Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gak_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N PRO 73.A O no hydrogen 2.986 N/A PRO 1.A N ILE 75.A O no hydrogen 2.853 N/A CYS 3.A N ILE 77.A O no hydrogen 2.713 N/A CYS 3.A SG THR 4.A O no hydrogen 3.397 N/A ARG 6.A N SER 130.A OG no hydrogen 3.144 N/A ARG 6.A NH1 ASP 152.A OD2 no hydrogen 2.981 N/A GLN 7.A NE2 LYS 279.A O no hydrogen 2.979 N/A MET 8.A N THR 4.A O no hydrogen 3.223 N/A LEU 9.A N LEU 5.A O no hydrogen 3.080 N/A GLY 10.A N ARG 6.A O no hydrogen 2.799 N/A GLU 11.A N GLN 7.A O no hydrogen 2.855 N/A ALA 12.A N MET 8.A O no hydrogen 3.067 N/A ARG 13.A N LEU 9.A O no hydrogen 2.618 N/A ARG 13.A NE ILE 173.A O no hydrogen 3.307 N/A ARG 13.A NH2 SER 168.A OG no hydrogen 2.952 N/A LYS 14.A N GLY 10.A O no hydrogen 3.019 N/A LYS 14.A NZ HIS 15.A NE2 no hydrogen 3.428 N/A HIS 15.A N GLU 11.A O no hydrogen 3.008 N/A LYS 16.A N ARG 13.A O no hydrogen 3.181 N/A TYR 17.A N ALA 12.A O no hydrogen 2.677 N/A GLY 18.A N PHE 269.A O no hydrogen 3.016 N/A VAL 19.A N CYS 218.A O no hydrogen 3.012 N/A ALA 21.A N ILE 220.A O no hydrogen 3.208 N/A PHE 22.A N ILE 45.A O no hydrogen 2.668 N/A ASN 23.A N VAL 222.A O no hydrogen 3.399 N/A ASN 23.A ND2 ASP 82.A OD1 no hydrogen 2.966 N/A VAL 24.A N GLN 47.A O no hydrogen 2.822 N/A ASN 25.A N GLN 29.A OE1 no hydrogen 2.764 N/A ASN 25.A ND2 GLN 29.A OE1 no hydrogen 3.242 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.624 N/A GLN 29.A N ASN 26.A O no hydrogen 3.252 N/A GLN 29.A N ASN 26.A OD1 no hydrogen 3.266 N/A ILE 30.A N ASN 26.A O no hydrogen 3.343 N/A GLN 31.A N MET 27.A O no hydrogen 3.123 N/A GLY 32.A N GLU 28.A O no hydrogen 3.158 N/A ILE 33.A N GLN 29.A O no hydrogen 3.215 N/A MET 34.A N ILE 30.A O no hydrogen 2.929 N/A LYS 35.A N GLN 31.A O no hydrogen 3.149 N/A VAL 37.A N ILE 33.A O no hydrogen 3.086 N/A VAL 38.A N MET 34.A O no hydrogen 2.864 N/A GLN 39.A N LYS 35.A O no hydrogen 2.892 N/A LEU 40.A N VAL 37.A O no hydrogen 3.032 N/A LYS 41.A N VAL 38.A O no hydrogen 3.068 N/A SER 42.A N VAL 37.A O no hydrogen 2.843 N/A SER 42.A OG PRO 43.A O no hydrogen 2.996 N/A SER 42.A OG SER 271.A OG no hydrogen 2.749 N/A VAL 44.A N PRO 76.A O no hydrogen 3.067 N/A LEU 46.A N CYS 78.A O no hydrogen 2.888 N/A GLN 47.A N PHE 22.A O no hydrogen 2.674 N/A CYS 48.A N HIS 80.A O no hydrogen 2.769 N/A ARG 50.A NH1 HIS 83.A O no hydrogen 2.647 N/A ALA 52.A N SER 49.A OG no hydrogen 2.456 N/A LEU 53.A N SER 49.A O no hydrogen 3.119 N/A LYS 54.A N ARG 50.A O no hydrogen 3.219 N/A LYS 54.A N GLY 51.A O no hydrogen 2.796 N/A TYR 55.A N GLY 51.A O no hydrogen 3.049 N/A SER 56.A N ALA 52.A O no hydrogen 3.096 N/A SER 56.A OG ALA 52.A O no hydrogen 3.302 N/A ASP 57.A N LYS 54.A O no hydrogen 3.271 N/A TYR 60.A N SER 56.A O no hydrogen 3.319 N/A LYS 62.A N MET 58.A O no hydrogen 2.905 N/A LYS 63.A N ILE 59.A O no hydrogen 3.285 N/A LEU 64.A N TYR 60.A O no hydrogen 2.897 N/A CYS 65.A N LEU 61.A O no hydrogen 2.866 N/A GLU 66.A N LYS 62.A O no hydrogen 2.936 N/A ALA 67.A N LYS 63.A O no hydrogen 3.109 N/A ALA 67.A N LEU 64.A O no hydrogen 2.826 N/A ALA 68.A N LEU 64.A O no hydrogen 3.083 N/A LEU 69.A N CYS 65.A O no hydrogen 3.350 N/A GLU 70.A N GLU 66.A O no hydrogen 3.354 N/A LYS 71.A N ALA 67.A O no hydrogen 2.837 N/A HIS 72.A N ALA 68.A O no hydrogen 2.842 N/A ILE 77.A N PRO 1.A O no hydrogen 3.102 N/A CYS 78.A N VAL 44.A O no hydrogen 3.115 N/A CYS 78.A SG SER 99.A OG no hydrogen 3.688 N/A ILE 79.A N SER 99.A OG no hydrogen 3.256 N/A HIS 80.A N LEU 46.A O no hydrogen 2.983 N/A HIS 80.A ND1 SER 100.A OG no hydrogen 2.846 N/A LEU 81.A N SER 100.A O no hydrogen 2.849 N/A ASP 82.A N CYS 48.A O no hydrogen 2.827 N/A THR 86.A N ASP 85.A OD1 no hydrogen 2.406 N/A THR 86.A OG1 ASP 85.A OD1 no hydrogen 3.350 N/A THR 86.A OG1 SER 89.A OG no hydrogen 3.137 N/A SER 89.A N THR 86.A OG1 no hydrogen 3.010 N/A SER 89.A OG ASP 85.A OD1 no hydrogen 3.308 N/A SER 89.A OG THR 86.A O no hydrogen 2.361 N/A SER 89.A OG THR 86.A OG1 no hydrogen 3.137 N/A LYS 91.A N LEU 87.A O no hydrogen 2.972 N/A MET 92.A N GLU 88.A O no hydrogen 3.129 N/A MET 92.A N SER 89.A O no hydrogen 3.289 N/A ALA 93.A N SER 89.A O no hydrogen 3.087 N/A ILE 94.A N VAL 90.A O no hydrogen 2.734 N/A ASP 95.A N MET 92.A O no hydrogen 2.647 N/A LEU 96.A N ALA 93.A O no hydrogen 3.049 N/A PHE 98.A N ALA 93.A O no hydrogen 3.120 N/A SER 99.A N ILE 79.A O no hydrogen 2.839 N/A SER 99.A OG CYS 3.A O no hydrogen 2.566 N/A SER 100.A N ILE 79.A O no hydrogen 2.913 N/A SER 100.A OG HIS 80.A ND1 no hydrogen 2.846 N/A VAL 101.A N SER 130.A O no hydrogen 2.939 N/A MET 102.A N LEU 81.A O no hydrogen 2.985 N/A ILE 103.A N GLU 132.A O no hydrogen 2.964 N/A ASP 104.A N GLY 84.A O no hydrogen 2.735 N/A SER 106.A N ASP 104.A OD1 no hydrogen 2.919 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.701 N/A GLU 112.A N PRO 109.A O no hydrogen 2.709 N/A ASN 113.A N PRO 109.A O no hydrogen 3.070 N/A ASN 113.A ND2 GLU 134.A O no hydrogen 2.976 N/A VAL 114.A N PHE 110.A O no hydrogen 3.227 N/A ARG 115.A N ASP 111.A O no hydrogen 3.183 N/A ARG 115.A NE GLU 112.A OE2 no hydrogen 2.735 N/A ARG 115.A NH2 GLU 112.A OE1 no hydrogen 3.180 N/A ARG 115.A NH2 GLU 112.A OE2 no hydrogen 3.499 N/A ILE 116.A N GLU 112.A O no hydrogen 2.920 N/A THR 117.A N ASN 113.A O no hydrogen 2.929 N/A THR 117.A OG1 ASN 113.A O no hydrogen 2.727 N/A THR 117.A OG1 ASN 113.A OD1 no hydrogen 2.949 N/A LYS 118.A N VAL 114.A O no hydrogen 2.905 N/A GLU 119.A N ARG 115.A O no hydrogen 3.063 N/A VAL 120.A N ILE 116.A O no hydrogen 3.331 N/A VAL 121.A N THR 117.A O no hydrogen 2.900 N/A ALA 122.A N LYS 118.A O no hydrogen 3.333 N/A ALA 124.A N VAL 120.A O no hydrogen 2.640 N/A HIS 125.A N VAL 121.A O no hydrogen 3.116 N/A HIS 125.A NE2 ASP 152.A OD1 no hydrogen 2.424 N/A ALA 126.A N TYR 123.A O no hydrogen 3.062 N/A ARG 127.A N ALA 124.A O no hydrogen 2.820 N/A ARG 127.A NH1 TYR 123.A O no hydrogen 2.996 N/A GLY 128.A N HIS 125.A O no hydrogen 3.186 N/A SER 130.A N SER 99.A O no hydrogen 3.280 N/A VAL 131.A N ASP 152.A OD1 no hydrogen 3.009 N/A GLU 132.A N VAL 101.A O no hydrogen 2.897 N/A ALA 133.A N ALA 153.A O no hydrogen 3.182 N/A THR 137.A OG1 LEU 135.A O no hydrogen 3.063 N/A THR 137.A OG1 ALA 157.A O no hydrogen 3.460 N/A LYS 143.A N PRO 139.A O no hydrogen 3.151 N/A LYS 143.A N GLN 140.A O no hydrogen 2.940 N/A LYS 143.A NZ GLU 147.A OE2 no hydrogen 3.310 N/A LYS 144.A N GLN 140.A O no hydrogen 3.316 N/A PHE 145.A N ASP 141.A O no hydrogen 3.010 N/A VAL 146.A N ALA 142.A O no hydrogen 3.482 N/A GLU 147.A N LYS 143.A O no hydrogen 2.962 N/A LEU 148.A N LYS 144.A O no hydrogen 2.592 N/A THR 149.A N PHE 145.A O no hydrogen 2.708 N/A THR 149.A N VAL 146.A O no hydrogen 3.256 N/A THR 149.A OG1 PHE 145.A O no hydrogen 2.716 N/A GLY 150.A N VAL 146.A O no hydrogen 2.745 N/A ASP 152.A N VAL 131.A O no hydrogen 2.982 N/A ALA 153.A N VAL 131.A O no hydrogen 3.276 N/A LEU 154.A N PRO 174.A O no hydrogen 3.031 N/A ALA 155.A N ALA 133.A O no hydrogen 3.091 N/A VAL 156.A N VAL 176.A O no hydrogen 3.180 N/A ARG 163.A NH1 THR 137.A O no hydrogen 2.265 N/A THR 166.A OG1 ASP 162.A O no hydrogen 2.742 N/A THR 166.A OG1 ARG 163.A O no hydrogen 2.796 N/A ILE 167.A N ARG 163.A O no hydrogen 2.678 N/A SER 168.A N VAL 164.A O no hydrogen 2.929 N/A ASP 169.A N LYS 165.A O no hydrogen 2.803 N/A LEU 170.A N THR 166.A O no hydrogen 2.875 N/A THR 171.A N ILE 167.A O no hydrogen 3.216 N/A THR 171.A OG1 ILE 167.A O no hydrogen 2.510 N/A THR 171.A OG1 SER 168.A O no hydrogen 3.197 N/A GLY 172.A N SER 168.A O no hydrogen 2.606 N/A LEU 175.A N GLY 216.A O no hydrogen 3.243 N/A MET 177.A N LYS 219.A O no hydrogen 3.139 N/A HIS 178.A NE2 GLU 132.A OE2 no hydrogen 2.624 N/A SER 180.A N ASN 221.A O no hydrogen 3.380 N/A SER 182.A N ASP 225.A OD2 no hydrogen 2.880 N/A SER 182.A OG VAL 204.A O no hydrogen 3.015 N/A VAL 183.A N ASP 225.A OD1 no hydrogen 2.982 N/A LYS 188.A N PRO 184.A O no hydrogen 3.320 N/A LYS 188.A NZ ASP 189.A OD1 no hydrogen 3.270 N/A LYS 188.A NZ ASP 189.A OD2 no hydrogen 2.972 N/A ASP 189.A N LYS 185.A O no hydrogen 3.073 N/A MET 190.A N ASP 186.A O no hydrogen 2.857 N/A ILE 191.A N VAL 187.A O no hydrogen 3.241 N/A ASN 192.A N LYS 188.A O no hydrogen 2.779 N/A ASN 192.A ND2 MET 198.A O no hydrogen 3.279 N/A LYS 193.A N ASP 189.A O no hydrogen 3.019 N/A TYR 194.A N MET 190.A O no hydrogen 3.499 N/A TYR 194.A OH GLU 240.A OE2 no hydrogen 2.892 N/A GLY 195.A N ASN 192.A O no hydrogen 3.460 N/A GLY 196.A N ILE 191.A O no hydrogen 3.381 N/A VAL 204.A N SER 181.A O no hydrogen 2.935 N/A SER 208.A N PRO 205.A O no hydrogen 3.041 N/A SER 208.A OG PRO 205.A O no hydrogen 2.981 N/A ILE 209.A N ILE 206.A O no hydrogen 3.032 N/A VAL 210.A N ILE 206.A O no hydrogen 2.881 N/A HIS 211.A N GLU 207.A O no hydrogen 3.145 N/A ALA 212.A N SER 208.A O no hydrogen 2.980 N/A ILE 213.A N ILE 209.A O no hydrogen 2.858 N/A GLY 214.A N VAL 210.A O no hydrogen 3.386 N/A GLU 215.A N ALA 212.A O no hydrogen 2.826 N/A GLY 216.A N ILE 213.A O no hydrogen 2.876 N/A VAL 217.A N ALA 212.A O no hydrogen 3.455 N/A CYS 218.A N LEU 175.A O no hydrogen 3.261 N/A CYS 218.A SG GLY 216.A O no hydrogen 3.472 N/A LYS 219.A NZ GLN 47.A OE1 no hydrogen 3.340 N/A LYS 219.A NZ GLU 132.A OE1 no hydrogen 2.652 N/A LYS 219.A NZ ASN 221.A OD1 no hydrogen 2.973 N/A ILE 220.A N VAL 19.A O no hydrogen 3.080 N/A ASN 221.A N MET 177.A O no hydrogen 3.018 N/A VAL 222.A N ALA 21.A O no hydrogen 3.042 N/A ASP 225.A N SER 181.A OG no hydrogen 3.207 N/A ARG 227.A N ASP 223.A O no hydrogen 3.218 N/A ARG 227.A NH2 ASP 223.A OD1 no hydrogen 2.748 N/A MET 228.A N SER 224.A O no hydrogen 2.750 N/A ALA 229.A N ASP 225.A O no hydrogen 3.365 N/A MET 230.A N SER 226.A O no hydrogen 3.407 N/A THR 231.A N ARG 227.A O no hydrogen 3.310 N/A GLY 232.A N ALA 229.A O no hydrogen 3.053 N/A ALA 233.A N ALA 229.A O no hydrogen 3.345 N/A ILE 234.A N MET 230.A O no hydrogen 3.240 N/A ARG 235.A NH1 TYR 194.A O no hydrogen 3.465 N/A LYS 236.A N GLY 232.A O no hydrogen 3.316 N/A LYS 236.A NZ GLU 240.A OE1 no hydrogen 3.532 N/A VAL 237.A N ALA 233.A O no hydrogen 2.984 N/A PHE 238.A N ILE 234.A O no hydrogen 3.090 N/A VAL 239.A N ARG 235.A O no hydrogen 2.967 N/A VAL 239.A N LYS 236.A O no hydrogen 3.146 N/A GLU 240.A N LYS 236.A O no hydrogen 2.940 N/A HIS 241.A N VAL 237.A O no hydrogen 2.680 N/A GLU 243.A N GLU 243.A OE2 no hydrogen 2.767 N/A LYS 244.A N HIS 241.A O no hydrogen 3.082 N/A ARG 248.A NE ASP 246.A OD1 no hydrogen 3.227 N/A ARG 248.A NE ASP 246.A OD2 no hydrogen 2.753 N/A ARG 248.A NH2 ASP 246.A OD2 no hydrogen 2.621 N/A ASP 249.A N ASP 246.A O no hydrogen 2.551 N/A TYR 250.A N PRO 247.A O no hydrogen 3.042 N/A LEU 251.A N PRO 247.A O no hydrogen 2.583 N/A GLY 252.A N ARG 248.A O no hydrogen 3.203 N/A GLY 254.A N TYR 250.A O no hydrogen 3.202 N/A ARG 255.A N LEU 251.A O no hydrogen 3.396 N/A ARG 255.A NH1 GLN 31.A OE1 no hydrogen 3.055 N/A ASP 256.A N GLY 252.A O no hydrogen 3.297 N/A ALA 257.A N PRO 253.A O no hydrogen 2.990 N/A ILE 258.A N GLY 254.A O no hydrogen 2.832 N/A THR 259.A N ARG 255.A O no hydrogen 2.940 N/A THR 259.A OG1 GLY 32.A O no hydrogen 2.650 N/A THR 259.A OG1 ARG 255.A O no hydrogen 3.339 N/A GLU 260.A N ASP 256.A O no hydrogen 2.698 N/A MET 261.A N ALA 257.A O no hydrogen 2.992 N/A MET 261.A N ILE 258.A O no hydrogen 2.867 N/A LEU 262.A N ILE 258.A O no hydrogen 2.971 N/A ILE 263.A N THR 259.A O no hydrogen 3.267 N/A ILE 266.A N LEU 262.A O no hydrogen 2.923 N/A LYS 267.A N ILE 263.A O no hydrogen 3.283 N/A ALA 268.A N PRO 264.A O no hydrogen 2.798 N/A PHE 269.A N LYS 265.A O no hydrogen 2.968 N/A GLY 270.A N ILE 266.A O no hydrogen 2.774 N/A SER 271.A OG GLY 18.A O no hydrogen 3.183 N/A SER 271.A OG SER 42.A OG no hydrogen 2.749 N/A GLY 273.A N LEU 40.A O no hydrogen 2.725 N/A GLY 273.A N LYS 41.A O no hydrogen 2.745 N/A HIS 274.A N SER 271.A O no hydrogen 2.951 N/A HIS 274.A ND1 ASP 277.A OD2 no hydrogen 2.775 N/A ALA 275.A N LYS 41.A O no hydrogen 2.896 N/A ASP 277.A N HIS 274.A O no hydrogen 2.977 N/A VAL 281.A N GLN 7.A OE1 no hydrogen 2.770 N/A SER 282.A N GLU 285.A OE1 no hydrogen 3.162 N/A SER 282.A OG GLU 285.A OE1 no hydrogen 3.191 N/A ALA 286.A N SER 282.A O no hydrogen 2.894 N/A LYS 287.A N GLU 284.A O no hydrogen 3.069 N/A LYS 287.A NZ GLU 284.A OE2 no hydrogen 3.072 N/A TRP 289.A N ALA 286.A O no hydrogen 2.965 N/A TYR 290.A N LYS 287.A O no hydrogen 2.734 N/A TYR 290.A OH ASP 152.A OD2 no hydrogen 2.300 N/A