TYR 164.A OH ALA 213.A O no hydrogen 2.825 N/A GLY 166.A N PRO 206.A O no hydrogen 3.134 N/A ILE 168.A N MET 208.A O no hydrogen 2.983 N/A SER 169.A OG GLN 10.A OE1 no hydrogen 3.131 N/A SER 169.A OG ALA 172.A O no hydrogen 3.327 N/A GLY 177.A N ASP 180.A OD2 no hydrogen 3.096 N/A THR 178.A OG1 SER 74.A OG no hydrogen 2.818 N/A ALA 182.A N THR 179.A O no hydrogen 3.299 N/A VAL 183.A N ASP 180.A O no hydrogen 2.853 N/A GLU 184.A N ASP 180.A O no hydrogen 2.988 N/A ILE 185.A N TYR 181.A O no hydrogen 2.962 N/A PHE 186.A N VAL 183.A O no hydrogen 3.188 N/A TYR 187.A N GLU 184.A O no hydrogen 3.031 N/A TYR 188.A N GLU 184.A O no hydrogen 3.486 N/A ALA 189.A N ILE 185.A O no hydrogen 2.890 N/A VAL 190.A N PHE 186.A O no hydrogen 3.084 N/A LYS 191.A N TYR 187.A O no hydrogen 3.268 N/A ARG 192.A N ALA 189.A O no hydrogen 2.998 N/A ARG 192.A NE GLU 256.A OE2 no hydrogen 3.340 N/A ARG 192.A NH1 VAL 190.A O no hydrogen 2.929 N/A GLU 193.A N TYR 188.A O no hydrogen 2.958 N/A LYS 194.A NZ GLU 260.A OE1 no hydrogen 3.513 N/A TYR 195.A N GLU 258.A O no hydrogen 2.821 N/A TYR 195.A OH GLU 184.A OE1 no hydrogen 2.735 N/A CYS 197.A N GLU 260.A O no hydrogen 2.862 N/A CYS 197.A SG LEU 199.A O no hydrogen 3.548 N/A TYR 198.A OH THR 178.A O no hydrogen 2.942 N/A ALA 200.A N ASP 267.A OD1 no hydrogen 2.688 N/A ARG 203.A N ALA 200.A O no hydrogen 3.095 N/A ARG 203.A NE ASP 267.A OD1 no hydrogen 2.731 N/A ARG 203.A NH2 ASP 267.A OD1 no hydrogen 3.365 N/A ARG 203.A NH2 ASP 267.A OD2 no hydrogen 2.763 N/A LEU 205.A N PHE 241.A O no hydrogen 3.156 N/A MET 207.A N TYR 239.A O no hydrogen 2.889 N/A MET 208.A N GLY 166.A O no hydrogen 2.958 N/A TYR 209.A OH ASP 300.A OD1 no hydrogen 2.464 N/A MET 210.A N ILE 168.A O no hydrogen 2.774 N/A ASP 212.A N TYR 209.A O no hydrogen 2.960 N/A ALA 213.A N TYR 209.A O no hydrogen 3.194 N/A LEU 214.A N MET 210.A O no hydrogen 2.836 N/A LYS 215.A N PRO 211.A O no hydrogen 3.171 N/A LYS 215.A NZ ASP 219.A OD1 no hydrogen 3.088 N/A ALA 216.A N ASP 212.A O no hydrogen 2.940 N/A LEU 217.A N ALA 213.A O no hydrogen 3.235 N/A VAL 218.A N LEU 214.A O no hydrogen 3.218 N/A ASP 219.A N LYS 215.A O no hydrogen 2.736 N/A LEU 220.A N ALA 216.A O no hydrogen 2.945 N/A TYR 221.A N LEU 217.A O no hydrogen 2.979 N/A GLU 222.A N VAL 218.A O no hydrogen 3.058 N/A ALA 223.A N LEU 220.A O no hydrogen 3.238 N/A ARG 225.A NH1 GLU 105.A OE1 no hydrogen 3.442 N/A ARG 225.A NH2 GLU 105.A OE1 no hydrogen 2.803 N/A LYS 227.A N ASP 224.A O no hydrogen 3.460 N/A LYS 227.A NZ ASP 224.A OD2 no hydrogen 3.031 N/A LYS 227.A NZ ASP 226.A OD1 no hydrogen 2.813 N/A LEU 228.A N ARG 225.A O no hydrogen 3.232 N/A VAL 229.A N LYS 227.A O no hydrogen 2.941 N/A LEU 230.A N GLU 285.A OE1 no hydrogen 2.978 N/A ARG 231.A N TYR 234.A OH no hydrogen 3.100 N/A ARG 231.A NH1 ASP 158.A OD1 no hydrogen 2.825 N/A ARG 231.A NH1 VAL 159.A O no hydrogen 2.951 N/A ASN 232.A N LEU 230.A O no hydrogen 2.793 N/A ASN 232.A ND2 GLN 149.A OE1 no hydrogen 2.766 N/A ASN 232.A ND2 VAL 159.A O no hydrogen 3.246 N/A GLY 233.A N SER 161.A O no hydrogen 3.275 N/A GLY 233.A N SER 161.A OG no hydrogen 3.087 N/A TYR 234.A OH GLU 285.A OE1 no hydrogen 2.652 N/A ASN 235.A N SER 127.A OG no hydrogen 3.143 N/A ASN 235.A ND2 VAL 125.A O no hydrogen 2.918 N/A VAL 236.A N ARG 163.A O no hydrogen 3.234 N/A ALA 238.A N MET 207.A O no hydrogen 3.111 N/A TYR 239.A N MET 207.A O no hydrogen 3.230 N/A THR 240.A OG1 GLU 275.A O no hydrogen 2.683 N/A PHE 241.A N LEU 205.A O no hydrogen 3.113 N/A THR 242.A N GLU 245.A OE1 no hydrogen 2.960 N/A THR 242.A OG1 PRO 201.A O no hydrogen 3.357 N/A THR 242.A OG1 SER 244.A OG no hydrogen 3.204 N/A SER 244.A N PRO 201.A O no hydrogen 3.084 N/A SER 244.A OG PRO 201.A O no hydrogen 3.109 N/A SER 244.A OG THR 242.A OG1 no hydrogen 3.204 N/A GLU 245.A N THR 242.A OG1 no hydrogen 3.121 N/A LEU 246.A N THR 242.A O no hydrogen 3.030 N/A TYR 247.A N PRO 243.A O no hydrogen 2.919 N/A TYR 247.A OH PHE 257.A O no hydrogen 3.408 N/A SER 248.A N SER 244.A O no hydrogen 3.168 N/A LYS 249.A N GLU 245.A O no hydrogen 3.025 N/A ILE 250.A N LEU 246.A O no hydrogen 3.021 N/A LYS 251.A N TYR 247.A O no hydrogen 2.956 N/A LYS 251.A NZ PRO 255.A O no hydrogen 3.397 N/A GLU 252.A N SER 248.A O no hydrogen 3.258 N/A GLU 252.A N LYS 249.A O no hydrogen 3.265 N/A ARG 253.A N ILE 250.A O no hydrogen 2.843 N/A ARG 253.A NE ASP 299.A OD1 no hydrogen 2.778 N/A ARG 253.A NH1 LYS 249.A O no hydrogen 2.871 N/A ARG 253.A NH2 ASP 295.A OD2 no hydrogen 3.123 N/A ARG 253.A NH2 ASP 299.A OD1 no hydrogen 3.484 N/A ARG 253.A NH2 ASP 299.A OD2 no hydrogen 2.956 N/A ILE 254.A N ILE 250.A O no hydrogen 2.930 N/A GLU 260.A N TYR 195.A O no hydrogen 2.947 N/A LYS 262.A N CYS 197.A O no hydrogen 2.946 N/A GLU 263.A N GLU 263.A OE1 no hydrogen 2.856 N/A ASP 264.A N TYR 198.A O no hydrogen 3.140 N/A ARG 266.A N ASP 264.A OD1 no hydrogen 2.970 N/A ARG 266.A NE ASP 264.A OD1 no hydrogen 3.323 N/A ARG 266.A NE ASP 264.A OD2 no hydrogen 3.378 N/A ARG 266.A NH2 ASP 264.A OD2 no hydrogen 2.890 N/A ASP 267.A N ASP 264.A O no hydrogen 3.067 N/A ILE 269.A N PHE 265.A O no hydrogen 3.239 N/A ALA 270.A N ARG 266.A O no hydrogen 2.988 N/A ALA 271.A N ASP 267.A O no hydrogen 2.967 N/A THR 272.A N ILE 269.A O no hydrogen 2.893 N/A THR 272.A OG1 ILE 269.A O no hydrogen 2.717 N/A TRP 273.A N ALA 270.A O no hydrogen 3.119 N/A GLU 275.A N LYS 122.A O no hydrogen 2.829 N/A SER 276.A N LYS 122.A O no hydrogen 3.244 N/A ASP 278.A N VAL 125.A O no hydrogen 2.893 N/A SER 280.A N ASP 278.A OD1 no hydrogen 3.042 N/A SER 280.A OG ASP 278.A OD1 no hydrogen 2.707 N/A SER 283.A N SER 279.A O no hydrogen 3.256 N/A SER 283.A OG PHE 288.A O no hydrogen 2.808 N/A ASN 284.A N SER 280.A O no hydrogen 2.859 N/A GLU 285.A N GLU 281.A O no hydrogen 2.976 N/A TRP 286.A N ALA 282.A O no hydrogen 3.116 N/A GLY 287.A N SER 283.A O no hydrogen 3.069 N/A PHE 288.A N ALA 282.A O no hydrogen 3.295 N/A GLU 291.A N ASP 212.A OD1 no hydrogen 2.865 N/A GLU 291.A N ASP 212.A OD2 no hydrogen 3.288 N/A TYR 292.A N ASP 212.A OD2 no hydrogen 2.917 N/A ARG 296.A N ASP 293.A OD1 no hydrogen 2.851 N/A THR 297.A N ASP 293.A O no hydrogen 2.960 N/A THR 297.A OG1 TYR 239.A OH no hydrogen 3.232 N/A ILE 298.A N LEU 294.A O no hydrogen 2.948 N/A ASP 299.A N ASP 295.A O no hydrogen 3.076 N/A ASP 300.A N ARG 296.A O no hydrogen 3.159 N/A MET 301.A N THR 297.A O no hydrogen 2.981 N/A ILE 302.A N ILE 298.A O no hydrogen 3.016 N/A ASP 303.A N ASP 299.A O no hydrogen 3.220 N/A HIS 304.A N ASP 300.A O no hydrogen 3.128 N/A ILE 305.A N MET 301.A O no hydrogen 2.912 N/A SER 306.A N ILE 302.A O no hydrogen 3.042 N/A SER 306.A OG ILE 302.A O no hydrogen 2.856 N/A GLU 307.A N ASP 303.A O no hydrogen 3.162 N/A LYS 308.A N HIS 304.A O no hydrogen 2.982 N/A LYS 308.A NZ TYR 170.A O no hydrogen 3.056 N/A LYS 308.A NZ GLU 173.A OE2 no hydrogen 3.473 N/A LEU 309.A N ILE 305.A O no hydrogen 2.995 N/A GLY 310.A N GLU 307.A O no hydrogen 3.188 N/A ILE 311.A N SER 306.A O no hydrogen 2.946 N/A GLU 312.A N SER 306.A O no hydrogen 3.390 N/A