Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tle_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N GLY 126.A O no hydrogen 3.125 N/A LEU 7.A N LEU 157.A O no hydrogen 2.882 N/A ALA 8.A N ASP 11.A OD2 no hydrogen 2.805 N/A ASP 11.A N ALA 8.A O no hydrogen 3.010 N/A ILE 13.A N LYS 43.A O no hydrogen 2.788 N/A GLY 14.A N CYS 79.A O no hydrogen 2.851 N/A PHE 15.A N VAL 45.A O no hydrogen 3.007 N/A PHE 16.A N MET 81.A O no hydrogen 3.192 N/A SER 17.A N GLU 67.A OE1 no hydrogen 2.814 N/A SER 17.A OG THR 83.A OG1 no hydrogen 2.785 N/A SER 18.A OG SER 89.A OG no hydrogen 2.660 N/A ALA 20.A N GLY 85.A O no hydrogen 3.015 N/A VAL 24.A N PRO 21.A O no hydrogen 3.051 N/A THR 25.A N PRO 21.A O no hydrogen 3.173 N/A THR 25.A OG1 PRO 21.A O no hydrogen 3.508 N/A ALA 26.A N ALA 22.A O no hydrogen 2.824 N/A ASN 28.A ND2 ASN 181.A O no hydrogen 2.804 N/A ARG 29.A N ASN 181.A OD1 no hydrogen 3.058 N/A ARG 29.A NE ILE 136.A O no hydrogen 2.919 N/A ARG 29.A NH1 TRP 180.A O no hydrogen 3.072 N/A ARG 29.A NH2 PRO 137.A O no hydrogen 2.728 N/A ARG 29.A NH2 GLU 141.A OE1 no hydrogen 2.808 N/A PHE 30.A N ALA 26.A O no hydrogen 2.901 N/A PHE 31.A N LYS 27.A O no hydrogen 2.917 N/A ARG 32.A N ASN 28.A O no hydrogen 3.076 N/A ARG 32.A NH1 GLY 140.A O no hydrogen 2.804 N/A ARG 32.A NH2 GLU 182.A O no hydrogen 2.397 N/A GLY 33.A N ARG 29.A O no hydrogen 2.969 N/A VAL 34.A N PHE 30.A O no hydrogen 2.937 N/A GLU 35.A N PHE 31.A O no hydrogen 2.914 N/A PHE 36.A N ARG 32.A O no hydrogen 2.872 N/A LEU 37.A N GLY 33.A O no hydrogen 3.158 N/A GLN 38.A N VAL 34.A O no hydrogen 3.012 N/A ARG 39.A N GLU 35.A O no hydrogen 2.958 N/A LYS 40.A N PHE 36.A O no hydrogen 3.329 N/A GLY 41.A N GLN 38.A O no hydrogen 2.962 N/A PHE 42.A N LEU 37.A O no hydrogen 3.202 N/A LYS 43.A N ASP 11.A O no hydrogen 3.094 N/A VAL 45.A N ILE 13.A O no hydrogen 2.897 N/A GLY 47.A N PHE 15.A O no hydrogen 2.816 N/A LYS 48.A NZ GLU 63.A OE1 no hydrogen 2.927 N/A LYS 48.A NZ GLU 63.A OE2 no hydrogen 3.305 N/A LYS 48.A NZ GLN 66.A OE1 no hydrogen 2.773 N/A LYS 48.A NZ GLU 70.A OE2 no hydrogen 3.486 N/A LEU 49.A N GLU 67.A OE2 no hydrogen 2.901 N/A THR 50.A N GLY 47.A O no hydrogen 2.998 N/A THR 50.A OG1 GLY 47.A O no hydrogen 2.833 N/A GLY 51.A N THR 23.A OG1 no hydrogen 2.950 N/A LYS 52.A N LEU 49.A O no hydrogen 3.070 N/A ASP 54.A N ARG 57.A O no hydrogen 2.712 N/A ARG 57.A N ASP 54.A O no hydrogen 3.245 N/A ARG 57.A NE ASP 54.A OD2 no hydrogen 2.784 N/A ARG 57.A NH2 ASP 54.A OD2 no hydrogen 3.190 N/A SER 58.A N SER 19.A O no hydrogen 2.906 N/A SER 58.A OG SER 17.A O no hydrogen 2.589 N/A GLU 63.A N THR 60.A OG1 no hydrogen 3.105 N/A ARG 64.A N THR 60.A O no hydrogen 2.978 N/A ARG 64.A NE GLY 59.A O no hydrogen 2.858 N/A ARG 64.A NE THR 60.A O no hydrogen 3.337 N/A ARG 64.A NH1 SER 18.A O no hydrogen 2.863 N/A ARG 64.A NH1 ASN 88.A O no hydrogen 2.977 N/A ALA 65.A N ILE 61.A O no hydrogen 3.056 N/A GLN 66.A N LYS 62.A O no hydrogen 2.935 N/A GLU 67.A N GLU 63.A O no hydrogen 2.883 N/A PHE 68.A N ARG 64.A O no hydrogen 3.215 N/A ASN 69.A N ALA 65.A O no hydrogen 2.929 N/A ASN 69.A ND2 PHE 95.A O no hydrogen 3.068 N/A GLU 70.A N GLN 66.A O no hydrogen 2.899 N/A LEU 71.A N PHE 68.A O no hydrogen 3.047 N/A VAL 72.A N PHE 68.A O no hydrogen 3.227 N/A TYR 73.A N ASN 69.A O no hydrogen 2.973 N/A TYR 73.A OH ASP 97.A OD2 no hydrogen 2.601 N/A ASN 74.A N LEU 71.A O no hydrogen 3.299 N/A ASP 76.A N ASN 74.A OD1 no hydrogen 2.970 N/A ILE 77.A N ASN 74.A O no hydrogen 3.355 N/A THR 78.A N THR 12.A O no hydrogen 3.073 N/A THR 78.A OG1 ASP 11.A OD2 no hydrogen 3.176 N/A CYS 79.A SG ILE 107.A O no hydrogen 3.952 N/A ILE 80.A N ILE 107.A O no hydrogen 2.671 N/A MET 81.A N GLY 14.A O no hydrogen 2.771 N/A SER 82.A N ILE 109.A O no hydrogen 3.013 N/A SER 82.A OG THR 114.A OG1 no hydrogen 3.157 N/A THR 83.A N PHE 16.A O no hydrogen 2.915 N/A THR 83.A OG1 PHE 16.A O no hydrogen 3.183 N/A THR 83.A OG1 SER 17.A OG no hydrogen 2.785 N/A ASP 87.A N SER 19.A OG no hydrogen 2.782 N/A ASN 88.A N SER 19.A OG no hydrogen 2.843 N/A SER 89.A N ASP 113.A OD2 no hydrogen 2.784 N/A SER 89.A OG SER 18.A OG no hydrogen 2.660 N/A SER 89.A OG ASP 113.A OD2 no hydrogen 2.618 N/A ASN 90.A ND2 GLY 218.A O no hydrogen 2.967 N/A SER 91.A N ASN 88.A O no hydrogen 3.246 N/A LEU 92.A N SER 89.A O no hydrogen 3.047 N/A LEU 93.A N ASN 90.A O no hydrogen 3.290 N/A PHE 95.A N LEU 92.A O no hydrogen 2.825 N/A ASP 97.A N ASN 69.A OD1 no hydrogen 2.871 N/A TYR 98.A N LEU 96.A O no hydrogen 3.132 N/A TYR 98.A OH LEU 93.A O no hydrogen 2.596 N/A ALA 100.A N ASP 97.A OD1 no hydrogen 3.049 N/A ILE 101.A N ASP 97.A O no hydrogen 3.116 N/A ILE 102.A N TYR 98.A O no hydrogen 2.971 N/A ALA 103.A N ASP 99.A O no hydrogen 2.957 N/A ASN 104.A N ALA 100.A O no hydrogen 3.023 N/A LYS 106.A NZ ASN 74.A O no hydrogen 3.005 N/A LYS 106.A NZ ILE 77.A O no hydrogen 2.592 N/A ILE 107.A N THR 78.A O no hydrogen 3.083 N/A ILE 109.A N ILE 80.A O no hydrogen 2.979 N/A GLY 110.A N PHE 130.A O no hydrogen 3.303 N/A SER 112.A N TYR 131.A OH no hydrogen 2.930 N/A SER 112.A OG HIS 305.A NE2 no hydrogen 2.604 N/A THR 114.A N TYR 111.A O no hydrogen 3.052 N/A THR 114.A OG1 SER 82.A OG no hydrogen 3.157 N/A THR 114.A OG1 TYR 111.A O no hydrogen 3.094 N/A THR 115.A N SER 112.A O no hydrogen 2.916 N/A THR 115.A OG1 SER 112.A O no hydrogen 2.668 N/A ALA 116.A N ASP 113.A O no hydrogen 3.132 N/A LEU 117.A N THR 114.A O no hydrogen 2.868 N/A LEU 118.A N THR 114.A O no hydrogen 3.022 N/A ALA 119.A N THR 115.A O no hydrogen 2.823 N/A GLY 120.A N ALA 116.A O no hydrogen 2.960 N/A ILE 121.A N LEU 117.A O no hydrogen 2.823 N/A TYR 122.A N LEU 118.A O no hydrogen 3.163 N/A ALA 123.A N ALA 119.A O no hydrogen 2.882 N/A LYS 124.A N GLY 120.A O no hydrogen 3.094 N/A LYS 124.A NZ GLU 223.A OE2 no hydrogen 2.997 N/A THR 125.A N ILE 121.A O no hydrogen 2.867 N/A THR 125.A OG1 ILE 121.A O no hydrogen 2.659 N/A GLY 126.A N TYR 122.A O no hydrogen 2.796 N/A LEU 127.A N THR 125.A OG1 no hydrogen 3.048 N/A ILE 128.A N LEU 2.A O no hydrogen 3.026 N/A THR 129.A OG1 LEU 118.A O no hydrogen 3.442 N/A PHE 130.A N ILE 108.A O no hydrogen 2.917 N/A TYR 131.A N LEU 312.A O no hydrogen 2.794 N/A TYR 131.A OH GLU 237.A OE2 no hydrogen 2.498 N/A GLY 132.A N GLY 110.A O no hydrogen 2.986 N/A ALA 134.A N SER 138.A OG no hydrogen 2.990 N/A LEU 135.A N SER 82.A O no hydrogen 2.801 N/A ILE 136.A N THR 83.A O no hydrogen 2.887 N/A SER 138.A N ALA 134.A O no hydrogen 2.980 N/A SER 138.A OG ALA 134.A O no hydrogen 3.208 N/A PHE 139.A N LEU 135.A O no hydrogen 3.146 N/A GLY 140.A N ILE 136.A O no hydrogen 3.117 N/A ASP 147.A N PRO 144.A O no hydrogen 3.165 N/A ILE 148.A N LEU 145.A O no hydrogen 3.194 N/A THR 149.A N LEU 145.A O no hydrogen 3.203 N/A THR 149.A OG1 LEU 145.A O no hydrogen 3.437 N/A TYR 150.A N VAL 146.A O no hydrogen 2.854 N/A GLU 151.A N ASP 147.A O no hydrogen 2.956 N/A SER 152.A N ILE 148.A O no hydrogen 3.249 N/A PHE 153.A N THR 149.A O no hydrogen 3.078 N/A ILE 154.A N TYR 150.A O no hydrogen 2.851 N/A LYS 155.A N GLU 151.A O no hydrogen 3.020 N/A ILE 156.A N SER 152.A O no hydrogen 2.898 N/A LEU 157.A N PHE 153.A O no hydrogen 3.175 N/A THR 158.A N ILE 154.A O no hydrogen 3.035 N/A THR 158.A OG1 ILE 154.A O no hydrogen 2.554 N/A ARG 159.A N LYS 155.A O no hydrogen 3.102 N/A ARG 159.A NH1 TYR 333.A OH no hydrogen 3.225 N/A ARG 159.A NH2 GLY 163.A O no hydrogen 3.112 N/A TYR 165.A N ILE 329.A O no hydrogen 2.965 N/A THR 166.A OG1 SER 328.A OG no hydrogen 2.738 N/A TYR 167.A N ILE 327.A O no hydrogen 2.949 N/A TYR 167.A OH THR 311.A O no hydrogen 2.586 N/A TRP 173.A N TYR 192.A O no hydrogen 3.018 N/A TRP 173.A NE1 LYS 193.A O no hydrogen 3.073 N/A SER 174.A N HIS 307.A O no hydrogen 2.759 N/A SER 174.A OG LYS 190.A O no hydrogen 2.749 N/A GLU 176.A N SER 174.A OG no hydrogen 3.201 N/A ASN 179.A ND2 ARG 187.A O no hydrogen 3.017 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.771 N/A ARG 187.A NH1 GLU 176.A OE2 no hydrogen 2.679 N/A ARG 187.A NH2 GLU 176.A OE1 no hydrogen 3.096 N/A ARG 187.A NH2 GLU 176.A OE2 no hydrogen 3.259 N/A ARG 187.A NH2 PRO 188.A O no hydrogen 3.321 N/A LYS 189.A NZ GLU 141.A OE1 no hydrogen 2.871 N/A LYS 189.A NZ GLU 141.A OE2 no hydrogen 2.882 N/A LYS 190.A N GLU 176.A OE1 no hydrogen 2.827 N/A TYR 192.A N TRP 173.A O no hydrogen 2.843 N/A ASN 194.A N GLU 171.A O no hydrogen 3.349 N/A ASN 194.A ND2 PRO 170.A O no hydrogen 2.760 N/A ASN 194.A ND2 ASP 302.A OD2 no hydrogen 2.811 N/A CYS 196.A N ASN 194.A OD1 no hydrogen 3.089 N/A CYS 196.A SG ASP 299.A O no hydrogen 3.717 N/A CYS 196.A SG GLY 300.A O no hydrogen 3.452 N/A ALA 197.A N ASP 299.A O no hydrogen 2.824 N/A TYR 199.A N VAL 297.A O no hydrogen 2.805 N/A GLY 202.A N ASP 323.A OD1 no hydrogen 3.036 N/A GLY 202.A N ASP 323.A OD2 no hydrogen 3.057 N/A VAL 204.A N ILE 320.A O no hydrogen 2.890 N/A GLY 206.A N LEU 318.A O no hydrogen 3.030 N/A ARG 207.A NE ASP 232.A OD1 no hydrogen 3.013 N/A ARG 207.A NH1 TYR 122.A OH no hydrogen 2.828 N/A ARG 207.A NH2 GLU 227.A O no hydrogen 2.883 N/A ARG 207.A NH2 ASP 232.A OD1 no hydrogen 3.426 N/A ARG 207.A NH2 ASP 232.A OD2 no hydrogen 2.727 N/A VAL 208.A N VAL 316.A O no hydrogen 2.934 N/A ILE 209.A N ILE 233.A O no hydrogen 3.000 N/A GLY 211.A N PHE 235.A O no hydrogen 2.850 N/A ASN 212.A N THR 115.A OG1 no hydrogen 2.966 N/A ASN 212.A ND2 GLU 237.A OE2 no hydrogen 2.958 N/A LEU 213.A N GLU 237.A O no hydrogen 3.059 N/A ASN 214.A N ASP 238.A OD1 no hydrogen 2.928 N/A THR 215.A N ASN 212.A OD1 no hydrogen 3.007 N/A THR 215.A OG1 SER 112.A O no hydrogen 3.402 N/A THR 215.A OG1 ASN 212.A OD1 no hydrogen 2.747 N/A LEU 216.A N ASN 212.A O no hydrogen 3.092 N/A THR 217.A N ASN 214.A O no hydrogen 3.286 N/A THR 217.A OG1 ASN 214.A O no hydrogen 2.577 N/A GLY 218.A N THR 215.A O no hydrogen 2.939 N/A ILE 219.A N LEU 216.A O no hydrogen 3.105 N/A TRP 220.A NE1 ASN 256.A OD1 no hydrogen 2.847 N/A SER 222.A N ILE 219.A O no hydrogen 3.155 N/A SER 222.A OG ILE 219.A O no hydrogen 2.696 N/A TRP 224.A N SER 222.A OG no hydrogen 3.094 N/A MET 225.A N SER 222.A O no hydrogen 3.149 N/A ARG 229.A N ASP 232.A OD2 no hydrogen 2.764 N/A GLY 231.A N LYS 261.A O no hydrogen 2.858 N/A ASP 232.A N ARG 229.A O no hydrogen 3.036 N/A ILE 233.A N ARG 207.A O no hydrogen 2.772 N/A LEU 234.A N ALA 264.A O no hydrogen 2.999 N/A PHE 235.A N ILE 209.A O no hydrogen 2.851 N/A ILE 236.A N ILE 266.A O no hydrogen 2.941 N/A GLU 237.A N GLY 211.A O no hydrogen 3.087 N/A SER 239.A OG GLU 271.A OE1 no hydrogen 2.646 N/A ARG 240.A N GLU 271.A O no hydrogen 2.724 N/A ARG 240.A NH2 SER 177.A OG no hydrogen 2.939 N/A SER 242.A OG THR 245.A OG1 no hydrogen 3.171 N/A ILE 243.A N ASP 274.A O no hydrogen 2.789 N/A THR 245.A N SER 242.A OG no hydrogen 3.116 N/A THR 245.A OG1 SER 242.A OG no hydrogen 3.171 N/A VAL 246.A N SER 242.A O no hydrogen 3.059 N/A GLU 247.A N ILE 243.A O no hydrogen 2.925 N/A ARG 248.A N ALA 244.A O no hydrogen 3.134 N/A LEU 249.A N THR 245.A O no hydrogen 2.940 N/A PHE 250.A N VAL 246.A O no hydrogen 2.983 N/A SER 251.A N GLU 247.A O no hydrogen 2.894 N/A SER 251.A OG GLU 247.A O no hydrogen 3.495 N/A MET 252.A N ARG 248.A O no hydrogen 2.938 N/A LEU 253.A N LEU 249.A O no hydrogen 3.210 N/A LYS 254.A N PHE 250.A O no hydrogen 3.025 N/A LYS 254.A NZ VAL 289.A O no hydrogen 2.982 N/A LEU 255.A N SER 251.A O no hydrogen 2.835 N/A ASN 256.A N MET 252.A O no hydrogen 3.076 N/A ASN 256.A ND2 MET 252.A O no hydrogen 2.894 N/A ARG 257.A N LYS 254.A O no hydrogen 2.981 N/A VAL 258.A N LEU 253.A O no hydrogen 3.138 N/A ASP 260.A N ARG 257.A O no hydrogen 3.183 N/A LYS 261.A N VAL 258.A O no hydrogen 3.027 N/A LYS 261.A NZ ILE 228.A O no hydrogen 3.139 N/A VAL 262.A N VAL 258.A O no hydrogen 3.223 N/A SER 263.A N ASP 232.A O no hydrogen 2.833 N/A SER 263.A OG GLY 231.A O no hydrogen 2.884 N/A SER 263.A OG ASP 232.A O no hydrogen 3.315 N/A ILE 265.A N PRO 296.A O no hydrogen 3.023 N/A ILE 266.A N LEU 234.A O no hydrogen 2.709 N/A LEU 267.A N LEU 298.A O no hydrogen 2.815 N/A GLY 268.A N ILE 236.A O no hydrogen 2.915 N/A LYS 269.A N PHE 301.A O no hydrogen 3.088 N/A LYS 269.A NZ ASN 194.A OD1 no hydrogen 2.748 N/A LYS 269.A NZ GLY 300.A O no hydrogen 2.755 N/A LYS 269.A NZ ASP 302.A OD1 no hydrogen 2.780 N/A LYS 269.A NZ ASP 302.A OD2 no hydrogen 3.238 N/A LEU 272.A N ASP 175.A OD2 no hydrogen 2.915 N/A ASP 274.A N LYS 241.A O no hydrogen 3.002 N/A ALA 276.A N ASP 274.A OD1 no hydrogen 3.001 N/A SER 278.A N CYS 275.A O no hydrogen 3.050 N/A SER 278.A OG CYS 275.A O no hydrogen 2.694 N/A ARG 280.A N SER 278.A OG no hydrogen 3.175 N/A GLU 284.A N ARG 281.A O no hydrogen 3.002 N/A VAL 285.A N ARG 281.A O no hydrogen 3.441 N/A LEU 286.A N PRO 282.A O no hydrogen 2.886 N/A THR 287.A N TYR 283.A O no hydrogen 2.899 N/A THR 287.A OG1 TYR 283.A O no hydrogen 2.926 N/A GLU 288.A N GLU 284.A O no hydrogen 3.139 N/A VAL 289.A N VAL 285.A O no hydrogen 3.037 N/A LEU 290.A N LEU 286.A O no hydrogen 2.820 N/A ASP 291.A N GLU 288.A O no hydrogen 3.164 N/A LYS 293.A N LEU 290.A O no hydrogen 3.163 N/A ILE 295.A N LYS 293.A O no hydrogen 3.049 N/A VAL 297.A N TYR 199.A O no hydrogen 2.848 N/A LEU 298.A N ILE 265.A O no hydrogen 2.863 N/A ASP 299.A N ALA 197.A O no hydrogen 2.794 N/A GLY 300.A N LEU 267.A O no hydrogen 2.767 N/A PHE 301.A N LEU 267.A O no hydrogen 2.978 N/A CYS 303.A SG TYR 131.A O no hydrogen 3.593 N/A CYS 303.A SG LEU 310.A O no hydrogen 3.350 N/A SER 304.A OG LYS 269.A O no hydrogen 2.830 N/A HIS 305.A ND1 GLU 237.A OE1 no hydrogen 2.844 N/A THR 306.A N SER 304.A OG no hydrogen 3.360 N/A THR 306.A OG1 SER 304.A OG no hydrogen 3.090 N/A HIS 307.A N SER 174.A O no hydrogen 2.959 N/A MET 309.A N THR 149.A OG1 no hydrogen 2.940 N/A LEU 310.A N ASP 302.A O no hydrogen 2.753 N/A THR 311.A N SER 152.A OG no hydrogen 3.010 N/A LEU 312.A N TYR 131.A O no hydrogen 2.832 N/A LEU 314.A N THR 129.A O no hydrogen 2.869 N/A GLY 315.A N VAL 208.A O no hydrogen 2.811 N/A LYS 317.A N GLU 331.A OE1 no hydrogen 2.867 N/A LEU 318.A N GLY 206.A O no hydrogen 2.955 N/A ALA 319.A N SER 328.A O no hydrogen 2.800 N/A ILE 320.A N VAL 204.A O no hydrogen 2.763 N/A ASP 321.A N ASN 326.A O no hydrogen 2.893 N/A PHE 322.A N GLY 202.A O no hydrogen 2.879 N/A ASN 324.A N ASP 321.A OD1 no hydrogen 2.909 N/A ASN 326.A N ASP 321.A O no hydrogen 3.098 N/A SER 328.A N ALA 319.A O no hydrogen 2.837 N/A SER 328.A OG THR 166.A OG1 no hydrogen 2.738 N/A ILE 329.A N TYR 165.A O no hydrogen 2.730 N/A THR 330.A N LYS 317.A O no hydrogen 3.009 N/A THR 330.A OG1 GLU 205.A OE1 no hydrogen 2.721 N/A THR 330.A OG1 LYS 317.A O no hydrogen 3.313 N/A GLN 332.A NE2 LEU 334.A O no hydrogen 2.891 N/A TYR 333.A N GLN 161.A OE1 no hydrogen 2.943 N/A TYR 333.A OH ILE 156.A O no hydrogen 2.696 N/A LEU 334.A N GLN 161.A OE1 no hydrogen 3.445 N/A SER 335.A N ALA 4.A O no hydrogen 2.780 N/A SER 335.A OG ALA 4.A O no hydrogen 3.291 N/A