Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jkp_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A NE1 GLU 48.A OE2 no hydrogen 2.804 N/A LYS 3.A N GLN 338.A O no hydrogen 2.937 N/A ALA 5.A N VAL 336.A O no hydrogen 3.345 N/A LEU 9.A N GLN 60.A OE1 no hydrogen 2.862 N/A PHE 10.A N CYS 102.A O no hydrogen 2.853 N/A CYS 11.A SG ALA 30.A O no hydrogen 3.397 N/A ALA 12.A N HIS 100.A O no hydrogen 2.880 N/A SER 13.A N VAL 32.A O no hydrogen 3.086 N/A LYS 16.A N ASN 24.A OD1 no hydrogen 3.242 N/A GLU 19.A N LYS 16.A O no hydrogen 3.247 N/A THR 20.A N GLU 19.A OE2 no hydrogen 2.880 N/A GLU 21.A N GLU 19.A OE2 no hydrogen 3.378 N/A CYS 22.A N SER 93.A O no hydrogen 3.024 N/A HIS 23.A N GLU 21.A OE2 no hydrogen 2.668 N/A ASN 24.A N GLU 21.A OE1 no hydrogen 3.091 N/A ASN 24.A ND2 LYS 16.A O no hydrogen 2.817 N/A VAL 25.A N GLU 21.A O no hydrogen 2.990 N/A TRP 26.A N CYS 22.A O no hydrogen 2.923 N/A ALA 27.A N HIS 23.A O no hydrogen 2.912 N/A THR 28.A N ASN 24.A O no hydrogen 2.909 N/A THR 28.A OG1 VAL 25.A O no hydrogen 2.773 N/A THR 28.A OG1 HIS 29.A ND1 no hydrogen 3.169 N/A HIS 29.A N VAL 25.A O no hydrogen 2.945 N/A HIS 29.A N TRP 26.A O no hydrogen 3.128 N/A CYS 31.A N ALA 27.A O no hydrogen 3.018 N/A VAL 32.A N CYS 11.A O no hydrogen 3.205 N/A THR 34.A N SER 13.A O no hydrogen 3.113 N/A THR 34.A OG1 ASP 14.A OD1 no hydrogen 2.611 N/A GLN 39.A NE2 ASN 37.A OD1 no hydrogen 2.845 N/A ILE 41.A N SER 128.A O no hydrogen 3.096 N/A LEU 43.A N VAL 126.A O no hydrogen 3.019 N/A GLU 48.A N CYS 123.A O no hydrogen 3.017 N/A PHE 50.A N GLY 121.A O no hydrogen 2.986 N/A MET 52.A N GLY 119.A O no hydrogen 2.869 N/A TRP 53.A N ASN 51.A OD1 no hydrogen 3.070 N/A LYS 54.A N ASN 51.A O no hydrogen 2.851 N/A ASN 55.A ND2 TYR 334.A O no hydrogen 2.859 N/A MET 57.A N ASN 55.A OD1 no hydrogen 3.351 N/A VAL 58.A N ASN 55.A O no hydrogen 3.046 N/A GLN 60.A N ASN 56.A O no hydrogen 2.968 N/A GLN 60.A NE2 LEU 9.A O no hydrogen 2.619 N/A MET 61.A N MET 57.A O no hydrogen 2.917 N/A GLN 62.A N VAL 58.A O no hydrogen 2.910 N/A GLU 63.A N GLU 59.A O no hydrogen 2.951 N/A ASP 64.A N GLN 60.A O no hydrogen 2.909 N/A VAL 65.A N MET 61.A O no hydrogen 2.894 N/A ILE 66.A N GLN 62.A O no hydrogen 2.927 N/A SER 67.A N GLU 63.A O no hydrogen 2.938 N/A LEU 68.A N ASP 64.A O no hydrogen 2.857 N/A TRP 69.A N VAL 65.A O no hydrogen 2.910 N/A ASP 70.A N ILE 66.A O no hydrogen 2.900 N/A GLN 71.A N SER 67.A O no hydrogen 2.936 N/A GLN 71.A N LEU 68.A O no hydrogen 3.130 N/A CYS 72.A N LEU 68.A O no hydrogen 2.892 N/A LEU 73.A N TRP 69.A O no hydrogen 2.938 N/A GLN 74.A NE2 GLN 71.A O no hydrogen 3.013 N/A CYS 76.A N MET 282.A O no hydrogen 2.724 N/A LYS 78.A N ILE 85.A O no hydrogen 2.943 N/A LEU 79.A N GLN 280.A O no hydrogen 3.020 N/A THR 80.A OG1 SER 83.A OG no hydrogen 3.021 N/A SER 83.A OG THR 80.A OG1 no hydrogen 3.021 N/A LYS 86.A NZ VAL 84.A O no hydrogen 3.559 N/A GLN 87.A N CYS 76.A O no hydrogen 2.825 N/A GLN 87.A NE2 PRO 75.A O no hydrogen 2.740 N/A CYS 89.A SG GLN 74.A O no hydrogen 3.928 N/A ASP 95.A N GLU 21.A OE2 no hydrogen 3.037 N/A ILE 97.A N HIS 23.A ND1 no hydrogen 2.791 N/A ILE 99.A N ILE 135.A O no hydrogen 3.016 N/A HIS 100.A N ALA 12.A O no hydrogen 2.770 N/A HIS 100.A ND1 THR 132.A O no hydrogen 2.957 N/A TYR 101.A N THR 132.A OG1 no hydrogen 2.969 N/A TYR 101.A OH ASP 64.A OD2 no hydrogen 2.700 N/A CYS 102.A N PHE 10.A O no hydrogen 2.736 N/A THR 103.A OG1 TYR 107.A O no hydrogen 3.496 N/A TYR 107.A N PRO 104.A O no hydrogen 3.374 N/A TYR 107.A OH GLN 338.A OE1 no hydrogen 3.349 N/A VAL 108.A N VAL 337.A O no hydrogen 3.184 N/A ILE 109.A N VAL 129.A O no hydrogen 2.996 N/A LEU 110.A N LYS 335.A O no hydrogen 2.896 N/A LYS 111.A N SER 127.A O no hydrogen 2.864 N/A LYS 111.A NZ GLU 40.A OE1 no hydrogen 3.217 N/A LYS 111.A NZ GLU 40.A OE2 no hydrogen 3.045 N/A CYS 112.A N LYS 333.A O no hydrogen 3.011 N/A ASN 113.A N ASN 125.A O no hydrogen 3.007 N/A ASN 113.A ND2 ASN 125.A O no hydrogen 2.929 N/A ASN 113.A ND2 SER 127.A OG no hydrogen 2.876 N/A THR 120.A N ASN 118.A OD1 no hydrogen 3.239 N/A GLY 121.A N PHE 50.A O no hydrogen 3.203 N/A CYS 123.A N GLU 48.A O no hydrogen 2.744 N/A ASN 125.A N ASP 114.A OD1 no hydrogen 3.042 N/A SER 127.A N LYS 111.A O no hydrogen 2.932 N/A SER 127.A OG GLU 40.A OE1 no hydrogen 2.722 N/A SER 128.A N ILE 41.A O no hydrogen 2.656 N/A VAL 129.A N ILE 109.A O no hydrogen 2.888 N/A CYS 131.A SG GLN 130.A O no hydrogen 3.235 N/A THR 132.A N TYR 101.A O no hydrogen 2.905 N/A THR 132.A OG1 HIS 133.A O no hydrogen 2.842 N/A HIS 133.A N TYR 334.A OH no hydrogen 3.047 N/A HIS 133.A ND1 TYR 334.A OH no hydrogen 2.720 N/A HIS 133.A NE2 GLU 330.A OE1 no hydrogen 3.294 N/A ILE 135.A N ILE 99.A O no hydrogen 2.840 N/A LYS 136.A NZ PRO 96.A O no hydrogen 3.013 N/A VAL 138.A N LYS 136.A O no hydrogen 2.740 N/A SER 140.A OG LEU 143.A O no hydrogen 2.755 N/A THR 141.A N HIS 235.A O no hydrogen 3.068 N/A THR 141.A OG1 GLU 230.A O no hydrogen 2.633 N/A THR 141.A OG1 MET 233.A O no hydrogen 3.059 N/A GLN 142.A NE2 ILE 231.A O no hydrogen 3.126 N/A LEU 143.A N THR 141.A O no hydrogen 2.509 N/A LEU 144.A N GLY 299.A O no hydrogen 2.693 N/A ASN 146.A N ASN 296.A O no hydrogen 2.806 N/A SER 148.A N GLU 330.A OE2 no hydrogen 3.153 N/A SER 148.A OG GLU 330.A OE1 no hydrogen 3.052 N/A SER 148.A OG GLU 330.A OE2 no hydrogen 3.346 N/A ALA 150.A N LEU 172.A O no hydrogen 2.801 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.559 N/A ILE 155.A N HIS 171.A O no hydrogen 2.943 N/A ARG 157.A N ILE 169.A O no hydrogen 2.863 N/A ARG 157.A NE ASN 118.A O no hydrogen 3.375 N/A ARG 157.A NH2 PHE 117.A O no hydrogen 2.863 N/A SER 158.A OG THR 167.A O no hydrogen 3.510 N/A THR 162.A N ASN 160.A OD1 no hydrogen 3.352 N/A THR 162.A OG1 ASN 160.A OD1 no hydrogen 2.704 N/A ASN 163.A N ASN 160.A O no hydrogen 3.066 N/A ALA 165.A N ASN 163.A OD1 no hydrogen 3.077 N/A LYS 166.A N ASN 163.A O no hydrogen 2.854 N/A THR 167.A OG1 ASP 325.A OD2 no hydrogen 3.399 N/A ILE 168.A N LEU 302.A O no hydrogen 2.994 N/A ILE 169.A N ARG 157.A O no hydrogen 2.864 N/A VAL 170.A N ILE 300.A O no hydrogen 2.674 N/A HIS 171.A N ILE 155.A O no hydrogen 2.863 N/A LEU 172.A N THR 298.A O no hydrogen 2.943 N/A ASN 173.A ND2 GLU 152.A O no hydrogen 2.729 N/A SER 175.A OG ASN 296.A OD1 no hydrogen 3.447 N/A VAL 176.A N ILE 297.A O no hydrogen 3.377 N/A ILE 178.A N SER 295.A O no hydrogen 2.928 N/A ASN 179.A N GLU 193.A O no hydrogen 2.841 N/A CYS 180.A N CYS 293.A O no hydrogen 2.906 N/A THR 181.A N TYR 191.A O no hydrogen 2.828 N/A ARG 182.A N ILE 291.A O no hydrogen 2.693 N/A ARG 182.A NE PRO 183.A O no hydrogen 3.162 N/A ARG 182.A NH1 ILE 187.A O no hydrogen 3.283 N/A ARG 182.A NH1 ILE 287.A O no hydrogen 2.953 N/A ARG 182.A NH2 PRO 183.A O no hydrogen 3.498 N/A ARG 182.A NH2 ILE 287.A O no hydrogen 3.326 N/A LYS 189.A NZ ALA 190.A O no hydrogen 2.633 N/A ALA 190.A N CYS 266.A O no hydrogen 3.153 N/A TYR 191.A N THR 181.A O no hydrogen 3.012 N/A CYS 192.A N LEU 264.A O no hydrogen 3.017 N/A GLU 193.A N ASN 179.A O no hydrogen 2.685 N/A ILE 194.A N ILE 262.A O no hydrogen 2.888 N/A GLY 196.A N GLY 260.A O no hydrogen 2.712 N/A THR 197.A N ASN 195.A OD1 no hydrogen 3.146 N/A THR 197.A OG1 ASN 259.A O no hydrogen 2.670 N/A TRP 199.A N ASN 195.A O no hydrogen 3.125 N/A TRP 199.A NE1 LEU 250.A O no hydrogen 2.610 N/A ASN 200.A N GLY 196.A O no hydrogen 2.895 N/A LYS 201.A N THR 197.A O no hydrogen 2.954 N/A VAL 202.A N LYS 198.A O no hydrogen 2.952 N/A LEU 203.A N TRP 199.A O no hydrogen 2.888 N/A LYS 204.A N ASN 200.A O no hydrogen 2.897 N/A GLN 205.A N LYS 201.A O no hydrogen 2.976 N/A VAL 206.A N VAL 202.A O no hydrogen 2.906 N/A THR 207.A N LEU 203.A O no hydrogen 2.898 N/A THR 207.A OG1 LEU 203.A O no hydrogen 3.485 N/A THR 207.A OG1 LYS 204.A O no hydrogen 2.640 N/A GLU 208.A N LYS 204.A O no hydrogen 2.948 N/A LYS 209.A N GLN 205.A O no hydrogen 2.975 N/A LYS 209.A NZ GLU 212.A OE2 no hydrogen 3.431 N/A LEU 210.A N VAL 206.A O no hydrogen 2.881 N/A LYS 211.A N THR 207.A O no hydrogen 2.886 N/A GLU 212.A N LYS 209.A O no hydrogen 3.017 N/A HIS 213.A N LEU 210.A O no hydrogen 3.045 N/A PHE 214.A N LYS 211.A O no hydrogen 3.388 N/A ASN 216.A N LYS 211.A O no hydrogen 3.173 N/A THR 218.A N SER 312.A O no hydrogen 2.547 N/A THR 218.A OG1 SER 312.A O no hydrogen 3.547 N/A ILE 220.A N GLU 314.A O no hydrogen 2.984 N/A PHE 221.A N ASN 253.A OD1 no hydrogen 2.717 N/A GLN 222.A N PHE 316.A O no hydrogen 2.962 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.857 N/A ILE 231.A N ASP 228.A O no hydrogen 2.938 N/A THR 232.A N ASP 228.A O no hydrogen 2.995 N/A THR 232.A OG1 ASP 228.A O no hydrogen 3.285 N/A MET 233.A N LEU 229.A O no hydrogen 2.974 N/A HIS 234.A N CYS 245.A O no hydrogen 2.878 N/A HIS 234.A ND1 THR 141.A O no hydrogen 2.939 N/A HIS 235.A N THR 141.A OG1 no hydrogen 2.899 N/A PHE 236.A N PHE 243.A O no hydrogen 2.975 N/A CYS 238.A N GLU 241.A O no hydrogen 2.883 N/A GLU 241.A N CYS 238.A O no hydrogen 2.812 N/A PHE 243.A N PHE 236.A O no hydrogen 2.865 N/A TYR 244.A N LYS 267.A O no hydrogen 2.919 N/A TYR 244.A OH GLU 230.A OE2 no hydrogen 2.630 N/A CYS 245.A N HIS 234.A O no hydrogen 2.871 N/A ASN 246.A N PRO 265.A O no hydrogen 3.066 N/A THR 247.A OG1 GLN 142.A OE1 no hydrogen 2.600 N/A THR 248.A N ASN 246.A OD1 no hydrogen 3.271 N/A THR 248.A OG1 ASN 246.A OD1 no hydrogen 3.086 N/A GLN 249.A NE2 THR 263.A O no hydrogen 3.054 N/A LEU 250.A N THR 247.A O no hydrogen 3.004 N/A PHE 251.A N THR 248.A O no hydrogen 2.919 N/A ASN 253.A ND2 PHE 221.A O no hydrogen 2.918 N/A THR 254.A N ASN 252.A OD1 no hydrogen 3.291 N/A THR 254.A OG1 ASN 252.A OD1 no hydrogen 2.782 N/A CYS 255.A SG CYS 258.A O no hydrogen 4.024 N/A ILE 256.A N THR 254.A O no hydrogen 2.848 N/A ILE 262.A N ILE 194.A O no hydrogen 2.822 N/A LEU 264.A N CYS 192.A O no hydrogen 2.756 N/A CYS 266.A N ALA 190.A O no hydrogen 2.891 N/A LYS 267.A N TYR 244.A O no hydrogen 2.907 N/A ILE 268.A N ARG 188.A O no hydrogen 2.861 N/A LYS 269.A N PHE 242.A O no hydrogen 2.947 N/A LYS 269.A NZ ILE 271.A O no hydrogen 3.147 N/A GLN 270.A NE2 ILE 268.A O no hydrogen 3.049 N/A ILE 272.A N ALA 281.A O no hydrogen 2.935 N/A ASN 273.A N GLU 230.A OE2 no hydrogen 2.966 N/A ASN 273.A ND2 GLU 230.A OE1 no hydrogen 3.141 N/A MET 274.A N GLY 279.A O no hydrogen 3.012 N/A GLN 276.A N GLN 276.A OE1 no hydrogen 2.870 N/A ALA 281.A N ILE 272.A O no hydrogen 2.870 N/A MET 282.A N VAL 77.A O no hydrogen 3.157 N/A TYR 283.A N GLN 270.A O no hydrogen 2.694 N/A TYR 283.A OH LEU 73.A O no hydrogen 3.203 N/A ILE 287.A N GLU 241.A OE1 no hydrogen 3.078 N/A ILE 291.A N ARG 182.A O no hydrogen 2.955 N/A ASN 292.A ND2 ASN 179.A OD1 no hydrogen 2.830 N/A ASN 292.A ND2 CYS 180.A O no hydrogen 2.554 N/A CYS 293.A N CYS 180.A O no hydrogen 2.933 N/A SER 295.A N ILE 178.A O no hydrogen 3.031 N/A ASN 296.A N ASN 146.A OD1 no hydrogen 3.016 N/A ILE 297.A N VAL 176.A O no hydrogen 2.953 N/A THR 298.A N LEU 144.A O no hydrogen 2.883 N/A THR 298.A OG1 LEU 144.A O no hydrogen 3.246 N/A GLY 299.A N LEU 144.A O no hydrogen 3.347 N/A ILE 300.A N VAL 170.A O no hydrogen 2.850 N/A LEU 301.A N GLN 142.A O no hydrogen 2.946 N/A LEU 302.A N ILE 168.A O no hydrogen 2.728 N/A THR 303.A N ARG 317.A O no hydrogen 2.896 N/A THR 303.A OG1 GLY 319.A O no hydrogen 2.900 N/A ARG 304.A NH1 GLU 314.A OE1 no hydrogen 3.101 N/A ARG 304.A NH2 LEU 161.A O no hydrogen 3.523 N/A ASP 305.A N THR 315.A O no hydrogen 2.814 N/A ASN 309.A N GLY 307.A O no hydrogen 2.563 N/A THR 311.A OG1 ASN 310.A O no hydrogen 2.477 N/A THR 311.A OG1 ASN 313.A O no hydrogen 3.247 N/A GLU 314.A N THR 218.A O no hydrogen 2.964 N/A PHE 316.A N ILE 220.A O no hydrogen 2.924 N/A ARG 317.A N THR 303.A O no hydrogen 2.957 N/A ARG 317.A NE ASP 305.A OD1 no hydrogen 2.894 N/A ARG 317.A NH1 PRO 223.A O no hydrogen 2.952 N/A ARG 317.A NH2 ASP 305.A OD1 no hydrogen 3.395 N/A GLY 319.A N LEU 301.A O no hydrogen 2.530 N/A LYS 324.A NZ GLU 59.A OE1 no hydrogen 2.867 N/A ASP 325.A N ASN 322.A O no hydrogen 2.765 N/A ASN 326.A ND2 VAL 138.A O no hydrogen 3.534 N/A ASN 326.A ND2 SER 140.A O no hydrogen 2.936 N/A TRP 327.A N ILE 323.A O no hydrogen 3.040 N/A TRP 327.A NE1 GLN 62.A OE1 no hydrogen 2.913 N/A ARG 328.A N LYS 324.A O no hydrogen 2.870 N/A ARG 328.A NH1 ASP 325.A OD1 no hydrogen 2.879 N/A SER 329.A N ASP 325.A O no hydrogen 2.928 N/A SER 329.A OG ASN 326.A O no hydrogen 2.778 N/A GLU 330.A N TRP 327.A O no hydrogen 3.170 N/A LEU 331.A N TRP 327.A O no hydrogen 2.916 N/A TYR 334.A N LEU 331.A O no hydrogen 3.090 N/A TYR 334.A OH HIS 133.A ND1 no hydrogen 2.720 N/A LYS 335.A N LEU 110.A O no hydrogen 3.125 N/A LYS 335.A NZ ASP 4.A OD1 no hydrogen 2.783 N/A LYS 335.A NZ ASP 4.A OD2 no hydrogen 2.746 N/A LYS 335.A NZ GLU 48.A OE1 no hydrogen 2.448 N/A LYS 335.A NZ ASN 49.A O no hydrogen 3.119 N/A VAL 337.A N VAL 108.A O no hydrogen 3.086 N/A GLN 338.A N LYS 3.A O no hydrogen 2.701 N/A ILE 339.A N GLY 106.A O no hydrogen 3.046 N/A GLU 340.A N VAL 1.A O no hydrogen 2.740 N/A