Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a3j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N GLU 104.A OE2 no hydrogen 2.574 N/A ALA 5.A N VAL 21.A O no hydrogen 2.875 N/A LEU 6.A N LEU 102.A O no hydrogen 3.019 N/A GLN 7.A N GLU 19.A O no hydrogen 2.933 N/A TYR 8.A N CYS 64.A O no hydrogen 2.977 N/A SER 10.A OG TYR 11.A O no hydrogen 3.277 N/A GLY 12.A N GLN 50.A O no hydrogen 2.961 N/A GLY 17.A N GLY 13.A O no hydrogen 3.234 N/A GLY 17.A N GLY 14.A O no hydrogen 3.079 N/A LEU 18.A N ALA 15.A O no hydrogen 3.247 N/A GLU 19.A N GLN 7.A O no hydrogen 2.715 N/A VAL 21.A N ALA 5.A O no hydrogen 2.927 N/A VAL 23.A N MET 3.A O no hydrogen 2.686 N/A VAL 25.A N LYS 1.A O no hydrogen 2.879 N/A LYS 29.A N GLU 32.A OE1 no hydrogen 2.914 N/A LYS 29.A NZ GLU 32.A OE2 no hydrogen 3.559 N/A GLU 32.A N LYS 29.A O no hydrogen 3.005 N/A VAL 33.A N ALA 108.A O no hydrogen 2.660 N/A CYS 34.A N GLU 76.A O no hydrogen 2.737 N/A CYS 34.A SG PRO 26.A O no hydrogen 3.941 N/A LEU 35.A N ALA 106.A O no hydrogen 2.797 N/A LYS 36.A N GLU 73.A O no hydrogen 2.829 N/A LEU 37.A N GLU 104.A O no hydrogen 2.773 N/A GLU 38.A N ALA 71.A O no hydrogen 2.842 N/A ALA 39.A N ALA 71.A O no hydrogen 3.017 N/A THR 40.A N VAL 324.A O no hydrogen 2.739 N/A THR 40.A OG1 GLY 101.A O no hydrogen 2.717 N/A SER 41.A N ASP 69.A O no hydrogen 2.816 N/A SER 41.A OG LEU 42.A O no hydrogen 3.397 N/A LEU 42.A N ILE 322.A O no hydrogen 3.114 N/A ASN 43.A N ASP 46.A OD2 no hydrogen 2.934 N/A ASN 43.A ND2 ASP 69.A OD2 no hydrogen 3.016 N/A ASP 46.A N ASN 43.A O no hydrogen 2.895 N/A TRP 47.A N PRO 44.A O no hydrogen 3.208 N/A LYS 48.A N PRO 44.A O no hydrogen 3.142 N/A ILE 49.A N VAL 45.A O no hydrogen 2.862 N/A GLN 50.A NE2 GLY 14.A O no hydrogen 2.875 N/A LYS 51.A N TRP 47.A O no hydrogen 2.882 N/A GLY 52.A N LYS 48.A O no hydrogen 3.026 N/A GLY 52.A N ILE 49.A O no hydrogen 3.125 N/A MET 53.A N LYS 48.A O no hydrogen 3.057 N/A ARG 55.A N GLY 52.A O no hydrogen 3.243 N/A LEU 58.A N ILE 54.A O no hydrogen 2.967 N/A ARG 60.A NE PHE 57.A O no hydrogen 3.088 N/A ARG 60.A NH2 PHE 57.A O no hydrogen 3.232 N/A CYS 64.A N TYR 8.A O no hydrogen 2.948 N/A CYS 64.A SG.A TYR 8.A OH no hydrogen 3.579 N/A CYS 64.A SG.B TYR 8.A O no hydrogen 3.992 N/A CYS 64.A SG.B LYS 61.A O no hydrogen 3.290 N/A THR 68.A OG1 ASP 69.A OD1 no hydrogen 3.445 N/A VAL 70.A N ALA 92.A O no hydrogen 3.282 N/A ALA 71.A N ALA 39.A O no hydrogen 2.814 N/A GLY 72.A N VAL 90.A O no hydrogen 3.031 N/A GLU 73.A N LYS 36.A O no hydrogen 2.995 N/A VAL 74.A N ASP 88.A O no hydrogen 2.768 N/A VAL 75.A N CYS 34.A O no hydrogen 2.707 N/A GLU 76.A N CYS 34.A O no hydrogen 3.418 N/A GLY 78.A N GLU 32.A O no hydrogen 3.070 N/A GLY 80.A N SER 30.A O no hydrogen 2.726 N/A VAL 81.A N GLY 78.A O no hydrogen 3.176 N/A LYS 82.A N GLU 110.A OE2 no hydrogen 3.299 N/A ASN 83.A N GLU 110.A OE2 no hydrogen 2.964 N/A ASN 83.A ND2 GLU 110.A OE2 no hydrogen 2.449 N/A LYS 85.A N ASP 88.A OD2 no hydrogen 2.730 N/A LYS 85.A NZ ASP 88.A OD1 no hydrogen 2.862 N/A GLY 87.A N VAL 74.A O no hydrogen 2.824 N/A ASP 88.A N LYS 85.A O no hydrogen 3.203 N/A LYS 89.A NZ GLU 38.A OE2 no hydrogen 2.738 N/A LYS 89.A NZ GLU 73.A OE1 no hydrogen 2.846 N/A VAL 90.A N GLY 72.A O no hydrogen 2.691 N/A VAL 91.A N VAL 114.A O no hydrogen 2.801 N/A ALA 92.A N VAL 70.A O no hydrogen 2.858 N/A VAL 93.A N LEU 112.A O no hydrogen 2.978 N/A LEU 94.A N THR 68.A O no hydrogen 2.888 N/A LEU 97.A N SER 95.A OG no hydrogen 2.821 N/A GLY 98.A N SER 95.A O no hydrogen 3.350 N/A GLY 99.A N SER 95.A O no hydrogen 2.984 N/A GLY 100.A N ILE 65.A O no hydrogen 2.741 N/A GLY 101.A N ALA 67.A O no hydrogen 2.907 N/A LEU 102.A N PRO 66.A O no hydrogen 2.968 N/A ALA 103.A N GLY 101.A O no hydrogen 3.000 N/A GLU 104.A N HIS 4.A O no hydrogen 3.247 N/A ALA 106.A N LEU 35.A O no hydrogen 3.139 N/A ALA 108.A N VAL 33.A O no hydrogen 2.847 N/A GLU 110.A N ASN 31.A O no hydrogen 2.798 N/A LEU 112.A N THR 109.A O no hydrogen 3.166 N/A THR 113.A N GLU 110.A O no hydrogen 3.194 N/A THR 113.A OG1 THR 109.A O no hydrogen 2.588 N/A VAL 114.A N VAL 91.A O no hydrogen 2.787 N/A ARG 116.A N LYS 89.A O no hydrogen 2.784 N/A ARG 116.A NE VAL 120.A O no hydrogen 3.279 N/A ARG 116.A NH1 GLU 38.A OE1 no hydrogen 2.976 N/A ARG 116.A NH1 GLY 72.A O no hydrogen 3.510 N/A ARG 116.A NH1 VAL 90.A O no hydrogen 3.042 N/A ARG 116.A NH2 GLU 38.A OE1 no hydrogen 2.714 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.651 N/A VAL 120.A N PRO 117.A O no hydrogen 3.220 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.654 N/A ALA 125.A N GLY 121.A O no hydrogen 3.203 N/A ALA 126.A N ALA 122.A O no hydrogen 2.897 N/A ALA 127.A N ALA 123.A O no hydrogen 3.308 N/A LEU 128.A N ALA 125.A O no hydrogen 2.945 N/A VAL 130.A N ASP 69.A OD1 no hydrogen 3.396 N/A VAL 130.A N ASP 69.A OD2 no hydrogen 2.892 N/A GLY 132.A N LEU 128.A O no hydrogen 2.600 N/A LEU 133.A N PRO 129.A O no hydrogen 2.915 N/A THR 134.A N VAL 130.A O no hydrogen 3.015 N/A THR 134.A OG1 VAL 130.A O no hydrogen 2.676 N/A ALA 135.A N ALA 131.A O no hydrogen 2.997 N/A LEU 136.A N GLY 132.A O no hydrogen 2.811 N/A GLN 137.A N LEU 133.A O no hydrogen 2.670 N/A GLN 137.A NE2 LEU 273.A O no hydrogen 2.994 N/A ALA 138.A N THR 134.A O no hydrogen 2.914 N/A LEU 139.A N ALA 135.A O no hydrogen 3.138 N/A THR 140.A N LEU 136.A O no hydrogen 2.899 N/A THR 140.A OG1 LEU 136.A O no hydrogen 2.722 N/A ASN 141.A N GLN 137.A O no hydrogen 2.816 N/A ALA 143.A N ALA 138.A O no hydrogen 3.222 N/A LEU 145.A N LEU 139.A O no hydrogen 3.048 N/A GLY 149.A N ASP 148.A OD1 no hydrogen 2.457 N/A THR 150.A N ASP 148.A OD1 no hydrogen 2.566 N/A THR 150.A OG1 ASP 148.A OD1 no hydrogen 2.671 N/A THR 150.A OG1 ASP 148.A OD2 no hydrogen 2.767 N/A ASN 155.A N ASP 220.A OD2 no hydrogen 2.788 N/A ASN 155.A ND2 LYS 218.A O no hydrogen 3.035 N/A ILE 156.A N HIS 179.A O no hydrogen 2.728 N/A LEU 157.A N ALA 221.A O no hydrogen 3.015 N/A VAL 158.A N THR 181.A O no hydrogen 2.797 N/A THR 159.A N VAL 223.A O no hydrogen 3.228 N/A THR 159.A OG1 VAL 223.A O no hydrogen 3.277 N/A THR 159.A OG1 HIS 224.A ND1 no hydrogen 2.824 N/A ALA 160.A N THR 183.A OG1 no hydrogen 3.257 N/A ALA 161.A N THR 183.A O no hydrogen 2.868 N/A GLY 163.A N ALA 160.A O no hydrogen 3.304 N/A HIS 167.A N GLY 163.A O no hydrogen 2.882 N/A HIS 167.A ND1 GLY 163.A O no hydrogen 3.226 N/A HIS 167.A ND1 GLY 164.A O no hydrogen 3.047 N/A TYR 168.A OH THR 295.A OG1 no hydrogen 2.631 N/A ALA 169.A N VAL 165.A O no hydrogen 2.872 N/A VAL 170.A N GLY 166.A O no hydrogen 3.129 N/A GLN 171.A NE2 HIS 167.A O no hydrogen 3.060 N/A GLN 171.A NE2 LYS 294.A O no hydrogen 2.853 N/A LEU 172.A N TYR 168.A O no hydrogen 2.940 N/A ALA 173.A N ALA 169.A O no hydrogen 2.938 N/A LYS 174.A N VAL 170.A O no hydrogen 3.137 N/A LYS 174.A NZ ALA 178.A O no hydrogen 3.039 N/A LYS 174.A NZ ASP 198.A OD1 no hydrogen 3.144 N/A LYS 174.A NZ ASP 198.A OD2 no hydrogen 2.730 N/A LEU 175.A N GLN 171.A O no hydrogen 3.276 N/A ALA 176.A N LEU 172.A O no hydrogen 3.278 N/A ALA 176.A N ALA 173.A O no hydrogen 3.258 N/A ASN 177.A N LYS 174.A O no hydrogen 2.970 N/A ALA 178.A N ALA 173.A O no hydrogen 3.204 N/A HIS 179.A N ALA 154.A O no hydrogen 2.892 N/A VAL 180.A N ASP 198.A OD2 no hydrogen 2.831 N/A THR 181.A N ILE 156.A O no hydrogen 2.813 N/A THR 181.A OG1 GLU 199.A OE1 no hydrogen 2.967 N/A ALA 182.A N GLU 199.A O no hydrogen 2.658 N/A THR 183.A N VAL 158.A O no hydrogen 3.047 N/A CYS 184.A N LEU 201.A O no hydrogen 3.182 N/A CYS 184.A SG GLY 185.A O no hydrogen 3.384 N/A ASN 188.A N GLY 185.A O no hydrogen 3.065 N/A ILE 189.A N ALA 186.A O no hydrogen 3.326 N/A VAL 192.A N ASN 188.A O no hydrogen 2.923 N/A LYS 193.A N ILE 189.A O no hydrogen 3.245 N/A LYS 193.A NZ GLU 190.A OE2 no hydrogen 3.485 N/A SER 194.A N GLU 190.A O no hydrogen 3.161 N/A SER 194.A OG PHE 191.A O no hydrogen 2.719 N/A LEU 195.A N VAL 192.A O no hydrogen 3.154 N/A GLY 196.A N LYS 193.A O no hydrogen 3.044 N/A ASP 198.A N VAL 180.A O no hydrogen 2.866 N/A GLU 199.A N VAL 180.A O no hydrogen 3.041 N/A LEU 201.A N ALA 182.A O no hydrogen 2.761 N/A TYR 203.A N CYS 184.A O no hydrogen 3.248 N/A LYS 204.A N ASP 202.A OD1 no hydrogen 2.966 N/A THR 205.A N ASP 202.A O no hydrogen 3.050 N/A THR 205.A OG1 ASP 202.A O no hydrogen 2.663 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.816 N/A GLY 208.A N THR 205.A OG1 no hydrogen 3.349 N/A ALA 209.A N THR 205.A O no hydrogen 3.374 N/A LEU 211.A N GLY 208.A O no hydrogen 3.198 N/A LYS 212.A N GLU 207.A O no hydrogen 2.602 N/A SER 213.A OG GLU 199.A OE1 no hydrogen 2.500 N/A SER 213.A OG GLU 199.A OE2 no hydrogen 3.105 N/A SER 215.A N GLU 199.A OE2 no hydrogen 2.932 N/A SER 215.A OG GLU 199.A OE2 no hydrogen 2.554 N/A GLY 216.A N SER 213.A O no hydrogen 2.361 N/A LYS 217.A N SER 213.A OG no hydrogen 3.154 N/A TYR 219.A N ASN 237.A O no hydrogen 2.817 N/A TYR 219.A OH LEU 211.A O no hydrogen 2.940 N/A ASP 220.A N ASN 155.A O no hydrogen 2.821 N/A ALA 221.A N ASN 155.A O no hydrogen 3.352 N/A VAL 222.A N LYS 243.A O no hydrogen 2.833 N/A VAL 223.A N LEU 157.A O no hydrogen 2.917 N/A HIS 224.A N ILE 245.A O no hydrogen 2.883 N/A HIS 224.A ND1 THR 159.A OG1 no hydrogen 2.824 N/A CYS 225.A N THR 159.A OG1 no hydrogen 2.853 N/A CYS 225.A SG VAL 223.A O no hydrogen 3.775 N/A VAL 233.A N PRO 230.A O no hydrogen 2.988 N/A GLU 235.A N PHE 231.A O no hydrogen 2.895 N/A ASN 237.A N PHE 234.A O no hydrogen 2.743 N/A ASN 237.A ND2 ALA 210.A O no hydrogen 2.591 N/A ASN 237.A ND2 VAL 233.A O no hydrogen 3.544 N/A LEU 238.A N GLU 235.A O no hydrogen 3.032 N/A SER 239.A N TYR 219.A O no hydrogen 2.898 N/A SER 239.A OG ASP 220.A OD1 no hydrogen 3.307 N/A ASN 241.A ND2 LYS 266.A O no hydrogen 3.434 N/A GLY 242.A N SER 239.A O no hydrogen 3.236 N/A LYS 243.A N ASP 220.A O no hydrogen 3.042 N/A VAL 244.A N GLN 268.A O no hydrogen 2.967 N/A ILE 245.A N VAL 222.A O no hydrogen 2.714 N/A ASP 246.A N VAL 270.A O no hydrogen 2.964 N/A ILE 247.A N HIS 224.A O no hydrogen 3.335 N/A THR 248.A N ASP 246.A OD1 no hydrogen 3.092 N/A MET 254.A N GLY 250.A O no hydrogen 2.892 N/A TRP 255.A N PRO 251.A O no hydrogen 2.845 N/A THR 256.A N ASN 252.A O no hydrogen 2.941 N/A THR 256.A OG1 ASN 252.A O no hydrogen 3.094 N/A TYR 257.A N ALA 253.A O no hydrogen 2.844 N/A ALA 258.A N MET 254.A O no hydrogen 3.123 N/A VAL 259.A N TRP 255.A O no hydrogen 2.910 N/A LYS 260.A N THR 256.A O no hydrogen 2.808 N/A LYS 261.A N TYR 257.A O no hydrogen 3.007 N/A ILE 262.A N ALA 258.A O no hydrogen 2.868 N/A THR 263.A N VAL 259.A O no hydrogen 2.908 N/A THR 263.A OG1 VAL 259.A O no hydrogen 2.909 N/A MET 264.A N LYS 261.A O no hydrogen 3.038 N/A SER 265.A N LYS 260.A O no hydrogen 2.870 N/A LYS 267.A NZ GLU 235.A O no hydrogen 2.932 N/A GLN 268.A N GLY 242.A O no hydrogen 3.102 N/A VAL 270.A N VAL 244.A O no hydrogen 2.884 N/A LEU 272.A N ASP 246.A O no hydrogen 3.024 N/A ILE 275.A N GLN 137.A OE1 no hydrogen 2.809 N/A ASN 280.A N LYS 277.A O no hydrogen 2.946 N/A LEU 281.A N LYS 277.A O no hydrogen 3.273 N/A GLU 282.A N ALA 278.A O no hydrogen 2.907 N/A PHE 283.A N GLU 279.A O no hydrogen 2.990 N/A MET 284.A N ASN 280.A O no hydrogen 2.905 N/A VAL 285.A N LEU 281.A O no hydrogen 2.975 N/A ASN 286.A N GLU 282.A O no hydrogen 2.970 N/A LEU 287.A N PHE 283.A O no hydrogen 3.033 N/A VAL 288.A N MET 284.A O no hydrogen 3.062 N/A LYS 289.A N VAL 285.A O no hydrogen 2.930 N/A GLU 290.A N ASN 286.A O no hydrogen 2.813 N/A GLY 291.A N VAL 288.A O no hydrogen 3.128 N/A LYS 292.A NZ GLU 290.A OE1 no hydrogen 2.597 N/A VAL 293.A N LEU 287.A O no hydrogen 3.132 N/A LYS 294.A N GLN 171.A OE1 no hydrogen 2.697 N/A THR 295.A OG1 GLU 124.A O no hydrogen 2.967 N/A THR 295.A OG1 TYR 168.A OH no hydrogen 2.631 N/A VAL 296.A N HIS 167.A NE2 no hydrogen 3.197 N/A ASP 298.A N LYS 321.A O no hydrogen 2.831 N/A SER 299.A OG ASP 298.A OD2 no hydrogen 2.553 N/A SER 299.A OG HIS 301.A NE2 no hydrogen 3.180 N/A HIS 301.A N ILE 323.A O no hydrogen 2.909 N/A HIS 301.A NE2 SER 299.A OG no hydrogen 3.180 N/A LEU 303.A N GLU 325.A O no hydrogen 2.736 N/A LYS 305.A N PRO 302.A O no hydrogen 2.689 N/A ALA 306.A N LEU 303.A O no hydrogen 3.305 N/A GLU 307.A N GLU 307.A OE1 no hydrogen 2.856 N/A ASP 308.A N LYS 305.A O no hydrogen 3.068 N/A TRP 310.A N ALA 306.A O no hydrogen 2.968 N/A TRP 310.A NE1 GLN 50.A OE1 no hydrogen 2.910 N/A ALA 311.A N GLU 307.A O no hydrogen 2.779 N/A LYS 312.A N ASP 308.A O no hydrogen 2.948 N/A LYS 312.A NZ ASP 298.A OD1 no hydrogen 3.519 N/A LYS 312.A NZ ASP 298.A OD2 no hydrogen 2.460 N/A LYS 312.A NZ SER 299.A OG no hydrogen 3.316 N/A SER 313.A N ALA 309.A O no hydrogen 2.912 N/A ILE 314.A N TRP 310.A O no hydrogen 2.859 N/A ASP 315.A N ALA 311.A O no hydrogen 2.951 N/A GLY 316.A N LYS 312.A O no hydrogen 2.970 N/A THR 319.A N ASP 298.A OD1 no hydrogen 2.933 N/A GLY 320.A N SER 162.A O no hydrogen 2.907 N/A LYS 321.A N VAL 296.A O no hydrogen 2.989 N/A LYS 321.A NZ SER 41.A OG no hydrogen 2.930 N/A LYS 321.A NZ LEU 42.A O no hydrogen 2.741 N/A LYS 321.A NZ ASN 43.A OD1 no hydrogen 2.635 N/A ILE 323.A N SER 299.A O no hydrogen 2.982 N/A VAL 324.A N THR 40.A O no hydrogen 2.623 N/A GLU 325.A N HIS 301.A O no hydrogen 2.821 N/A