Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wjr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N HIS 7.A ND1 no hydrogen 2.992 N/A GLU 6.A N GLU 6.A OE1 no hydrogen 2.742 N/A HIS 7.A N LYS 4.A O no hydrogen 2.987 N/A GLY 8.A N LEU 5.A O no hydrogen 3.071 N/A ALA 9.A N GLU 6.A O no hydrogen 3.162 N/A GLU 12.A N PRO 327.A O no hydrogen 3.104 N/A ILE 13.A N GLU 328.A O no hydrogen 3.282 N/A GLU 15.A N GLY 11.A O no hydrogen 3.017 N/A GLU 16.A N GLU 12.A O no hydrogen 3.035 N/A LEU 17.A N ILE 13.A O no hydrogen 3.256 N/A LEU 18.A N MET 14.A O no hydrogen 2.872 N/A ARG 19.A N GLU 15.A O no hydrogen 2.996 N/A ARG 19.A NH2 GLU 15.A OE2 no hydrogen 3.429 N/A ASP 20.A N GLU 16.A O no hydrogen 2.906 N/A VAL 21.A N LEU 17.A O no hydrogen 2.892 N/A ILE 22.A N LEU 17.A O no hydrogen 3.280 N/A LEU 23.A N LEU 18.A O no hydrogen 2.873 N/A LYS 24.A NZ ASP 20.A OD1 no hydrogen 3.534 N/A THR 25.A N VAL 21.A O no hydrogen 3.075 N/A THR 25.A N ILE 22.A O no hydrogen 3.239 N/A THR 25.A OG1 VAL 21.A O no hydrogen 2.704 N/A LEU 26.A N ILE 22.A O no hydrogen 3.033 N/A LYS 29.A NZ LEU 23.A O no hydrogen 2.906 N/A LYS 29.A NZ ASP 37.A OD1 no hydrogen 2.723 N/A LYS 29.A NZ ASP 37.A OD2 no hydrogen 3.460 N/A SER 30.A OG GLY 33.A O no hydrogen 3.193 N/A GLY 32.A N SER 30.A OG no hydrogen 2.994 N/A ILE 34.A N THR 44.A OG1 no hydrogen 2.883 N/A LEU 36.A N LYS 29.A O no hydrogen 2.852 N/A ALA 38.A N GLY 35.A O no hydrogen 3.184 N/A LEU 39.A N LEU 36.A O no hydrogen 2.915 N/A ASP 41.A N ASP 40.A OD1 no hydrogen 2.740 N/A ALA 43.A N PHE 54.A O no hydrogen 2.942 N/A THR 44.A N ILE 34.A O no hydrogen 2.947 N/A ILE 45.A N ILE 52.A O no hydrogen 2.795 N/A PHE 47.A N LYS 50.A O no hydrogen 2.822 N/A LYS 50.A N PHE 47.A O no hydrogen 3.023 N/A HIS 51.A N ALA 150.A O no hydrogen 3.005 N/A ILE 52.A N ILE 45.A O no hydrogen 2.770 N/A VAL 53.A N GLY 148.A O no hydrogen 2.845 N/A PHE 54.A N ALA 43.A O no hydrogen 2.996 N/A THR 55.A N GLY 146.A O no hydrogen 3.075 N/A THR 55.A OG1 ASP 41.A O no hydrogen 3.160 N/A ASP 57.A N THR 144.A O no hydrogen 2.951 N/A HIS 59.A N VAL 142.A O no hydrogen 2.733 N/A THR 60.A N CYS 336.A O no hydrogen 2.879 N/A THR 60.A N CYS 336.A OXT no hydrogen 3.447 N/A THR 60.A OG1 CYS 336.A OXT no hydrogen 3.252 N/A LYS 62.A N ARG 334.A O no hydrogen 3.406 N/A LYS 62.A NZ ILE 138.A O no hydrogen 2.697 N/A PHE 66.A N GLY 69.A O no hydrogen 3.051 N/A GLY 69.A N PHE 66.A O no hydrogen 3.080 N/A ILE 71.A N LEU 64.A O no hydrogen 2.852 N/A ARG 73.A N ASP 70.A OD1 no hydrogen 2.944 N/A ARG 73.A NE VAL 195.A O no hydrogen 2.803 N/A ARG 73.A NH1 GLU 121.A OE2 no hydrogen 2.960 N/A ARG 73.A NH2 GLU 121.A OE1 no hydrogen 3.106 N/A ARG 73.A NH2 GLU 121.A OE2 no hydrogen 3.485 N/A LEU 74.A N ASP 70.A O no hydrogen 2.948 N/A ALA 75.A N ILE 71.A O no hydrogen 2.903 N/A VAL 76.A N GLY 72.A O no hydrogen 3.169 N/A SER 77.A N ARG 73.A O no hydrogen 2.913 N/A SER 77.A OG ARG 73.A O no hydrogen 2.771 N/A GLY 78.A N LEU 74.A O no hydrogen 2.825 N/A THR 79.A OG1 ASP 57.A OD2 no hydrogen 3.528 N/A THR 79.A OG1 ALA 75.A O no hydrogen 3.536 N/A THR 79.A OG1 THR 144.A O no hydrogen 3.233 N/A THR 79.A OG1 THR 144.A OG1 no hydrogen 2.584 N/A VAL 80.A N VAL 76.A O no hydrogen 3.069 N/A ASN 81.A N SER 77.A O no hydrogen 2.810 N/A ASN 81.A ND2 ALA 196.A O no hydrogen 2.940 N/A ASP 82.A N GLY 78.A O no hydrogen 2.964 N/A LEU 83.A N THR 79.A O no hydrogen 3.109 N/A ALA 84.A N VAL 80.A O no hydrogen 2.897 N/A VAL 85.A N ASN 81.A O no hydrogen 2.992 N/A MET 86.A N LEU 83.A O no hydrogen 3.059 N/A GLY 87.A N ALA 84.A O no hydrogen 2.871 N/A ALA 88.A N LEU 83.A O no hydrogen 2.949 N/A GLU 89.A N ILE 149.A O no hydrogen 2.974 N/A ILE 91.A N ILE 147.A O no hydrogen 2.854 N/A ALA 92.A N ILE 147.A O no hydrogen 3.243 N/A LEU 93.A N PRO 125.A O no hydrogen 2.905 N/A ALA 94.A N ALA 145.A O no hydrogen 2.887 N/A ASN 95.A N THR 128.A O no hydrogen 2.956 N/A SER 96.A N ILE 143.A O no hydrogen 2.784 N/A MET 97.A N ASP 130.A O no hydrogen 2.845 N/A ILE 98.A N PHE 141.A O no hydrogen 2.970 N/A ILE 99.A N LYS 132.A O no hydrogen 2.833 N/A GLY 100.A N GLU 139.A O no hydrogen 2.903 N/A GLU 101.A N VAL 134.A O no hydrogen 2.785 N/A LEU 103.A N GLY 100.A O no hydrogen 3.177 N/A GLU 106.A N ASP 104.A OD1 no hydrogen 3.079 N/A VAL 107.A N ASP 104.A O no hydrogen 3.033 N/A LEU 108.A N ASP 104.A O no hydrogen 3.474 N/A LYS 109.A N MET 105.A O no hydrogen 2.969 N/A LYS 109.A NZ GLU 106.A OE2 no hydrogen 3.458 N/A ARG 110.A N GLU 106.A O no hydrogen 2.940 N/A VAL 111.A N VAL 107.A O no hydrogen 2.988 N/A LEU 112.A N LEU 108.A O no hydrogen 3.000 N/A LYS 113.A N LYS 109.A O no hydrogen 2.903 N/A SER 114.A N ARG 110.A O no hydrogen 3.051 N/A SER 114.A OG ASP 70.A OD1 no hydrogen 2.972 N/A SER 114.A OG ASP 70.A OD2 no hydrogen 2.676 N/A MET 115.A N VAL 111.A O no hydrogen 2.954 N/A ASP 116.A N LEU 112.A O no hydrogen 2.912 N/A GLU 117.A N LYS 113.A O no hydrogen 2.955 N/A THR 118.A N SER 114.A O no hydrogen 2.929 N/A THR 118.A OG1 SER 114.A O no hydrogen 2.760 N/A ALA 119.A N MET 115.A O no hydrogen 2.803 N/A ARG 120.A N ASP 116.A O no hydrogen 2.955 N/A GLU 121.A N THR 118.A O no hydrogen 3.041 N/A VAL 122.A N ALA 119.A O no hydrogen 3.116 N/A VAL 124.A N ALA 119.A O no hydrogen 3.014 N/A VAL 127.A N LEU 93.A O no hydrogen 2.973 N/A ASP 130.A N ASN 95.A O no hydrogen 2.935 N/A LYS 132.A N MET 97.A O no hydrogen 2.926 N/A LYS 132.A NZ ASP 130.A OD2 no hydrogen 2.951 N/A VAL 134.A N ILE 99.A O no hydrogen 2.823 N/A ILE 138.A N ASP 136.A O no hydrogen 3.019 N/A PHE 141.A N ILE 98.A O no hydrogen 2.842 N/A VAL 142.A N HIS 59.A O no hydrogen 3.142 N/A ILE 143.A N SER 96.A O no hydrogen 2.757 N/A THR 144.A N ASP 57.A O no hydrogen 3.002 N/A THR 144.A OG1 ALA 75.A O no hydrogen 2.926 N/A THR 144.A OG1 THR 79.A OG1 no hydrogen 2.584 N/A ALA 145.A N ALA 94.A O no hydrogen 3.025 N/A GLY 146.A N THR 55.A O no hydrogen 2.891 N/A ILE 147.A N ALA 92.A O no hydrogen 2.906 N/A GLY 148.A N VAL 53.A O no hydrogen 2.891 N/A ILE 149.A N GLU 89.A O no hydrogen 2.944 N/A ALA 150.A N HIS 51.A O no hydrogen 2.907 N/A VAL 154.A N MET 86.A O no hydrogen 2.913 N/A SER 155.A OG.B ASP 40.A OD2 no hydrogen 3.520 N/A ASP 156.A N ASP 40.A OD2 no hydrogen 3.073 N/A ALA 157.A N SER 155.A OG.A no hydrogen 3.035 N/A ALA 157.A N SER 155.A OG.B no hydrogen 2.887 N/A ALA 159.A N SER 236.A OG no hydrogen 2.968 N/A LYS 160.A N ASP 163.A OD2 no hydrogen 2.811 N/A GLY 162.A N VAL 304.A O no hydrogen 2.859 N/A ASP 163.A N LYS 160.A O no hydrogen 3.028 N/A ALA 164.A N VAL 277.A O no hydrogen 2.933 N/A VAL 165.A N GLY 302.A O no hydrogen 2.925 N/A LEU 166.A N MET 275.A O no hydrogen 2.736 N/A VAL 167.A N ALA 299.A O no hydrogen 2.977 N/A SER 168.A N VAL 273.A O no hydrogen 3.062 N/A THR 170.A OG1 ASP 173.A OD1 no hydrogen 2.841 N/A THR 170.A OG1 ASP 173.A OD2 no hydrogen 3.140 N/A ILE 171.A N PRO 248.A O no hydrogen 2.933 N/A GLY 172.A N ASN 269.A OD1 no hydrogen 2.704 N/A HIS 174.A ND1 SER 193.A OG no hydrogen 2.704 N/A HIS 174.A NE2 ILE 335.A O no hydrogen 2.874 N/A GLY 175.A N ALA 268.A O no hydrogen 2.975 N/A ILE 176.A N GLY 172.A O no hydrogen 3.020 N/A ALA 177.A N ASP 173.A O no hydrogen 2.921 N/A LEU 178.A N HIS 174.A O no hydrogen 3.022 N/A MET 179.A N GLY 175.A O no hydrogen 3.060 N/A SER 180.A N ILE 176.A O no hydrogen 2.806 N/A SER 180.A OG ILE 176.A O no hydrogen 2.765 N/A HIS 181.A N ALA 177.A O no hydrogen 2.928 N/A HIS 181.A ND1 GLU 190.A OE1.A no hydrogen 2.763 N/A ARG 182.A N LEU 178.A O no hydrogen 3.085 N/A ARG 182.A NH1 PRO 333.A O no hydrogen 2.686 N/A ARG 182.A NH2 LYS 62.A O no hydrogen 2.929 N/A ARG 182.A NH2 PRO 333.A O no hydrogen 2.774 N/A GLU 183.A N MET 179.A O no hydrogen 3.001 N/A GLY 184.A N HIS 181.A O no hydrogen 3.316 N/A ILE 185.A N SER 180.A O no hydrogen 2.902 N/A PHE 187.A N THR 189.A O no hydrogen 3.103 N/A THR 189.A OG1 GLU 190.A O.B no hydrogen 3.538 N/A LYS 192.A NZ GLU 190.A O.A no hydrogen 2.700 N/A LYS 192.A NZ GLU 190.A O.B no hydrogen 2.777 N/A SER 193.A N PRO 67.A O no hydrogen 2.875 N/A SER 193.A OG HIS 174.A ND1 no hydrogen 2.704 N/A VAL 195.A N SER 193.A OG no hydrogen 3.018 N/A ALA 196.A N GLU 270.A O no hydrogen 3.216 N/A ILE 198.A N ASN 81.A OD1 no hydrogen 2.676 N/A VAL 201.A N ILE 198.A O no hydrogen 3.066 N/A VAL 202.A N ILE 198.A O no hydrogen 3.313 N/A LYS 203.A N TRP 199.A O no hydrogen 2.882 N/A ALA 204.A N ASP 200.A O no hydrogen 3.001 N/A VAL 205.A N VAL 201.A O no hydrogen 3.244 N/A ALA 206.A N VAL 202.A O no hydrogen 3.040 N/A GLU 207.A N LYS 203.A O no hydrogen 2.832 N/A THR 208.A N VAL 205.A O no hydrogen 2.929 N/A THR 208.A OG1 ALA 204.A O no hydrogen 3.063 N/A ILE 209.A N VAL 205.A O no hydrogen 2.832 N/A GLY 210.A N ALA 206.A O no hydrogen 2.823 N/A GLU 212.A N GLU 212.A OE1 no hydrogen 2.675 N/A ASN 213.A N GLY 210.A O no hydrogen 3.065 N/A ASN 213.A ND2 ILE 209.A O no hydrogen 2.755 N/A ILE 214.A N TRP 211.A O no hydrogen 3.040 N/A HIS 215.A N VAL 276.A O no hydrogen 2.779 N/A HIS 215.A ND1 ASP 163.A OD2 no hydrogen 2.596 N/A ALA 216.A N VAL 276.A O no hydrogen 3.273 N/A MET 217.A N SER 155.A O.A no hydrogen 3.285 N/A MET 217.A N SER 155.A O.B no hydrogen 3.209 N/A LYS 218.A N.A VAL 274.A O no hydrogen 3.099 N/A LYS 218.A N.B VAL 274.A O no hydrogen 3.098 N/A LYS 218.A NZ.A ASP 41.A OD2 no hydrogen 3.132 N/A LYS 218.A NZ.A ASP 156.A OD2 no hydrogen 2.674 N/A LYS 218.A NZ.B ASP 41.A OD2 no hydrogen 2.975 N/A LYS 218.A NZ.B ASP 156.A OD2 no hydrogen 2.743 N/A ASP 219.A N ASP 41.A OD1 no hydrogen 3.435 N/A THR 221.A N ASP 219.A O no hydrogen 2.756 N/A THR 221.A OG1 ASP 219.A O no hydrogen 3.506 N/A ARG 222.A NH1 GLY 8.A O no hydrogen 2.466 N/A ALA 223.A N ASP 330.A OD2 no hydrogen 3.151 N/A GLY 224.A N THR 221.A O no hydrogen 2.852 N/A SER 226.A N.A TYR 265.A O no hydrogen 2.876 N/A SER 226.A N.B TYR 265.A O no hydrogen 2.894 N/A SER 226.A OG.A GLU 325.A O no hydrogen 2.748 N/A SER 226.A OG.B ALA 223.A O no hydrogen 3.386 N/A SER 226.A OG.B TYR 265.A O no hydrogen 3.124 N/A SER 226.A OG.B ASP 266.A OD1 no hydrogen 2.659 N/A ASN 227.A N ALA 223.A O no hydrogen 3.296 N/A ALA 228.A N GLY 224.A O no hydrogen 3.138 N/A LEU 229.A N LEU 225.A O no hydrogen 2.964 N/A ASN 230.A N SER 226.A O.A no hydrogen 3.056 N/A ASN 230.A N SER 226.A O.B no hydrogen 3.135 N/A ASN 230.A ND2 SER 226.A O.A no hydrogen 2.864 N/A ASN 230.A ND2 SER 226.A O.B no hydrogen 2.725 N/A ASN 230.A ND2 MET 324.A O no hydrogen 2.966 N/A GLU 231.A N ASN 227.A O no hydrogen 2.934 N/A ILE 232.A N ALA 228.A O no hydrogen 3.020 N/A ALA 233.A N LEU 229.A O no hydrogen 2.927 N/A ARG 234.A N.A ASN 230.A O no hydrogen 2.931 N/A ARG 234.A N.B ASN 230.A O no hydrogen 2.933 N/A ARG 234.A NE.A GLU 231.A OE2 no hydrogen 3.190 N/A ARG 234.A NH1.B GLU 12.A OE2 no hydrogen 3.015 N/A ARG 234.A NH1.B GLU 231.A OE2 no hydrogen 2.997 N/A ARG 234.A NH2.A GLU 231.A OE1 no hydrogen 2.712 N/A ARG 234.A NH2.A GLU 231.A OE2 no hydrogen 3.204 N/A LYS 235.A N GLU 231.A O no hydrogen 2.889 N/A LYS 235.A NZ ALA 38.A O no hydrogen 2.965 N/A LYS 235.A NZ LEU 39.A O no hydrogen 2.714 N/A LYS 235.A NZ ASP 156.A OD2 no hydrogen 2.786 N/A SER 236.A N ILE 232.A O no hydrogen 2.891 N/A SER 236.A OG ASP 156.A O no hydrogen 3.475 N/A SER 236.A OG ILE 232.A O no hydrogen 3.045 N/A ASN 237.A N ARG 234.A O.B no hydrogen 3.027 N/A VAL 238.A N ALA 233.A O no hydrogen 2.981 N/A GLY 239.A N ILE 305.A O no hydrogen 2.940 N/A ILE 240.A N LYS 311.A O no hydrogen 2.991 N/A LEU 241.A N GLU 303.A O no hydrogen 2.918 N/A VAL 242.A N LEU 313.A O no hydrogen 2.805 N/A ARG 243.A N ILE 301.A O no hydrogen 2.912 N/A GLU 244.A N GLU 315.A O no hydrogen 2.997 N/A ASP 246.A N ARG 243.A O no hydrogen 2.925 N/A ILE 247.A N GLU 244.A O no hydrogen 3.162 N/A ARG 250.A NE ASP 173.A OD2 no hydrogen 2.807 N/A ARG 250.A NH2 THR 170.A OG1 no hydrogen 3.151 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.703 N/A ARG 254.A N ARG 250.A O no hydrogen 2.896 N/A ALA 255.A N PRO 251.A O no hydrogen 3.035 N/A ALA 256.A N GLU 252.A O no hydrogen 2.919 N/A SER 257.A N VAL 253.A O no hydrogen 2.882 N/A SER 257.A OG VAL 253.A O no hydrogen 3.278 N/A SER 257.A OG ARG 254.A O no hydrogen 2.914 N/A GLU 258.A N ARG 254.A O no hydrogen 3.131 N/A MET 259.A N ALA 255.A O no hydrogen 3.153 N/A LEU 260.A N ALA 256.A O no hydrogen 2.893 N/A GLY 261.A N GLU 258.A O no hydrogen 3.191 N/A ILE 262.A N SER 257.A O no hydrogen 3.106 N/A TYR 265.A N SER 263.A OG no hydrogen 3.105 N/A TYR 265.A OH GLU 244.A OE2 no hydrogen 2.755 N/A ASP 266.A N SER 263.A O no hydrogen 3.075 N/A ASN 269.A N PRO 220.A O no hydrogen 3.111 N/A ASN 269.A ND2 PRO 220.A O no hydrogen 3.112 N/A GLU 270.A N ASP 194.A OD1 no hydrogen 3.010 N/A GLY 271.A N ASP 194.A OD2 no hydrogen 3.130 N/A LYS 272.A NZ THR 170.A O no hydrogen 2.661 N/A LYS 272.A NZ ASP 194.A OD2 no hydrogen 2.779 N/A VAL 273.A N SER 168.A OG no hydrogen 2.961 N/A VAL 274.A N LYS 218.A O.A no hydrogen 3.108 N/A VAL 274.A N LYS 218.A O.B no hydrogen 3.112 N/A MET 275.A N LEU 166.A O no hydrogen 2.899 N/A VAL 276.A N ALA 216.A O no hydrogen 2.832 N/A VAL 277.A N ALA 164.A O no hydrogen 2.966 N/A ALA 278.A N ASN 213.A O no hydrogen 2.971 N/A ARG 279.A NH1 GLY 162.A O no hydrogen 3.100 N/A GLU 280.A N GLU 280.A OE2 no hydrogen 2.456 N/A TYR 281.A N ALA 278.A O no hydrogen 2.797 N/A ALA 282.A N ARG 279.A O no hydrogen 3.294 N/A ALA 285.A N TYR 281.A O no hydrogen 2.857 N/A LEU 286.A N ALA 282.A O no hydrogen 2.958 N/A GLU 287.A N GLU 283.A O no hydrogen 3.021 N/A ALA 288.A N GLU 284.A O no hydrogen 2.992 N/A MET 289.A N ALA 285.A O no hydrogen 3.064 N/A ARG 290.A N LEU 286.A O no hydrogen 2.981 N/A ARG 290.A NH1 ALA 298.A O no hydrogen 2.913 N/A LYS 291.A N GLU 287.A O no hydrogen 3.087 N/A THR 292.A N MET 289.A O no hydrogen 2.937 N/A THR 292.A OG1 MET 289.A O no hydrogen 2.658 N/A LYS 294.A NZ GLU 121.A OE1 no hydrogen 3.386 N/A LYS 294.A NZ PRO 197.A O no hydrogen 2.839 N/A GLY 295.A N THR 292.A OG1 no hydrogen 2.974 N/A ARG 296.A N GLU 293.A O no hydrogen 3.386 N/A ARG 296.A NE GLU 293.A OE2 no hydrogen 3.207 N/A ALA 298.A N GLY 295.A O no hydrogen 2.960 N/A ALA 299.A N VAL 167.A O no hydrogen 2.971 N/A ILE 301.A N VAL 165.A O no hydrogen 2.768 N/A GLY 302.A N VAL 165.A O no hydrogen 3.287 N/A GLU 303.A N LEU 241.A O no hydrogen 2.920 N/A VAL 304.A N ASP 163.A O no hydrogen 2.869 N/A ILE 305.A N GLY 239.A O no hydrogen 2.801 N/A GLY 310.A N VAL 238.A O no hydrogen 2.727 N/A LYS 311.A N TYR 308.A O no hydrogen 2.965 N/A LEU 313.A N ILE 240.A O no hydrogen 2.744 N/A LEU 314.A N ARG 322.A O no hydrogen 2.692 N/A GLU 315.A N VAL 242.A O no hydrogen 2.703 N/A THR 316.A N GLY 320.A O no hydrogen 2.813 N/A GLY 319.A N THR 316.A O no hydrogen 3.021 N/A LYS 321.A NZ GLY 319.A O no hydrogen 2.687 N/A ARG 322.A N LEU 314.A O no hydrogen 3.048 N/A ARG 322.A NH1 GLU 244.A OE1 no hydrogen 3.161 N/A ARG 322.A NH2 GLU 244.A OE1 no hydrogen 3.268 N/A MET 324.A N VAL 312.A O no hydrogen 2.869 N/A ASP 330.A N ALA 9.A O no hydrogen 2.851 N/A VAL 332.A N ASP 330.A OD1 no hydrogen 3.054 N/A ARG 334.A NE THR 60.A O no hydrogen 2.709 N/A ARG 334.A NH2 THR 60.A O no hydrogen 3.240 N/A