Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4koa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASP 65.A OD2 no hydrogen 2.818 N/A ARG 3.A NE ASP 65.A OD2 no hydrogen 3.014 N/A ARG 3.A NH2 ASP 65.A OD1 no hydrogen 3.011 N/A ARG 3.A NH2 ASP 65.A OD2 no hydrogen 3.462 N/A TRP 4.A N GLU 27.A O.A no hydrogen 2.731 N/A TRP 4.A N GLU 27.A O.B no hydrogen 2.790 N/A TRP 4.A NE1 HIS 291.A NE2 no hydrogen 3.076 N/A GLY 5.A N ALA 66.A O no hydrogen 2.789 N/A LEU 6.A N SER 30.A O no hydrogen 2.905 N/A ILE 7.A N TYR 68.A O no hydrogen 2.853 N/A GLY 8.A N MET 32.A O no hydrogen 2.963 N/A SER 10.A OG SER 70.A OG no hydrogen 2.617 N/A ALA 13.A N SER 10.A OG no hydrogen 3.024 N/A ARG 14.A N SER 10.A O no hydrogen 3.169 N/A GLU 15.A N THR 11.A O.A no hydrogen 2.788 N/A GLU 15.A N THR 11.A O.B no hydrogen 2.783 N/A TRP 16.A N ILE 12.A O no hydrogen 2.868 N/A VAL 17.A N ILE 12.A O no hydrogen 3.112 N/A ILE 18.A N ALA 13.A O no hydrogen 2.871 N/A ALA 20.A N TRP 16.A O no hydrogen 3.183 N/A ILE 21.A N VAL 17.A O no hydrogen 2.848 N/A ARG 22.A N ILE 18.A O no hydrogen 3.160 N/A ARG 22.A NE GLU 27.A OE2.A no hydrogen 2.984 N/A ARG 22.A NH1 ASN 46.A O no hydrogen 2.987 N/A ARG 22.A NH2 GLU 27.A OE2.A no hydrogen 3.416 N/A ARG 22.A NH2 ASN 46.A O no hydrogen 3.234 N/A ALA 23.A N GLY 19.A O no hydrogen 2.773 N/A ALA 24.A N ALA 20.A O no hydrogen 2.946 N/A ALA 24.A N ILE 21.A O no hydrogen 3.239 N/A GLY 25.A N ARG 22.A O no hydrogen 3.041 N/A GLY 26.A N ILE 21.A O no hydrogen 2.899 N/A GLU 27.A N.A ILE 2.A O no hydrogen 3.044 N/A GLU 27.A N.B ILE 2.A O no hydrogen 2.992 N/A VAL 28.A N GLU 27.A OE2.A no hydrogen 2.863 N/A VAL 29.A N TRP 4.A O no hydrogen 2.870 N/A SER 30.A OG LYS 50.A O no hydrogen 3.466 N/A VAL 31.A N LYS 50.A O no hydrogen 2.972 N/A MET 32.A N LEU 6.A O no hydrogen 2.772 N/A SER 33.A N VAL 52.A O no hydrogen 3.086 N/A SER 33.A OG SER 35.A O no hydrogen 3.252 N/A SER 35.A N SER 33.A OG no hydrogen 3.158 N/A ARG 38.A N SER 35.A OG no hydrogen 2.912 N/A GLY 39.A N SER 35.A O no hydrogen 2.957 N/A GLU 40.A N ALA 36.A O no hydrogen 3.009 N/A ALA 41.A N GLU 37.A O no hydrogen 3.076 N/A TYR 42.A N ARG 38.A O no hydrogen 2.795 N/A TYR 42.A OH SER 10.A O no hydrogen 2.581 N/A ALA 43.A N GLY 39.A O no hydrogen 2.735 N/A ALA 44.A N GLU 40.A O no hydrogen 2.928 N/A GLU 45.A N ALA 41.A O no hydrogen 2.860 N/A ASN 46.A N TYR 42.A O no hydrogen 3.006 N/A ASN 46.A ND2 TYR 42.A O no hydrogen 3.082 N/A GLY 47.A N ALA 44.A O no hydrogen 3.466 N/A ILE 48.A N ALA 43.A O no hydrogen 2.915 N/A LYS 50.A NZ ASP 61.A OD2 no hydrogen 3.221 N/A VAL 52.A N VAL 31.A O no hydrogen 2.804 N/A ASP 57.A N SER 54.A OG no hydrogen 2.934 N/A LEU 58.A N SER 54.A O no hydrogen 3.247 N/A LEU 58.A N VAL 55.A O no hydrogen 2.972 N/A VAL 59.A N VAL 55.A O no hydrogen 2.900 N/A GLY 60.A N ASP 56.A O no hydrogen 2.887 N/A ASP 61.A N LEU 58.A O no hydrogen 3.373 N/A ASP 63.A N ASP 61.A OD1 no hydrogen 2.869 N/A VAL 64.A N ASP 61.A O no hydrogen 3.122 N/A ASP 65.A N ARG 3.A O no hydrogen 2.761 N/A ALA 66.A N ARG 3.A O no hydrogen 3.167 N/A VAL 67.A N HIS 89.A O no hydrogen 2.798 N/A TYR 68.A N GLY 5.A O no hydrogen 2.957 N/A TYR 68.A OH GLU 93.A OE2 no hydrogen 2.582 N/A ILE 69.A N LEU 91.A O no hydrogen 3.045 N/A SER 70.A N ILE 7.A O no hydrogen 2.938 N/A SER 70.A OG SER 10.A OG no hydrogen 2.617 N/A THR 71.A OG1 GLN 79.A OE1 no hydrogen 2.671 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.664 N/A LEU 75.A N THR 72.A O no hydrogen 2.936 N/A HIS 76.A N ASN 73.A O no hydrogen 3.244 N/A HIS 76.A ND1 PRO 95.A O no hydrogen 2.606 N/A HIS 76.A NE2 THR 71.A O no hydrogen 2.676 N/A HIS 77.A NE2 GLU 105.A OE1 no hydrogen 2.748 N/A GLN 79.A N LEU 75.A O no hydrogen 3.130 N/A ALA 80.A N HIS 76.A O no hydrogen 2.883 N/A LEU 81.A N HIS 77.A O no hydrogen 2.994 N/A ALA 82.A N GLY 78.A O no hydrogen 3.072 N/A ALA 83.A N GLN 79.A O no hydrogen 3.154 N/A ILE 84.A N ALA 80.A O no hydrogen 2.966 N/A ARG 85.A N LEU 81.A O no hydrogen 2.948 N/A ARG 85.A NH1 ASP 56.A OD1 no hydrogen 3.371 N/A ALA 86.A N ALA 82.A O no hydrogen 3.030 N/A GLY 87.A N ILE 84.A O no hydrogen 3.007 N/A LYS 88.A N ALA 83.A O no hydrogen 2.830 N/A LYS 88.A NZ VAL 59.A O no hydrogen 2.911 N/A LYS 88.A NZ ASP 61.A O no hydrogen 2.863 N/A LYS 88.A NZ VAL 64.A O no hydrogen 2.790 N/A HIS 89.A N ASP 65.A O no hydrogen 3.468 N/A VAL 90.A N VAL 116.A O no hydrogen 2.934 N/A LEU 91.A N VAL 67.A O no hydrogen 2.924 N/A CYS 92.A N GLY 118.A O no hydrogen 2.848 N/A CYS 92.A SG HIS 76.A ND1 no hydrogen 3.768 N/A CYS 92.A SG GLU 93.A O no hydrogen 3.331 N/A CYS 92.A SG PRO 95.A O no hydrogen 3.875 N/A GLU 93.A N ILE 69.A O no hydrogen 2.979 N/A LYS 94.A NZ ASP 176.A OD1.B no hydrogen 3.455 N/A ASN 99.A ND2 ASP 102.A OD2 no hydrogen 3.098 N/A ASN 101.A ND2.A ASP 102.A OD1 no hydrogen 3.545 N/A ASP 102.A N ASN 99.A OD1 no hydrogen 2.971 N/A GLY 103.A N ASN 99.A O no hydrogen 3.114 N/A CYS 104.A N LEU 100.A O no hydrogen 2.788 N/A CYS 104.A SG LEU 100.A O no hydrogen 3.445 N/A CYS 104.A SG THR 331.A O no hydrogen 3.365 N/A GLU 105.A N ASN 101.A O.A no hydrogen 2.941 N/A GLU 105.A N ASN 101.A O.B no hydrogen 2.971 N/A MET 106.A N.A ASP 102.A O no hydrogen 3.128 N/A MET 106.A N.B ASP 102.A O no hydrogen 3.119 N/A VAL 107.A N GLY 103.A O no hydrogen 3.260 N/A LEU 108.A N CYS 104.A O no hydrogen 3.161 N/A LYS 109.A N GLU 105.A O no hydrogen 2.874 N/A LYS 109.A NZ GLU 105.A OE2 no hydrogen 3.034 N/A ALA 110.A N MET 106.A O.A no hydrogen 2.853 N/A ALA 110.A N MET 106.A O.B no hydrogen 2.934 N/A CYS 111.A N VAL 107.A O no hydrogen 2.964 N/A GLU 112.A N LEU 108.A O no hydrogen 2.760 N/A ALA 113.A N LYS 109.A O no hydrogen 2.709 N/A GLY 114.A N CYS 111.A O no hydrogen 3.157 N/A VAL 115.A N ALA 110.A O no hydrogen 3.060 N/A VAL 116.A N HIS 89.A ND1 no hydrogen 2.976 N/A GLY 118.A N VAL 90.A O no hydrogen 2.724 N/A THR 119.A N ALA 302.A O no hydrogen 2.968 N/A THR 119.A OG1 SER 303.A O no hydrogen 2.789 N/A ASN 120.A N CYS 92.A O no hydrogen 2.728 N/A ASN 120.A ND2 GLU 93.A OE2 no hydrogen 2.636 N/A HIS 121.A N THR 119.A O no hydrogen 2.901 N/A HIS 121.A ND1 HIS 180.A ND1 no hydrogen 3.093 N/A HIS 121.A NE2 SER 310.A OG no hydrogen 2.748 N/A ARG 124.A NE ASP 183.A OD2 no hydrogen 2.880 N/A ARG 124.A NH1 SER 301.A O no hydrogen 3.035 N/A ARG 124.A NH2 ASP 183.A OD1 no hydrogen 2.952 N/A ASN 125.A N HIS 122.A O no hydrogen 2.993 N/A ASN 125.A ND2 HIS 122.A O no hydrogen 3.142 N/A ALA 126.A N LEU 123.A O no hydrogen 2.859 N/A HIS 129.A NE2 VAL 255.A O no hydrogen 2.857 N/A ARG 130.A N ALA 126.A O no hydrogen 3.067 N/A ARG 130.A NH1 ASN 125.A O no hydrogen 3.570 N/A ALA 131.A N ALA 127.A O no hydrogen 2.933 N/A MET 132.A N THR 128.A O no hydrogen 3.099 N/A ARG 133.A N HIS 129.A O no hydrogen 2.973 N/A ARG 133.A NE PHE 187.A O no hydrogen 2.722 N/A ARG 133.A NH2 PHE 187.A O no hydrogen 2.752 N/A ARG 133.A NH2 ASN 190.A OD1 no hydrogen 3.533 N/A GLU 134.A N ARG 130.A O no hydrogen 2.950 N/A ALA 135.A N ALA 131.A O no hydrogen 2.765 N/A ILE 136.A N MET 132.A O no hydrogen 2.903 N/A ALA 137.A N ARG 133.A O no hydrogen 3.017 N/A ALA 138.A N GLU 134.A O no hydrogen 2.939 N/A GLY 139.A N ILE 136.A O no hydrogen 3.002 N/A ARG 140.A N ALA 135.A O no hydrogen 2.992 N/A GLY 142.A N GLY 139.A O no hydrogen 3.088 N/A ARG 143.A N THR 246.A OG1 no hydrogen 2.756 N/A ILE 145.A N HIS 244.A O no hydrogen 2.779 N/A ALA 146.A N HIS 244.A O no hydrogen 3.100 N/A ALA 147.A N ILE 225.A O no hydrogen 2.832 N/A ARG 148.A N GLU 242.A O no hydrogen 2.979 N/A ARG 148.A NH1 GLU 242.A OE1 no hydrogen 3.012 N/A VAL 149.A N GLN 227.A O no hydrogen 2.685 N/A PHE 150.A N GLY 240.A O no hydrogen 2.809 N/A HIS 151.A N HIS 229.A O no hydrogen 2.801 N/A HIS 151.A ND1 ASP 181.A OD1 no hydrogen 2.772 N/A VAL 153.A N ALA 231.A O no hydrogen 2.991 N/A LEU 155.A N PHE 232.A O no hydrogen 2.874 N/A HIS 158.A NE2 LYS 166.A O no hydrogen 2.596 N/A ARG 163.A N ASP 165.A OD1 no hydrogen 2.897 N/A GLY 170.A N GLU 168.A O no hydrogen 2.676 N/A VAL 173.A N GLU 211.A O no hydrogen 3.111 N/A ASP 176.A N.A GLY 172.A O no hydrogen 2.923 N/A ASP 176.A N.B GLY 172.A O no hydrogen 2.886 N/A ILE 177.A N VAL 173.A O no hydrogen 2.726 N/A THR 178.A N VAL 173.A O no hydrogen 3.137 N/A THR 178.A OG1 ASP 230.A OD2 no hydrogen 2.630 N/A ASP 181.A N ILE 177.A O no hydrogen 3.222 N/A ALA 182.A N THR 178.A O no hydrogen 2.866 N/A ASP 183.A N VAL 179.A O no hydrogen 3.015 N/A THR 184.A N HIS 180.A O no hydrogen 3.031 N/A THR 184.A OG1 HIS 180.A O no hydrogen 2.825 N/A LEU 185.A N ASP 181.A O no hydrogen 2.928 N/A ARG 186.A N ALA 182.A O no hydrogen 3.016 N/A ARG 186.A NE ASP 192.A OD1 no hydrogen 2.863 N/A ARG 186.A NH1 ASP 306.A OD1 no hydrogen 2.879 N/A ARG 186.A NH2 ASP 192.A OD1 no hydrogen 2.931 N/A PHE 187.A N ASP 183.A O no hydrogen 3.026 N/A VAL 188.A N THR 184.A O no hydrogen 2.809 N/A LEU 189.A N LEU 185.A O no hydrogen 2.795 N/A ASN 190.A N PHE 187.A O no hydrogen 3.422 N/A ASP 191.A N ARG 186.A O no hydrogen 3.382 N/A ILE 194.A N ARG 219.A O no hydrogen 2.682 N/A GLU 195.A N ARG 219.A O no hydrogen 3.396 N/A ALA 196.A N VAL 327.A O no hydrogen 2.854 N/A VAL 197.A N VAL 217.A O no hydrogen 2.997 N/A ILE 199.A N MET 215.A O no hydrogen 2.930 N/A SER 200.A OG GLU 211.A OE2 no hydrogen 2.691 N/A HIS 201.A N GLY 213.A O no hydrogen 2.789 N/A HIS 201.A ND1 ASP 212.A OD1 no hydrogen 2.723 N/A ALA 203.A N LEU 210.A O no hydrogen 3.056 N/A ASP 212.A N HIS 201.A O no hydrogen 2.858 N/A GLY 213.A N HIS 201.A O no hydrogen 3.321 N/A VAL 214.A N ASP 230.A O no hydrogen 2.842 N/A MET 215.A N ILE 199.A O no hydrogen 2.983 N/A GLY 216.A N PHE 228.A O no hydrogen 3.076 N/A VAL 217.A N VAL 197.A O no hydrogen 2.824 N/A LEU 218.A N ALA 226.A O no hydrogen 2.770 N/A ARG 219.A N GLU 195.A O no hydrogen 2.916 N/A ARG 219.A NE GLU 195.A OE2 no hydrogen 2.546 N/A ARG 219.A NH2 GLU 195.A OE2 no hydrogen 2.975 N/A PHE 220.A N VAL 224.A O no hydrogen 2.828 N/A ARG 221.A N ASP 192.A O no hydrogen 2.836 N/A ARG 221.A NH2.A ASP 192.A OD2 no hydrogen 3.077 N/A SER 222.A N ASP 191.A OD2 no hydrogen 2.919 N/A SER 222.A OG ASP 191.A OD2 no hydrogen 3.269 N/A GLY 223.A N PHE 220.A O no hydrogen 2.856 N/A VAL 224.A N SER 222.A OG no hydrogen 3.059 N/A ILE 225.A N ILE 145.A O no hydrogen 3.390 N/A ALA 226.A N LEU 218.A O no hydrogen 2.863 N/A GLN 227.A N ALA 147.A O no hydrogen 2.856 N/A PHE 228.A N GLY 216.A O no hydrogen 3.070 N/A HIS 229.A N VAL 149.A O no hydrogen 3.007 N/A ASP 230.A N VAL 214.A O no hydrogen 2.969 N/A ALA 231.A N HIS 151.A O no hydrogen 3.290 N/A PHE 232.A N ASP 212.A O no hydrogen 2.938 N/A THR 234.A N VAL 153.A O no hydrogen 3.167 N/A GLY 240.A N PHE 150.A O no hydrogen 2.974 N/A LEU 241.A N GLY 252.A O no hydrogen 2.947 N/A GLU 242.A N ARG 148.A O no hydrogen 2.872 N/A VAL 243.A N LEU 250.A O no hydrogen 2.923 N/A HIS 244.A N ALA 146.A O no hydrogen 2.760 N/A HIS 244.A ND1 SER 249.A OG no hydrogen 2.830 N/A HIS 244.A NE2 GLU 242.A OE1 no hydrogen 2.870 N/A GLY 245.A N GLY 248.A O no hydrogen 2.719 N/A THR 246.A N ARG 143.A O no hydrogen 2.873 N/A ALA 247.A N ILE 141.A O no hydrogen 2.962 N/A SER 249.A N ARG 267.A O no hydrogen 2.811 N/A SER 249.A OG HIS 244.A ND1 no hydrogen 2.830 N/A LEU 250.A N VAL 243.A O no hydrogen 2.715 N/A ILE 251.A N VAL 265.A O no hydrogen 2.831 N/A GLY 252.A N LEU 241.A O no hydrogen 2.777 N/A ARG 253.A N THR 263.A O no hydrogen 2.954 N/A ASN 254.A N THR 239.A O no hydrogen 2.833 N/A MET 256.A N THR 239.A OG1 no hydrogen 3.091 N/A THR 257.A OG1 ARG 259.A O.A no hydrogen 3.560 N/A GLN 258.A NE2 TYR 283.A OH no hydrogen 3.075 N/A ARG 259.A N.A THR 257.A OG1 no hydrogen 3.134 N/A ARG 259.A N.B THR 257.A OG1 no hydrogen 3.120 N/A VAL 261.A N ARG 259.A O.A no hydrogen 2.858 N/A VAL 261.A N ARG 259.A O.B no hydrogen 2.879 N/A THR 263.A N ARG 253.A O no hydrogen 3.001 N/A VAL 265.A N ILE 251.A O no hydrogen 2.938 N/A LEU 266.A N SER 273.A O no hydrogen 2.924 N/A ARG 267.A N SER 249.A O no hydrogen 2.876 N/A ASN 268.A N GLY 271.A O no hydrogen 2.861 N/A GLU 270.A N ASN 268.A OD1 no hydrogen 2.925 N/A GLY 271.A N ASN 268.A O no hydrogen 3.113 N/A SER 273.A N LEU 266.A O no hydrogen 3.103 N/A LEU 275.A N VAL 264.A O no hydrogen 2.769 N/A ARG 280.A NE THR 285.A OG1 no hydrogen 2.922 N/A TYR 283.A N ASN 281.A OD1 no hydrogen 2.896 N/A GLU 284.A N ASN 281.A OD1 no hydrogen 2.963 N/A THR 285.A N ASN 281.A O no hydrogen 3.155 N/A THR 285.A OG1 ASN 281.A O no hydrogen 3.050 N/A ALA 286.A N LEU 282.A O no hydrogen 3.068 N/A ILE 287.A N TYR 283.A O no hydrogen 2.962 N/A ALA 288.A N GLU 284.A O no hydrogen 3.063 N/A ALA 289.A N THR 285.A O no hydrogen 3.056 N/A PHE 290.A N ALA 286.A O no hydrogen 2.957 N/A HIS 291.A N ILE 287.A O no hydrogen 2.789 N/A HIS 291.A ND1 ALA 24.A O no hydrogen 3.127 N/A SER 292.A N ALA 288.A O no hydrogen 2.944 N/A SER 292.A OG ALA 288.A O no hydrogen 3.314 N/A ALA 293.A N ALA 289.A O no hydrogen 2.982 N/A ILE 294.A N PHE 290.A O no hydrogen 2.998 N/A GLY 295.A N HIS 291.A O no hydrogen 3.080 N/A GLY 296.A N ALA 293.A O no hydrogen 2.958 N/A ASN 297.A N SER 292.A O no hydrogen 2.845 N/A SER 301.A OG ASN 125.A OD1 no hydrogen 2.659 N/A SER 303.A N ASP 306.A OD2 no hydrogen 3.007 N/A SER 303.A OG GLU 305.A OE1 no hydrogen 3.436 N/A GLU 305.A N GLU 305.A OE1 no hydrogen 2.853 N/A ASP 306.A N SER 303.A OG no hydrogen 3.078 N/A GLY 307.A N SER 303.A O no hydrogen 3.147 N/A VAL 308.A N GLY 304.A O no hydrogen 2.934 N/A TRP 309.A N GLU 305.A O no hydrogen 2.912 N/A SER 310.A N ASP 306.A O no hydrogen 2.879 N/A SER 310.A OG HIS 121.A NE2 no hydrogen 2.748 N/A SER 310.A OG GLY 307.A O no hydrogen 3.186 N/A LEU 311.A N GLY 307.A O no hydrogen 3.013 N/A ALA 312.A N VAL 308.A O no hydrogen 2.894 N/A THR 313.A N TRP 309.A O no hydrogen 3.013 N/A THR 313.A OG1 TRP 309.A O no hydrogen 2.832 N/A GLY 314.A N SER 310.A O no hydrogen 2.908 N/A LEU 315.A N LEU 311.A O no hydrogen 2.912 N/A ALA 316.A N ALA 312.A O no hydrogen 2.988 N/A VAL 317.A N THR 313.A O no hydrogen 2.954 N/A VAL 318.A N GLY 314.A O no hydrogen 3.020 N/A LYS 319.A N LEU 315.A O no hydrogen 3.008 N/A ALA 320.A N ALA 316.A O no hydrogen 2.827 N/A ALA 321.A N VAL 317.A O no hydrogen 2.916 N/A ALA 322.A N VAL 318.A O no hydrogen 2.957 N/A THR 323.A N LYS 319.A O no hydrogen 2.821 N/A THR 323.A OG1 LYS 319.A O no hydrogen 2.754 N/A GLY 324.A N ALA 320.A O no hydrogen 2.832 N/A GLY 325.A N THR 323.A OG1 no hydrogen 3.135 N/A VAL 327.A N ALA 196.A O no hydrogen 2.896 N/A ILE 329.A N ILE 194.A O no hydrogen 2.968 N/A