Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ktu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 2.A OE1 no hydrogen 3.409 N/A GLU 2.A N GLU 2.A OE1 no hydrogen 2.423 N/A HIS 5.A N ASP 163.A OD2 no hydrogen 3.331 N/A HIS 5.A ND1 ASP 163.A OD2 no hydrogen 2.871 N/A HIS 5.A NE2 TYR 167.A OH no hydrogen 2.803 N/A ARG 6.A N TYR 70.A OH no hydrogen 2.889 N/A ARG 6.A NH1 THR 68.A OG1 no hydrogen 2.687 N/A ARG 6.A NH1 VAL 69.A O no hydrogen 2.691 N/A THR 7.A OG1 SER 10.A OG no hydrogen 2.771 N/A LEU 8.A N HIS 46.A NE2 no hydrogen 3.075 N/A SER 10.A N THR 7.A OG1 no hydrogen 3.242 N/A SER 10.A OG THR 7.A O no hydrogen 3.522 N/A SER 10.A OG THR 7.A OG1 no hydrogen 2.771 N/A THR 11.A N THR 7.A O no hydrogen 3.347 N/A THR 11.A OG1 THR 7.A O no hydrogen 3.253 N/A LEU 14.A N THR 11.A O no hydrogen 2.935 N/A TRP 15.A N PRO 12.A O no hydrogen 3.498 N/A TRP 15.A NE1 THR 11.A OG1 no hydrogen 3.112 N/A ALA 16.A N CYS 67.A O no hydrogen 2.973 N/A SER 17.A OG GLN 64.A OE1 no hydrogen 2.997 N/A ILE 18.A N LEU 65.A O no hydrogen 3.030 N/A CYS 20.A N GLU 63.A O no hydrogen 2.928 N/A CYS 20.A SG PRO 21.A O no hydrogen 3.990 N/A ARG 22.A N GLU 62.A O no hydrogen 3.098 N/A ARG 22.A NE GLU 62.A OE2 no hydrogen 3.190 N/A GLU 24.A N PRO 21.A O no hydrogen 2.764 N/A LEU 25.A N ARG 22.A O no hydrogen 3.283 N/A ARG 26.A N GLY 118.A O no hydrogen 2.965 N/A ARG 26.A NE ASP 28.A OD1 no hydrogen 3.142 N/A ARG 26.A NH2 ASP 28.A OD2 no hydrogen 2.955 N/A LEU 27.A N GLN 60.A OE1 no hydrogen 2.760 N/A LEU 29.A N ARG 26.A O no hydrogen 2.885 N/A VAL 30.A N ARG 26.A O no hydrogen 3.052 N/A VAL 30.A N LEU 27.A O no hydrogen 3.111 N/A LEU 31.A N LEU 27.A O no hydrogen 2.856 N/A SER 33.A N VAL 30.A O no hydrogen 3.471 N/A SER 33.A OG LEU 29.A O no hydrogen 2.378 N/A GLN 35.A NE2 ARG 120.A O no hydrogen 2.892 N/A ARG 38.A N SER 36.A OG no hydrogen 3.385 N/A ARG 38.A NE GLU 128.A OE1 no hydrogen 3.444 N/A ARG 38.A NH1 HIS 168.A O no hydrogen 3.148 N/A ARG 38.A NH2 HIS 168.A O no hydrogen 2.740 N/A TRP 39.A NE1 TYR 88.A OH no hydrogen 3.086 N/A ARG 40.A N SER 48.A O no hydrogen 2.830 N/A ALA 45.A N GLU 41.A OE2 no hydrogen 2.814 N/A HIS 46.A N SER 43.A O no hydrogen 2.808 N/A HIS 46.A ND1 PRO 44.A O no hydrogen 2.934 N/A TRP 47.A N LEU 58.A O no hydrogen 2.887 N/A SER 48.A N ARG 40.A O no hydrogen 2.761 N/A SER 48.A OG THR 57.A OG1 no hydrogen 2.972 N/A GLY 49.A N TRP 56.A O no hydrogen 3.181 N/A LEU 51.A N GLN 54.A O no hydrogen 2.733 N/A GLN 54.A N LEU 51.A O no hydrogen 3.286 N/A TRP 56.A N GLY 49.A O no hydrogen 2.913 N/A TRP 56.A NE1 LEU 51.A O no hydrogen 3.077 N/A THR 57.A N THR 68.A O no hydrogen 3.196 N/A THR 57.A OG1 SER 48.A OG no hydrogen 2.972 N/A THR 57.A OG1 TYR 70.A OH no hydrogen 2.622 N/A LEU 58.A N TRP 47.A O no hydrogen 2.715 N/A THR 59.A N HIS 66.A O no hydrogen 2.977 N/A THR 59.A OG1 ALA 45.A O no hydrogen 2.615 N/A GLN 60.A NE2 LEU 25.A O no hydrogen 2.727 N/A THR 61.A N GLN 64.A O no hydrogen 2.928 N/A THR 61.A OG1 GLN 64.A O no hydrogen 3.455 N/A THR 61.A OG1 HIS 66.A NE2 no hydrogen 3.278 N/A GLN 64.A N THR 61.A OG1 no hydrogen 3.195 N/A LEU 65.A N ILE 18.A O no hydrogen 3.011 N/A HIS 66.A N THR 59.A O no hydrogen 2.660 N/A CYS 67.A N ALA 16.A O no hydrogen 2.831 N/A CYS 67.A SG LEU 65.A O no hydrogen 3.680 N/A THR 68.A N THR 57.A O no hydrogen 3.173 N/A THR 68.A OG1 LEU 14.A O no hydrogen 2.987 N/A TYR 70.A N VAL 55.A O no hydrogen 3.048 N/A TYR 70.A OH THR 57.A OG1 no hydrogen 2.622 N/A ARG 71.A NE GLU 81.A OE2 no hydrogen 2.957 N/A ARG 71.A NH1 ARG 76.A O no hydrogen 2.905 N/A ARG 71.A NH1 GLU 81.A OE1 no hydrogen 2.952 N/A ARG 71.A NH2 SER 75.A O no hydrogen 3.527 N/A ARG 71.A NH2 SER 75.A OG no hydrogen 3.106 N/A ARG 76.A NH1 ALA 13.A O no hydrogen 3.296 N/A THR 78.A N GLU 81.A OE1 no hydrogen 2.960 N/A GLU 81.A N THR 78.A OG1 no hydrogen 3.337 N/A LEU 82.A N THR 78.A O no hydrogen 2.871 N/A GLU 83.A N PRO 79.A O no hydrogen 3.096 N/A ALA 84.A N ASP 80.A O no hydrogen 3.315 N/A ALA 84.A N GLU 81.A O no hydrogen 2.820 N/A VAL 85.A N LEU 82.A O no hydrogen 3.026 N/A ARG 86.A N LEU 82.A O no hydrogen 3.141 N/A ARG 86.A NH1 GLU 83.A OE2 no hydrogen 3.491 N/A ARG 86.A NH2 ASP 92.A OD1 no hydrogen 3.152 N/A LYS 87.A N GLU 83.A O no hydrogen 2.917 N/A TYR 88.A N ALA 84.A O no hydrogen 3.027 N/A PHE 89.A N VAL 85.A O no hydrogen 3.079 N/A GLN 90.A N LYS 87.A O no hydrogen 3.011 N/A GLN 90.A NE2 LEU 121.A O no hydrogen 2.963 N/A LEU 91.A N ARG 86.A O no hydrogen 3.027 N/A VAL 93.A N GLN 90.A O no hydrogen 2.993 N/A LEU 95.A N GLU 24.A OE1 no hydrogen 2.748 N/A ALA 96.A N GLU 24.A OE2 no hydrogen 2.863 N/A GLN 97.A N THR 94.A O no hydrogen 3.254 N/A LEU 98.A N THR 94.A O no hydrogen 3.331 N/A TYR 99.A N LEU 95.A O no hydrogen 2.895 N/A TYR 99.A OH PHE 116.A O no hydrogen 2.666 N/A HIS 100.A N ALA 96.A O no hydrogen 3.136 N/A HIS 101.A N GLN 97.A O no hydrogen 3.101 N/A TRP 102.A N LEU 98.A O no hydrogen 2.876 N/A GLY 103.A N TYR 99.A O no hydrogen 2.826 N/A SER 104.A N HIS 100.A O no hydrogen 2.925 N/A SER 104.A OG HIS 100.A O no hydrogen 2.768 N/A VAL 105.A N HIS 101.A O no hydrogen 3.196 N/A HIS 108.A N ASP 106.A OD2 no hydrogen 2.743 N/A PHE 109.A N ASP 106.A OD2 no hydrogen 3.104 N/A GLN 110.A N ASP 106.A O no hydrogen 3.132 N/A GLU 111.A N SER 107.A O no hydrogen 3.212 N/A VAL 112.A N HIS 108.A O no hydrogen 3.133 N/A ALA 113.A N PHE 109.A O no hydrogen 2.735 N/A PHE 116.A N ALA 113.A O no hydrogen 3.151 N/A VAL 119.A N TYR 99.A OH no hydrogen 3.249 N/A ARG 120.A NE GLU 24.A O no hydrogen 2.900 N/A ARG 120.A NH1 PHE 89.A O no hydrogen 2.890 N/A ARG 120.A NH1 VAL 93.A O no hydrogen 3.320 N/A ARG 120.A NH2 GLU 24.A O no hydrogen 3.031 N/A ARG 120.A NH2 VAL 93.A O no hydrogen 3.123 N/A LEU 122.A N GLN 35.A OE1 no hydrogen 2.753 N/A ARG 123.A N TYR 88.A O no hydrogen 2.751 N/A ARG 123.A NE ASP 249.A OD1 no hydrogen 2.998 N/A ARG 123.A NH2 ASP 249.A OD2 no hydrogen 2.995 N/A GLN 124.A N MET 246.A O no hydrogen 2.936 N/A GLN 124.A NE2 GLN 35.A O no hydrogen 2.819 N/A GLU 128.A N ASP 125.A OD2 no hydrogen 3.358 N/A CYS 129.A N ASP 125.A O no hydrogen 2.997 N/A LEU 130.A N PRO 126.A O no hydrogen 2.781 N/A PHE 131.A N ILE 127.A O no hydrogen 3.081 N/A SER 132.A N GLU 128.A O no hydrogen 2.821 N/A SER 132.A OG GLU 128.A O no hydrogen 2.765 N/A PHE 133.A N CYS 129.A O no hydrogen 3.064 N/A ILE 134.A N LEU 130.A O no hydrogen 3.073 N/A CYS 135.A N PHE 131.A O no hydrogen 3.267 N/A CYS 135.A N SER 132.A O no hydrogen 3.093 N/A CYS 135.A SG PHE 131.A O no hydrogen 3.505 N/A SER 136.A N PHE 133.A O no hydrogen 3.055 N/A SER 136.A OG PHE 133.A O no hydrogen 2.689 N/A SER 137.A OG TYR 192.A OH no hydrogen 2.680 N/A ASN 139.A ND2 CYS 135.A O no hydrogen 3.192 N/A ASN 140.A N ASN 139.A OD1 no hydrogen 2.810 N/A ARG 143.A N ASN 140.A OD1 no hydrogen 2.823 N/A ILE 144.A N ASN 140.A O no hydrogen 2.918 N/A THR 145.A N ILE 141.A O no hydrogen 2.969 N/A THR 145.A OG1 ILE 141.A O no hydrogen 2.691 N/A GLY 146.A N ALA 142.A O no hydrogen 3.282 N/A MET 147.A N ARG 143.A O no hydrogen 2.976 N/A VAL 148.A N ILE 144.A O no hydrogen 2.947 N/A GLU 149.A N THR 145.A O no hydrogen 3.066 N/A ARG 150.A N GLY 146.A O no hydrogen 2.939 N/A ARG 150.A NE LEU 188.A O no hydrogen 2.912 N/A ARG 150.A NH2 LEU 188.A O no hydrogen 2.857 N/A LEU 151.A N MET 147.A O no hydrogen 2.888 N/A CYS 152.A N VAL 148.A O no hydrogen 3.031 N/A CYS 152.A SG VAL 148.A O no hydrogen 3.306 N/A GLN 153.A N GLU 149.A O no hydrogen 2.842 N/A ALA 154.A N ARG 150.A O no hydrogen 3.052 N/A PHE 155.A N LEU 151.A O no hydrogen 3.071 N/A GLY 156.A N CYS 152.A O no hydrogen 2.652 N/A LEU 159.A N TYR 167.A O no hydrogen 2.776 N/A GLN 161.A NE2 ASP 163.A O no hydrogen 2.892 N/A LEU 162.A N VAL 165.A O no hydrogen 2.857 N/A VAL 165.A N LEU 162.A O no hydrogen 2.836 N/A TYR 167.A N ILE 160.A O no hydrogen 3.020 N/A TYR 167.A OH HIS 5.A NE2 no hydrogen 2.803 N/A GLY 169.A N PRO 157.A O no hydrogen 2.737 N/A ALA 175.A N SER 172.A OG no hydrogen 3.128 N/A LEU 176.A N SER 172.A O no hydrogen 3.122 N/A ALA 177.A N LEU 173.A O no hydrogen 2.889 N/A GLY 178.A N ALA 175.A O no hydrogen 3.140 N/A HIS 184.A N GLU 180.A O no hydrogen 3.127 N/A LEU 185.A N VAL 181.A O no hydrogen 2.761 N/A ARG 186.A N GLU 182.A O no hydrogen 2.854 N/A ARG 186.A NE GLU 182.A OE1 no hydrogen 2.996 N/A ARG 186.A NH1 GLU 182.A OE1 no hydrogen 2.804 N/A LYS 187.A N ALA 183.A O no hydrogen 3.166 N/A LEU 188.A N LEU 185.A O no hydrogen 2.996 N/A GLY 189.A N ARG 186.A O no hydrogen 2.898 N/A LEU 190.A N LEU 185.A O no hydrogen 3.137 N/A TYR 192.A OH SER 137.A OG no hydrogen 2.680 N/A ARG 193.A NE LEU 190.A O no hydrogen 3.064 N/A ALA 194.A N GLY 191.A O no hydrogen 2.975 N/A ARG 195.A N TYR 192.A O no hydrogen 3.063 N/A VAL 197.A N ARG 193.A O no hydrogen 3.032 N/A SER 198.A N ALA 194.A O no hydrogen 3.189 N/A ALA 199.A N ARG 195.A O no hydrogen 2.862 N/A SER 200.A N TYR 196.A O no hydrogen 2.792 N/A SER 200.A OG PRO 233.A O no hydrogen 2.764 N/A ALA 201.A N VAL 197.A O no hydrogen 2.916 N/A ARG 202.A N SER 198.A O no hydrogen 3.057 N/A ARG 202.A NE ALA 177.A O no hydrogen 2.927 N/A ARG 202.A NH1 ALA 177.A O no hydrogen 3.489 N/A ARG 202.A NH1 GLY 178.A O no hydrogen 3.157 N/A ALA 203.A N ALA 199.A O no hydrogen 2.858 N/A ILE 204.A N SER 200.A O no hydrogen 3.002 N/A LEU 205.A N ALA 201.A O no hydrogen 3.282 N/A GLU 206.A N ARG 202.A O no hydrogen 2.707 N/A GLN 208.A N ALA 203.A O no hydrogen 3.076 N/A GLY 210.A N ILE 204.A O no hydrogen 2.746 N/A TRP 213.A N GLY 210.A O no hydrogen 2.833 N/A GLN 215.A N LEU 211.A O no hydrogen 2.915 N/A GLN 216.A N ALA 212.A O no hydrogen 3.013 N/A LEU 217.A N LEU 214.A O no hydrogen 3.006 N/A ARG 218.A N GLN 215.A O no hydrogen 3.411 N/A ARG 218.A NH1 ASP 249.A OD2 no hydrogen 3.117 N/A ARG 218.A NH2 GLN 124.A O no hydrogen 3.220 N/A GLU 219.A N GLN 216.A O no hydrogen 3.159 N/A SER 220.A N LEU 217.A O no hydrogen 2.938 N/A SER 220.A OG GLN 216.A O no hydrogen 3.547 N/A SER 221.A OG GLU 223.A OE1 no hydrogen 3.522 N/A TYR 222.A OH ASP 241.A OD1 no hydrogen 2.336 N/A GLU 224.A N SER 221.A OG no hydrogen 3.150 N/A ALA 225.A N SER 221.A O no hydrogen 2.713 N/A HIS 226.A N TYR 222.A O no hydrogen 2.808 N/A HIS 226.A NE2 THR 237.A O no hydrogen 3.147 N/A LYS 227.A N GLU 223.A O no hydrogen 3.223 N/A LYS 227.A NZ LYS 227.A O no hydrogen 2.428 N/A ALA 228.A N GLU 224.A O no hydrogen 3.139 N/A LEU 229.A N ALA 225.A O no hydrogen 3.264 N/A CYS 230.A N HIS 226.A O no hydrogen 3.415 N/A CYS 230.A SG HIS 226.A O no hydrogen 3.399 N/A CYS 230.A SG GLY 236.A O no hydrogen 3.788 N/A ILE 231.A N ALA 228.A O no hydrogen 2.946 N/A LEU 232.A N LEU 229.A O no hydrogen 3.180 N/A VAL 235.A N LEU 232.A O no hydrogen 3.120 N/A ALA 240.A N GLY 236.A O no hydrogen 3.135 N/A ASP 241.A N THR 237.A O no hydrogen 3.144 N/A CYS 242.A N LYS 238.A O no hydrogen 2.962 N/A CYS 242.A SG LYS 238.A O no hydrogen 3.768 N/A ILE 243.A N VAL 239.A O no hydrogen 3.022 N/A CYS 244.A N ALA 240.A O no hydrogen 2.823 N/A CYS 244.A SG ALA 240.A O no hydrogen 3.253 N/A LEU 245.A N ASP 241.A O no hydrogen 2.796 N/A MET 246.A N CYS 242.A O no hydrogen 2.824 N/A ALA 247.A N ILE 243.A O no hydrogen 2.828 N/A LEU 248.A N CYS 244.A O no hydrogen 3.283 N/A LYS 250.A N CYS 244.A O no hydrogen 3.022 N/A LYS 250.A NZ LEU 217.A O no hydrogen 2.966 N/A LYS 250.A NZ SER 220.A O no hydrogen 2.620 N/A LYS 250.A NZ LEU 248.A O no hydrogen 2.875 N/A ALA 253.A N LYS 250.A O no hydrogen 3.158 N/A HIS 259.A N ASP 257.A OD2 no hydrogen 3.181 N/A HIS 259.A ND1 ASP 311.A OD2 no hydrogen 2.655 N/A MET 260.A N ASP 257.A OD1 no hydrogen 3.411 N/A TRP 261.A N ASP 257.A O no hydrogen 3.221 N/A TRP 261.A NE1 ASN 285.A OD1 no hydrogen 2.827 N/A HIS 262.A N VAL 258.A O no hydrogen 3.035 N/A ILE 263.A N HIS 259.A O no hydrogen 3.016 N/A ALA 264.A N MET 260.A O no hydrogen 2.924 N/A GLN 265.A N TRP 261.A O no hydrogen 3.173 N/A ARG 266.A N HIS 262.A O no hydrogen 3.005 N/A ARG 266.A NE ASP 267.A OD1 no hydrogen 3.421 N/A ARG 266.A NE ASP 267.A OD2 no hydrogen 2.903 N/A ARG 266.A NH1 ASP 267.A OD1 no hydrogen 3.053 N/A ARG 266.A NH1 ASP 311.A OD1 no hydrogen 3.460 N/A ASP 267.A N ILE 263.A O no hydrogen 2.880 N/A TYR 268.A N ALA 264.A O no hydrogen 3.058 N/A TYR 268.A OH ASP 106.A OD1 no hydrogen 2.510 N/A TRP 270.A N ALA 264.A O no hydrogen 3.064 N/A HIS 271.A ND1 SER 269.A O no hydrogen 2.968 N/A THR 273.A N GLU 287.A OE1 no hydrogen 2.616 N/A THR 273.A N GLU 287.A OE2 no hydrogen 3.312 N/A THR 274.A OG1 GLU 287.A OE2 no hydrogen 3.407 N/A SER 275.A OG GLU 287.A OE2 no hydrogen 2.494 N/A GLN 276.A NE2 GLN 283.A OE1 no hydrogen 2.646 N/A SER 281.A OG GLN 283.A OE1 no hydrogen 3.103 N/A SER 281.A OG THR 284.A OG1 no hydrogen 3.055 N/A THR 284.A N SER 281.A OG no hydrogen 3.280 N/A THR 284.A OG1 GLY 279.A O no hydrogen 2.851 N/A THR 284.A OG1 SER 281.A O no hydrogen 3.006 N/A THR 284.A OG1 SER 281.A OG no hydrogen 3.055 N/A ASN 285.A N SER 281.A O no hydrogen 2.814 N/A LYS 286.A N PRO 282.A O no hydrogen 3.302 N/A GLU 287.A N GLN 283.A O no hydrogen 3.122 N/A LEU 288.A N THR 284.A O no hydrogen 2.965 N/A GLY 289.A N ASN 285.A O no hydrogen 3.216 N/A ASN 290.A N LYS 286.A O no hydrogen 3.289 N/A PHE 291.A N GLU 287.A O no hydrogen 2.904 N/A PHE 292.A N LEU 288.A O no hydrogen 3.126 N/A ARG 293.A N GLY 289.A O no hydrogen 2.990 N/A ARG 293.A NH1 GLN 252.A O no hydrogen 3.089 N/A SER 294.A N ASN 290.A O no hydrogen 2.924 N/A SER 294.A OG ASN 290.A O no hydrogen 3.527 N/A SER 294.A OG PHE 291.A O no hydrogen 3.016 N/A LEU 295.A N PHE 291.A O no hydrogen 3.027 N/A TRP 296.A N PHE 292.A O no hydrogen 2.890 N/A TRP 296.A NE1 ASP 106.A OD1 no hydrogen 3.032 N/A GLY 297.A N ARG 293.A O no hydrogen 2.780 N/A ALA 300.A N GLY 297.A O no hydrogen 2.963 N/A GLY 301.A N PRO 251.A O no hydrogen 2.844 N/A TRP 302.A N TYR 299.A O no hydrogen 2.858 N/A ALA 303.A N TYR 299.A O no hydrogen 3.221 N/A GLN 304.A N ALA 300.A O no hydrogen 2.822 N/A GLN 304.A NE2 GLY 301.A O no hydrogen 3.016 N/A ALA 305.A N GLY 301.A O no hydrogen 3.075 N/A VAL 306.A N TRP 302.A O no hydrogen 3.209 N/A LEU 307.A N ALA 303.A O no hydrogen 3.301 N/A PHE 308.A N GLN 304.A O no hydrogen 2.712 N/A SER 309.A N ALA 305.A O no hydrogen 2.758 N/A SER 309.A OG LEU 29.A O no hydrogen 3.229 N/A ALA 310.A N VAL 306.A O no hydrogen 3.000 N/A ASP 311.A N PHE 308.A O no hydrogen 3.305 N/A LEU 312.A N PHE 308.A O no hydrogen 3.160 N/A ARG 313.A NH2 SER 33.A OG no hydrogen 3.193 N/A ARG 313.A NH2 SER 309.A O no hydrogen 3.538 N/A GLN 314.A N ASP 311.A O no hydrogen 3.086 N/A