Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3leh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N LYS 157.A O no hydrogen 2.937 N/A ILE 5.A N LEU 163.A O no hydrogen 2.761 N/A ASP 6.A N LEU 155.A O no hydrogen 2.854 N/A LYS 7.A NZ ILE 60.A O no hydrogen 2.786 N/A LYS 7.A NZ ASP 65.A OD2 no hydrogen 2.828 N/A GLY 9.A N ALA 153.A O no hydrogen 2.821 N/A THR 11.A N SER 151.A O no hydrogen 3.019 N/A SER 12.A OG SER 41.A OG no hydrogen 2.563 N/A SER 12.A OG ALA 149.A O no hydrogen 2.647 N/A SER 13.A OG ILE 42.A O no hydrogen 2.774 N/A VAL 16.A N THR 314.A O no hydrogen 2.965 N/A LEU 17.A N LEU 40.A O no hydrogen 2.812 N/A MET 19.A N ASN 38.A O no hydrogen 2.883 N/A ASP 21.A N ASN 18.A O no hydrogen 3.055 N/A LEU 22.A N ASN 18.A O no hydrogen 3.233 N/A ALA 23.A N MET 19.A O no hydrogen 2.741 N/A GLU 24.A N LYS 20.A O no hydrogen 3.023 N/A ALA 25.A N ASP 21.A O no hydrogen 3.036 N/A ARG 26.A N LEU 22.A O no hydrogen 2.967 N/A ARG 26.A NH1 GLU 144.A OE2 no hydrogen 3.251 N/A ARG 26.A NH2 GLU 322.A OE2 no hydrogen 2.459 N/A GLU 28.A N ALA 23.A O no hydrogen 3.093 N/A SER 32.A OG ASN 38.A OD1 no hydrogen 3.461 N/A GLY 34.A N LYS 30.A O no hydrogen 3.061 N/A LEU 37.A N PHE 31.A O no hydrogen 3.266 N/A ASN 38.A N LYS 246.A O no hydrogen 2.891 N/A ALA 39.A N LYS 246.A O no hydrogen 3.265 N/A LEU 40.A N LEU 17.A O no hydrogen 2.973 N/A SER 41.A N ILE 248.A O no hydrogen 2.963 N/A SER 41.A OG SER 12.A OG no hydrogen 2.563 N/A ILE 42.A N TYR 15.A O no hydrogen 2.980 N/A ASP 47.A N PRO 44.A O no hydrogen 3.324 N/A ASP 48.A N THR 51.A OG1 no hydrogen 2.869 N/A THR 51.A N ASP 48.A OD1 no hydrogen 3.154 N/A THR 51.A OG1 ASP 47.A OD1 no hydrogen 2.658 N/A THR 51.A OG1 ASP 48.A O no hydrogen 3.167 N/A THR 51.A OG1 ASP 48.A OD1 no hydrogen 3.520 N/A LEU 52.A N ASP 48.A O no hydrogen 2.937 N/A ALA 53.A N VAL 49.A O no hydrogen 2.897 N/A ALA 54.A N VAL 50.A O no hydrogen 2.900 N/A GLY 55.A N THR 51.A O no hydrogen 2.859 N/A SER 56.A N LEU 52.A O no hydrogen 2.980 N/A SER 56.A OG LEU 52.A O no hydrogen 3.533 N/A SER 56.A OG ALA 53.A O no hydrogen 2.780 N/A SER 56.A OG SER 151.A OG no hydrogen 2.916 N/A ALA 57.A N ALA 53.A O no hydrogen 3.174 N/A ASN 58.A N ALA 54.A O no hydrogen 2.849 N/A GLU 59.A N GLY 55.A O no hydrogen 3.173 N/A ILE 60.A N ALA 57.A O no hydrogen 2.959 N/A LEU 61.A N ALA 57.A O no hydrogen 2.994 N/A THR 62.A N ASP 65.A OD2 no hydrogen 2.861 N/A ASP 65.A N THR 62.A OG1 no hydrogen 3.079 N/A LYS 66.A N THR 62.A O no hydrogen 2.908 N/A LYS 66.A NZ LEU 91.A O no hydrogen 2.978 N/A GLU 67.A N ALA 63.A O no hydrogen 3.176 N/A GLU 67.A N GLU 64.A O no hydrogen 2.946 N/A LYS 68.A N GLU 64.A O no hydrogen 3.041 N/A LYS 68.A N ASP 65.A O no hydrogen 3.094 N/A LYS 68.A NZ ASP 125.A OD1 no hydrogen 3.339 N/A ILE 69.A N ASP 65.A O no hydrogen 2.846 N/A ASP 70.A N ARG 127.A O no hydrogen 3.135 N/A VAL 72.A N ARG 98.A O no hydrogen 2.932 N/A ILE 73.A N LEU 129.A O no hydrogen 2.903 N/A LEU 74.A N PHE 100.A O no hydrogen 2.928 N/A ALA 75.A N LEU 131.A O no hydrogen 2.677 N/A THR 76.A N MET 102.A O no hydrogen 3.378 N/A THR 76.A OG1 SER 133.A O no hydrogen 2.788 N/A THR 76.A OG1 ASP 134.A OD2 no hydrogen 3.305 N/A GLU 77.A N ASP 134.A OD1 no hydrogen 3.455 N/A GLU 77.A N ASP 134.A OD2 no hydrogen 2.759 N/A SER 78.A N THR 76.A OG1 no hydrogen 3.046 N/A SER 78.A OG ASP 134.A OD2 no hydrogen 2.791 N/A SER 78.A OG ILE 135.A O no hydrogen 3.428 N/A LYS 81.A N ASP 79.A OD2 no hydrogen 2.926 N/A GLY 83.A N GLU 101.A OE1 no hydrogen 2.689 N/A VAL 85.A N ALA 82.A O no hydrogen 2.932 N/A VAL 87.A N GLY 83.A O no hydrogen 3.030 N/A HIS 88.A N ALA 84.A O no hydrogen 2.894 N/A HIS 88.A NE2 GLN 94.A O no hydrogen 2.907 N/A SER 89.A N VAL 85.A O no hydrogen 3.155 N/A LEU 90.A N TYR 86.A O no hydrogen 2.968 N/A LEU 91.A N VAL 87.A O no hydrogen 3.025 N/A GLY 92.A N SER 89.A O no hydrogen 2.806 N/A ILE 93.A N HIS 88.A O no hydrogen 3.295 N/A GLN 94.A N LYS 66.A O no hydrogen 3.019 N/A GLN 94.A NE2 ILE 69.A O no hydrogen 2.833 N/A GLN 94.A NE2 PHE 96.A O no hydrogen 2.986 N/A PHE 96.A N GLN 94.A OE1 no hydrogen 2.901 N/A ALA 97.A N PRO 95.A O no hydrogen 2.778 N/A ARG 98.A N ASP 70.A O no hydrogen 3.025 N/A PHE 100.A N VAL 72.A O no hydrogen 3.173 N/A MET 102.A N LEU 74.A O no hydrogen 2.887 N/A CYS 106.A SG GLU 77.A OE2 no hydrogen 3.684 N/A CYS 106.A SG HIS 209.A NE2 no hydrogen 3.307 N/A TYR 107.A N GLU 104.A O no hydrogen 3.027 N/A TYR 107.A OH GLU 288.A OE1 no hydrogen 2.749 N/A SER 108.A OG MET 102.A O no hydrogen 3.161 N/A THR 110.A N TYR 107.A O no hydrogen 3.015 N/A ALA 112.A N SER 108.A O no hydrogen 3.004 N/A LEU 113.A N ALA 109.A O no hydrogen 2.967 N/A ASN 114.A N THR 110.A O no hydrogen 3.005 N/A TYR 115.A N ALA 111.A O no hydrogen 3.007 N/A ALA 116.A N ALA 112.A O no hydrogen 2.859 N/A LYS 117.A N LEU 113.A O no hydrogen 2.949 N/A LYS 117.A NZ ASP 167.A OD1 no hydrogen 2.714 N/A LEU 118.A N ASN 114.A O no hydrogen 3.089 N/A HIS 119.A N TYR 115.A O no hydrogen 2.854 N/A HIS 119.A NE2 ASP 70.A OD1 no hydrogen 2.773 N/A VAL 120.A N ALA 116.A O no hydrogen 2.923 N/A GLU 121.A N LYS 117.A O no hydrogen 2.832 N/A LYS 122.A N LEU 118.A O no hydrogen 3.068 N/A HIS 123.A N HIS 119.A O no hydrogen 2.842 N/A THR 126.A N HIS 123.A O no hydrogen 3.048 N/A THR 126.A OG1 HIS 119.A NE2 no hydrogen 3.319 N/A THR 126.A OG1 HIS 123.A O no hydrogen 2.834 N/A ARG 127.A N LYS 68.A O no hydrogen 3.144 N/A ARG 127.A NH1 GLU 64.A OE2 no hydrogen 3.093 N/A ARG 127.A NH2 GLU 64.A OE2 no hydrogen 3.184 N/A ARG 127.A NH2 ASP 65.A OD1 no hydrogen 2.786 N/A VAL 128.A N VAL 156.A O no hydrogen 3.090 N/A LEU 129.A N MET 71.A O no hydrogen 2.968 N/A VAL 130.A N MET 154.A O no hydrogen 2.939 N/A LEU 131.A N ILE 73.A O no hydrogen 2.776 N/A ALA 132.A N ILE 152.A O no hydrogen 2.759 N/A SER 133.A N ALA 75.A O no hydrogen 3.132 N/A SER 133.A OG VAL 49.A O no hydrogen 2.822 N/A ASP 134.A N GLY 150.A O no hydrogen 3.204 N/A ILE 135.A N SER 78.A OG no hydrogen 2.946 N/A ALA 136.A N GLY 148.A O no hydrogen 2.856 N/A LYS 137.A NZ PHE 325.A O no hydrogen 2.807 N/A TYR 138.A N GLN 147.A OE1 no hydrogen 2.746 N/A GLY 140.A N GLU 144.A OE2 no hydrogen 3.022 N/A GLU 144.A N THR 141.A O no hydrogen 3.211 N/A THR 146.A N GLY 143.A O no hydrogen 3.104 N/A THR 146.A OG1 GLY 143.A O no hydrogen 3.120 N/A GLN 147.A NE2 GLU 144.A O no hydrogen 3.046 N/A GLN 147.A NE2 TYR 321.A OH no hydrogen 2.777 N/A GLY 148.A N ALA 136.A O no hydrogen 3.155 N/A GLY 150.A N ASP 134.A O no hydrogen 3.203 N/A SER 151.A N THR 11.A O no hydrogen 2.931 N/A SER 151.A OG SER 56.A OG no hydrogen 2.916 N/A ILE 152.A N ALA 132.A O no hydrogen 2.978 N/A ALA 153.A N GLY 9.A O no hydrogen 2.851 N/A MET 154.A N VAL 130.A O no hydrogen 2.811 N/A LEU 155.A N LYS 7.A O no hydrogen 3.012 N/A VAL 156.A N VAL 128.A O no hydrogen 2.872 N/A LYS 157.A N GLY 4.A O no hydrogen 3.099 N/A LYS 157.A NZ LYS 158.A O no hydrogen 2.715 N/A LYS 158.A NZ PRO 124.A O no hydrogen 3.343 N/A ASP 159.A N ARG 2.A O no hydrogen 2.836 N/A ARG 161.A N ASP 6.A OD1 no hydrogen 3.015 N/A ARG 161.A NE ASP 6.A OD1 no hydrogen 2.814 N/A ARG 161.A NH2 ASP 6.A OD2 no hydrogen 2.963 N/A ILE 162.A N ILE 5.A O no hydrogen 3.169 N/A LEU 163.A N ILE 5.A O no hydrogen 2.819 N/A ILE 164.A N THR 293.A O no hydrogen 2.871 N/A LEU 165.A N ILE 3.A O no hydrogen 2.958 N/A HIS 166.A N THR 291.A O no hydrogen 3.345 N/A HIS 166.A ND1 THR 291.A OG1 no hydrogen 3.240 N/A LEU 170.A N ILE 289.A O no hydrogen 3.047 N/A GLN 172.A N ALA 287.A O no hydrogen 2.852 N/A ARG 174.A N ALA 285.A O no hydrogen 2.998 N/A ARG 174.A NH1 ASP 183.A OD2 no hydrogen 2.213 N/A ILE 176.A N GLY 284.A O no hydrogen 2.856 N/A TYR 181.A N SER 177.A O no hydrogen 3.521 N/A TYR 181.A OH HIS 209.A O no hydrogen 2.953 N/A LEU 182.A N THR 178.A O no hydrogen 2.919 N/A ASP 183.A N LYS 179.A O no hydrogen 2.812 N/A MET 184.A N GLN 180.A O no hydrogen 2.727 N/A LEU 185.A N TYR 181.A O no hydrogen 2.886 N/A LYS 186.A N LEU 182.A O no hydrogen 2.787 N/A THR 187.A N ASP 183.A O no hydrogen 3.002 N/A THR 187.A OG1 GLN 172.A OE1 no hydrogen 2.976 N/A THR 187.A OG1 ASP 183.A O no hydrogen 2.778 N/A THR 187.A OG1 MET 184.A O no hydrogen 3.514 N/A THR 188.A N MET 184.A O no hydrogen 3.030 N/A THR 188.A OG1 GLN 172.A OE1 no hydrogen 3.190 N/A THR 188.A OG1 MET 184.A O no hydrogen 2.695 N/A TRP 189.A N LEU 185.A O no hydrogen 2.925 N/A ALA 190.A N LYS 186.A O no hydrogen 2.814 N/A GLU 191.A N THR 187.A O no hydrogen 3.080 N/A TYR 192.A N THR 188.A O no hydrogen 2.739 N/A TYR 192.A OH GLU 168.A O no hydrogen 2.931 N/A GLN 193.A N TRP 189.A O no hydrogen 3.011 N/A GLN 193.A NE2 VAL 198.A O no hydrogen 3.570 N/A LYS 194.A N ALA 190.A O no hydrogen 3.009 N/A ARG 195.A N GLU 191.A O no hydrogen 2.898 N/A ARG 195.A NE GLU 191.A OE2 no hydrogen 2.657 N/A ARG 195.A NH2 GLU 191.A OE2 no hydrogen 3.569 N/A PHE 196.A N TYR 192.A O no hydrogen 3.036 N/A SER 199.A N ASP 202.A OD2 no hydrogen 2.734 N/A THR 201.A N SER 199.A OG no hydrogen 3.353 N/A ASP 202.A N SER 199.A O no hydrogen 2.893 N/A PHE 203.A N LEU 200.A O no hydrogen 3.424 N/A ALA 204.A N LYS 275.A O no hydrogen 2.895 N/A CYS 207.A N ALA 277.A O no hydrogen 2.857 N/A HIS 209.A N PHE 279.A O no hydrogen 3.082 N/A LEU 210.A N SER 255.A OG no hydrogen 2.755 N/A LYS 214.A N LEU 35.A O no hydrogen 3.069 N/A LEU 217.A N PRO 213.A O no hydrogen 2.857 N/A LYS 218.A N LYS 214.A O no hydrogen 3.086 N/A GLY 219.A N LEU 215.A O no hydrogen 3.184 N/A PHE 220.A N ALA 216.A O no hydrogen 2.745 N/A ASN 221.A N LEU 217.A O no hydrogen 2.682 N/A LYS 222.A N LYS 218.A O no hydrogen 3.103 N/A ILE 223.A N ASN 221.A O no hydrogen 2.499 N/A GLN 231.A N PRO 227.A O no hydrogen 3.041 N/A GLU 232.A N SER 228.A O no hydrogen 3.070 N/A GLU 232.A N ASP 229.A O no hydrogen 3.140 N/A LYS 233.A N ASP 229.A O no hydrogen 2.953 N/A LYS 233.A NZ ASN 269.A OD1 no hydrogen 2.908 N/A LEU 234.A N LEU 230.A O no hydrogen 2.920 N/A LYS 235.A N GLN 231.A O no hydrogen 3.334 N/A LYS 235.A NZ GLU 239.A OE2 no hydrogen 2.212 N/A VAL 236.A N GLU 232.A O no hydrogen 2.991 N/A ASN 237.A N LYS 233.A O no hydrogen 2.869 N/A ASN 237.A ND2 ALA 204.A O no hydrogen 2.992 N/A ASN 237.A ND2 ASN 269.A OD1 no hydrogen 2.892 N/A PHE 238.A N LEU 234.A O no hydrogen 2.904 N/A GLU 239.A N LYS 235.A O no hydrogen 2.896 N/A ALA 240.A N VAL 236.A O no hydrogen 2.938 N/A SER 241.A N ASN 237.A O no hydrogen 2.946 N/A SER 241.A OG PHE 238.A O no hydrogen 2.834 N/A ILE 242.A N PHE 238.A O no hydrogen 3.358 N/A LEU 243.A N ALA 240.A O no hydrogen 3.452 N/A TYR 244.A N SER 262.A OG no hydrogen 3.025 N/A TYR 244.A OH GLU 265.A OE1 no hydrogen 2.773 N/A LYS 246.A N ILE 242.A O no hydrogen 3.077 N/A LYS 246.A N LEU 243.A O no hydrogen 3.259 N/A GLN 247.A N TYR 244.A O no hydrogen 2.927 N/A ILE 248.A N SER 245.A O no hydrogen 3.259 N/A GLY 249.A N SER 245.A O no hydrogen 3.044 N/A ASN 250.A N GLN 147.A O no hydrogen 3.363 N/A TYR 252.A N ASN 250.A OD1 no hydrogen 2.608 N/A TYR 252.A OH TYR 138.A OH no hydrogen 3.221 N/A THR 253.A N ASP 134.A OD1 no hydrogen 3.154 N/A THR 253.A OG1 ALA 75.A O no hydrogen 3.228 N/A THR 253.A OG1 ASP 134.A OD1 no hydrogen 2.718 N/A GLY 254.A N ILE 251.A O no hydrogen 3.293 N/A SER 255.A N TYR 252.A O no hydrogen 3.088 N/A SER 255.A OG TYR 252.A O no hydrogen 3.473 N/A PHE 257.A N GLY 254.A O no hydrogen 2.946 N/A LEU 258.A N GLY 254.A O no hydrogen 2.804 N/A GLY 259.A N SER 255.A O no hydrogen 2.938 N/A LEU 260.A N LEU 256.A O no hydrogen 3.061 N/A LEU 261.A N PHE 257.A O no hydrogen 2.924 N/A SER 262.A N LEU 258.A O no hydrogen 2.846 N/A SER 262.A OG ALA 240.A O no hydrogen 2.769 N/A LEU 263.A N GLY 259.A O no hydrogen 2.708 N/A LEU 264.A N LEU 260.A O no hydrogen 2.845 N/A GLU 265.A N LEU 261.A O no hydrogen 2.927 N/A ASN 266.A N LEU 263.A O no hydrogen 3.330 N/A ASN 266.A ND2 TYR 244.A OH no hydrogen 3.378 N/A ASN 266.A ND2 SER 262.A O no hydrogen 2.903 N/A SER 267.A N LEU 263.A O no hydrogen 2.971 N/A SER 267.A OG ASN 237.A OD1 no hydrogen 2.841 N/A ASN 269.A N SER 267.A OG no hydrogen 3.051 N/A ASN 269.A ND2 ASN 237.A OD1 no hydrogen 2.913 N/A VAL 271.A N ASP 274.A OD2 no hydrogen 2.870 N/A GLY 273.A N LEU 294.A O no hydrogen 2.937 N/A ASP 274.A N VAL 271.A O no hydrogen 3.004 N/A LYS 275.A NZ THR 293.A OG1 no hydrogen 3.217 N/A ILE 276.A N GLY 292.A O no hydrogen 2.857 N/A ALA 277.A N ALA 205.A O no hydrogen 3.013 N/A LEU 278.A N PHE 290.A O no hydrogen 2.991 N/A PHE 279.A N CYS 207.A O no hydrogen 2.952 N/A SER 280.A N GLU 288.A O no hydrogen 2.845 N/A SER 280.A OG THR 110.A OG1 no hydrogen 2.868 N/A GLY 282.A N VAL 286.A O no hydrogen 2.800 N/A ALA 285.A N ARG 174.A O no hydrogen 2.728 N/A VAL 286.A N GLY 282.A O no hydrogen 2.930 N/A ALA 287.A N GLN 172.A O no hydrogen 2.963 N/A GLU 288.A N SER 280.A O no hydrogen 3.040 N/A ILE 289.A N LEU 170.A O no hydrogen 2.913 N/A PHE 290.A N LEU 278.A O no hydrogen 3.117 N/A THR 291.A OG1 HIS 166.A ND1 no hydrogen 3.240 N/A GLY 292.A N ILE 276.A O no hydrogen 3.005 N/A THR 293.A N ILE 164.A O no hydrogen 2.902 N/A LEU 294.A N ASP 274.A O no hydrogen 2.866 N/A VAL 295.A N ILE 162.A O no hydrogen 2.919 N/A PHE 298.A N VAL 295.A O no hydrogen 3.086 N/A GLU 300.A N GLY 297.A O no hydrogen 2.928 N/A GLN 301.A N PHE 298.A O no hydrogen 3.215 N/A LEU 302.A N LYS 299.A O no hydrogen 3.014 N/A GLN 303.A N GLU 265.A OE2 no hydrogen 2.729 N/A GLN 303.A NE2 GLU 59.A OE1 no hydrogen 3.356 N/A ARG 306.A NE GLU 265.A OE1 no hydrogen 2.750 N/A ARG 306.A NH2 GLU 265.A OE2 no hydrogen 3.084 N/A LYS 309.A N ASN 305.A O no hydrogen 2.921 N/A LYS 309.A NZ GLN 303.A OE1 no hydrogen 3.357 N/A LEU 310.A N ARG 306.A O no hydrogen 2.970 N/A LYS 311.A N LEU 307.A O no hydrogen 3.301 N/A LYS 311.A N ASP 308.A O no hydrogen 3.091 N/A ARG 312.A N LYS 309.A O no hydrogen 2.934 N/A ARG 313.A N LEU 310.A O no hydrogen 3.206 N/A ARG 313.A NE LEU 310.A O no hydrogen 2.864 N/A ARG 313.A NH1 SER 41.A OG no hydrogen 2.846 N/A ARG 313.A NH1 GLN 247.A O no hydrogen 2.847 N/A ARG 313.A NH2 GLN 247.A O no hydrogen 2.961 N/A THR 314.A N GLN 14.A O no hydrogen 2.741 N/A LEU 316.A N VAL 16.A O no hydrogen 2.958 N/A ASN 320.A N SER 317.A OG no hydrogen 3.040 N/A TYR 321.A N SER 317.A O no hydrogen 2.856 N/A TYR 321.A OH GLU 144.A OE1 no hydrogen 2.637 N/A GLU 322.A N VAL 318.A O no hydrogen 2.916 N/A LYS 323.A N GLU 319.A O no hydrogen 3.224 N/A ILE 324.A N ASN 320.A O no hydrogen 2.983 N/A PHE 325.A N TYR 321.A O no hydrogen 2.845 N/A PHE 326.A N GLU 322.A O no hydrogen 3.310 N/A ALA 331.A N ILE 346.A O no hydrogen 3.253 N/A TYR 336.A OH GLU 327.A OE1 no hydrogen 2.639 N/A GLN 337.A N TYR 15.A OH no hydrogen 2.725 N/A THR 338.A OG1 GLY 339.A O no hydrogen 2.986 N/A ALA 342.A N GLY 354.A O no hydrogen 2.905 N/A LEU 343.A N THR 46.A O no hydrogen 2.691 N/A LYS 344.A N ILE 352.A O no hydrogen 2.773 N/A LYS 344.A NZ LYS 355.A O no hydrogen 3.075 N/A ILE 346.A N ALA 331.A O no hydrogen 2.964 N/A LEU 347.A N GLN 350.A O no hydrogen 2.845 N/A GLN 350.A N LEU 347.A O no hydrogen 2.682 N/A ILE 352.A N GLU 345.A O no hydrogen 2.817 N/A TYR 353.A OH ASP 48.A OD2 no hydrogen 2.947 N/A GLY 354.A N ALA 342.A O no hydrogen 3.202 N/A VAL 356.A N PRO 340.A O no hydrogen 2.971 N/A