Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lu1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N MET 2.A O no hydrogen 2.683 N/A GLU 7.A N SER 3.A O no hydrogen 2.703 N/A ILE 8.A N ARG 4.A O no hydrogen 2.856 N/A THR 9.A N TYR 5.A O no hydrogen 2.846 N/A THR 9.A OG1 TYR 5.A O no hydrogen 2.929 N/A THR 9.A OG1 GLU 6.A O no hydrogen 2.721 N/A GLN 10.A N GLU 6.A O no hydrogen 3.116 N/A GLN 11.A N GLU 7.A O no hydrogen 2.898 N/A LEU 12.A N ILE 8.A O no hydrogen 2.861 N/A ILE 13.A N THR 9.A O no hydrogen 2.983 N/A PHE 14.A N GLN 10.A O no hydrogen 3.265 N/A SER 15.A N GLN 11.A O no hydrogen 3.256 N/A LYS 17.A N GLN 41.A OE1 no hydrogen 2.693 N/A THR 18.A N ASP 93.A OD2 no hydrogen 2.876 N/A TRP 19.A N VAL 42.A O no hydrogen 2.894 N/A TRP 19.A NE1 GLN 41.A OE1 no hydrogen 2.818 N/A LEU 20.A N HIS 94.A O no hydrogen 2.928 N/A ILE 21.A N ILE 44.A O no hydrogen 3.063 N/A THR 22.A N LEU 96.A O no hydrogen 3.240 N/A THR 22.A OG1 HIS 97.A ND1 no hydrogen 2.853 N/A GLY 23.A N LEU 46.A O no hydrogen 2.802 N/A ALA 25.A N ASP 47.A OD2 no hydrogen 3.061 N/A GLY 26.A N GLY 23.A O no hydrogen 2.915 N/A SER 30.A N GLY 26.A O no hydrogen 2.976 N/A SER 30.A OG GLY 26.A O no hydrogen 2.719 N/A SER 30.A OG PHE 27.A O no hydrogen 3.455 N/A ASN 31.A N PHE 27.A O no hydrogen 3.367 N/A ASN 31.A ND2 PHE 27.A O no hydrogen 2.752 N/A ASN 31.A ND2 ARG 199.A O no hydrogen 3.062 N/A LEU 32.A N ILE 28.A O no hydrogen 2.960 N/A LEU 33.A N GLY 29.A O no hydrogen 2.873 N/A GLU 34.A N SER 30.A O no hydrogen 2.992 N/A LYS 35.A N ASN 31.A O no hydrogen 3.391 N/A LEU 36.A N LEU 32.A O no hydrogen 2.982 N/A LEU 37.A N LEU 33.A O no hydrogen 3.032 N/A LYS 38.A N GLU 34.A O no hydrogen 2.959 N/A LYS 38.A NZ GLU 34.A OE2 no hydrogen 3.234 N/A LEU 39.A N LEU 36.A O no hydrogen 3.161 N/A ASN 40.A N LEU 37.A O no hydrogen 3.159 N/A GLN 41.A N LEU 36.A O no hydrogen 3.237 N/A GLN 41.A NE2 LEU 12.A O no hydrogen 3.085 N/A GLN 41.A NE2 LEU 39.A O no hydrogen 3.102 N/A VAL 42.A N LYS 17.A O no hydrogen 3.104 N/A VAL 43.A N ARG 71.A O no hydrogen 3.120 N/A ILE 44.A N TRP 19.A O no hydrogen 2.781 N/A GLY 45.A N CYS 73.A O no hydrogen 2.989 N/A LEU 46.A N ILE 21.A O no hydrogen 3.016 N/A ASP 47.A N ILE 75.A O no hydrogen 3.315 N/A ASN 48.A ND2 ASP 78.A OD2 no hydrogen 3.245 N/A PHE 49.A N ASP 47.A OD1 no hydrogen 2.853 N/A SER 50.A N ASN 48.A OD1 no hydrogen 3.063 N/A SER 50.A OG ASN 48.A OD1 no hydrogen 2.634 N/A HIS 53.A N ALA 25.A O no hydrogen 3.044 N/A TYR 55.A OH ASP 202.A OD2 no hydrogen 3.105 N/A ASN 56.A ND2 ALA 25.A O no hydrogen 3.052 N/A ASP 58.A N GLN 54.A O no hydrogen 2.916 N/A GLU 59.A N TYR 55.A O no hydrogen 2.791 N/A VAL 60.A N ASN 56.A O no hydrogen 3.290 N/A LYS 61.A N LEU 57.A O no hydrogen 3.246 N/A THR 62.A N GLU 59.A O no hydrogen 3.124 N/A THR 62.A OG1 GLU 59.A O no hydrogen 2.832 N/A LEU 63.A N VAL 60.A O no hydrogen 3.174 N/A SER 65.A N GLN 68.A OE1 no hydrogen 3.120 N/A GLN 68.A N SER 65.A OG no hydrogen 2.818 N/A GLN 68.A NE2 ASN 40.A OD1 no hydrogen 3.241 N/A TRP 69.A N SER 65.A O no hydrogen 3.158 N/A SER 70.A N THR 66.A O no hydrogen 3.038 N/A SER 70.A OG GLU 67.A O no hydrogen 3.020 N/A ARG 71.A NH1 ASN 40.A OD1 no hydrogen 3.156 N/A ARG 71.A NH2 GLU 67.A OE1 no hydrogen 3.484 N/A PHE 72.A N TRP 69.A O no hydrogen 3.040 N/A CYS 73.A N VAL 43.A O no hydrogen 3.061 N/A ILE 75.A N GLY 45.A O no hydrogen 2.756 N/A GLY 77.A N ASP 47.A O no hydrogen 2.829 N/A ARG 80.A N ASP 78.A OD1 no hydrogen 2.961 N/A ARG 80.A NE ASP 78.A OD1 no hydrogen 2.929 N/A ARG 80.A NH2 ASP 78.A OD2 no hydrogen 2.925 N/A ASP 81.A N ASP 78.A O no hydrogen 3.143 N/A THR 83.A OG1 ASP 81.A OD2 no hydrogen 3.360 N/A CYS 85.A N ASP 81.A O no hydrogen 3.350 N/A CYS 85.A SG ILE 79.A O no hydrogen 3.203 N/A CYS 85.A SG ASP 81.A O no hydrogen 3.371 N/A GLU 86.A N LEU 82.A O no hydrogen 2.867 N/A GLN 87.A N THR 83.A O no hydrogen 2.696 N/A VAL 88.A N THR 84.A O no hydrogen 2.955 N/A MET 89.A N GLU 86.A O no hydrogen 3.266 N/A VAL 92.A N MET 89.A O no hydrogen 3.089 N/A ASP 93.A N THR 18.A O no hydrogen 2.786 N/A HIS 94.A N THR 18.A O no hydrogen 3.138 N/A HIS 94.A ND1 SER 136.A OG no hydrogen 2.596 N/A VAL 95.A N SER 136.A O no hydrogen 2.933 N/A LEU 96.A N LEU 20.A O no hydrogen 2.798 N/A HIS 97.A N THR 138.A O no hydrogen 2.838 N/A GLN 98.A N THR 22.A O no hydrogen 3.066 N/A GLN 98.A N THR 22.A OG1 no hydrogen 3.164 N/A GLN 98.A NE2 ASN 246.A OD1 no hydrogen 3.074 N/A ALA 99.A N THR 22.A OG1 no hydrogen 3.140 N/A LEU 101.A N ASN 118.A OD1 no hydrogen 2.773 N/A ARG 106.A N SER 103.A OG no hydrogen 3.394 N/A ARG 106.A NE GLY 102.A O no hydrogen 3.119 N/A SER 107.A N SER 103.A O no hydrogen 3.245 N/A SER 107.A N VAL 104.A O no hydrogen 3.263 N/A SER 107.A OG VAL 104.A O no hydrogen 2.664 N/A ILE 108.A N VAL 104.A O no hydrogen 3.262 N/A ILE 108.A N PRO 105.A O no hydrogen 3.185 N/A VAL 109.A N PRO 105.A O no hydrogen 3.004 N/A ASP 110.A N ARG 106.A O no hydrogen 2.900 N/A THR 113.A N ASP 110.A OD1 no hydrogen 3.362 N/A THR 113.A OG1 ASP 110.A OD1 no hydrogen 3.519 N/A THR 113.A OG1 ASP 110.A OD2 no hydrogen 2.706 N/A THR 114.A OG1 ASP 110.A O no hydrogen 3.252 N/A ASN 115.A N PRO 111.A O no hydrogen 2.930 N/A ALA 116.A N ILE 112.A O no hydrogen 3.165 N/A THR 117.A N THR 113.A O no hydrogen 2.914 N/A THR 117.A OG1 THR 113.A O no hydrogen 3.027 N/A ASN 118.A N THR 114.A O no hydrogen 2.865 N/A ASN 118.A ND2 LEU 101.A O no hydrogen 2.839 N/A ILE 119.A N ASN 115.A O no hydrogen 2.818 N/A THR 120.A N ASN 115.A O no hydrogen 3.351 N/A GLY 121.A N ALA 116.A O no hydrogen 2.991 N/A LEU 123.A N ILE 119.A O no hydrogen 2.961 N/A ASN 124.A N THR 120.A O no hydrogen 2.944 N/A ASN 124.A ND2 ILE 79.A O no hydrogen 2.907 N/A ILE 125.A N GLY 121.A O no hydrogen 3.123 N/A LEU 126.A N PHE 122.A O no hydrogen 2.853 N/A HIS 127.A N LEU 123.A O no hydrogen 2.841 N/A HIS 127.A ND1 TYR 180.A OH no hydrogen 2.770 N/A ALA 128.A N ASN 124.A O no hydrogen 3.029 N/A ALA 129.A N ILE 125.A O no hydrogen 3.036 N/A LYS 130.A N LEU 126.A O no hydrogen 2.973 N/A LYS 130.A NZ ASN 131.A OD1 no hydrogen 2.516 N/A ASN 131.A N HIS 127.A O no hydrogen 2.889 N/A ALA 132.A N ALA 128.A O no hydrogen 2.911 N/A GLN 133.A N LYS 130.A O no hydrogen 3.137 N/A VAL 134.A N ALA 129.A O no hydrogen 3.331 N/A GLN 135.A N ASP 93.A O no hydrogen 2.765 N/A SER 136.A N ASP 93.A O no hydrogen 3.163 N/A SER 136.A OG HIS 94.A ND1 no hydrogen 2.596 N/A SER 136.A OG ALA 250.A O no hydrogen 2.903 N/A THR 138.A N VAL 95.A O no hydrogen 2.779 N/A TYR 139.A N ILE 189.A O no hydrogen 3.165 N/A ALA 140.A N HIS 97.A O no hydrogen 3.043 N/A ALA 141.A N LEU 191.A O no hydrogen 2.664 N/A SER 142.A OG SER 144.A OG no hydrogen 2.939 N/A SER 143.A OG TYR 193.A O no hydrogen 3.272 N/A SER 144.A N SER 142.A OG no hydrogen 3.030 N/A SER 144.A OG SER 142.A OG no hydrogen 2.939 N/A TYR 146.A N SER 143.A O no hydrogen 3.100 N/A TYR 146.A OH ASN 262.A OD1 no hydrogen 2.777 N/A GLY 147.A N SER 144.A O no hydrogen 2.961 N/A ASP 148.A N ASN 161.A O no hydrogen 3.223 N/A HIS 149.A N TYR 146.A O no hydrogen 3.092 N/A LYS 154.A N GLN 302.A O no hydrogen 2.695 N/A LYS 154.A NZ HIS 149.A O no hydrogen 3.124 N/A LYS 154.A NZ ALA 151.A O no hydrogen 2.538 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.682 N/A ASN 158.A N VAL 155.A O no hydrogen 3.296 N/A GLY 160.A N TYR 146.A O no hydrogen 3.265 N/A ASN 161.A N ASP 148.A OD1 no hydrogen 2.903 N/A ASN 161.A ND2 ASP 148.A OD2 no hydrogen 3.036 N/A ALA 167.A N SER 164.A OG no hydrogen 3.213 N/A VAL 168.A N SER 164.A O no hydrogen 3.190 N/A THR 169.A N PRO 165.A O no hydrogen 3.253 N/A THR 169.A OG1 TYR 166.A O no hydrogen 2.793 N/A LYS 170.A N TYR 166.A O no hydrogen 3.246 N/A LYS 170.A NZ ALA 140.A O no hydrogen 2.716 N/A TYR 171.A N ALA 167.A O no hydrogen 2.895 N/A VAL 172.A N VAL 168.A O no hydrogen 2.777 N/A ASN 173.A N THR 169.A O no hydrogen 2.932 N/A GLU 174.A N LYS 170.A O no hydrogen 3.378 N/A ILE 175.A N TYR 171.A O no hydrogen 3.115 N/A TYR 176.A N VAL 172.A O no hydrogen 2.998 N/A ALA 177.A N ASN 173.A O no hydrogen 3.024 N/A GLN 178.A N GLU 174.A O no hydrogen 2.858 N/A VAL 179.A N ILE 175.A O no hydrogen 2.864 N/A TYR 180.A N TYR 176.A O no hydrogen 2.771 N/A TYR 180.A OH HIS 127.A ND1 no hydrogen 2.770 N/A ALA 181.A N ALA 177.A O no hydrogen 3.164 N/A ARG 182.A N GLN 178.A O no hydrogen 3.025 N/A THR 183.A N VAL 179.A O no hydrogen 2.925 N/A TYR 184.A N TYR 180.A O no hydrogen 2.943 N/A GLY 185.A N ALA 181.A O no hydrogen 3.131 N/A PHE 186.A N TYR 180.A O no hydrogen 3.349 N/A LYS 187.A NZ ASP 254.A O no hydrogen 3.115 N/A LYS 187.A NZ ASP 254.A OD1 no hydrogen 3.269 N/A ILE 189.A N PHE 137.A O no hydrogen 3.033 N/A GLY 190.A N ASN 259.A O no hydrogen 3.102 N/A LEU 191.A N TYR 139.A O no hydrogen 3.106 N/A ARG 192.A N TYR 261.A O no hydrogen 2.911 N/A ARG 192.A NE GLU 174.A OE2 no hydrogen 2.916 N/A ARG 192.A NH1 TYR 146.A OH no hydrogen 2.965 N/A ARG 192.A NH1 GLU 156.A O no hydrogen 3.087 N/A ARG 192.A NH2 GLU 174.A OE1 no hydrogen 3.014 N/A TYR 193.A N ALA 141.A O no hydrogen 3.489 N/A TYR 193.A OH GLN 98.A OE1 no hydrogen 2.660 N/A PHE 197.A N CYS 237.A O no hydrogen 3.024 N/A ARG 200.A NE SER 30.A OG no hydrogen 3.023 N/A ARG 200.A NH1 GLU 34.A OE1 no hydrogen 3.559 N/A ARG 200.A NH1 GLU 59.A OE2 no hydrogen 2.883 N/A ARG 200.A NH2 SER 30.A O no hydrogen 3.296 N/A ARG 200.A NH2 GLU 34.A OE1 no hydrogen 2.787 N/A GLN 201.A N GLY 198.A O no hydrogen 3.465 N/A GLN 201.A NE2 VAL 196.A O no hydrogen 3.313 N/A ASN 204.A N ASP 202.A OD1 no hydrogen 2.921 N/A ALA 208.A N GLY 205.A O no hydrogen 3.336 N/A LYS 213.A N ALA 209.A O no hydrogen 3.007 N/A TRP 214.A N VAL 210.A O no hydrogen 2.814 N/A THR 215.A N ILE 211.A O no hydrogen 3.044 N/A THR 215.A OG1 ILE 211.A O no hydrogen 2.968 N/A ALA 216.A N PRO 212.A O no hydrogen 3.220 N/A ALA 217.A N LYS 213.A O no hydrogen 3.127 N/A MET 218.A N TRP 214.A O no hydrogen 2.752 N/A LEU 219.A N THR 215.A O no hydrogen 2.960 N/A LYS 220.A N ALA 216.A O no hydrogen 3.161 N/A GLY 221.A N ALA 217.A O no hydrogen 2.815 N/A ASP 222.A N ALA 217.A O no hydrogen 2.823 N/A ILE 226.A N LYS 289.A O no hydrogen 3.007 N/A GLY 228.A N ARG 291.A O no hydrogen 2.908 N/A GLU 231.A N ASP 229.A OD1 no hydrogen 3.351 N/A SER 233.A N ARG 299.A O no hydrogen 3.290 N/A SER 233.A OG HIS 300.A ND1 no hydrogen 2.632 N/A ARG 234.A N THR 269.A O no hydrogen 2.856 N/A ARG 234.A NH1 SER 233.A O no hydrogen 3.275 N/A ARG 234.A NH1 VAL 298.A O no hydrogen 2.730 N/A ARG 234.A NH2 VAL 298.A O no hydrogen 3.097 N/A CYS 237.A N ASN 195.A O no hydrogen 2.886 N/A CYS 237.A SG TYR 238.A O no hydrogen 3.669 N/A CYS 237.A SG VAL 263.A O no hydrogen 4.047 N/A ILE 239.A N PHE 197.A O no hydrogen 2.871 N/A ASN 241.A N TYR 238.A O no hydrogen 3.095 N/A ASN 241.A ND2 TYR 238.A O no hydrogen 3.071 N/A ASN 241.A ND2 ILE 318.A O no hydrogen 3.219 N/A ILE 243.A N ILE 239.A O no hydrogen 2.805 N/A GLN 244.A N ASP 240.A O no hydrogen 2.861 N/A GLN 244.A NE2 ARG 315.A O no hydrogen 2.909 N/A MET 245.A N ASN 241.A O no hydrogen 3.143 N/A ASN 246.A N VAL 242.A O no hydrogen 3.016 N/A ASN 246.A ND2 TYR 193.A OH no hydrogen 3.119 N/A ASN 246.A ND2 VAL 242.A O no hydrogen 2.931 N/A ILE 247.A N ILE 243.A O no hydrogen 3.439 N/A LEU 248.A N GLN 244.A O no hydrogen 2.931 N/A SER 249.A N MET 245.A O no hydrogen 3.071 N/A SER 249.A OG MET 245.A O no hydrogen 2.723 N/A ALA 250.A N ASN 246.A O no hydrogen 2.999 N/A LEU 251.A N ILE 247.A O no hydrogen 3.348 N/A LEU 251.A N LEU 248.A O no hydrogen 3.316 N/A ALA 252.A N SER 249.A O no hydrogen 3.334 N/A LYS 253.A NZ LEU 311.A O no hydrogen 3.431 N/A ALA 256.A N LYS 253.A O no hydrogen 3.081 N/A LYS 257.A N ASP 254.A O no hydrogen 3.048 N/A LYS 257.A NZ GLN 135.A O no hydrogen 2.938 N/A ASN 259.A N THR 188.A O no hydrogen 3.356 N/A ASN 259.A ND2 LYS 257.A O no hydrogen 2.439 N/A TYR 261.A N GLY 190.A O no hydrogen 3.053 N/A TYR 261.A OH ALA 256.A O no hydrogen 2.549 N/A ASN 262.A N GLU 156.A OE2 no hydrogen 2.741 N/A ASN 262.A ND2 TYR 146.A OH no hydrogen 3.010 N/A ASN 262.A ND2 ASP 304.A O no hydrogen 3.213 N/A VAL 263.A N ARG 192.A O no hydrogen 2.968 N/A VAL 265.A N ASP 235.A OD1 no hydrogen 3.250 N/A GLY 266.A N ASP 235.A OD2 no hydrogen 2.954 N/A ARG 268.A NE SER 233.A OG no hydrogen 2.880 N/A ARG 268.A NH2 SER 233.A OG no hydrogen 3.386 N/A THR 269.A N ARG 234.A O no hydrogen 2.929 N/A THR 270.A N GLU 273.A OE1 no hydrogen 2.842 N/A LEU 271.A N THR 232.A O no hydrogen 2.937 N/A ASN 272.A N GLY 230.A O no hydrogen 3.041 N/A ASN 272.A ND2 ASP 229.A O no hydrogen 3.427 N/A ASN 272.A ND2 GLU 231.A OE1 no hydrogen 2.716 N/A GLU 273.A N THR 270.A OG1 no hydrogen 3.366 N/A LEU 274.A N THR 270.A O no hydrogen 3.067 N/A SER 275.A N LEU 271.A O no hydrogen 3.263 N/A SER 275.A OG LEU 271.A O no hydrogen 3.547 N/A SER 275.A OG ASN 272.A O no hydrogen 2.434 N/A GLY 276.A N ASN 272.A O no hydrogen 3.417 N/A TYR 277.A N GLU 273.A O no hydrogen 3.005 N/A ILE 278.A N LEU 274.A O no hydrogen 2.857 N/A TYR 279.A N SER 275.A O no hydrogen 2.889 N/A ASP 280.A N GLY 276.A O no hydrogen 3.021 N/A GLU 281.A N TYR 277.A O no hydrogen 3.127 N/A LEU 282.A N TYR 279.A O no hydrogen 3.281 N/A ASN 283.A N TYR 279.A O no hydrogen 2.976 N/A ASN 283.A ND2 TYR 279.A O no hydrogen 3.302 N/A LEU 284.A N ASP 280.A O no hydrogen 3.236 N/A ILE 285.A N LEU 282.A O no hydrogen 3.224 N/A HIS 286.A N ASN 283.A O no hydrogen 2.738 N/A LYS 289.A N VAL 224.A O no hydrogen 2.867 N/A TYR 290.A OH ASN 272.A OD1 no hydrogen 2.708 N/A ARG 291.A N ILE 226.A O no hydrogen 3.038 N/A ARG 291.A NE ASN 227.A OD1 no hydrogen 2.783 N/A ARG 291.A NH2 ASN 227.A OD1 no hydrogen 3.425 N/A ARG 299.A NH1 ASP 229.A OD1 no hydrogen 3.041 N/A ARG 299.A NH1 THR 232.A OG1 no hydrogen 3.111 N/A ARG 299.A NH2 ASP 229.A OD2 no hydrogen 3.168 N/A HIS 300.A ND1 SER 233.A OG no hydrogen 2.632 N/A SER 301.A N SER 233.A O no hydrogen 2.969 N/A GLN 302.A NE2 GLY 266.A O no hydrogen 2.906 N/A ALA 303.A N ASP 235.A OD2 no hydrogen 2.991 N/A ASP 304.A N LYS 154.A O no hydrogen 2.947 N/A THR 306.A N ASP 304.A OD1 no hydrogen 3.202 N/A THR 306.A OG1 ASP 304.A OD1 no hydrogen 3.103 N/A LYS 307.A NZ ASN 259.A OD1 no hydrogen 3.059 N/A LYS 307.A NZ ILE 260.A O no hydrogen 2.713 N/A ILE 309.A N VAL 305.A O no hydrogen 3.219 N/A ASP 310.A N THR 306.A O no hydrogen 2.810 N/A LEU 311.A N LYS 307.A O no hydrogen 2.811 N/A LEU 312.A N ALA 308.A O no hydrogen 3.017 N/A LYS 313.A NZ ASP 310.A O no hydrogen 2.817 N/A TYR 314.A N ALA 308.A O no hydrogen 3.114 N/A TYR 314.A OH ALA 264.A O no hydrogen 2.760 N/A ARG 315.A N GLN 244.A OE1 no hydrogen 3.011 N/A ASN 317.A N ASN 241.A OD1 no hydrogen 3.331 N/A GLY 323.A N LYS 319.A O no hydrogen 2.915 N/A LEU 324.A N ILE 320.A O no hydrogen 2.813 N/A ARG 325.A N ARG 321.A O no hydrogen 3.278 N/A LEU 326.A N GLU 322.A O no hydrogen 3.212 N/A SER 327.A N LEU 324.A O no hydrogen 3.128 N/A SER 327.A OG GLY 323.A O no hydrogen 2.712 N/A MET 328.A N LEU 324.A O no hydrogen 2.942 N/A TRP 330.A NE1 GLU 59.A OE1 no hydrogen 2.884 N/A TRP 330.A NE1 GLU 59.A OE2 no hydrogen 2.812 N/A TYR 331.A N SER 327.A O no hydrogen 3.277 N/A TYR 331.A OH GLY 198.A O no hydrogen 2.954 N/A TYR 331.A OH GLN 201.A O no hydrogen 2.843 N/A VAL 332.A N MET 328.A O no hydrogen 3.106 N/A ARG 333.A N PRO 329.A O no hydrogen 3.155 N/A LEU 335.A N TYR 331.A O no hydrogen 3.124 N/A