Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nrw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLU 229.A O no hydrogen 2.773 N/A LYS 1.A NZ GLU 229.A OE1 no hydrogen 2.601 N/A LEU 2.A N GLU 229.A O no hydrogen 3.342 N/A ILE 3.A N GLU 35.A O no hydrogen 2.910 N/A ALA 4.A N ALA 231.A O no hydrogen 2.788 N/A ILE 5.A N VAL 37.A O no hydrogen 2.626 N/A ASP 6.A N VAL 233.A O no hydrogen 3.117 N/A THR 10.A N LEU 7.A O no hydrogen 3.294 N/A THR 10.A OG1 ASP 6.A OD2 no hydrogen 3.395 N/A THR 10.A OG1 ASP 235.A OD1 no hydrogen 3.031 N/A LEU 11.A N ASP 6.A O no hydrogen 3.129 N/A LEU 12.A N LEU 7.A O no hydrogen 2.980 N/A ASN 13.A N GLN 17.A O no hydrogen 3.080 N/A ASN 13.A ND2 GLN 17.A OE1 no hydrogen 2.977 N/A SER 14.A N ASP 269.A OD1 no hydrogen 2.670 N/A SER 14.A OG ASP 269.A OD1 no hydrogen 3.213 N/A SER 14.A OG ASP 269.A OD2 no hydrogen 2.842 N/A LYS 15.A N ASN 13.A OD1 no hydrogen 2.816 N/A HIS 16.A N.A ASN 13.A O no hydrogen 2.908 N/A HIS 16.A N.B ASN 13.A O no hydrogen 2.928 N/A HIS 16.A ND1.A GLN 143.A OE1 no hydrogen 2.796 N/A GLN 17.A N ASN 13.A OD1 no hydrogen 2.925 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.724 N/A ASN 22.A N SER 19.A OG no hydrogen 2.995 N/A ASN 22.A ND2 LEU 11.A O no hydrogen 3.055 N/A GLU 23.A N SER 19.A O no hydrogen 2.880 N/A ASN 24.A N LEU 20.A O no hydrogen 2.901 N/A ALA 25.A N GLU 21.A O no hydrogen 2.946 N/A LEU 26.A N ASN 22.A O no hydrogen 2.938 N/A ARG 27.A N GLU 23.A O no hydrogen 3.055 N/A ARG 27.A NE GLU 23.A OE2 no hydrogen 3.015 N/A ARG 27.A NH2 GLU 23.A OE2 no hydrogen 3.234 N/A GLN 28.A N ASN 24.A O no hydrogen 2.910 N/A GLN 28.A NE2 ASP 32.A OD1 no hydrogen 3.027 N/A GLN 28.A NE2 ASP 32.A OD2 no hydrogen 3.496 N/A ALA 29.A N ALA 25.A O no hydrogen 3.030 N/A GLN 30.A N LEU 26.A O no hydrogen 3.061 N/A GLN 30.A NE2 LYS 56.A O no hydrogen 2.766 N/A ARG 31.A N ARG 27.A O no hydrogen 2.859 N/A ARG 31.A NH1 GLN 28.A OE1 no hydrogen 2.749 N/A ASP 32.A N GLN 28.A O no hydrogen 2.834 N/A GLY 33.A N GLN 30.A O no hydrogen 3.034 N/A ILE 34.A N ALA 29.A O no hydrogen 2.947 N/A GLU 35.A N LYS 1.A O no hydrogen 2.858 N/A VAL 37.A N ILE 3.A O no hydrogen 2.908 N/A VAL 38.A N TRP 58.A O no hydrogen 2.928 N/A SER 39.A N ILE 5.A O no hydrogen 2.866 N/A THR 40.A N ILE 60.A O no hydrogen 2.819 N/A ARG 42.A N THR 40.A OG1 no hydrogen 2.972 N/A ARG 42.A NE ASP 8.A OD2 no hydrogen 2.743 N/A ARG 42.A NH1 GLU 120.A OE1.B no hydrogen 3.187 N/A ARG 42.A NH1 GLU 120.A OE2.A no hydrogen 2.776 N/A ARG 42.A NH2 ASP 8.A OD1 no hydrogen 2.928 N/A ARG 42.A NH2 GLU 120.A OE2.A no hydrogen 3.014 N/A ARG 42.A NH2 GLU 120.A OE2.B no hydrogen 2.722 N/A ALA 43.A N ASP 46.A OD2 no hydrogen 3.091 N/A ASP 46.A N ALA 43.A O no hydrogen 2.913 N/A VAL 47.A N ALA 43.A O no hydrogen 3.319 N/A SER 48.A OG PHE 45.A O.A no hydrogen 2.921 N/A SER 48.A OG PHE 45.A O.B no hydrogen 2.957 N/A ILE 49.A N VAL 47.A O no hydrogen 3.046 N/A PHE 50.A N VAL 47.A O no hydrogen 2.916 N/A LEU 53.A N PHE 50.A O no hydrogen 2.978 N/A GLY 54.A N GLU 51.A O no hydrogen 3.070 N/A ILE 55.A N PHE 50.A O no hydrogen 3.134 N/A LYS 56.A NZ GLU 71.A OE1 no hydrogen 3.063 N/A LYS 56.A NZ GLU 71.A OE2 no hydrogen 3.102 N/A THR 57.A OG1 TRP 58.A O no hydrogen 2.846 N/A TRP 58.A N VAL 36.A O no hydrogen 2.987 N/A TRP 58.A NE1 GLU 35.A OE1 no hydrogen 2.841 N/A VAL 59.A N HIS 68.A O no hydrogen 2.896 N/A ILE 60.A N VAL 38.A O no hydrogen 2.785 N/A SER 61.A N VAL 66.A O no hydrogen 2.822 N/A ALA 62.A N ARG 42.A O no hydrogen 2.830 N/A ASN 63.A N THR 40.A O no hydrogen 3.056 N/A ASN 63.A ND2 SER 206.A OG no hydrogen 2.954 N/A GLY 64.A N SER 61.A O no hydrogen 3.076 N/A ALA 65.A N ALA 62.A O no hydrogen 3.202 N/A VAL 66.A N SER 61.A O no hydrogen 3.124 N/A ILE 67.A N HIS 76.A O no hydrogen 3.045 N/A HIS 68.A N VAL 59.A O no hydrogen 2.913 N/A ASP 69.A N ARG 73.A O no hydrogen 2.874 N/A GLY 72.A N ASP 69.A O no hydrogen 2.906 N/A ARG 73.A N ASP 69.A OD1 no hydrogen 2.835 N/A ARG 73.A NH1 ASP 69.A OD2 no hydrogen 2.774 N/A TYR 75.A N ILE 67.A O no hydrogen 2.785 N/A HIS 76.A N ILE 67.A O no hydrogen 3.333 N/A HIS 76.A NE2 GLU 78.A OE1 no hydrogen 2.886 N/A GLU 78.A N ALA 65.A O no hydrogen 2.707 N/A ILE 80.A N PHE 167.A O no hydrogen 2.862 N/A LYS 82.A NZ ILE 165.A O no hydrogen 3.337 N/A LYS 83.A N ASP 81.A OD1 no hydrogen 2.695 N/A ARG 84.A N ASP 81.A OD1 no hydrogen 3.300 N/A ARG 84.A NE ASP 192.A OD2 no hydrogen 2.773 N/A ARG 84.A NH2 ASP 192.A OD1 no hydrogen 2.849 N/A ARG 84.A NH2 ASP 192.A OD2 no hydrogen 3.437 N/A ALA 85.A N ASP 81.A O no hydrogen 2.833 N/A TYR 86.A N LYS 82.A O no hydrogen 2.874 N/A ASP 87.A N LYS 83.A O no hydrogen 3.041 N/A ILE 88.A N ARG 84.A O no hydrogen 2.923 N/A LEU 89.A N ALA 85.A O no hydrogen 2.928 N/A SER 90.A N TYR 86.A O no hydrogen 2.898 N/A SER 90.A OG TYR 86.A O no hydrogen 3.081 N/A SER 90.A OG ASP 87.A O no hydrogen 2.690 N/A TRP 91.A N ASP 87.A O no hydrogen 3.130 N/A LEU 92.A N ILE 88.A O no hydrogen 2.904 N/A GLU 93.A N LEU 89.A O no hydrogen 2.942 N/A SER 94.A N SER 90.A O no hydrogen 2.970 N/A SER 94.A OG SER 90.A O no hydrogen 3.038 N/A SER 94.A OG TRP 91.A O no hydrogen 3.032 N/A GLU 95.A N TRP 91.A O no hydrogen 2.903 N/A ASN 96.A N GLU 93.A O no hydrogen 3.245 N/A TYR 97.A N LEU 92.A O no hydrogen 2.966 N/A TYR 97.A OH LYS 179.A O no hydrogen 2.574 N/A TYR 98.A N PHE 173.A O no hydrogen 2.962 N/A TYR 99.A OH GLU 93.A OE1 no hydrogen 2.494 N/A GLU 100.A N LEU 171.A O no hydrogen 3.012 N/A VAL 101.A N TYR 108.A O no hydrogen 2.782 N/A PHE 102.A N ASN 169.A O no hydrogen 2.862 N/A THR 103.A N ALA 106.A O no hydrogen 3.131 N/A THR 103.A OG1 SER 105.A OG no hydrogen 3.333 N/A THR 103.A OG1 ALA 106.A O no hydrogen 2.671 N/A SER 105.A OG THR 103.A OG1 no hydrogen 3.333 N/A SER 105.A OG TYR 108.A OH no hydrogen 3.129 N/A ALA 106.A N THR 103.A OG1 no hydrogen 3.261 N/A ILE 107.A N GLY 148.A O no hydrogen 3.396 N/A TYR 108.A N VAL 101.A O no hydrogen 2.907 N/A TYR 108.A OH SER 105.A OG no hydrogen 3.129 N/A THR 109.A N ALA 150.A O no hydrogen 3.009 N/A THR 109.A OG1 TYR 99.A O no hydrogen 2.778 N/A GLN 111.A N THR 109.A OG1 no hydrogen 3.161 N/A GLN 111.A NE2 TYR 99.A O no hydrogen 3.271 N/A ASN 112.A N GLU 115.A OE1 no hydrogen 2.886 N/A GLU 115.A N ASN 112.A OD1 no hydrogen 2.943 N/A LEU 116.A N ASN 112.A O no hydrogen 2.933 N/A LEU 117.A N GLY 113.A O no hydrogen 2.886 N/A ASP 118.A N ARG 114.A O no hydrogen 2.984 N/A VAL 119.A N GLU 115.A O no hydrogen 3.161 N/A GLU 120.A N.A LEU 116.A O no hydrogen 3.102 N/A GLU 120.A N.B LEU 116.A O no hydrogen 3.080 N/A LEU 121.A N LEU 117.A O no hydrogen 2.732 N/A ASP 122.A N ASP 118.A O no hydrogen 3.051 N/A ARG 123.A N VAL 119.A O no hydrogen 3.281 N/A ARG 123.A NE GLU 120.A OE1.A no hydrogen 3.044 N/A PHE 124.A N GLU 120.A O.A no hydrogen 3.085 N/A PHE 124.A N GLU 120.A O.B no hydrogen 3.142 N/A ARG 125.A N LEU 121.A O no hydrogen 2.878 N/A SER 126.A N ASP 122.A O no hydrogen 2.947 N/A SER 126.A OG ASP 122.A O no hydrogen 2.737 N/A SER 126.A OG ASP 122.A OD1 no hydrogen 3.467 N/A ALA 127.A N ARG 123.A O no hydrogen 3.144 N/A ASN 128.A N PHE 124.A O no hydrogen 3.033 N/A ASN 128.A ND2 GLU 130.A OE1 no hydrogen 2.913 N/A ASN 128.A ND2 ASN 268.A OD1 no hydrogen 2.815 N/A GLU 130.A N GLU 130.A OE2 no hydrogen 2.528 N/A ALA 131.A N ASN 128.A O no hydrogen 3.019 N/A SER 134.A N ASP 132.A OD1 no hydrogen 2.679 N/A SER 134.A OG ASP 132.A OD1 no hydrogen 2.445 N/A LEU 136.A N ASP 132.A O no hydrogen 3.092 N/A LYS 137.A N LEU 133.A O no hydrogen 2.908 N/A LYS 137.A NZ GLU 141.A OE2 no hydrogen 2.667 N/A GLN 138.A N SER 134.A O no hydrogen 3.060 N/A ALA 139.A N VAL 135.A O no hydrogen 3.137 N/A ALA 140.A N LEU 136.A O no hydrogen 2.810 N/A GLU 141.A N LYS 137.A O no hydrogen 2.912 N/A VAL 142.A N GLN 138.A O no hydrogen 3.170 N/A GLN 143.A N ALA 139.A O no hydrogen 2.907 N/A TYR 144.A N ALA 140.A O no hydrogen 2.927 N/A SER 145.A N GLU 141.A O no hydrogen 2.919 N/A SER 145.A OG VAL 142.A O no hydrogen 2.462 N/A GLN 146.A N GLN 143.A O no hydrogen 3.085 N/A GLN 146.A NE2 SER 145.A OG no hydrogen 3.252 N/A SER 147.A N TYR 144.A O no hydrogen 2.881 N/A SER 147.A OG TYR 144.A O no hydrogen 2.510 N/A ALA 150.A N ILE 107.A O no hydrogen 2.905 N/A TYR 151.A OH ASN 153.A OD1 no hydrogen 2.760 N/A ILE 152.A N THR 109.A O no hydrogen 3.147 N/A ASN 153.A N GLU 157.A OE2 no hydrogen 2.505 N/A SER 154.A N GLU 157.A OE2 no hydrogen 2.983 N/A SER 154.A OG GLU 93.A OE2 no hydrogen 2.705 N/A PHE 155.A N GLU 93.A OE1 no hydrogen 2.950 N/A GLN 156.A N SER 154.A OG no hydrogen 3.356 N/A GLN 156.A NE2 TYR 86.A OH no hydrogen 2.521 N/A GLU 157.A N SER 154.A O no hydrogen 3.030 N/A LEU 158.A N PHE 155.A O no hydrogen 2.896 N/A PHE 159.A N GLN 156.A O no hydrogen 2.966 N/A GLU 160.A N GLN 156.A O no hydrogen 3.124 N/A TYR 168.A N PHE 102.A O no hydrogen 2.949 N/A ASN 169.A N PHE 102.A O no hydrogen 3.477 N/A ASN 169.A ND2 GLY 41.A O no hydrogen 3.277 N/A ASN 169.A ND2 GLU 204.A OE1 no hydrogen 2.932 N/A ILE 170.A N LEU 205.A O no hydrogen 2.860 N/A LEU 171.A N GLU 100.A O no hydrogen 2.958 N/A GLY 172.A N PHE 203.A O no hydrogen 2.847 N/A PHE 173.A N TYR 98.A O no hydrogen 2.873 N/A SER 174.A N HIS 201.A O no hydrogen 3.116 N/A PHE 176.A N SER 174.A OG no hydrogen 3.267 N/A LYS 179.A NZ GLU 95.A O no hydrogen 2.672 N/A LEU 180.A N PHE 176.A O no hydrogen 3.036 N/A GLU 181.A N LYS 177.A O no hydrogen 2.925 N/A ALA 182.A N GLU 178.A O no hydrogen 3.063 N/A GLY 183.A N LYS 179.A O no hydrogen 3.003 N/A TRP 184.A N LEU 180.A O no hydrogen 3.075 N/A LYS 185.A N GLU 181.A O no hydrogen 2.897 N/A ARG 186.A N ALA 182.A O no hydrogen 3.087 N/A ARG 186.A NE TYR 187.A OH no hydrogen 3.136 N/A TYR 187.A N GLY 183.A O no hydrogen 3.357 N/A TYR 187.A N TRP 184.A O no hydrogen 3.326 N/A GLU 188.A N TRP 184.A O no hydrogen 2.830 N/A ALA 190.A N TYR 187.A O no hydrogen 3.061 N/A LEU 193.A N ALA 190.A O no hydrogen 3.261 N/A THR 194.A N SER 206.A O no hydrogen 2.811 N/A THR 194.A OG1 SER 207.A O no hydrogen 2.912 N/A THR 194.A OG1 ALA 210.A O no hydrogen 3.313 N/A VAL 196.A N GLU 204.A O no hydrogen 3.048 N/A SER 197.A OG ASN 202.A O no hydrogen 2.766 N/A SER 197.A OG ASN 202.A OD1 no hydrogen 3.415 N/A SER 198.A N ASN 202.A OD1 no hydrogen 2.964 N/A SER 198.A OG GLU 204.A OE2 no hydrogen 2.652 N/A GLU 200.A N SER 126.A OG no hydrogen 2.879 N/A HIS 201.A N ASP 122.A OD2 no hydrogen 2.836 N/A HIS 201.A ND1 ASP 122.A OD1 no hydrogen 2.791 N/A ASN 202.A N ALA 199.A O no hydrogen 3.126 N/A ASN 202.A ND2 SER 198.A OG no hydrogen 2.967 N/A PHE 203.A N GLY 172.A O no hydrogen 3.005 N/A GLU 204.A N VAL 196.A O no hydrogen 2.683 N/A LEU 205.A N ILE 170.A O no hydrogen 2.793 N/A SER 206.A N THR 194.A O no hydrogen 3.133 N/A SER 206.A OG ALA 210.A O no hydrogen 2.682 N/A SER 207.A OG THR 79.A O no hydrogen 3.432 N/A ARG 208.A N ASP 192.A O no hydrogen 3.071 N/A ARG 208.A NH1 GLU 191.A O no hydrogen 2.739 N/A ALA 210.A N SER 207.A O no hydrogen 2.828 N/A SER 211.A OG GLN 214.A OE1 no hydrogen 3.109 N/A LYS 212.A NZ SER 39.A O no hydrogen 3.105 N/A LYS 212.A NZ ASP 239.A OD1 no hydrogen 2.844 N/A GLY 213.A N SER 241.A OG no hydrogen 2.962 N/A GLN 214.A N SER 211.A OG no hydrogen 3.065 N/A ALA 215.A N SER 211.A O no hydrogen 2.992 N/A LEU 216.A N LYS 212.A O no hydrogen 3.056 N/A LYS 217.A N GLY 213.A O no hydrogen 3.042 N/A ARG 218.A N GLN 214.A O no hydrogen 2.894 N/A ARG 218.A NH2 LYS 209.A O no hydrogen 3.467 N/A LEU 219.A N ALA 215.A O no hydrogen 2.990 N/A ALA 220.A N LEU 216.A O no hydrogen 2.897 N/A LYS 221.A N LYS 217.A O no hydrogen 2.979 N/A GLN 222.A N ARG 218.A O no hydrogen 3.256 N/A GLN 222.A NE2 ARG 218.A O no hydrogen 3.383 N/A LEU 223.A N LEU 219.A O no hydrogen 2.983 N/A ASN 224.A N LYS 221.A O no hydrogen 3.091 N/A ILE 225.A N ALA 220.A O no hydrogen 2.886 N/A GLU 229.A N PRO 226.A O no hydrogen 2.843 N/A THR 230.A N LEU 227.A O no hydrogen 3.039 N/A THR 230.A OG1 LEU 227.A O no hydrogen 2.681 N/A ALA 231.A N LEU 2.A O no hydrogen 3.008 N/A ALA 232.A N LYS 247.A O no hydrogen 3.004 N/A VAL 233.A N ALA 4.A O no hydrogen 2.986 N/A GLY 234.A N VAL 249.A O no hydrogen 3.129 N/A ASP 235.A N ASP 239.A OD2 no hydrogen 3.104 N/A SER 236.A N ASP 239.A OD2 no hydrogen 3.240 N/A SER 236.A OG ASP 6.A OD2 no hydrogen 3.416 N/A SER 236.A OG ASP 235.A OD1 no hydrogen 3.558 N/A SER 236.A OG ASN 238.A OD1 no hydrogen 2.633 N/A SER 236.A OG ASP 239.A OD2 no hydrogen 3.226 N/A ASP 239.A N SER 236.A O no hydrogen 2.905 N/A LYS 240.A N LEU 237.A O no hydrogen 3.164 N/A LYS 240.A NZ GLU 243.A OE2 no hydrogen 3.229 N/A GLU 243.A N LYS 240.A O no hydrogen 2.998 N/A ALA 244.A N SER 241.A O no hydrogen 2.958 N/A GLY 246.A N THR 230.A OG1 no hydrogen 3.311 N/A LYS 247.A N THR 230.A O no hydrogen 3.097 N/A LYS 247.A NZ LEU 278.A O no hydrogen 2.834 N/A GLY 248.A N ASP 262.A OD2 no hydrogen 2.770 N/A VAL 249.A N ALA 232.A O no hydrogen 2.716 N/A ALA 250.A N ALA 263.A O no hydrogen 2.937 N/A ASN 252.A ND2 GLY 9.A O no hydrogen 3.025 N/A ASN 252.A ND2 ALA 127.A O no hydrogen 3.028 N/A ARG 254.A N ASP 235.A O no hydrogen 2.946 N/A ARG 254.A NE ASP 256.A OD1 no hydrogen 3.225 N/A ARG 254.A NH2 ASP 256.A OD2 no hydrogen 2.570 N/A ILE 257.A N ARG 254.A O no hydrogen 3.098 N/A LYS 258.A N ARG 254.A O no hydrogen 3.061 N/A LYS 258.A NZ GLY 251.A O no hydrogen 2.836 N/A SER 259.A N GLU 255.A O no hydrogen 2.933 N/A ILE 260.A N ASP 256.A O no hydrogen 3.395 N/A ALA 261.A N ILE 257.A O no hydrogen 3.252 N/A ALA 261.A N LYS 258.A O no hydrogen 3.266 N/A ASP 262.A N GLY 248.A O no hydrogen 2.781 N/A ALA 263.A N GLY 248.A O no hydrogen 3.285 N/A THR 265.A N ALA 250.A O no hydrogen 2.929 N/A THR 265.A OG1 GLY 272.A O no hydrogen 2.786 N/A THR 265.A OG1 HIS 275.A ND1 no hydrogen 2.801 N/A LEU 266.A N THR 265.A OG1 no hydrogen 2.704 N/A THR 267.A OG1 GLU 270.A OE2.B no hydrogen 3.330 N/A ASN 268.A N ASN 252.A OD1 no hydrogen 2.916 N/A ASN 268.A ND2 LEU 12.A O no hydrogen 2.979 N/A ASN 268.A ND2 ASN 128.A OD1 no hydrogen 2.943 N/A GLU 270.A N.A THR 267.A O no hydrogen 3.041 N/A GLU 270.A N.A THR 267.A OG1 no hydrogen 3.210 N/A GLU 270.A N.B THR 267.A O no hydrogen 3.036 N/A GLU 270.A N.B THR 267.A OG1 no hydrogen 3.212 N/A HIS 271.A N ASN 268.A O no hydrogen 3.090 N/A GLY 272.A N THR 267.A O no hydrogen 2.978 N/A ALA 274.A N ASN 22.A OD1 no hydrogen 3.092 N/A HIS 275.A N HIS 271.A O no hydrogen 2.945 N/A HIS 275.A ND1 THR 265.A OG1 no hydrogen 2.801 N/A HIS 277.A N HIS 275.A O no hydrogen 2.672 N/A