Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ngl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 245.A O no hydrogen 2.955 N/A ARG 4.A N ILE 2.A O no hydrogen 3.085 N/A GLY 5.A N GLY 250.A O no hydrogen 2.889 N/A ALA 9.A N GLY 5.A O no hydrogen 2.966 N/A GLU 10.A N GLU 6.A O no hydrogen 3.143 N/A LYS 11.A N GLU 7.A O no hydrogen 3.235 N/A LYS 12.A N ILE 8.A O no hydrogen 3.123 N/A LYS 12.A NZ ASP 140.A OD1 no hydrogen 3.476 N/A LYS 12.A NZ ASP 140.A OD2 no hydrogen 2.862 N/A LYS 12.A NZ ASN 259.A OD1 no hydrogen 2.332 N/A LYS 12.A NZ GLU 262.A OE1 no hydrogen 2.797 N/A ALA 13.A N ALA 9.A O no hydrogen 2.845 N/A GLU 14.A N GLU 10.A O no hydrogen 2.801 N/A ASN 15.A N LYS 11.A O no hydrogen 2.790 N/A LEU 16.A N LYS 12.A O no hydrogen 2.812 N/A HIS 17.A N ALA 13.A O no hydrogen 2.830 N/A GLY 18.A N GLU 14.A O no hydrogen 2.844 N/A ILE 19.A N ASN 15.A O no hydrogen 3.122 N/A ILE 20.A N LEU 16.A O no hydrogen 3.100 N/A GLU 21.A N HIS 17.A O no hydrogen 3.303 N/A ARG 22.A N GLY 18.A O no hydrogen 3.270 N/A GLY 24.A N ILE 20.A O no hydrogen 3.004 N/A SER 28.A N ASN 85.A OD1 no hydrogen 3.046 N/A SER 28.A OG GLN 83.A O no hydrogen 3.102 N/A LEU 29.A N ALA 57.A O no hydrogen 2.611 N/A LYS 30.A N GLY 86.A O no hydrogen 2.972 N/A LYS 30.A NZ ASP 59.A OD2 no hydrogen 2.494 N/A LYS 30.A NZ GLU 61.A OE1 no hydrogen 2.931 N/A LEU 31.A N ASP 59.A O no hydrogen 2.745 N/A ILE 32.A N MET 88.A O no hydrogen 3.065 N/A GLN 33.A N GLU 61.A O no hydrogen 2.928 N/A GLN 33.A NE2 ASN 37.A O no hydrogen 3.309 N/A GLN 33.A NE2 SER 41.A OG no hydrogen 3.188 N/A GLY 35.A N TYR 63.A O no hydrogen 3.127 N/A SER 41.A N ASN 37.A O no hydrogen 3.008 N/A SER 41.A OG GLN 33.A OE1 no hydrogen 3.550 N/A SER 41.A OG ASN 37.A O no hydrogen 2.771 N/A ILE 42.A N GLU 38.A O no hydrogen 3.110 N/A TYR 43.A N ALA 39.A O no hydrogen 3.039 N/A ALA 44.A N ALA 40.A O no hydrogen 2.693 N/A ARG 45.A N SER 41.A O no hydrogen 2.958 N/A ALA 46.A N ILE 42.A O no hydrogen 3.008 N/A LYS 47.A N TYR 43.A O no hydrogen 3.167 N/A LYS 47.A NZ GLU 90.A OE1 no hydrogen 2.495 N/A LYS 47.A NZ GLU 90.A OE2 no hydrogen 3.220 N/A ILE 48.A N ALA 44.A O no hydrogen 2.963 N/A ARG 49.A N ARG 45.A O no hydrogen 2.844 N/A ARG 50.A N ALA 46.A O no hydrogen 2.877 N/A ARG 50.A NH1 THR 258.A OG1 no hydrogen 2.833 N/A GLY 51.A N LYS 47.A O no hydrogen 2.916 N/A LYS 52.A N ILE 48.A O no hydrogen 2.886 N/A LYS 53.A N ARG 49.A O no hydrogen 3.123 N/A ILE 54.A N ARG 50.A O no hydrogen 2.938 N/A GLY 55.A N GLY 51.A O no hydrogen 2.681 N/A ILE 56.A N GLY 51.A O no hydrogen 2.884 N/A ALA 57.A N PRO 27.A O no hydrogen 2.892 N/A ASP 59.A N LEU 29.A O no hydrogen 2.766 N/A GLU 61.A N LEU 31.A O no hydrogen 2.755 N/A LYS 62.A NZ ASP 36.A OD2 no hydrogen 2.933 N/A TYR 63.A N GLN 33.A O no hydrogen 2.878 N/A TYR 63.A OH GLU 61.A OE2 no hydrogen 2.513 N/A ASP 70.A N SER 67.A OG no hydrogen 2.831 N/A LEU 71.A N SER 67.A O no hydrogen 3.144 N/A LEU 71.A N MET 68.A O no hydrogen 3.046 N/A LEU 72.A N MET 68.A O no hydrogen 2.763 N/A LYS 73.A N LYS 69.A O no hydrogen 3.015 N/A LYS 73.A NZ ASP 77.A OD1 no hydrogen 2.986 N/A LYS 73.A NZ ASP 77.A OD2 no hydrogen 3.281 N/A ARG 74.A N ASP 70.A O no hydrogen 2.912 N/A ARG 74.A NE GLU 61.A OE1 no hydrogen 3.152 N/A ARG 74.A NE GLU 61.A OE2 no hydrogen 2.993 N/A ARG 74.A NH2 GLU 61.A OE1 no hydrogen 2.383 N/A ILE 75.A N LEU 71.A O no hydrogen 3.053 N/A ASP 76.A N LEU 72.A O no hydrogen 2.972 N/A ASP 77.A N LYS 73.A O no hydrogen 2.828 N/A LEU 78.A N ARG 74.A O no hydrogen 3.051 N/A ALA 79.A N ILE 75.A O no hydrogen 2.680 N/A LYS 80.A N ASP 76.A O no hydrogen 3.160 N/A LYS 80.A NZ ASP 76.A OD2 no hydrogen 3.480 N/A ASP 81.A N ASP 77.A O no hydrogen 3.175 N/A GLN 83.A N ASP 81.A OD1 no hydrogen 2.858 N/A ILE 84.A N ASP 81.A O no hydrogen 2.992 N/A ASN 85.A ND2 GLN 271.A OE1 no hydrogen 2.611 N/A GLY 86.A N SER 28.A O no hydrogen 2.939 N/A ILE 87.A N LYS 110.A O no hydrogen 2.947 N/A MET 88.A N LYS 30.A O no hydrogen 3.084 N/A GLU 90.A N ILE 32.A O no hydrogen 2.965 N/A PHE 97.A N PRO 94.A O no hydrogen 3.326 N/A TYR 100.A N ASP 98.A OD1 no hydrogen 2.972 N/A ILE 102.A N ASP 98.A O no hydrogen 3.247 N/A VAL 103.A N TYR 99.A O no hydrogen 2.900 N/A ARG 104.A N GLU 101.A O no hydrogen 3.185 N/A ARG 104.A NH2 SER 116.A OG no hydrogen 2.988 N/A ASN 105.A N ILE 102.A O no hydrogen 3.355 N/A LYS 110.A N PRO 107.A O no hydrogen 2.676 N/A LYS 110.A NZ LEU 78.A O no hydrogen 3.134 N/A LYS 110.A NZ ALA 79.A O no hydrogen 2.857 N/A LYS 110.A NZ ILE 84.A O no hydrogen 2.743 N/A ASP 111.A N TYR 108.A O no hydrogen 3.121 N/A ALA 114.A N ASP 111.A O no hydrogen 2.836 N/A SER 116.A N ASP 111.A OD2 no hydrogen 2.954 N/A SER 116.A OG ASP 111.A OD2 no hydrogen 2.295 N/A ASN 119.A ND2 TYR 108.A O no hydrogen 3.085 N/A ASN 119.A ND2 ASP 111.A OD2 no hydrogen 2.922 N/A GLN 120.A N SER 116.A O no hydrogen 3.097 N/A GLY 121.A N PRO 117.A O no hydrogen 2.836 N/A LEU 122.A N TYR 118.A O no hydrogen 3.021 N/A ILE 123.A N ASN 119.A O no hydrogen 3.154 N/A ALA 124.A N GLN 120.A O no hydrogen 3.031 N/A LEU 125.A N GLY 121.A O no hydrogen 2.995 N/A ASN 126.A N ILE 123.A O no hydrogen 2.854 N/A ARG 127.A N LEU 122.A O no hydrogen 2.773 N/A VAL 131.A N ASN 263.A OD1 no hydrogen 3.298 N/A ARG 136.A N PRO 132.A O no hydrogen 3.096 N/A ALA 137.A N ALA 133.A O no hydrogen 2.976 N/A VAL 138.A N THR 134.A O no hydrogen 3.028 N/A VAL 138.A N PRO 135.A O no hydrogen 3.108 N/A ILE 139.A N PRO 135.A O no hydrogen 3.266 N/A ASP 140.A N ARG 136.A O no hydrogen 2.932 N/A ILE 141.A N ALA 137.A O no hydrogen 3.326 N/A MET 142.A N VAL 138.A O no hydrogen 3.244 N/A ASP 143.A N ILE 139.A O no hydrogen 2.776 N/A TYR 144.A N ASP 140.A O no hydrogen 2.858 N/A TYR 145.A N ILE 141.A O no hydrogen 2.951 N/A TYR 145.A OH ARG 4.A O no hydrogen 2.643 N/A GLY 146.A N MET 142.A O no hydrogen 2.909 N/A TYR 147.A N MET 142.A O no hydrogen 2.978 N/A TYR 147.A OH GLU 243.A OE2 no hydrogen 2.663 N/A VAL 152.A N THR 175.A O no hydrogen 2.713 N/A THR 153.A N ILE 195.A O no hydrogen 3.050 N/A THR 153.A OG1 MET 189.A O no hydrogen 3.108 N/A THR 153.A OG1 SER 193.A OG no hydrogen 2.587 N/A ILE 154.A N SER 177.A O no hydrogen 2.775 N/A VAL 155.A N VAL 197.A O no hydrogen 2.887 N/A ASN 156.A N CYS 179.A O no hydrogen 2.862 N/A ASN 156.A ND2 ALA 199.A O no hydrogen 2.875 N/A SER 158.A N ASN 156.A OD1 no hydrogen 2.736 N/A VAL 160.A N SER 158.A OG no hydrogen 3.132 N/A VAL 161.A N SER 158.A O no hydrogen 3.348 N/A VAL 161.A N SER 158.A OG no hydrogen 3.124 N/A GLY 162.A N ASN 156.A OD1 no hydrogen 2.905 N/A ARG 163.A N SER 158.A O no hydrogen 3.171 N/A ARG 163.A NE ARG 157.A O no hydrogen 2.722 N/A LEU 165.A N VAL 161.A O no hydrogen 3.028 N/A SER 166.A N GLY 162.A O no hydrogen 2.906 N/A SER 166.A OG ARG 163.A O no hydrogen 2.947 N/A MET 167.A N ARG 163.A O no hydrogen 3.215 N/A MET 168.A N PRO 164.A O no hydrogen 2.746 N/A LEU 169.A N LEU 165.A O no hydrogen 2.845 N/A LEU 170.A N SER 166.A O no hydrogen 3.081 N/A ASN 171.A N MET 167.A O no hydrogen 3.113 N/A ASN 171.A ND2 ILE 123.A O no hydrogen 3.095 N/A ASN 171.A ND2 GLU 128.A OE2 no hydrogen 2.587 N/A ARG 172.A N LEU 169.A O no hydrogen 3.114 N/A ARG 172.A NH1 GLU 128.A OE1 no hydrogen 3.334 N/A ARG 172.A NH1 GLU 128.A OE2 no hydrogen 2.817 N/A ARG 172.A NH1 MET 168.A O no hydrogen 2.949 N/A ARG 172.A NH2 GLU 128.A OE1 no hydrogen 2.809 N/A ASN 173.A N LEU 170.A O no hydrogen 3.298 N/A TYR 174.A N LEU 169.A O no hydrogen 2.933 N/A TYR 174.A OH TYR 147.A O no hydrogen 2.546 N/A THR 175.A N ASN 150.A O no hydrogen 2.880 N/A SER 177.A N VAL 152.A O no hydrogen 2.807 N/A CYS 179.A N ILE 154.A O no hydrogen 2.791 N/A CYS 179.A SG ILE 154.A O no hydrogen 3.963 N/A HIS 180.A N THR 183.A OG1 no hydrogen 3.248 N/A LYS 182.A N HIS 180.A ND1 no hydrogen 3.318 N/A THR 183.A N HIS 180.A O no hydrogen 2.917 N/A THR 183.A OG1 HIS 180.A O no hydrogen 3.309 N/A SER 188.A OG ASP 185.A OD2 no hydrogen 3.151 N/A MET 189.A N ILE 186.A O no hydrogen 2.677 N/A THR 190.A N ILE 186.A O no hydrogen 2.997 N/A THR 190.A OG1 GLY 187.A O no hydrogen 3.362 N/A THR 190.A OG1 MET 210.A O no hydrogen 2.460 N/A ARG 191.A N GLY 187.A O no hydrogen 3.042 N/A ARG 191.A NH1 GLU 209.A O no hydrogen 2.836 N/A SER 192.A N MET 189.A O no hydrogen 3.276 N/A SER 192.A OG SER 188.A O no hydrogen 3.289 N/A SER 192.A OG MET 189.A O no hydrogen 2.703 N/A SER 193.A OG THR 153.A OG1 no hydrogen 2.587 N/A LYS 194.A N THR 151.A OG1 no hydrogen 2.709 N/A LYS 194.A NZ GLY 214.A O no hydrogen 2.812 N/A LYS 194.A NZ GLU 243.A OE1 no hydrogen 2.548 N/A ILE 195.A N THR 151.A O no hydrogen 3.031 N/A VAL 196.A N VAL 216.A O no hydrogen 2.813 N/A VAL 197.A N THR 153.A O no hydrogen 2.962 N/A VAL 198.A N ILE 218.A O no hydrogen 2.992 N/A ALA 199.A N VAL 155.A O no hydrogen 3.035 N/A VAL 200.A N ASP 232.A OD2 no hydrogen 2.679 N/A GLY 201.A N ASP 232.A OD2 no hydrogen 3.173 N/A ARG 202.A N ASP 232.A OD1 no hydrogen 3.046 N/A PHE 205.A N ARG 202.A O no hydrogen 3.299 N/A LEU 206.A N ASP 232.A O no hydrogen 2.907 N/A ASN 207.A ND2 GLU 209.A OE1 no hydrogen 2.844 N/A ARG 208.A NH1 ASP 237.A O no hydrogen 2.736 N/A ARG 208.A NH1 ASP 237.A OD1 no hydrogen 3.307 N/A MET 210.A N ASN 207.A O no hydrogen 2.985 N/A VAL 211.A N ARG 208.A O no hydrogen 3.149 N/A THR 212.A N SER 215.A OG no hydrogen 2.819 N/A GLY 214.A N THR 212.A OG1 no hydrogen 3.221 N/A SER 215.A N THR 212.A O no hydrogen 3.010 N/A SER 215.A OG THR 212.A O no hydrogen 3.000 N/A VAL 216.A N LYS 194.A O no hydrogen 3.036 N/A VAL 217.A N ALA 244.A O no hydrogen 2.813 N/A ILE 218.A N VAL 196.A O no hydrogen 2.823 N/A ASP 219.A N THR 246.A OG1 no hydrogen 2.685 N/A VAL 220.A N VAL 198.A O no hydrogen 2.771 N/A GLY 221.A N ASP 219.A OD1 no hydrogen 2.977 N/A ASN 223.A N VAL 230.A O no hydrogen 2.679 N/A VAL 225.A N LYS 228.A O no hydrogen 3.053 N/A LYS 228.A NZ VAL 229.A O no hydrogen 2.961 N/A VAL 230.A N ASN 223.A O no hydrogen 2.817 N/A ASP 232.A N ASP 219.A OD1 no hydrogen 2.938 N/A ALA 233.A N ASP 219.A OD2 no hydrogen 2.873 N/A ASN 234.A N LEU 206.A O no hydrogen 2.873 N/A LEU 238.A N ASN 234.A O no hydrogen 3.116 N/A SER 239.A N PHE 235.A O no hydrogen 3.149 N/A SER 239.A N GLU 236.A O no hydrogen 3.376 N/A SER 239.A OG PHE 235.A O no hydrogen 3.160 N/A SER 239.A OG GLU 236.A O no hydrogen 2.845 N/A TYR 241.A N LEU 238.A O no hydrogen 2.787 N/A TYR 241.A OH VAL 211.A O no hydrogen 3.333 N/A VAL 242.A N LEU 238.A O no hydrogen 2.705 N/A GLU 243.A N SER 215.A O no hydrogen 2.824 N/A ALA 244.A N SER 215.A O no hydrogen 3.272 N/A ILE 245.A N LYS 1.A O no hydrogen 2.830 N/A THR 246.A N VAL 217.A O no hydrogen 3.044 N/A ILE 255.A N VAL 252.A O no hydrogen 2.973 N/A THR 256.A OG1 GLY 253.A O no hydrogen 2.679 N/A ASN 259.A N ILE 255.A O no hydrogen 3.036 N/A ASN 259.A N THR 256.A O no hydrogen 2.810 N/A ASN 259.A ND2 ALA 133.A O no hydrogen 3.296 N/A ASN 259.A ND2 ASP 140.A OD2 no hydrogen 2.971 N/A ILE 260.A N THR 256.A O no hydrogen 2.848 N/A LEU 261.A N ALA 257.A O no hydrogen 3.041 N/A GLU 262.A N THR 258.A O no hydrogen 2.594 N/A ASN 263.A N ASN 259.A O no hydrogen 3.225 N/A ASN 263.A ND2 VAL 112.A O no hydrogen 2.521 N/A ASN 263.A ND2 VAL 131.A O no hydrogen 2.822 N/A VAL 264.A N ILE 260.A O no hydrogen 3.081 N/A VAL 265.A N LEU 261.A O no hydrogen 2.985 N/A LYS 266.A N GLU 262.A O no hydrogen 3.131 N/A ALA 267.A N ASN 263.A O no hydrogen 2.912 N/A ALA 268.A N VAL 264.A O no hydrogen 3.083 N/A GLU 269.A N VAL 265.A O no hydrogen 2.954 N/A PHE 270.A N LYS 266.A O no hydrogen 2.931 N/A GLN 271.A N ALA 267.A O no hydrogen 2.933 N/A GLN 271.A NE2 ASN 85.A O no hydrogen 2.930 N/A GLN 271.A NE2 TYR 109.A O no hydrogen 2.789 N/A LYS 272.A N ALA 268.A O no hydrogen 3.142 N/A LYS 272.A NZ SER 23.A O no hydrogen 3.424 N/A ASN 273.A N GLU 269.A O no hydrogen 2.938 N/A ASN 274.A N GLN 271.A O no hydrogen 3.358 N/A LEU 275.A N GLN 271.A O no hydrogen 3.071 N/A