Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kra_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PHE 341.A O no hydrogen 2.700 N/A ILE 3.A N LEU 11.A O no hydrogen 2.850 N/A ASP 12.A N LYS 42.A O no hydrogen 3.295 N/A LEU 13.A N MET 1.A O no hydrogen 2.944 N/A LYS 16.A N GLN 38.A O no hydrogen 2.706 N/A LYS 16.A NZ TYR 36.A OH no hydrogen 2.859 N/A ALA 17.A N TYR 339.A O no hydrogen 2.723 N/A VAL 18.A N TYR 36.A O no hydrogen 2.794 N/A GLY 19.A N ILE 337.A O no hydrogen 2.888 N/A ARG 20.A NE GLN 34.A O no hydrogen 2.529 N/A ARG 20.A NH2 GLN 34.A O no hydrogen 3.022 N/A HIS 21.A N VAL 335.A O no hydrogen 2.977 N/A VAL 22.A N ALA 32.A O no hydrogen 3.210 N/A TRP 23.A N ALA 333.A O no hydrogen 3.155 N/A THR 25.A N ASP 331.A O no hydrogen 2.601 N/A THR 25.A OG1 TYR 312.A OH no hydrogen 2.925 N/A THR 25.A OG1 ASP 331.A O no hydrogen 2.491 N/A THR 26.A N ASP 331.A O no hydrogen 3.321 N/A ALA 32.A N VAL 22.A O no hydrogen 3.132 N/A THR 35.A N ASP 33.A OD1 no hydrogen 2.425 N/A THR 35.A OG1 ARG 20.A O no hydrogen 3.368 N/A THR 35.A OG1 ASP 33.A OD1 no hydrogen 2.579 N/A THR 35.A OG1 ASP 33.A OD2 no hydrogen 2.974 N/A TYR 36.A N VAL 18.A O no hydrogen 2.964 N/A ILE 39.A N TYR 59.A O no hydrogen 2.916 N/A GLY 40.A N TYR 14.A O no hydrogen 2.711 N/A PHE 41.A N TRP 57.A O no hydrogen 2.904 N/A LYS 42.A N ASP 12.A O no hydrogen 3.079 N/A GLY 43.A N GLY 55.A O no hydrogen 3.006 N/A GLU 44.A N LYS 10.A O no hydrogen 2.673 N/A THR 45.A N GLY 53.A O no hydrogen 2.787 N/A THR 45.A OG1 ASN 9.A OD1 no hydrogen 3.387 N/A ILE 47.A N LEU 51.A O no hydrogen 3.017 N/A ASN 48.A N LEU 51.A O no hydrogen 3.313 N/A ASN 48.A ND2 THR 49.A OG1 no hydrogen 3.067 N/A LEU 51.A N ASN 48.A O no hydrogen 2.551 N/A THR 52.A N LYS 84.A O no hydrogen 2.873 N/A THR 52.A OG1 GLU 44.A OE2 no hydrogen 3.091 N/A GLY 53.A N THR 45.A O no hydrogen 3.220 N/A PHE 54.A N GLY 82.A O no hydrogen 3.237 N/A GLY 55.A N GLY 43.A O no hydrogen 2.741 N/A TRP 57.A N PHE 41.A O no hydrogen 3.236 N/A GLU 58.A N LEU 78.A O no hydrogen 2.748 N/A TYR 59.A N ILE 39.A O no hydrogen 2.784 N/A TYR 59.A OH ASN 74.A OD1 no hydrogen 2.800 N/A ARG 60.A N LEU 75.A O no hydrogen 2.940 N/A ARG 60.A NE GLN 38.A OE1 no hydrogen 3.053 N/A THR 61.A N ALA 37.A O no hydrogen 3.470 N/A LYS 62.A NZ ASP 64.A OD1 no hydrogen 3.511 N/A ALA 63.A N THR 35.A O no hydrogen 3.423 N/A GLU 69.A N ALA 66.A O no hydrogen 2.964 N/A SER 73.A N GLN 70.A O no hydrogen 2.759 N/A LEU 78.A N GLU 58.A O no hydrogen 3.220 N/A ALA 79.A N ARG 95.A O no hydrogen 3.015 N/A PHE 80.A N GLN 56.A O no hydrogen 2.857 N/A GLY 82.A N PHE 54.A O no hydrogen 3.225 N/A LEU 83.A N ILE 91.A O no hydrogen 2.737 N/A LYS 84.A N THR 52.A O no hydrogen 2.678 N/A ALA 86.A N ASP 50.A O no hydrogen 2.742 N/A VAL 88.A N ALA 86.A O no hydrogen 2.410 N/A GLY 89.A N TYR 85.A O no hydrogen 3.338 N/A SER 90.A OG SER 90.A O no hydrogen 2.609 N/A SER 90.A OG ARG 138.A O no hydrogen 3.024 N/A ASP 92.A N THR 136.A O no hydrogen 2.933 N/A TYR 93.A N ALA 81.A O no hydrogen 2.989 N/A GLY 94.A N LEU 134.A O no hydrogen 3.264 N/A ARG 95.A NH1 VAL 76.A O no hydrogen 3.416 N/A ARG 95.A NH2 ASP 124.A OD1 no hydrogen 2.904 N/A ASN 96.A ND2 ASP 92.A OD2 no hydrogen 3.215 N/A TYR 97.A N ASN 96.A OD1 no hydrogen 2.833 N/A GLY 98.A N SER 129.A O no hydrogen 2.582 N/A TYR 101.A N GLY 98.A O no hydrogen 3.299 N/A TYR 101.A OH ASP 108.A OD2 no hydrogen 3.141 N/A ASP 102.A N ILE 99.A O no hydrogen 3.512 N/A SER 105.A N TYR 101.A O no hydrogen 2.889 N/A SER 105.A OG ASP 102.A O no hydrogen 2.304 N/A THR 107.A N GLU 104.A O no hydrogen 2.747 N/A THR 107.A OG1 GLU 256.A OE1 no hydrogen 3.112 N/A ASP 108.A N GLU 104.A O no hydrogen 2.780 N/A PHE 113.A N PRO 111.A O no hydrogen 2.769 N/A SER 114.A N TYR 112.A O no hydrogen 2.788 N/A SER 114.A OG ASP 108.A OD1 no hydrogen 2.431 N/A THR 117.A OG1 SER 276.A OG no hydrogen 2.947 N/A TRP 118.A NE1 GLU 256.A OE2 no hydrogen 2.817 N/A ALA 121.A N THR 117.A O no hydrogen 3.282 N/A ASN 125.A ND2 TRP 118.A O no hydrogen 3.497 N/A THR 128.A N ASN 125.A O no hydrogen 3.051 N/A THR 128.A OG1 TRP 118.A O no hydrogen 3.035 N/A THR 128.A OG1 ASN 125.A O no hydrogen 3.358 N/A ALA 131.A N ASN 96.A O no hydrogen 3.029 N/A LEU 134.A N GLY 94.A O no hydrogen 2.904 N/A LEU 135.A N TYR 155.A O no hydrogen 3.093 N/A THR 136.A N ASP 92.A O no hydrogen 3.048 N/A THR 136.A OG1 ASP 92.A OD2 no hydrogen 3.364 N/A THR 136.A OG1 LEU 134.A O no hydrogen 3.401 N/A TYR 137.A N ILE 153.A O no hydrogen 3.186 N/A TYR 137.A OH VAL 88.A O no hydrogen 2.392 N/A ARG 138.A NH1 ASP 102.A OD2 no hydrogen 3.067 N/A ASN 139.A N PHE 151.A O no hydrogen 3.186 N/A PHE 143.A N ASN 139.A OD1 no hydrogen 2.774 N/A LEU 145.A N ASP 141.A O no hydrogen 2.646 N/A LEU 145.A N PHE 142.A O no hydrogen 2.769 N/A VAL 146.A N ASP 141.A O no hydrogen 2.781 N/A GLY 148.A N VAL 146.A O no hydrogen 2.709 N/A LEU 149.A N VAL 146.A O no hydrogen 3.221 N/A SER 150.A N ALA 178.A O no hydrogen 2.529 N/A PHE 151.A N ASN 139.A O no hydrogen 3.032 N/A GLY 152.A N THR 176.A O no hydrogen 2.888 N/A ILE 153.A N TYR 137.A O no hydrogen 3.080 N/A GLN 154.A N GLY 174.A O no hydrogen 2.843 N/A GLN 168.A N SER 164.A O no hydrogen 3.318 N/A GLN 168.A N ILE 165.A O no hydrogen 3.196 N/A GLN 168.A NE2 SER 164.A O no hydrogen 3.217 N/A ASN 169.A N ASN 159.A O no hydrogen 2.909 N/A GLY 172.A N GLN 156.A O no hydrogen 3.300 N/A VAL 173.A N ASN 192.A O no hydrogen 2.792 N/A GLY 174.A N GLN 154.A O no hydrogen 2.845 N/A TYR 175.A N TYR 190.A O no hydrogen 2.590 N/A THR 176.A N GLY 152.A O no hydrogen 2.663 N/A THR 176.A OG1 ALA 188.A O no hydrogen 3.207 N/A MET 177.A N ALA 188.A O no hydrogen 2.873 N/A TYR 179.A N VAL 186.A O no hydrogen 3.117 N/A GLU 180.A N GLY 148.A O no hydrogen 2.944 N/A PHE 181.A N PHE 184.A O no hydrogen 3.020 N/A VAL 186.A N TYR 179.A O no hydrogen 2.807 N/A THR 187.A N GLY 215.A O no hydrogen 2.875 N/A ALA 188.A N MET 177.A O no hydrogen 3.192 N/A ALA 189.A N ALA 213.A O no hydrogen 2.613 N/A TYR 190.A N TYR 175.A O no hydrogen 3.070 N/A SER 191.A N SER 211.A O no hydrogen 2.548 N/A SER 191.A OG SER 211.A O no hydrogen 3.408 N/A ASN 192.A N VAL 173.A O no hydrogen 2.836 N/A SER 193.A N ALA 209.A O no hydrogen 2.931 N/A SER 193.A OG GLY 170.A O no hydrogen 2.703 N/A LYS 194.A N ASP 171.A O no hydrogen 3.380 N/A ARG 195.A NH1 GLN 199.A O no hydrogen 3.203 N/A ARG 195.A NH1 GLY 206.A O no hydrogen 3.022 N/A THR 196.A OG1 GLN 168.A OE1 no hydrogen 3.052 N/A ASP 198.A N THR 196.A OG1 no hydrogen 2.839 N/A GLN 199.A NE2 ARG 195.A O no hydrogen 3.675 N/A GLN 199.A NE2 ASP 207.A OD1 no hydrogen 3.017 N/A GLN 200.A NE2 ASN 197.A O no hydrogen 3.555 N/A ALA 209.A N SER 193.A O no hydrogen 2.975 N/A SER 211.A N SER 191.A O no hydrogen 2.974 N/A SER 211.A OG GLU 210.A O no hydrogen 3.036 N/A SER 211.A OG GLU 231.A O no hydrogen 3.382 N/A ARG 212.A N GLU 231.A O no hydrogen 3.239 N/A ALA 213.A N ALA 189.A O no hydrogen 2.735 N/A VAL 214.A N TYR 229.A O no hydrogen 3.128 N/A GLY 215.A N THR 187.A O no hydrogen 2.769 N/A ALA 216.A N ALA 227.A O no hydrogen 2.912 N/A LYS 217.A N GLY 185.A O no hydrogen 2.720 N/A TYR 218.A N LEU 225.A O no hydrogen 2.667 N/A ASP 219.A N GLY 183.A O no hydrogen 3.006 N/A ALA 220.A N VAL 223.A O no hydrogen 3.076 N/A ASN 222.A ND2 GLN 262.A O no hydrogen 2.662 N/A VAL 223.A N ALA 220.A O no hydrogen 2.727 N/A TYR 224.A N GLN 260.A O no hydrogen 2.749 N/A TYR 224.A OH TYR 106.A O no hydrogen 2.456 N/A LEU 225.A N TYR 218.A O no hydrogen 2.938 N/A ALA 226.A N VAL 258.A O no hydrogen 3.057 N/A ALA 227.A N ALA 216.A O no hydrogen 3.043 N/A VAL 228.A N GLU 256.A O no hydrogen 2.984 N/A TYR 229.A N VAL 214.A O no hydrogen 2.950 N/A ALA 230.A N ASN 254.A O no hydrogen 2.780 N/A GLU 231.A N ARG 212.A O no hydrogen 2.999 N/A THR 232.A N THR 252.A O no hydrogen 2.994 N/A ARG 233.A N GLU 210.A O no hydrogen 2.615 N/A SER 236.A OG TYR 326.A OH no hydrogen 2.477 N/A VAL 238.A N GLU 247.A O no hydrogen 3.330 N/A ASN 240.A N THR 245.A O no hydrogen 3.158 N/A THR 243.A OG1 ASN 240.A O no hydrogen 3.511 N/A GLU 247.A N VAL 238.A O no hydrogen 3.118 N/A THR 252.A N THR 232.A O no hydrogen 3.173 N/A GLN 253.A N LYS 277.A O no hydrogen 2.940 N/A ASN 254.A N ALA 230.A O no hydrogen 2.775 N/A ASN 254.A ND2 ALA 230.A O no hydrogen 3.024 N/A LEU 255.A N GLN 275.A O no hydrogen 2.799 N/A GLU 256.A N VAL 228.A O no hydrogen 2.880 N/A VAL 257.A N TYR 273.A O no hydrogen 2.706 N/A VAL 258.A N ALA 226.A O no hydrogen 2.819 N/A ALA 259.A N ILE 271.A O no hydrogen 3.033 N/A GLN 260.A N TYR 224.A O no hydrogen 2.891 N/A GLN 262.A N ASN 222.A O no hydrogen 2.510 N/A PHE 263.A N LEU 267.A O no hydrogen 3.243 N/A ARG 268.A NE GLN 260.A OE1 no hydrogen 3.442 N/A ARG 268.A NH1 GLN 262.A OE1 no hydrogen 3.119 N/A ARG 268.A NH2 GLN 260.A OE1 no hydrogen 2.975 N/A ALA 270.A N GLY 297.A O no hydrogen 2.722 N/A ILE 271.A N ALA 259.A O no hydrogen 2.802 N/A SER 272.A N GLN 295.A O no hydrogen 2.823 N/A TYR 273.A N VAL 257.A O no hydrogen 2.679 N/A VAL 274.A N TYR 293.A O no hydrogen 2.805 N/A GLN 275.A N LEU 255.A O no hydrogen 2.903 N/A SER 276.A N ALA 291.A O no hydrogen 2.559 N/A SER 276.A OG THR 117.A OG1 no hydrogen 2.947 N/A SER 276.A OG ASN 254.A OD1 no hydrogen 2.414 N/A SER 276.A OG GLN 275.A O no hydrogen 2.844 N/A LYS 277.A N GLN 253.A O no hydrogen 3.017 N/A GLY 278.A N ALA 288.A O no hydrogen 2.953 N/A LYS 279.A N LYS 251.A O no hydrogen 2.807 N/A ALA 284.A N ASN 282.A O no hydrogen 2.801 N/A GLY 286.A N LEU 281.A O no hydrogen 2.882 N/A SER 287.A N ALA 284.A O no hydrogen 3.135 N/A ALA 288.A N GLY 278.A O no hydrogen 3.403 N/A LEU 290.A N SER 276.A O no hydrogen 2.805 N/A ALA 291.A N SER 276.A O no hydrogen 2.803 N/A TYR 293.A N VAL 274.A O no hydrogen 2.831 N/A ILE 294.A N PHE 314.A O no hydrogen 2.905 N/A GLN 295.A N SER 272.A O no hydrogen 2.575 N/A GLN 295.A NE2 ALA 270.A O no hydrogen 3.083 N/A GLN 295.A NE2 SER 272.A OG no hydrogen 3.349 N/A ALA 296.A N TYR 312.A O no hydrogen 2.481 N/A GLY 297.A N ALA 270.A O no hydrogen 3.126 N/A ALA 298.A N VAL 310.A O no hydrogen 3.180 N/A THR 299.A N ARG 268.A O no hydrogen 3.046 N/A TYR 300.A N VAL 308.A O no hydrogen 2.893 N/A MET 306.A N ASN 303.A O no hydrogen 3.053 N/A VAL 308.A N TYR 300.A O no hydrogen 3.164 N/A TRP 309.A N GLY 336.A O no hydrogen 2.889 N/A VAL 310.A N ALA 298.A O no hydrogen 3.482 N/A ASP 311.A N ALA 334.A O no hydrogen 2.764 N/A TYR 312.A N ALA 296.A O no hydrogen 2.321 N/A ARG 313.A N GLN 332.A O no hydrogen 3.042 N/A ARG 313.A NE GLN 332.A OE1 no hydrogen 3.211 N/A ARG 313.A NH1 GLU 116.A OE1 no hydrogen 2.732 N/A ARG 313.A NH2 GLU 116.A OE1 no hydrogen 3.095 N/A ARG 313.A NH2 GLU 116.A OE2 no hydrogen 2.941 N/A ARG 313.A NH2 GLN 332.A OE1 no hydrogen 2.924 N/A PHE 314.A N ILE 294.A O no hydrogen 2.766 N/A ASN 315.A N ASP 331.A OD1 no hydrogen 2.610 N/A ASN 315.A ND2 LYS 292.A O no hydrogen 2.673 N/A LEU 316.A N LYS 292.A O no hydrogen 2.473 N/A TYR 322.A OH GLU 247.A OE1 no hydrogen 2.543 N/A TYR 322.A OH GLU 247.A OE2 no hydrogen 3.155 N/A SER 324.A N SER 323.A OG no hydrogen 2.577 N/A SER 324.A OG TYR 322.A O no hydrogen 2.643 N/A SER 325.A OG TYR 122.A OH no hydrogen 3.287 N/A SER 325.A OG ILE 237.A O no hydrogen 2.597 N/A ASP 331.A N THR 26.A OG1 no hydrogen 2.873 N/A ALA 333.A N TRP 23.A O no hydrogen 2.953 N/A ALA 334.A N ASP 311.A O no hydrogen 2.589 N/A VAL 335.A N HIS 21.A O no hydrogen 3.186 N/A GLY 336.A N TRP 309.A O no hydrogen 3.070 N/A ILE 337.A N GLY 19.A O no hydrogen 2.976 N/A THR 338.A N ASN 307.A O no hydrogen 2.884 N/A THR 338.A OG1 ASN 307.A OD1 no hydrogen 3.424 N/A TYR 339.A N ALA 17.A O no hydrogen 3.119 N/A GLN 340.A N ASN 305.A O no hydrogen 3.080 N/A GLN 340.A NE2 LYS 304.A O no hydrogen 3.441 N/A PHE 341.A N GLY 15.A O no hydrogen 2.820 N/A