Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a3s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLU 95.A OE2 no hydrogen 2.886 N/A LYS 2.A NZ ASP 31.A O no hydrogen 3.350 N/A ARG 3.A N GLU 95.A OE2 no hydrogen 3.090 N/A ARG 3.A NE GLU 33.A OE1 no hydrogen 2.911 N/A ARG 3.A NH1 GLY 93.A O no hydrogen 3.321 N/A ARG 3.A NH2 GLU 33.A OE1 no hydrogen 3.548 N/A ILE 4.A N GLU 33.A O no hydrogen 2.981 N/A GLY 5.A N GLY 96.A O no hydrogen 2.696 N/A VAL 6.A N TYR 35.A O no hydrogen 2.922 N/A LEU 7.A N VAL 98.A O no hydrogen 3.210 N/A THR 8.A OG1 THR 66.A OG1 no hydrogen 2.861 N/A THR 8.A OG1 TYR 69.A O no hydrogen 2.789 N/A SER 9.A N ILE 100.A O no hydrogen 3.057 N/A SER 13.A OG ILE 137.A O no hydrogen 2.825 N/A MET 16.A N SER 13.A O no hydrogen 3.206 N/A ASN 17.A ND2 ARG 63.A O no hydrogen 3.203 N/A ALA 19.A N GLY 15.A O no hydrogen 3.112 N/A VAL 20.A N MET 16.A O no hydrogen 2.949 N/A ARG 21.A N ASN 17.A O no hydrogen 2.867 N/A ALA 22.A N ALA 18.A O no hydrogen 3.068 N/A VAL 23.A N ALA 19.A O no hydrogen 2.801 N/A VAL 24.A N VAL 20.A O no hydrogen 2.954 N/A ARG 25.A N ARG 21.A O no hydrogen 2.994 N/A ARG 25.A NH2 LEU 54.A O no hydrogen 3.388 N/A LYS 26.A N ALA 22.A O no hydrogen 2.953 N/A LYS 26.A NZ HIS 30.A NE2 no hydrogen 3.370 N/A ALA 27.A N VAL 23.A O no hydrogen 3.210 N/A ILE 28.A N VAL 24.A O no hydrogen 3.001 N/A TYR 29.A N ARG 25.A O no hydrogen 2.920 N/A HIS 30.A N ALA 27.A O no hydrogen 2.800 N/A ASP 31.A N ILE 28.A O no hydrogen 3.308 N/A VAL 32.A N ALA 27.A O no hydrogen 2.955 N/A GLU 33.A N LYS 2.A O no hydrogen 2.758 N/A TYR 35.A N ILE 4.A O no hydrogen 2.852 N/A GLY 36.A N GLU 50.A O no hydrogen 2.678 N/A ILE 37.A N VAL 6.A O no hydrogen 3.024 N/A TYR 38.A N LYS 48.A O no hydrogen 3.105 N/A ASN 39.A N LEU 68.A O no hydrogen 2.850 N/A TYR 41.A OH SER 105.A O no hydrogen 3.048 N/A ALA 42.A N ASN 39.A O no hydrogen 2.986 N/A GLY 43.A N GLY 40.A O no hydrogen 3.288 N/A LEU 44.A N TYR 41.A O no hydrogen 3.111 N/A SER 46.A N ALA 42.A O no hydrogen 3.196 N/A SER 46.A OG ALA 42.A O no hydrogen 3.309 N/A LYS 48.A N SER 46.A OG no hydrogen 3.145 N/A GLU 50.A N GLY 36.A O no hydrogen 2.938 N/A LYS 51.A NZ GLU 33.A OE2 no hydrogen 3.394 N/A LYS 51.A NZ GLU 53.A OE2 no hydrogen 3.531 N/A LEU 52.A N VAL 34.A O no hydrogen 2.773 N/A GLU 53.A N SER 56.A OG no hydrogen 3.021 N/A SER 56.A N GLU 53.A O no hydrogen 2.922 N/A VAL 57.A N LEU 54.A O no hydrogen 3.124 N/A ARG 63.A N ILE 60.A O no hydrogen 2.768 N/A ARG 63.A NH1 ASP 59.A O no hydrogen 3.411 N/A THR 66.A OG1 THR 8.A OG1 no hydrogen 2.861 N/A LYS 67.A N ASN 17.A OD1 no hydrogen 2.830 N/A LYS 67.A NZ SER 56.A O no hydrogen 3.191 N/A LEU 68.A N THR 66.A OG1 no hydrogen 3.125 N/A TYR 69.A N THR 66.A O no hydrogen 3.089 N/A THR 70.A OG1 THR 8.A O no hydrogen 3.393 N/A THR 70.A OG1 GLY 10.A O no hydrogen 2.987 N/A PHE 76.A N CYS 73.A O no hydrogen 3.256 N/A LYS 77.A N PRO 74.A O no hydrogen 2.833 N/A THR 78.A N GLU 75.A O no hydrogen 2.932 N/A THR 78.A OG1 GLU 75.A O no hydrogen 2.663 N/A GLY 81.A N THR 78.A OG1 no hydrogen 2.986 N/A ARG 82.A N THR 78.A O no hydrogen 2.818 N/A ARG 82.A NE GLU 83.A OE2 no hydrogen 3.209 N/A ARG 82.A NH2 GLU 83.A OE2 no hydrogen 2.930 N/A GLU 83.A N VAL 79.A O no hydrogen 2.994 N/A LYS 84.A N GLU 80.A O no hydrogen 2.986 N/A GLY 85.A N GLY 81.A O no hydrogen 2.993 N/A ILE 86.A N ARG 82.A O no hydrogen 2.893 N/A ALA 87.A N GLU 83.A O no hydrogen 2.916 N/A ASN 88.A N LYS 84.A O no hydrogen 3.139 N/A ASN 88.A ND2 LEU 44.A O no hydrogen 2.820 N/A ASN 88.A ND2 ILE 45.A O no hydrogen 3.339 N/A LEU 89.A N GLY 85.A O no hydrogen 3.195 N/A LYS 90.A N ILE 86.A O no hydrogen 2.926 N/A LYS 91.A N ALA 87.A O no hydrogen 2.960 N/A LEU 92.A N ASN 88.A O no hydrogen 3.198 N/A LEU 92.A N LEU 89.A O no hydrogen 3.082 N/A GLY 93.A N LYS 90.A O no hydrogen 2.812 N/A ILE 94.A N LEU 89.A O no hydrogen 3.009 N/A GLU 95.A N ARG 3.A O no hydrogen 2.792 N/A LEU 97.A N PRO 118.A O no hydrogen 2.998 N/A VAL 98.A N GLY 5.A O no hydrogen 2.903 N/A VAL 99.A N VAL 120.A O no hydrogen 2.848 N/A ILE 100.A N LEU 7.A O no hydrogen 2.793 N/A GLY 101.A N VAL 122.A O no hydrogen 2.798 N/A GLY 102.A N SER 9.A O no hydrogen 3.368 N/A SER 105.A OG GLY 102.A O no hydrogen 2.457 N/A MET 107.A N GLY 104.A O no hydrogen 3.231 N/A LYS 110.A N TYR 106.A O no hydrogen 3.356 N/A LYS 111.A N MET 107.A O no hydrogen 3.078 N/A LEU 112.A N GLY 108.A O no hydrogen 3.148 N/A THR 113.A N ALA 109.A O no hydrogen 3.230 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.864 N/A GLU 114.A N LYS 110.A O no hydrogen 3.103 N/A HIS 115.A N LYS 111.A O no hydrogen 3.301 N/A HIS 115.A N LEU 112.A O no hydrogen 3.070 N/A GLY 116.A N THR 113.A O no hydrogen 3.209 N/A PHE 117.A N LEU 112.A O no hydrogen 2.843 N/A CYS 119.A N THR 113.A OG1 no hydrogen 2.985 N/A CYS 119.A SG PHE 117.A O no hydrogen 3.487 N/A VAL 120.A N LEU 97.A O no hydrogen 2.856 N/A GLY 121.A N ARG 282.A O no hydrogen 2.799 N/A VAL 122.A N VAL 99.A O no hydrogen 2.715 N/A GLY 124.A N GLY 101.A O no hydrogen 3.042 N/A THR 125.A N ILE 137.A O no hydrogen 3.145 N/A ASP 127.A N THR 125.A OG1 no hydrogen 3.102 N/A ASN 128.A ND2 ASP 134.A O no hydrogen 3.135 N/A ASN 128.A ND2 ASP 175.A OD2 no hydrogen 3.063 N/A THR 133.A OG1 PHE 135.A O no hydrogen 2.547 N/A ASP 134.A N ILE 286.A O no hydrogen 2.780 N/A PHE 135.A N THR 133.A OG1 no hydrogen 3.313 N/A THR 136.A N ASN 128.A OD1 no hydrogen 3.002 N/A THR 136.A OG1 THR 125.A O no hydrogen 2.622 N/A ILE 137.A N PRO 123.A O no hydrogen 2.973 N/A GLY 138.A N ASP 260.A OD1 no hydrogen 2.801 N/A PHE 139.A N THR 136.A O no hydrogen 3.160 N/A THR 141.A N ASP 260.A OD2 no hydrogen 3.000 N/A THR 141.A OG1 ASP 260.A OD2 no hydrogen 2.346 N/A ALA 142.A N GLY 138.A O no hydrogen 2.901 N/A LEU 143.A N PHE 139.A O no hydrogen 2.906 N/A ASN 144.A N ASP 140.A O no hydrogen 3.098 N/A ASN 144.A ND2 ASP 140.A O no hydrogen 3.281 N/A THR 145.A N THR 141.A O no hydrogen 3.020 N/A THR 145.A OG1 THR 141.A O no hydrogen 2.907 N/A VAL 146.A N ALA 142.A O no hydrogen 2.845 N/A ILE 147.A N LEU 143.A O no hydrogen 2.911 N/A ASP 148.A N ASN 144.A O no hydrogen 3.022 N/A ALA 149.A N THR 145.A O no hydrogen 3.145 N/A ILE 150.A N VAL 146.A O no hydrogen 2.865 N/A ASP 151.A N ILE 147.A O no hydrogen 2.743 N/A LYS 152.A N ALA 149.A O no hydrogen 3.065 N/A LYS 152.A NZ ASP 148.A OD2 no hydrogen 2.846 N/A ILE 153.A N ALA 149.A O no hydrogen 2.978 N/A ARG 154.A N ILE 150.A O no hydrogen 2.803 N/A ASP 155.A N ASP 151.A O no hydrogen 3.467 N/A ALA 157.A N ILE 153.A O no hydrogen 2.739 N/A THR 158.A N ARG 154.A O no hydrogen 2.803 N/A THR 158.A OG1 ARG 154.A O no hydrogen 2.799 N/A SER 159.A N ASP 155.A O no hydrogen 3.092 N/A SER 159.A OG ASP 155.A O no hydrogen 2.985 N/A HIS 160.A N THR 156.A O no hydrogen 3.053 N/A GLU 161.A N THR 158.A O no hydrogen 3.288 N/A ARG 162.A N ALA 157.A O no hydrogen 2.877 N/A THR 163.A OG1 SER 216.A OG no hydrogen 3.222 N/A TYR 164.A N SER 216.A O no hydrogen 2.869 N/A VAL 165.A N ARG 243.A O no hydrogen 2.784 N/A ILE 166.A N ILE 218.A O no hydrogen 2.884 N/A GLU 167.A N SER 245.A O no hydrogen 2.981 N/A VAL 168.A N VAL 220.A O no hydrogen 3.008 N/A MET 169.A N GLN 251.A OE1 no hydrogen 2.798 N/A GLY 170.A N GLU 222.A OE2 no hydrogen 3.239 N/A ARG 171.A N GLU 222.A OE2 no hydrogen 2.680 N/A ALA 173.A N GLY 170.A O no hydrogen 2.922 N/A GLY 174.A N GLU 193.A OE2 no hydrogen 2.951 N/A LEU 178.A N GLY 174.A O no hydrogen 2.671 N/A TRP 179.A N ASP 175.A O no hydrogen 2.931 N/A ALA 180.A N ILE 176.A O no hydrogen 2.892 N/A GLY 181.A N ALA 177.A O no hydrogen 2.726 N/A LEU 182.A N LEU 178.A O no hydrogen 3.059 N/A ALA 183.A N TRP 179.A O no hydrogen 2.966 N/A GLY 184.A N ALA 180.A O no hydrogen 2.892 N/A GLY 184.A N GLY 181.A O no hydrogen 2.999 N/A GLY 185.A N LEU 182.A O no hydrogen 3.037 N/A ALA 186.A N GLY 181.A O no hydrogen 3.110 N/A GLU 187.A N ILE 217.A O no hydrogen 2.806 N/A LEU 190.A N ILE 219.A O no hydrogen 2.827 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.763 N/A ALA 194.A N ILE 191.A O no hydrogen 3.345 N/A GLU 200.A N ASP 197.A OD2 no hydrogen 2.556 N/A ILE 201.A N ASP 197.A O no hydrogen 2.989 N/A ILE 202.A N MET 198.A O no hydrogen 3.025 N/A ALA 203.A N HIS 199.A O no hydrogen 2.846 N/A ARG 204.A N GLU 200.A O no hydrogen 3.056 N/A ARG 204.A NH1 LYS 315.A O no hydrogen 2.940 N/A LEU 205.A N ILE 202.A O no hydrogen 2.889 N/A LYS 206.A N ILE 202.A O no hydrogen 2.839 N/A ARG 207.A N ALA 203.A O no hydrogen 3.036 N/A HIS 209.A N LEU 205.A O no hydrogen 3.369 N/A HIS 209.A ND1 LYS 206.A O no hydrogen 2.770 N/A GLU 210.A N LYS 206.A O no hydrogen 2.864 N/A LYS 213.A N GLY 208.A O no hydrogen 2.582 N/A LYS 213.A NZ SER 318.A O no hydrogen 2.885 N/A LYS 213.A NZ ILE 319.A O no hydrogen 3.331 N/A LYS 214.A NZ GLY 212.A O no hydrogen 3.410 N/A SER 216.A OG THR 163.A OG1 no hydrogen 3.222 N/A ILE 217.A N GLU 187.A OE1 no hydrogen 3.057 N/A ILE 218.A N TYR 164.A O no hydrogen 2.776 N/A ILE 219.A N SER 188.A O no hydrogen 2.912 N/A VAL 220.A N ILE 166.A O no hydrogen 2.932 N/A ALA 221.A N LEU 190.A O no hydrogen 2.987 N/A GLU 222.A N VAL 168.A O no hydrogen 2.972 N/A VAL 224.A N ALA 221.A O no hydrogen 2.999 N/A GLY 227.A N GLU 167.A OE1 no hydrogen 3.304 N/A VAL 228.A N SER 226.A OG no hydrogen 3.204 N/A GLU 229.A N SER 226.A O no hydrogen 3.058 N/A PHE 230.A N SER 226.A O no hydrogen 3.115 N/A GLY 231.A N GLY 227.A O no hydrogen 2.862 N/A LYS 232.A N GLU 229.A O no hydrogen 3.170 N/A ARG 233.A N GLU 229.A O no hydrogen 3.151 N/A ILE 234.A N PHE 230.A O no hydrogen 3.021 N/A GLU 235.A N GLY 231.A O no hydrogen 2.993 N/A GLU 236.A N LYS 232.A O no hydrogen 3.074 N/A THR 238.A OG1 ILE 234.A O no hydrogen 2.998 N/A THR 242.A OG1 LEU 240.A O no hydrogen 2.611 N/A ARG 243.A N THR 163.A O no hydrogen 2.959 N/A ARG 243.A NH1 GLU 241.A OE1 no hydrogen 2.903 N/A ARG 243.A NH1 THR 242.A O no hydrogen 3.228 N/A SER 245.A N VAL 165.A O no hydrogen 2.877 N/A LEU 247.A N GLU 167.A O no hydrogen 3.225 N/A GLN 251.A N GLY 248.A O no hydrogen 3.308 N/A GLN 251.A NE2 GLY 248.A O no hydrogen 2.786 N/A ARG 252.A N HIS 249.A O no hydrogen 2.916 N/A ARG 252.A NH1 ASP 12.A OD1 no hydrogen 3.163 N/A GLY 253.A N ILE 250.A O no hydrogen 3.230 N/A SER 255.A OG HIS 62.A O no hydrogen 2.870 N/A SER 257.A N THR 141.A OG1 no hydrogen 3.011 N/A SER 257.A OG ASP 140.A OD2 no hydrogen 2.660 N/A ASP 260.A N SER 257.A OG no hydrogen 3.012 N/A ARG 261.A N SER 257.A O no hydrogen 3.057 N/A ARG 261.A NE PRO 256.A O no hydrogen 3.066 N/A ARG 261.A NH2 SER 255.A OG no hydrogen 2.901 N/A ARG 261.A NH2 PRO 256.A O no hydrogen 3.562 N/A VAL 262.A N ALA 258.A O no hydrogen 3.035 N/A LEU 263.A N ALA 259.A O no hydrogen 2.999 N/A ALA 264.A N ASP 260.A O no hydrogen 2.819 N/A SER 265.A N ARG 261.A O no hydrogen 2.804 N/A SER 265.A OG ARG 261.A O no hydrogen 2.927 N/A ARG 266.A N VAL 262.A O no hydrogen 2.818 N/A LEU 267.A N LEU 263.A O no hydrogen 2.866 N/A GLY 268.A N ALA 264.A O no hydrogen 2.835 N/A ALA 269.A N SER 265.A O no hydrogen 3.249 N/A TYR 270.A N ARG 266.A O no hydrogen 3.096 N/A ALA 271.A N LEU 267.A O no hydrogen 2.864 N/A VAL 272.A N GLY 268.A O no hydrogen 3.265 N/A GLU 273.A N ALA 269.A O no hydrogen 3.098 N/A LEU 274.A N TYR 270.A O no hydrogen 3.265 N/A LEU 274.A N ALA 271.A O no hydrogen 3.131 N/A LEU 275.A N ALA 271.A O no hydrogen 3.120 N/A LEU 276.A N VAL 272.A O no hydrogen 2.856 N/A GLU 277.A N LEU 274.A O no hydrogen 2.996 N/A GLY 278.A N LEU 275.A O no hydrogen 3.141 N/A LYS 279.A N LEU 274.A O no hydrogen 3.056 N/A GLY 281.A N CYS 119.A O no hydrogen 2.998 N/A ARG 282.A NE ASP 293.A OD1 no hydrogen 3.211 N/A ARG 282.A NH2 ASP 293.A OD1 no hydrogen 2.821 N/A CYS 283.A N HIS 294.A O no hydrogen 2.988 N/A CYS 283.A SG HIS 294.A O no hydrogen 3.625 N/A VAL 284.A N GLY 121.A O no hydrogen 3.038 N/A GLY 285.A N VAL 292.A O no hydrogen 2.802 N/A ILE 286.A N THR 133.A OG1 no hydrogen 3.032 N/A GLN 287.A N LYS 290.A O no hydrogen 2.797 N/A ASN 288.A N ASP 134.A OD2 no hydrogen 2.831 N/A LYS 290.A N GLN 287.A O no hydrogen 2.876 N/A VAL 292.A N GLY 285.A O no hydrogen 2.815 N/A HIS 294.A N CYS 283.A O no hydrogen 2.795 N/A ILE 296.A N GLY 281.A O no hydrogen 2.856 N/A GLU 298.A N ASP 295.A OD2 no hydrogen 3.177 N/A ILE 299.A N ILE 296.A O no hydrogen 3.197 N/A THR 302.A OG1 ILE 299.A O no hydrogen 2.894 N/A LYS 303.A NZ LYS 303.A O no hydrogen 3.474 N/A HIS 304.A NE2 ASN 128.A O no hydrogen 2.519 N/A MET 310.A N GLU 307.A O no hydrogen 2.936 N/A TYR 311.A N GLU 307.A O no hydrogen 3.399 N/A TYR 311.A OH ILE 189.A O no hydrogen 2.848 N/A GLN 312.A N GLN 308.A O no hydrogen 2.991 N/A SER 314.A N MET 310.A O no hydrogen 3.286 N/A SER 314.A OG TYR 311.A O no hydrogen 2.531 N/A LYS 315.A N TYR 311.A O no hydrogen 3.131 N/A GLU 316.A N GLN 312.A O no hydrogen 2.955 N/A LEU 317.A N LEU 313.A O no hydrogen 2.895 N/A SER 318.A N LYS 315.A O no hydrogen 3.305 N/A SER 318.A OG SER 314.A O no hydrogen 3.087 N/A SER 318.A OG LYS 315.A O no hydrogen 2.770 N/A