Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s5j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 50.A O no hydrogen 3.015 N/A LYS 3.A NZ GLU 44.A OE1 no hydrogen 2.795 N/A LYS 3.A NZ GLU 44.A OE2 no hydrogen 3.248 N/A PHE 5.A N TYR 52.A O no hydrogen 2.893 N/A SER 6.A OG GLY 7.A O no hydrogen 3.055 N/A SER 6.A OG SER 14.A OG no hydrogen 3.000 N/A GLY 7.A N VAL 54.A O no hydrogen 2.848 N/A SER 8.A N GLU 67.A OE1 no hydrogen 2.305 N/A SER 8.A OG SER 56.A OG no hydrogen 2.601 N/A SER 8.A OG ASN 64.A OD1 no hydrogen 3.344 N/A SER 14.A OG SER 6.A OG no hydrogen 3.000 N/A GLN 15.A N GLN 11.A O no hydrogen 2.607 N/A GLN 15.A NE2 GLN 15.A O no hydrogen 3.361 N/A GLN 15.A NE2 ASP 19.A OD1 no hydrogen 3.089 N/A LYS 16.A N ASP 12.A O no hydrogen 2.997 N/A LYS 16.A NZ ASP 12.A OD1 no hydrogen 3.000 N/A LYS 16.A NZ ASP 12.A OD2 no hydrogen 2.856 N/A ILE 17.A N LEU 13.A O no hydrogen 2.944 N/A ALA 18.A N SER 14.A O no hydrogen 2.943 N/A ASP 19.A N GLN 15.A O no hydrogen 2.925 N/A ARG 20.A N LYS 16.A O no hydrogen 3.157 N/A ARG 20.A NE SER 284.A OG no hydrogen 2.974 N/A ARG 20.A NH2 ASP 282.A OD2 no hydrogen 3.163 N/A LEU 21.A N ILE 17.A O no hydrogen 3.257 N/A LEU 21.A N ALA 18.A O no hydrogen 3.138 N/A GLY 22.A N ASP 19.A O no hydrogen 3.169 N/A LEU 23.A N ALA 18.A O no hydrogen 2.847 N/A GLY 26.A N ILE 4.A O no hydrogen 2.733 N/A LYS 27.A N GLU 44.A OE2 no hydrogen 2.672 N/A VAL 29.A N GLU 41.A O no hydrogen 3.024 N/A THR 30.A OG1 SER 8.A O no hydrogen 3.284 N/A LYS 31.A N CYS 39.A O no hydrogen 2.868 N/A LYS 32.A NZ ASP 63.A OD2 no hydrogen 3.317 N/A PHE 33.A N GLU 37.A O no hydrogen 3.006 N/A GLN 36.A N PHE 33.A O no hydrogen 2.768 N/A CYS 39.A N LYS 31.A O no hydrogen 3.041 N/A GLY 43.A N LYS 27.A O no hydrogen 2.663 N/A ARG 47.A N SER 45.A OG no hydrogen 3.371 N/A GLY 48.A N SER 79.A O no hydrogen 3.019 N/A GLU 49.A N VAL 46.A O no hydrogen 2.939 N/A ASP 50.A N ASN 1.A O no hydrogen 2.787 N/A VAL 51.A N ARG 82.A O no hydrogen 2.849 N/A TYR 52.A N LYS 3.A O no hydrogen 2.839 N/A TYR 52.A OH ASP 50.A OD2 no hydrogen 2.814 N/A ILE 53.A N THR 84.A O no hydrogen 3.034 N/A VAL 54.A N PHE 5.A O no hydrogen 2.941 N/A GLN 55.A N VAL 86.A O no hydrogen 2.941 N/A GLN 55.A NE2 GLN 55.A O no hydrogen 2.366 N/A SER 56.A OG SER 8.A OG no hydrogen 2.601 N/A GLY 57.A N SER 56.A OG no hydrogen 2.689 N/A CYS 58.A SG SER 8.A OG no hydrogen 3.169 N/A GLU 60.A N CYS 58.A O no hydrogen 2.532 N/A ASP 63.A N GLU 60.A OE1 no hydrogen 2.980 N/A ASN 64.A N GLU 60.A O no hydrogen 2.970 N/A LEU 65.A N ILE 61.A O no hydrogen 2.975 N/A MET 66.A N ASN 62.A O no hydrogen 2.942 N/A GLU 67.A N ASP 63.A O no hydrogen 2.856 N/A LEU 68.A N ASN 64.A O no hydrogen 3.016 N/A LEU 69.A N LEU 65.A O no hydrogen 2.936 N/A ILE 70.A N MET 66.A O no hydrogen 2.938 N/A MET 71.A N GLU 67.A O no hydrogen 2.991 N/A ILE 72.A N LEU 68.A O no hydrogen 2.896 N/A ASN 73.A N LEU 69.A O no hydrogen 3.006 N/A ALA 74.A N ILE 70.A O no hydrogen 2.909 N/A CYS 75.A N MET 71.A O no hydrogen 3.124 N/A CYS 75.A SG MET 71.A O no hydrogen 3.346 N/A LYS 76.A N ILE 72.A O no hydrogen 2.946 N/A LYS 76.A NZ GLY 118.A O no hydrogen 2.839 N/A LYS 76.A NZ ASP 120.A OD2 no hydrogen 3.133 N/A ILE 77.A N ASN 73.A O no hydrogen 2.893 N/A ALA 78.A N ALA 74.A O no hydrogen 3.080 N/A SER 79.A N LYS 76.A O no hydrogen 3.073 N/A ALA 80.A N CYS 75.A O no hydrogen 3.055 N/A SER 81.A N GLU 49.A O no hydrogen 2.895 N/A ARG 82.A N GLU 49.A O no hydrogen 3.341 N/A ARG 82.A NE ASP 50.A OD1 no hydrogen 2.965 N/A ARG 82.A NH2 ASP 50.A OD1 no hydrogen 3.422 N/A ARG 82.A NH2 ASP 50.A OD2 no hydrogen 3.037 N/A ARG 82.A NH2 THR 294.A O no hydrogen 3.335 N/A VAL 83.A N ASP 120.A OD1 no hydrogen 2.814 N/A THR 84.A N VAL 51.A O no hydrogen 2.822 N/A THR 84.A OG1 HIS 121.A ND1 no hydrogen 3.244 N/A ALA 85.A N HIS 121.A O no hydrogen 2.830 N/A VAL 86.A N ILE 53.A O no hydrogen 2.861 N/A ILE 87.A N ILE 123.A O no hydrogen 2.704 N/A TYR 92.A OH ASN 62.A OD1 no hydrogen 2.609 N/A GLN 95.A N TYR 92.A O no hydrogen 2.974 N/A SER 101.A N LYS 98.A O no hydrogen 3.091 N/A SER 106.A OG GLN 95.A OE1 no hydrogen 2.715 N/A ALA 107.A N GLN 95.A O no hydrogen 2.789 N/A LYS 108.A N ILE 105.A O no hydrogen 2.989 N/A LEU 109.A N ILE 105.A O no hydrogen 3.198 N/A VAL 110.A N SER 106.A O no hydrogen 2.849 N/A ALA 111.A N ALA 107.A O no hydrogen 3.022 N/A ASN 112.A N LYS 108.A O no hydrogen 2.907 N/A MET 113.A N LEU 109.A O no hydrogen 2.888 N/A LEU 114.A N VAL 110.A O no hydrogen 2.972 N/A SER 115.A N ALA 111.A O no hydrogen 3.039 N/A SER 115.A OG ALA 111.A O no hydrogen 2.823 N/A VAL 116.A N ASN 112.A O no hydrogen 2.920 N/A ALA 117.A N MET 113.A O no hydrogen 2.898 N/A GLY 118.A N LEU 114.A O no hydrogen 3.282 N/A GLY 118.A N SER 115.A O no hydrogen 2.983 N/A ALA 119.A N LEU 114.A O no hydrogen 3.085 N/A ASP 120.A N VAL 83.A O no hydrogen 2.722 N/A HIS 121.A ND1 THR 84.A OG1 no hydrogen 3.244 N/A HIS 121.A NE2 ASP 141.A OD2 no hydrogen 2.661 N/A ILE 122.A N PRO 139.A O no hydrogen 3.098 N/A ILE 123.A N ALA 85.A O no hydrogen 2.739 N/A THR 124.A N ASP 141.A O no hydrogen 2.935 N/A THR 124.A OG1 ILE 87.A O no hydrogen 2.431 N/A MET 125.A N PRO 88.A O no hydrogen 3.368 N/A ASP 126.A N LEU 143.A O no hydrogen 2.709 N/A LEU 127.A N ASN 142.A OD1 no hydrogen 3.065 N/A HIS 128.A ND1 ASP 212.A OD1 no hydrogen 2.759 N/A GLN 131.A N GLN 131.A OE1 no hydrogen 2.715 N/A ILE 132.A N ALA 129.A O no hydrogen 2.934 N/A GLN 133.A N SER 130.A O no hydrogen 3.135 N/A GLY 134.A N GLN 131.A O no hydrogen 2.618 N/A PHE 135.A N ILE 132.A O no hydrogen 2.903 N/A PHE 136.A N GLN 133.A O no hydrogen 3.291 N/A ASP 141.A N ILE 122.A O no hydrogen 2.869 N/A LEU 143.A N THR 124.A O no hydrogen 2.720 N/A ALA 145.A N ASP 126.A OD1 no hydrogen 2.981 N/A VAL 149.A N ALA 145.A O no hydrogen 2.828 N/A LEU 150.A N GLU 146.A O no hydrogen 2.892 N/A LYS 151.A N PRO 147.A O no hydrogen 3.201 N/A LYS 151.A NZ GLU 155.A OE1 no hydrogen 3.105 N/A LYS 151.A NZ GLU 155.A OE2 no hydrogen 3.103 N/A TRP 152.A N ALA 148.A O no hydrogen 3.111 N/A ILE 153.A N VAL 149.A O no hydrogen 2.970 N/A ARG 154.A N LEU 150.A O no hydrogen 2.943 N/A GLU 155.A N LYS 151.A O no hydrogen 3.014 N/A ASN 156.A N ILE 153.A O no hydrogen 3.411 N/A ILE 157.A N ILE 153.A O no hydrogen 3.013 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.403 N/A TRP 160.A N ILE 157.A O no hydrogen 3.088 N/A ASN 162.A N GLU 159.A O no hydrogen 3.074 N/A CYS 163.A N TRP 160.A O no hydrogen 3.070 N/A CYS 163.A SG TRP 160.A O no hydrogen 3.078 N/A THR 164.A N VAL 206.A O no hydrogen 2.948 N/A THR 164.A OG1 ASP 201.A O no hydrogen 3.154 N/A ILE 165.A N ASP 186.A O no hydrogen 2.918 N/A VAL 166.A N ILE 208.A O no hydrogen 2.857 N/A SER 167.A N ALA 188.A O no hydrogen 3.035 N/A SER 167.A OG ASP 169.A O no hydrogen 2.490 N/A ASP 169.A N SER 167.A OG no hydrogen 3.270 N/A GLY 172.A N ASP 169.A O no hydrogen 3.426 N/A ALA 173.A N ALA 170.A O no hydrogen 3.159 N/A VAL 176.A N GLY 172.A O no hydrogen 3.322 N/A THR 177.A N ALA 173.A O no hydrogen 3.040 N/A THR 177.A OG1 ALA 173.A O no hydrogen 3.246 N/A THR 177.A OG1 LYS 174.A O no hydrogen 3.215 N/A SER 178.A N LYS 174.A O no hydrogen 3.088 N/A SER 178.A OG GLU 146.A OE2 no hydrogen 3.135 N/A ILE 179.A N ARG 175.A O no hydrogen 3.275 N/A ALA 180.A N VAL 176.A O no hydrogen 2.745 N/A ASP 181.A N THR 177.A O no hydrogen 2.898 N/A ARG 182.A N SER 178.A O no hydrogen 3.231 N/A LEU 183.A N ILE 179.A O no hydrogen 3.097 N/A ASN 184.A N ASP 181.A O no hydrogen 3.069 N/A ASN 184.A ND2 ASP 181.A O no hydrogen 3.534 N/A VAL 185.A N ALA 180.A O no hydrogen 2.847 N/A ALA 188.A N ILE 165.A O no hydrogen 2.932 N/A LEU 189.A N VAL 199.A O no hydrogen 2.827 N/A ILE 190.A N SER 167.A O no hydrogen 2.834 N/A HIS 191.A N VAL 197.A O no hydrogen 2.966 N/A GLU 193.A N ARG 195.A O no hydrogen 2.960 N/A VAL 197.A N HIS 191.A O no hydrogen 2.853 N/A VAL 199.A N LEU 189.A O no hydrogen 2.803 N/A ASP 204.A N GLY 231.A O no hydrogen 2.742 N/A ARG 205.A N VAL 202.A O no hydrogen 3.249 N/A ARG 205.A NE THR 164.A OG1 no hydrogen 2.769 N/A ARG 205.A NH2 CYS 163.A O no hydrogen 3.330 N/A ALA 207.A N ARG 234.A O no hydrogen 2.701 N/A ILE 208.A N THR 164.A O no hydrogen 3.019 N/A LEU 209.A N TYR 236.A O no hydrogen 2.680 N/A VAL 210.A N VAL 166.A O no hydrogen 3.067 N/A ASP 211.A N ILE 238.A O no hydrogen 2.902 N/A ALA 214.A N HIS 241.A O no hydrogen 3.193 N/A CYS 221.A N CYS 217.A O no hydrogen 2.802 N/A CYS 221.A SG CYS 217.A O no hydrogen 3.347 N/A CYS 221.A SG ARG 251.A O no hydrogen 3.419 N/A HIS 222.A N GLY 218.A O no hydrogen 3.122 N/A ALA 223.A N THR 219.A O no hydrogen 2.952 N/A ALA 224.A N ILE 220.A O no hydrogen 3.146 N/A ASP 225.A N CYS 221.A O no hydrogen 3.200 N/A LYS 226.A N HIS 222.A O no hydrogen 2.920 N/A LEU 227.A N ALA 223.A O no hydrogen 2.855 N/A LEU 228.A N ALA 224.A O no hydrogen 3.099 N/A SER 229.A N ASP 225.A O no hydrogen 3.049 N/A SER 229.A OG ASP 225.A O no hydrogen 2.886 N/A ALA 230.A N LYS 226.A O no hydrogen 2.987 N/A ALA 230.A N LEU 227.A O no hydrogen 3.076 N/A GLY 231.A N LEU 228.A O no hydrogen 2.778 N/A ALA 232.A N LEU 227.A O no hydrogen 3.145 N/A THR 233.A N ARG 205.A O no hydrogen 2.908 N/A ARG 234.A NH1 TYR 236.A OH no hydrogen 2.364 N/A ARG 234.A NH2 GLU 159.A OE2 no hydrogen 2.711 N/A TYR 236.A N ALA 207.A O no hydrogen 2.694 N/A ALA 237.A N ALA 259.A O no hydrogen 3.206 N/A ILE 238.A N LEU 209.A O no hydrogen 2.562 N/A LEU 239.A N VAL 261.A O no hydrogen 2.826 N/A THR 240.A N ASP 211.A O no hydrogen 3.400 N/A THR 240.A OG1 ASP 126.A OD1 no hydrogen 3.379 N/A HIS 241.A N ASP 212.A O no hydrogen 2.914 N/A HIS 241.A ND1 THR 265.A OG1 no hydrogen 2.738 N/A HIS 241.A NE2 MET 125.A O no hydrogen 2.946 N/A PHE 244.A N ALA 214.A O no hydrogen 3.036 N/A SER 245.A N ASP 215.A O no hydrogen 2.572 N/A SER 245.A OG ASP 215.A O no hydrogen 3.406 N/A SER 245.A OG ASP 215.A OD1 no hydrogen 2.480 N/A ALA 248.A N SER 245.A O no hydrogen 3.167 N/A SER 250.A OG PRO 247.A O no hydrogen 3.065 N/A ARG 251.A N PRO 247.A O no hydrogen 2.849 N/A ARG 251.A NH1 THR 216.A O no hydrogen 3.313 N/A ILE 252.A N ALA 248.A O no hydrogen 2.978 N/A ASN 253.A N ILE 249.A O no hydrogen 3.365 N/A ASN 253.A ND2 HIS 274.A O no hydrogen 3.274 N/A ASN 254.A N SER 250.A O no hydrogen 3.129 N/A ALA 255.A N ILE 252.A O no hydrogen 2.823 N/A CYS 256.A SG ALA 224.A O no hydrogen 3.786 N/A GLU 258.A N VAL 235.A O no hydrogen 2.863 N/A VAL 260.A N LYS 277.A O no hydrogen 2.800 N/A VAL 261.A N ALA 237.A O no hydrogen 2.829 N/A VAL 262.A N GLN 279.A O no hydrogen 2.933 N/A THR 263.A N THR 240.A O no hydrogen 3.243 N/A THR 263.A OG1 THR 240.A O no hydrogen 2.488 N/A ASN 264.A N ILE 281.A O no hydrogen 3.152 N/A THR 265.A N THR 263.A OG1 no hydrogen 3.164 N/A THR 265.A OG1 THR 240.A O no hydrogen 3.547 N/A THR 265.A OG1 HIS 241.A ND1 no hydrogen 2.738 N/A THR 265.A OG1 THR 263.A OG1 no hydrogen 3.305 N/A GLN 268.A N GLU 269.A OE1 no hydrogen 2.919 N/A LYS 271.A NZ PHE 244.A O no hydrogen 2.750 N/A MET 272.A N GLN 268.A O no hydrogen 3.016 N/A HIS 274.A N LYS 271.A O no hydrogen 3.033 N/A CYS 275.A N MET 272.A O no hydrogen 3.461 N/A CYS 275.A SG ASN 253.A OD1 no hydrogen 3.397 N/A LYS 277.A NZ PHE 257.A O no hydrogen 2.677 N/A GLN 279.A N VAL 260.A O no hydrogen 2.846 N/A ILE 281.A N VAL 262.A O no hydrogen 2.761 N/A SER 284.A N ASP 282.A OD1 no hydrogen 2.951 N/A SER 284.A OG ASP 282.A OD1 no hydrogen 2.835 N/A SER 284.A OG ASP 282.A OD2 no hydrogen 3.198 N/A LEU 287.A N ILE 283.A O no hydrogen 3.103 N/A ALA 288.A N SER 284.A O no hydrogen 2.813 N/A GLU 289.A N MET 285.A O no hydrogen 2.923 N/A ALA 290.A N ILE 286.A O no hydrogen 2.906 N/A ILE 291.A N LEU 287.A O no hydrogen 2.997 N/A ARG 292.A N ALA 288.A O no hydrogen 2.882 N/A ARG 292.A NH2 GLU 289.A OE2 no hydrogen 3.346 N/A ARG 293.A N GLU 289.A O no hydrogen 2.954 N/A ARG 293.A NE GLU 289.A OE2 no hydrogen 2.675 N/A ARG 293.A NH1 SER 299.A O no hydrogen 2.818 N/A ARG 293.A NH2 GLU 289.A OE2 no hydrogen 3.165 N/A THR 294.A N ALA 290.A O no hydrogen 2.787 N/A THR 294.A OG1 ALA 290.A O no hydrogen 2.521 N/A HIS 295.A N ILE 291.A O no hydrogen 2.781 N/A HIS 295.A ND1 ASP 50.A OD2 no hydrogen 2.686 N/A ASN 296.A N ARG 292.A O no hydrogen 2.829 N/A GLU 298.A N ARG 293.A O no hydrogen 2.959 N/A SER 301.A OG SER 299.A OG no hydrogen 3.205 N/A LEU 303.A N VAL 300.A O no hydrogen 2.994 N/A PHE 304.A N SER 301.A O no hydrogen 2.941 N/A