Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dnd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N VAL 1.A O no hydrogen 2.757 N/A ALA 6.A N LYS 2.A O no hydrogen 2.995 N/A LYS 7.A N GLU 3.A O no hydrogen 3.365 N/A ALA 8.A N PHE 4.A O no hydrogen 2.904 N/A LYS 9.A N LEU 5.A O no hydrogen 2.912 N/A GLU 10.A N ALA 6.A O no hydrogen 3.238 N/A ASP 11.A N LYS 7.A O no hydrogen 3.049 N/A PHE 12.A N ALA 8.A O no hydrogen 2.785 N/A LEU 13.A N LYS 9.A O no hydrogen 2.868 N/A LYS 14.A N GLU 10.A O no hydrogen 3.384 N/A TRP 16.A N PHE 12.A O no hydrogen 2.830 N/A GLU 17.A N LEU 13.A O no hydrogen 3.108 N/A ASN 18.A N LYS 14.A O no hydrogen 3.147 N/A ALA 20.A N GLN 82.A OE1 no hydrogen 3.070 N/A GLN 21.A NE2 SER 332.A O no hydrogen 3.230 N/A GLN 21.A NE2 PHE 334.A O no hydrogen 2.778 N/A THR 23.A N SER 95.A O no hydrogen 2.899 N/A THR 23.A OG1 SER 95.A O no hydrogen 3.095 N/A HIS 25.A NE2 ASP 27.A OD2 no hydrogen 2.971 N/A GLN 28.A N HIS 25.A O no hydrogen 3.160 N/A PHE 29.A N LEU 26.A O no hydrogen 3.068 N/A GLU 30.A N LYS 47.A O no hydrogen 2.903 N/A ILE 32.A N LEU 45.A O no hydrogen 3.021 N/A LYS 33.A N LEU 45.A O no hydrogen 3.500 N/A LYS 33.A NZ ASP 314.A OD1 no hydrogen 2.762 N/A THR 34.A N GLU 317.A OE2 no hydrogen 3.234 N/A THR 34.A OG1 GLU 317.A OE1 no hydrogen 2.507 N/A LEU 35.A N VAL 43.A O no hydrogen 2.831 N/A GLY 38.A N GLY 41.A O no hydrogen 3.031 N/A ARG 42.A N ILE 59.A O no hydrogen 3.233 N/A ARG 42.A NH1 THR 34.A OG1 no hydrogen 3.033 N/A ARG 42.A NH1 GLU 316.A O no hydrogen 3.034 N/A ARG 42.A NH2 GLU 316.A O no hydrogen 3.564 N/A VAL 43.A N GLY 36.A O no hydrogen 2.933 N/A MET 44.A N MET 57.A O no hydrogen 2.805 N/A LEU 45.A N LYS 33.A O no hydrogen 2.634 N/A VAL 46.A N TYR 55.A O no hydrogen 2.877 N/A LYS 47.A N GLU 30.A O no hydrogen 2.822 N/A HIS 48.A N ASN 53.A O no hydrogen 2.664 N/A MET 49.A N GLN 28.A O no hydrogen 3.399 N/A THR 51.A N HIS 48.A O no hydrogen 3.125 N/A THR 51.A OG1 HIS 48.A O no hydrogen 3.423 N/A GLY 52.A N HIS 48.A O no hydrogen 2.583 N/A ASN 53.A N THR 51.A OG1 no hydrogen 3.117 N/A TYR 55.A N VAL 46.A O no hydrogen 2.828 N/A ALA 56.A N MET 106.A O no hydrogen 2.956 N/A MET 57.A N MET 44.A O no hydrogen 2.824 N/A LYS 58.A N MET 104.A O no hydrogen 2.840 N/A LYS 58.A NZ GLU 77.A OE1 no hydrogen 3.391 N/A LYS 58.A NZ GLU 77.A OE2 no hydrogen 2.958 N/A ILE 59.A N ARG 42.A O no hydrogen 2.780 N/A LEU 60.A N LEU 102.A O no hydrogen 2.799 N/A ASP 61.A N PHE 40.A O no hydrogen 2.705 N/A LYS 62.A N SER 100.A O no hydrogen 2.968 N/A LYS 62.A NZ ASP 98.A O no hydrogen 2.573 N/A LYS 62.A NZ ASN 99.A O no hydrogen 3.149 N/A LYS 62.A NZ LYS 326.A O no hydrogen 2.972 N/A LYS 64.A N ASP 61.A OD1 no hydrogen 3.168 N/A VAL 65.A N ASP 61.A O no hydrogen 3.159 N/A VAL 66.A N LYS 62.A O no hydrogen 3.066 N/A LYS 67.A N GLN 63.A O no hydrogen 2.997 N/A LEU 68.A N LYS 64.A O no hydrogen 3.070 N/A LYS 69.A N VAL 66.A O no hydrogen 2.858 N/A GLN 70.A N VAL 65.A O no hydrogen 2.877 N/A GLN 70.A NE2 LEU 68.A O no hydrogen 3.023 N/A HIS 73.A ND1 GLN 70.A OE1 no hydrogen 2.920 N/A THR 74.A N GLN 70.A O no hydrogen 2.987 N/A THR 74.A N ILE 71.A O no hydrogen 3.020 N/A THR 74.A OG1 GLN 70.A O no hydrogen 2.654 N/A LEU 75.A N ILE 71.A O no hydrogen 2.959 N/A ASN 76.A N GLU 72.A O no hydrogen 2.965 N/A GLU 77.A N HIS 73.A O no hydrogen 3.004 N/A LYS 78.A N THR 74.A O no hydrogen 3.227 N/A LYS 78.A NZ ALA 20.A O no hydrogen 3.042 N/A LYS 78.A NZ GLU 333.A O no hydrogen 3.548 N/A LYS 78.A NZ PHE 334.A OXT no hydrogen 2.691 N/A ARG 79.A N LEU 75.A O no hydrogen 3.002 N/A ARG 79.A NE TRP 16.A O no hydrogen 3.100 N/A ARG 79.A NH2 TRP 16.A O no hydrogen 3.091 N/A ILE 80.A N ASN 76.A O no hydrogen 2.938 N/A LEU 81.A N GLU 77.A O no hydrogen 3.017 N/A GLN 82.A N LYS 78.A O no hydrogen 2.889 N/A GLN 82.A NE2 LYS 15.A O no hydrogen 3.011 N/A GLN 82.A NE2 ARG 79.A O no hydrogen 2.789 N/A ALA 83.A N ILE 80.A O no hydrogen 2.800 N/A VAL 84.A N ILE 80.A O no hydrogen 2.999 N/A ASN 85.A N TYR 142.A OH no hydrogen 2.954 N/A LEU 89.A N PHE 86.A O no hydrogen 3.366 N/A VAL 90.A N VAL 168.A O no hydrogen 3.045 N/A GLU 93.A N VAL 105.A O no hydrogen 2.631 N/A PHE 94.A N VAL 105.A O no hydrogen 3.257 N/A SER 95.A N THR 23.A OG1 no hydrogen 2.984 N/A PHE 96.A N TYR 103.A O no hydrogen 3.205 N/A LYS 97.A NZ PHE 331.A O no hydrogen 3.217 N/A LYS 97.A NZ PHE 334.A O no hydrogen 3.074 N/A ASP 98.A N ASN 101.A O no hydrogen 2.995 N/A SER 100.A N ASP 98.A OD1 no hydrogen 2.979 N/A ASN 101.A N ASP 98.A OD1 no hydrogen 3.005 N/A ASN 101.A ND2 TYR 103.A OH no hydrogen 2.781 N/A LEU 102.A N LEU 60.A O no hydrogen 2.789 N/A TYR 103.A N PHE 96.A O no hydrogen 2.881 N/A TYR 103.A OH ASP 98.A OD2 no hydrogen 2.494 N/A MET 104.A N LYS 58.A O no hydrogen 3.018 N/A VAL 105.A N PHE 94.A O no hydrogen 2.900 N/A MET 106.A N ALA 56.A O no hydrogen 2.724 N/A GLU 107.A N LYS 91.A O no hydrogen 2.907 N/A TYR 108.A OH ASP 308.A O no hydrogen 2.610 N/A MET 114.A N LEU 158.A O no hydrogen 2.810 N/A PHE 115.A N PRO 155.A O no hydrogen 3.323 N/A HIS 117.A NE2 GLY 111.A O no hydrogen 2.768 N/A LEU 118.A N MET 114.A O no hydrogen 2.737 N/A ARG 119.A N PHE 115.A O no hydrogen 2.799 N/A ARG 119.A NH1 GLU 215.A OE2 no hydrogen 2.859 N/A ARG 119.A NH2 GLU 215.A OE2 no hydrogen 2.960 N/A ARG 120.A N.A SER 116.A O no hydrogen 3.001 N/A ARG 120.A N.B SER 116.A O no hydrogen 3.011 N/A ARG 120.A NH2.A HIS 117.A ND1 no hydrogen 2.908 N/A ILE 121.A N HIS 117.A O no hydrogen 2.971 N/A GLY 122.A N LEU 118.A O no hydrogen 2.789 N/A PHE 124.A N MET 216.A O no hydrogen 2.799 N/A HIS 128.A N SER 125.A OG no hydrogen 3.282 N/A HIS 128.A NE2 TYR 132.A OH no hydrogen 3.149 N/A ALA 129.A N SER 125.A O no hydrogen 2.870 N/A ARG 130.A N GLU 126.A O no hydrogen 2.755 N/A ARG 130.A NE TRP 281.A O no hydrogen 2.619 N/A PHE 131.A N PRO 127.A O no hydrogen 2.918 N/A TYR 132.A N HIS 128.A O no hydrogen 3.356 N/A TYR 132.A OH HIS 128.A NE2 no hydrogen 3.149 N/A ALA 133.A N ALA 129.A O no hydrogen 2.907 N/A ALA 134.A N ARG 130.A O no hydrogen 3.002 N/A GLN 135.A NE2 PHE 131.A O no hydrogen 3.291 N/A ILE 136.A N TYR 132.A O no hydrogen 3.223 N/A VAL 137.A N ALA 133.A O no hydrogen 2.856 N/A LEU 138.A N ALA 134.A O no hydrogen 3.010 N/A THR 139.A N GLN 135.A O no hydrogen 3.013 N/A THR 139.A OG1 GLN 135.A O no hydrogen 2.639 N/A PHE 140.A N ILE 136.A O no hydrogen 2.921 N/A GLU 141.A N VAL 137.A O no hydrogen 3.159 N/A TYR 142.A N LEU 138.A O no hydrogen 2.880 N/A LEU 143.A N THR 139.A O no hydrogen 2.920 N/A HIS 144.A N PHE 140.A O no hydrogen 2.727 N/A HIS 144.A NE2 ASP 205.A OD2 no hydrogen 2.851 N/A SER 145.A N GLU 141.A O no hydrogen 3.141 N/A SER 145.A OG TYR 142.A O no hydrogen 2.733 N/A LEU 146.A N LEU 143.A O no hydrogen 3.016 N/A ASP 147.A N HIS 144.A O no hydrogen 2.945 N/A LEU 148.A N LEU 143.A O no hydrogen 3.049 N/A ILE 149.A N LYS 175.A O no hydrogen 2.860 N/A TYR 150.A N ASP 205.A OD2 no hydrogen 2.929 N/A TYR 150.A OH THR 169.A O no hydrogen 2.867 N/A TYR 150.A OH ASP 170.A O no hydrogen 3.390 N/A ARG 151.A N ASP 205.A OD1 no hydrogen 2.888 N/A ARG 151.A NE PHE 173.A O no hydrogen 2.697 N/A ARG 151.A NH1 TYR 200.A OH no hydrogen 2.952 N/A ARG 151.A NH2 PHE 173.A O no hydrogen 2.905 N/A LYS 154.A NZ THR 186.A OG1 no hydrogen 2.753 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.905 N/A ASN 157.A N LYS 154.A O no hydrogen 3.046 N/A ASN 157.A ND2 ASP 152.A O no hydrogen 2.680 N/A ASN 157.A ND2 ASP 152.A OD2 no hydrogen 3.091 N/A LEU 158.A N PRO 155.A O no hydrogen 3.214 N/A LEU 159.A N GLN 167.A O no hydrogen 2.839 N/A ILE 160.A N GLY 112.A O no hydrogen 2.872 N/A ASP 161.A N TYR 165.A O no hydrogen 2.778 N/A GLY 164.A N ASP 161.A O no hydrogen 2.880 N/A TYR 165.A N ASP 161.A OD1 no hydrogen 2.908 N/A TYR 165.A OH VAL 295.A O no hydrogen 2.595 N/A ILE 166.A N GLN 135.A OE1 no hydrogen 2.843 N/A GLN 167.A N LEU 159.A O no hydrogen 2.656 N/A GLN 167.A NE2 PRO 87.A O no hydrogen 2.592 N/A VAL 168.A N PHE 88.A O no hydrogen 2.811 N/A THR 169.A N ASN 157.A O no hydrogen 2.951 N/A PHE 171.A N GLU 77.A OE2 no hydrogen 3.311 N/A GLY 172.A N ASP 170.A OD1 no hydrogen 3.015 N/A ALA 174.A N PHE 171.A O no hydrogen 3.003 N/A LYS 175.A N ILE 149.A O no hydrogen 2.927 N/A LYS 175.A NZ THR 181.A OG1 no hydrogen 3.331 N/A ARG 176.A NE LEU 146.A O no hydrogen 2.823 N/A ARG 176.A NH2 ASP 147.A OD2 no hydrogen 3.226 N/A VAL 177.A N ASP 147.A O no hydrogen 3.005 N/A THR 181.A N TYR 200.A O no hydrogen 3.037 N/A THR 186.A OG1 ASP 152.A OD1 no hydrogen 2.970 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.765 N/A TYR 189.A N THR 186.A O no hydrogen 2.665 N/A TYR 189.A OH GLU 215.A OE1 no hydrogen 2.569 N/A LEU 190.A N PRO 187.A O no hydrogen 3.316 N/A GLU 193.A N GLU 193.A OE2 no hydrogen 2.729 N/A ILE 194.A N ALA 191.A O no hydrogen 3.155 N/A ILE 195.A N ALA 191.A O no hydrogen 3.407 N/A LEU 196.A N PRO 192.A O no hydrogen 2.976 N/A SER 197.A N ILE 194.A O no hydrogen 3.059 N/A LYS 198.A N GLU 193.A O no hydrogen 2.986 N/A TYR 200.A N THR 181.A O no hydrogen 2.963 N/A ALA 203.A N ASN 201.A OD1 no hydrogen 3.314 N/A VAL 204.A N ASN 201.A O no hydrogen 3.103 N/A ASP 205.A N LYS 202.A O no hydrogen 2.913 N/A TRP 207.A N ALA 203.A O no hydrogen 3.179 N/A ALA 208.A N VAL 204.A O no hydrogen 2.972 N/A LEU 209.A N ASP 205.A O no hydrogen 2.921 N/A GLY 210.A N TRP 206.A O no hydrogen 3.219 N/A GLY 210.A N TRP 207.A O no hydrogen 2.887 N/A VAL 211.A N TRP 207.A O no hydrogen 3.122 N/A LEU 212.A N ALA 208.A O no hydrogen 2.832 N/A ILE 213.A N LEU 209.A O no hydrogen 2.886 N/A TYR 214.A N GLY 210.A O no hydrogen 3.055 N/A TYR 214.A OH ARG 241.A O no hydrogen 2.624 N/A GLU 215.A N VAL 211.A O no hydrogen 2.843 N/A MET 216.A N LEU 212.A O no hydrogen 2.834 N/A ALA 217.A N ILE 213.A O no hydrogen 3.136 N/A ALA 218.A N TYR 214.A O no hydrogen 2.762 N/A GLY 219.A N GLU 215.A O no hydrogen 2.983 N/A GLN 227.A N GLN 230.A OE1 no hydrogen 2.780 N/A ILE 231.A N GLN 227.A O no hydrogen 3.207 N/A TYR 232.A N PRO 228.A O no hydrogen 2.860 N/A GLU 233.A N ILE 229.A O no hydrogen 3.301 N/A LYS 234.A N GLN 230.A O no hydrogen 3.330 N/A ILE 235.A N ILE 231.A O no hydrogen 2.985 N/A VAL 236.A N TYR 232.A O no hydrogen 2.948 N/A SER 237.A N GLU 233.A O no hydrogen 2.987 N/A SER 237.A OG GLU 233.A O no hydrogen 3.568 N/A SER 237.A OG LYS 234.A O no hydrogen 2.793 N/A GLY 238.A N ILE 235.A O no hydrogen 3.071 N/A PHE 246.A N PRO 243.A O no hydrogen 2.845 N/A SER 247.A N GLU 126.A OE2 no hydrogen 2.809 N/A SER 247.A OG GLU 126.A OE1 no hydrogen 2.830 N/A LEU 250.A N SER 247.A OG no hydrogen 3.177 N/A LYS 251.A N SER 247.A O no hydrogen 3.088 N/A LYS 251.A NZ PHE 246.A O no hydrogen 2.708 N/A ASP 252.A N SER 248.A O no hydrogen 3.046 N/A LEU 253.A N ASP 249.A O no hydrogen 3.009 N/A LEU 254.A N LEU 250.A O no hydrogen 2.921 N/A ARG 255.A N LYS 251.A O no hydrogen 2.872 N/A ASN 256.A N ASP 252.A O no hydrogen 3.242 N/A ASN 256.A N LEU 253.A O no hydrogen 3.016 N/A LEU 257.A N LEU 253.A O no hydrogen 2.930 N/A LEU 258.A N LEU 254.A O no hydrogen 2.856 N/A ASP 261.A N GLN 259.A OE1 no hydrogen 3.044 N/A THR 263.A N ASP 261.A OD1 no hydrogen 2.976 N/A THR 263.A OG1 ASP 261.A OD1 no hydrogen 2.943 N/A LYS 264.A N ASP 261.A O no hydrogen 2.980 N/A ARG 265.A NE GLN 259.A O no hydrogen 2.625 N/A ARG 265.A NH1 GLU 193.A OE1 no hydrogen 3.083 N/A ARG 265.A NH1 ALA 203.A O no hydrogen 2.847 N/A ARG 265.A NH2 GLU 193.A OE2 no hydrogen 3.008 N/A ARG 265.A NH2 GLN 259.A O no hydrogen 2.961 N/A PHE 266.A N ASN 256.A O no hydrogen 2.932 N/A ASN 268.A N ARG 265.A O no hydrogen 2.996 N/A ASN 268.A ND2 LEU 262.A O no hydrogen 2.597 N/A GLY 272.A N LEU 269.A O no hydrogen 2.691 N/A ASN 274.A N ASP 271.A O no hydrogen 3.178 N/A ILE 276.A N VAL 273.A O no hydrogen 3.026 N/A LYS 277.A N VAL 273.A O no hydrogen 3.021 N/A LYS 277.A NZ GLU 141.A OE1 no hydrogen 2.628 N/A ASN 278.A N ASN 274.A O no hydrogen 2.714 N/A HIS 279.A N ILE 276.A O no hydrogen 3.067 N/A HIS 279.A NE2 ASP 252.A OD1 no hydrogen 2.735 N/A TRP 281.A N HIS 279.A ND1 no hydrogen 3.005 N/A TRP 281.A NE1 GLU 126.A OE1 no hydrogen 3.032 N/A PHE 282.A N HIS 279.A O no hydrogen 3.090 N/A ALA 283.A N LYS 280.A O no hydrogen 2.899 N/A THR 285.A N PHE 282.A O no hydrogen 2.686 N/A THR 285.A OG1 PHE 282.A O no hydrogen 3.313 N/A ILE 290.A N ASP 286.A O no hydrogen 2.986 N/A TYR 291.A N TRP 287.A O no hydrogen 3.078 N/A GLN 292.A N ILE 288.A O no hydrogen 2.967 N/A ARG 293.A N ILE 290.A O no hydrogen 2.966 N/A ARG 293.A NH1 ASP 161.A OD2 no hydrogen 2.973 N/A ARG 293.A NH1 GLN 163.A OE1 no hydrogen 3.177 N/A ARG 293.A NH2 PRO 87.A O no hydrogen 3.071 N/A LYS 294.A N ALA 289.A O no hydrogen 2.756 N/A LYS 304.A NZ SER 310.A OG no hydrogen 3.321 N/A ASP 308.A N GLY 305.A O no hydrogen 3.463 N/A SER 310.A N ASP 308.A OD2 no hydrogen 3.293 N/A SER 310.A OG ASP 308.A OD2 no hydrogen 2.728 N/A ASN 311.A ND2 PRO 110.A O no hydrogen 3.165 N/A ASN 311.A ND2 LYS 302.A O no hydrogen 3.244 N/A PHE 312.A N THR 309.A O no hydrogen 3.262 N/A LYS 326.A N ASN 99.A O no hydrogen 2.770 N/A LYS 329.A NZ GLU 330.A OE1 no hydrogen 3.154 N/A GLU 330.A N GLU 330.A OE1 no hydrogen 2.905 N/A SER 332.A N LYS 329.A O no hydrogen 3.403 N/A SER 332.A OG LYS 329.A O no hydrogen 3.353 N/A PHE 334.A N PHE 331.A O no hydrogen 2.888 N/A