Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ba1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N LYS 24.A O no hydrogen 2.836 N/A LEU 6.A N ALA 47.A O no hydrogen 2.835 N/A MET 7.A N PHE 26.A O no hydrogen 2.856 N/A MET 8.A N VAL 49.A O no hydrogen 2.946 N/A CYS 9.A SG ASN 51.A OD1 no hydrogen 3.201 N/A MET 11.A N CYS 9.A O no hydrogen 2.987 N/A TYR 14.A OH ASP 292.A OD1 no hydrogen 2.609 N/A LEU 15.A N SER 12.A OG no hydrogen 2.841 N/A GLU 16.A N SER 12.A O no hydrogen 3.011 N/A GLN 17.A N THR 13.A O no hydrogen 2.995 N/A GLU 18.A N TYR 14.A O no hydrogen 2.863 N/A LEU 19.A N LEU 15.A O no hydrogen 2.809 N/A ASP 20.A N GLU 16.A O no hydrogen 2.897 N/A LYS 21.A N GLN 17.A O no hydrogen 3.037 N/A LYS 21.A NZ GLU 18.A OE2 no hydrogen 2.822 N/A ARG 22.A N LEU 19.A O no hydrogen 3.063 N/A ARG 22.A NE GLU 299.A OE2 no hydrogen 2.801 N/A ARG 22.A NH1 GLU 18.A O no hydrogen 2.970 N/A ARG 22.A NH1 GLU 18.A OE1 no hydrogen 2.885 N/A PHE 23.A N LEU 19.A O no hydrogen 2.901 N/A LYS 24.A N ILE 3.A O no hydrogen 2.685 N/A PHE 26.A N VAL 5.A O no hydrogen 2.844 N/A ARG 27.A NE GLU 16.A OE1 no hydrogen 2.608 N/A ARG 27.A NH2 GLU 16.A OE1 no hydrogen 3.349 N/A ARG 27.A NH2 ASP 20.A OD2 no hydrogen 3.353 N/A TYR 28.A N MET 7.A O no hydrogen 2.950 N/A THR 30.A N ARG 27.A O no hydrogen 3.240 N/A THR 30.A OG1 ARG 27.A O no hydrogen 2.871 N/A GLN 31.A N TYR 28.A O no hydrogen 3.192 N/A GLN 34.A NE2 TYR 28.A O no hydrogen 3.025 N/A ARG 35.A NH1 GLU 59.A OE2 no hydrogen 2.704 N/A ARG 35.A NH2 GLU 59.A OE2 no hydrogen 2.621 N/A PHE 37.A N ALA 33.A O no hydrogen 2.900 N/A LEU 38.A N GLN 34.A O no hydrogen 2.869 N/A ALA 39.A N ARG 35.A O no hydrogen 3.081 N/A LEU 40.A N ASP 36.A O no hydrogen 2.888 N/A GLN 41.A N PHE 37.A O no hydrogen 2.921 N/A ALA 42.A N ALA 39.A O no hydrogen 3.501 N/A SER 44.A N GLN 41.A O no hydrogen 2.911 N/A SER 44.A OG GLN 41.A OE1 no hydrogen 3.182 N/A ILE 45.A N GLN 41.A O no hydrogen 3.279 N/A ARG 46.A N GLY 4.A O no hydrogen 2.870 N/A ARG 46.A NE GLU 68.A OE2 no hydrogen 2.960 N/A ARG 46.A NH2 GLU 68.A OE1 no hydrogen 3.316 N/A ARG 46.A NH2 GLU 68.A OE2 no hydrogen 3.156 N/A ALA 47.A N GLY 4.A O no hydrogen 3.258 N/A VAL 48.A N ILE 69.A O no hydrogen 3.038 N/A VAL 49.A N LEU 6.A O no hydrogen 2.808 N/A GLY 50.A N SER 71.A O no hydrogen 3.284 N/A ASN 51.A N ALA 54.A O no hydrogen 2.918 N/A ASN 53.A N ASN 51.A OD1 no hydrogen 2.890 N/A ALA 54.A N ASN 51.A OD1 no hydrogen 3.136 N/A ALA 56.A N LYS 79.A O no hydrogen 2.909 N/A LEU 60.A N ASP 57.A OD1 no hydrogen 2.984 N/A ILE 61.A N ASP 57.A O no hydrogen 3.080 N/A ASP 62.A N ALA 58.A O no hydrogen 2.939 N/A ALA 63.A N GLU 59.A O no hydrogen 2.968 N/A LEU 64.A N ILE 61.A O no hydrogen 3.105 N/A LYS 66.A NZ GLU 43.A OE1 no hydrogen 3.106 N/A LEU 67.A N LEU 64.A O no hydrogen 2.894 N/A GLU 68.A N ARG 46.A O no hydrogen 2.793 N/A VAL 70.A N ARG 91.A O no hydrogen 2.798 N/A SER 71.A N VAL 48.A O no hydrogen 2.871 N/A SER 71.A OG THR 93.A OG1 no hydrogen 2.911 N/A SER 72.A N THR 93.A O no hydrogen 2.870 N/A SER 72.A OG SER 74.A OG no hydrogen 3.129 N/A PHE 73.A N GLY 50.A O no hydrogen 2.750 N/A SER 74.A OG SER 72.A OG no hydrogen 3.129 N/A SER 74.A OG GLY 76.A O no hydrogen 2.506 N/A LYS 79.A NZ ASN 53.A O no hydrogen 3.407 N/A VAL 80.A N LEU 77.A O no hydrogen 2.983 N/A ASP 81.A N ALA 56.A O no hydrogen 2.937 N/A LYS 84.A N ASP 81.A OD1 no hydrogen 2.931 N/A LYS 84.A NZ ASP 62.A OD1 no hydrogen 2.685 N/A LYS 84.A NZ ASP 62.A OD2 no hydrogen 3.457 N/A LYS 84.A NZ GLU 87.A OE2 no hydrogen 3.299 N/A CYS 85.A N ASP 81.A O no hydrogen 2.958 N/A CYS 85.A SG ASP 81.A O no hydrogen 3.426 N/A GLU 86.A N LEU 82.A O no hydrogen 2.892 N/A GLU 87.A N ILE 83.A O no hydrogen 2.930 N/A LYS 88.A N LYS 84.A O no hydrogen 2.974 N/A GLY 89.A N GLU 86.A O no hydrogen 3.176 N/A VAL 90.A N CYS 85.A O no hydrogen 2.782 N/A ARG 91.A N GLU 68.A O no hydrogen 2.958 N/A ARG 91.A NE VAL 312.A O no hydrogen 3.355 N/A ARG 91.A NE VAL 312.A OXT no hydrogen 2.886 N/A VAL 92.A N VAL 312.A OXT no hydrogen 3.018 N/A THR 93.A N VAL 70.A O no hydrogen 2.946 N/A THR 93.A OG1 SER 71.A OG no hydrogen 2.911 N/A ASN 94.A N THR 309.A O no hydrogen 3.250 N/A ASN 94.A ND2 VAL 75.A O no hydrogen 3.012 N/A THR 95.A N SER 74.A O no hydrogen 2.833 N/A THR 100.A N ASP 97.A O no hydrogen 3.209 N/A THR 100.A OG1 ASP 97.A O no hydrogen 3.285 N/A VAL 103.A N LEU 99.A O no hydrogen 3.111 N/A ALA 104.A N THR 100.A O no hydrogen 2.949 N/A ASP 105.A N ASP 101.A O no hydrogen 2.834 N/A LEU 106.A N ASP 102.A O no hydrogen 3.027 N/A ALA 107.A N VAL 103.A O no hydrogen 3.095 N/A ILE 108.A N ALA 104.A O no hydrogen 3.242 N/A GLY 109.A N ASP 105.A O no hydrogen 2.917 N/A LEU 110.A N LEU 106.A O no hydrogen 2.790 N/A ILE 111.A N ALA 107.A O no hydrogen 2.953 N/A LEU 112.A N ILE 108.A O no hydrogen 2.988 N/A ALA 113.A N GLY 109.A O no hydrogen 2.910 N/A VAL 114.A N LEU 110.A O no hydrogen 2.883 N/A LEU 115.A N ILE 111.A O no hydrogen 2.852 N/A ARG 116.A N LEU 112.A O no hydrogen 2.933 N/A ARG 117.A N VAL 114.A O no hydrogen 3.092 N/A ARG 117.A NE GLU 271.A OE1 no hydrogen 2.875 N/A ARG 117.A NH1 VAL 114.A O no hydrogen 2.918 N/A ARG 117.A NH2 GLU 271.A OE2 no hydrogen 2.816 N/A ILE 118.A N ALA 113.A O no hydrogen 2.948 N/A CYS 121.A N ARG 117.A O no hydrogen 2.836 N/A CYS 121.A SG ARG 116.A O no hydrogen 4.049 N/A CYS 121.A SG ARG 117.A O no hydrogen 3.340 N/A ASP 122.A N ILE 118.A O no hydrogen 3.011 N/A LYS 123.A N CYS 119.A O no hydrogen 3.055 N/A TYR 124.A N GLU 120.A O no hydrogen 2.918 N/A TYR 124.A OH GLY 133.A O no hydrogen 2.719 N/A VAL 125.A N CYS 121.A O no hydrogen 2.946 N/A ARG 126.A N ASP 122.A O no hydrogen 3.139 N/A ARG 126.A NE ASP 122.A OD1 no hydrogen 3.452 N/A ARG 126.A NE ASP 122.A OD2 no hydrogen 2.783 N/A ARG 126.A NH2 ASP 122.A OD1 no hydrogen 2.975 N/A ARG 126.A NH2 ASP 122.A OD2 no hydrogen 3.472 N/A ARG 127.A N LYS 123.A O no hydrogen 3.079 N/A GLY 128.A N VAL 125.A O no hydrogen 2.921 N/A ALA 129.A N TYR 124.A O no hydrogen 3.170 N/A TRP 130.A NE1 ASP 134.A OD1 no hydrogen 2.983 N/A LYS 131.A N GLY 128.A O no hydrogen 3.289 N/A LYS 131.A NZ GLY 128.A O no hydrogen 3.371 N/A PHE 132.A N ALA 129.A O no hydrogen 2.965 N/A GLY 133.A N TRP 130.A O no hydrogen 3.272 N/A LYS 136.A NZ GLU 271.A OE1 no hydrogen 2.766 N/A THR 139.A N LEU 115.A O no hydrogen 3.063 N/A SER 142.A OG PHE 165.A O no hydrogen 3.366 N/A GLY 143.A N PHE 165.A O no hydrogen 2.976 N/A LYS 144.A N PHE 141.A O no hydrogen 2.990 N/A LYS 144.A NZ LYS 140.A O no hydrogen 2.492 N/A ARG 145.A N ASP 196.A OD2 no hydrogen 2.833 N/A ARG 145.A NE ASP 196.A OD2 no hydrogen 3.023 N/A ARG 145.A NH2 ASP 196.A OD1 no hydrogen 2.958 N/A VAL 146.A N PRO 168.A O no hydrogen 3.064 N/A GLY 147.A N ILE 197.A O no hydrogen 2.855 N/A ILE 148.A N SER 170.A O no hydrogen 2.849 N/A ILE 149.A N VAL 199.A O no hydrogen 2.881 N/A GLY 150.A N PHE 172.A O no hydrogen 2.994 N/A ARG 153.A NE ASP 97.A OD1 no hydrogen 2.841 N/A LEU 156.A N GLY 152.A O no hydrogen 2.846 N/A ALA 157.A N ARG 153.A O no hydrogen 3.073 N/A VAL 158.A N ILE 154.A O no hydrogen 2.901 N/A ALA 159.A N GLY 155.A O no hydrogen 2.909 N/A GLU 160.A N LEU 156.A O no hydrogen 2.896 N/A ARG 161.A N ALA 157.A O no hydrogen 3.183 N/A ARG 161.A NE ASP 105.A OD1 no hydrogen 2.805 N/A ARG 161.A NH1 ALA 157.A O no hydrogen 3.076 N/A ARG 161.A NH2 ASP 101.A OD1 no hydrogen 3.395 N/A ARG 161.A NH2 ASP 105.A OD1 no hydrogen 3.268 N/A ALA 162.A N VAL 158.A O no hydrogen 2.921 N/A GLU 163.A N ALA 159.A O no hydrogen 2.835 N/A ALA 164.A N ARG 161.A O no hydrogen 2.981 N/A PHE 165.A N ALA 162.A O no hydrogen 2.965 N/A ASP 166.A N GLU 163.A O no hydrogen 2.999 N/A CYS 167.A N ALA 162.A O no hydrogen 3.347 N/A CYS 167.A SG PHE 141.A O no hydrogen 3.948 N/A CYS 167.A SG ALA 162.A O no hydrogen 3.551 N/A CYS 167.A SG PHE 165.A O no hydrogen 3.843 N/A SER 170.A N VAL 146.A O no hydrogen 2.971 N/A TYR 171.A N THR 183.A O no hydrogen 2.863 N/A PHE 172.A N ILE 148.A O no hydrogen 2.992 N/A SER 173.A OG SER 175.A O no hydrogen 3.470 N/A LYS 177.A N TYR 171.A OH no hydrogen 2.823 N/A TYR 182.A N THR 180.A OG1 no hydrogen 3.268 N/A TYR 182.A OH GLU 163.A OE1 no hydrogen 2.640 N/A THR 183.A N ILE 169.A O no hydrogen 3.042 N/A TYR 184.A OH SER 173.A O no hydrogen 2.750 N/A TYR 185.A N TYR 171.A O no hydrogen 2.899 N/A GLU 190.A N SER 187.A OG no hydrogen 3.183 N/A LEU 191.A N SER 187.A O no hydrogen 3.080 N/A ALA 192.A N VAL 188.A O no hydrogen 2.875 N/A SER 193.A N VAL 189.A O no hydrogen 2.906 N/A SER 193.A OG VAL 189.A O no hydrogen 2.982 N/A ASN 194.A N LEU 191.A O no hydrogen 3.010 N/A ASN 194.A ND2 GLU 190.A O no hydrogen 2.818 N/A SER 195.A N ALA 192.A O no hydrogen 3.190 N/A SER 195.A OG LEU 191.A O no hydrogen 2.742 N/A ASP 196.A N ARG 145.A O no hydrogen 2.919 N/A ILE 197.A N ARG 145.A O no hydrogen 3.122 N/A LEU 198.A N VAL 225.A O no hydrogen 2.881 N/A VAL 199.A N GLY 147.A O no hydrogen 2.821 N/A VAL 200.A N ILE 227.A O no hydrogen 2.922 N/A ALA 201.A N ILE 149.A O no hydrogen 2.896 N/A CYS 202.A SG PRO 203.A O no hydrogen 3.768 N/A THR 205.A N THR 208.A OG1 no hydrogen 3.093 N/A THR 205.A OG1 GLU 207.A OE1 no hydrogen 3.569 N/A THR 208.A N THR 205.A O no hydrogen 3.140 N/A THR 208.A OG1 PRO 203.A O no hydrogen 2.892 N/A THR 208.A OG1 THR 205.A O no hydrogen 3.527 N/A THR 209.A N PRO 206.A O no hydrogen 3.259 N/A THR 209.A OG1 THR 205.A O no hydrogen 2.863 N/A HIS 210.A N PRO 233.A O no hydrogen 2.840 N/A HIS 210.A NE2 GLU 258.A OE2 no hydrogen 2.584 N/A ILE 211.A N THR 208.A O no hydrogen 3.155 N/A ILE 212.A N HIS 234.A O no hydrogen 2.934 N/A ARG 214.A NH1 GLU 239.A OE1 no hydrogen 2.929 N/A VAL 216.A N ASN 213.A OD1 no hydrogen 2.888 N/A ILE 217.A N ASN 213.A O no hydrogen 2.910 N/A ASP 218.A N ARG 214.A O no hydrogen 2.868 N/A ALA 219.A N GLU 215.A O no hydrogen 3.043 N/A LEU 220.A N VAL 216.A O no hydrogen 3.028 N/A GLY 221.A N ILE 217.A O no hydrogen 2.894 N/A GLY 224.A N GLY 221.A O no hydrogen 2.901 N/A VAL 225.A N ASP 196.A O no hydrogen 3.042 N/A LEU 226.A N GLY 251.A O no hydrogen 3.147 N/A ILE 227.A N LEU 198.A O no hydrogen 2.763 N/A ASN 228.A N GLY 253.A O no hydrogen 2.991 N/A ASN 228.A ND2 ARG 231.A O no hydrogen 3.074 N/A GLY 230.A N ASN 228.A OD1 no hydrogen 2.816 N/A ARG 231.A NE ASP 78.A OD1 no hydrogen 3.462 N/A ARG 231.A NH1 GLY 230.A O no hydrogen 3.439 N/A HIS 234.A N ARG 231.A O no hydrogen 3.016 N/A HIS 234.A ND1 THR 208.A O no hydrogen 3.308 N/A VAL 235.A N GLY 232.A O no hydrogen 3.054 N/A ASP 236.A N ILE 212.A O no hydrogen 2.998 N/A GLU 237.A N GLU 258.A OE1 no hydrogen 3.376 N/A LEU 240.A N ASP 236.A O no hydrogen 3.145 N/A VAL 241.A N GLU 237.A O no hydrogen 2.945 N/A SER 242.A N PRO 238.A O no hydrogen 3.074 N/A ALA 243.A N GLU 239.A O no hydrogen 2.995 N/A LEU 244.A N LEU 240.A O no hydrogen 2.924 N/A VAL 245.A N VAL 241.A O no hydrogen 2.956 N/A GLU 246.A N SER 242.A O no hydrogen 2.853 N/A GLY 247.A N LEU 244.A O no hydrogen 3.450 N/A ARG 248.A N ALA 243.A O no hydrogen 2.878 N/A ARG 248.A NE GLU 246.A OE1 no hydrogen 3.082 N/A ARG 248.A NH1 ASP 218.A OD1 no hydrogen 2.863 N/A ARG 248.A NH2 GLU 246.A OE1 no hydrogen 3.091 N/A LEU 249.A N ALA 243.A O no hydrogen 3.250 N/A GLY 250.A N GLY 221.A O no hydrogen 3.073 N/A GLY 251.A N GLY 224.A O no hydrogen 3.153 N/A ALA 252.A N ASN 272.A O no hydrogen 3.062 N/A GLY 253.A N LEU 226.A O no hydrogen 2.870 N/A LEU 254.A N VAL 274.A O no hydrogen 2.876 N/A ASP 255.A N ASN 228.A O no hydrogen 2.974 N/A PHE 257.A N GLU 260.A OE1 no hydrogen 2.996 N/A GLU 258.A N GLU 237.A OE2 no hydrogen 2.844 N/A GLU 260.A N PHE 257.A O no hydrogen 3.306 N/A GLU 262.A N ARG 259.A O no hydrogen 2.889 N/A LEU 267.A N PRO 264.A O no hydrogen 2.969 N/A PHE 268.A N GLU 265.A O no hydrogen 2.926 N/A GLY 269.A N LYS 266.A O no hydrogen 3.411 N/A LEU 270.A N LEU 267.A O no hydrogen 3.082 N/A ASN 272.A ND2 GLY 250.A O no hydrogen 2.913 N/A VAL 274.A N ALA 252.A O no hydrogen 2.991 N/A LEU 276.A N LEU 254.A O no hydrogen 2.884 N/A HIS 278.A N LEU 276.A O no hydrogen 2.958 N/A HIS 278.A ND1 GLU 260.A OE2 no hydrogen 2.713 N/A VAL 279.A N ASP 255.A OD1 no hydrogen 2.745 N/A GLY 280.A N ASP 255.A OD2 no hydrogen 2.857 N/A GLY 282.A N VAL 279.A O no hydrogen 2.866 N/A THR 283.A N SER 281.A O no hydrogen 2.963 N/A THR 283.A OG1 ASP 102.A OD2 no hydrogen 2.532 N/A GLU 285.A N GLU 285.A OE1 no hydrogen 2.990 N/A THR 286.A N THR 283.A OG1 no hydrogen 3.232 N/A THR 286.A OG1 ASP 102.A OD2 no hydrogen 2.502 N/A ARG 287.A N THR 283.A O no hydrogen 2.964 N/A ARG 287.A NE SER 281.A OG no hydrogen 3.427 N/A ARG 287.A NH2 SER 281.A OG no hydrogen 3.392 N/A LYS 288.A N VAL 284.A O no hydrogen 3.126 N/A LYS 288.A NZ TYR 14.A OH no hydrogen 3.151 N/A LYS 288.A NZ ASP 292.A OD2 no hydrogen 2.876 N/A VAL 289.A N GLU 285.A O no hydrogen 3.241 N/A MET 290.A N THR 286.A O no hydrogen 2.901 N/A ALA 291.A N ARG 287.A O no hydrogen 2.892 N/A ASP 292.A N LYS 288.A O no hydrogen 2.887 N/A LEU 293.A N VAL 289.A O no hydrogen 2.963 N/A VAL 294.A N MET 290.A O no hydrogen 2.959 N/A VAL 295.A N ALA 291.A O no hydrogen 2.978 N/A GLY 296.A N ASP 292.A O no hydrogen 2.722 N/A ASN 297.A N LEU 293.A O no hydrogen 2.936 N/A ASN 297.A ND2 LEU 293.A O no hydrogen 2.848 N/A ASN 297.A ND2 THR 309.A OG1 no hydrogen 2.926 N/A LEU 298.A N VAL 294.A O no hydrogen 3.020 N/A GLU 299.A N VAL 295.A O no hydrogen 2.882 N/A ALA 300.A N GLY 296.A O no hydrogen 2.979 N/A HIS 301.A N ASN 297.A O no hydrogen 2.934 N/A HIS 301.A NE2 GLU 68.A OE1 no hydrogen 2.834 N/A PHE 302.A N LEU 298.A O no hydrogen 3.006 N/A SER 303.A N ALA 300.A O no hydrogen 3.119 N/A SER 303.A OG GLU 299.A O no hydrogen 2.733 N/A SER 303.A OG ALA 300.A O no hydrogen 3.218 N/A GLY 304.A N HIS 301.A O no hydrogen 3.191 N/A LYS 305.A N ALA 300.A O no hydrogen 2.898 N/A LEU 308.A N ASN 297.A OD1 no hydrogen 2.822 N/A THR 309.A N ASN 297.A OD1 no hydrogen 2.983 N/A THR 309.A OG1 ASN 94.A O no hydrogen 2.764 N/A VAL 311.A N VAL 92.A O no hydrogen 2.712 N/A VAL 312.A N VAL 92.A O no hydrogen 3.356 N/A