Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qkw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASP 67.A OD1 no hydrogen 2.934 N/A ARG 3.A NE ASP 67.A OD1 no hydrogen 2.810 N/A ARG 3.A NE ASP 67.A OD2 no hydrogen 3.334 N/A ARG 3.A NH2 GLY 62.A O no hydrogen 3.234 N/A ARG 3.A NH2 ASP 67.A OD2 no hydrogen 2.578 N/A TYR 5.A N VAL 68.A O no hydrogen 2.736 N/A ILE 6.A N ARG 35.A O no hydrogen 2.781 N/A THR 7.A N ILE 70.A O no hydrogen 2.803 N/A ASN 8.A N LEU 37.A O no hydrogen 3.195 N/A ASN 8.A ND2 GLU 36.A OE1 no hydrogen 2.959 N/A ILE 9.A N GLN 22.A OE1 no hydrogen 3.088 N/A ASN 10.A N ILE 39.A O no hydrogen 2.782 N/A GLN 15.A N SER 13.A OG no hydrogen 3.254 N/A SER 16.A N SER 13.A O no hydrogen 2.802 N/A SER 16.A OG GLN 12.A OE1 no hydrogen 2.512 N/A GLN 19.A N SER 16.A OG no hydrogen 3.301 N/A LEU 20.A N SER 16.A O no hydrogen 3.121 N/A CYS 21.A N THR 17.A O no hydrogen 2.969 N/A CYS 21.A SG THR 17.A O no hydrogen 3.357 N/A GLN 22.A N ALA 18.A O no hydrogen 3.204 N/A GLN 22.A NE2 GLN 72.A O no hydrogen 3.630 N/A GLN 22.A NE2 PRO 74.A O no hydrogen 3.164 N/A ASN 23.A N GLN 19.A O no hydrogen 2.819 N/A ASN 23.A ND2 ASN 8.A OD1 no hydrogen 2.835 N/A ASN 23.A ND2 ILE 9.A O no hydrogen 3.340 N/A THR 24.A N LEU 20.A O no hydrogen 3.020 N/A THR 24.A OG1 LEU 20.A O no hydrogen 2.859 N/A VAL 25.A N CYS 21.A O no hydrogen 2.937 N/A THR 26.A N GLN 22.A O no hydrogen 2.883 N/A THR 26.A OG1 GLN 22.A O no hydrogen 2.627 N/A ASP 27.A N ASN 23.A O no hydrogen 3.014 N/A VAL 28.A N THR 24.A O no hydrogen 3.165 N/A ALA 29.A N VAL 25.A O no hydrogen 2.829 N/A VAL 30.A N THR 26.A O no hydrogen 2.742 N/A SER 31.A N ASP 27.A O no hydrogen 3.139 N/A SER 31.A OG VAL 28.A O no hydrogen 2.645 N/A LEU 32.A N VAL 28.A O no hydrogen 3.065 N/A LEU 32.A N ALA 29.A O no hydrogen 3.007 N/A GLY 33.A N VAL 30.A O no hydrogen 2.937 N/A TYR 34.A N ALA 29.A O no hydrogen 2.914 N/A TYR 34.A OH LEU 319.A O no hydrogen 2.695 N/A ARG 35.A N VAL 4.A O no hydrogen 2.768 N/A LEU 37.A N ILE 6.A O no hydrogen 2.887 N/A ILE 39.A N ASN 8.A O no hydrogen 2.792 N/A CYS 41.A N ASN 10.A O no hydrogen 2.933 N/A CYS 41.A SG ASN 10.A O no hydrogen 3.713 N/A CYS 41.A SG THR 75.A O no hydrogen 3.628 N/A TYR 42.A N ASN 77.A OD1 no hydrogen 2.951 N/A TYR 42.A OH ASP 47.A OD2 no hydrogen 2.826 N/A HIS 45.A NE2 GLN 43.A OE1 no hydrogen 3.223 N/A THR 46.A N GLN 43.A O no hydrogen 3.076 N/A THR 46.A OG1 GLN 43.A O no hydrogen 2.569 N/A ASP 47.A N ILE 44.A O no hydrogen 2.899 N/A SER 48.A N GLU 51.A OE1 no hydrogen 2.965 N/A GLU 51.A N SER 48.A OG no hydrogen 3.218 N/A LEU 52.A N SER 48.A O no hydrogen 2.852 N/A SER 53.A N GLU 49.A O no hydrogen 3.073 N/A LYS 54.A N SER 50.A O no hydrogen 3.140 N/A ARG 55.A N GLU 51.A O no hydrogen 2.939 N/A ARG 55.A NE ASP 47.A OD2 no hydrogen 2.822 N/A ARG 55.A NH2 ASP 47.A OD1 no hydrogen 2.711 N/A ARG 55.A NH2 ASP 47.A OD2 no hydrogen 3.225 N/A LEU 56.A N LEU 52.A O no hydrogen 3.059 N/A ASP 57.A N SER 53.A O no hydrogen 2.879 N/A GLY 58.A N LYS 54.A O no hydrogen 2.914 N/A ILE 59.A N ARG 55.A O no hydrogen 2.980 N/A VAL 60.A N LEU 56.A O no hydrogen 2.992 N/A ALA 61.A N GLY 58.A O no hydrogen 3.475 N/A LEU 63.A N VAL 60.A O no hydrogen 2.912 N/A ARG 64.A N ASP 67.A OD2 no hydrogen 2.912 N/A GLY 66.A N ASP 93.A O no hydrogen 2.793 N/A ASP 67.A N ARG 64.A O no hydrogen 3.030 N/A VAL 68.A N ARG 3.A O no hydrogen 2.836 N/A VAL 69.A N LYS 95.A O no hydrogen 3.022 N/A ILE 70.A N TYR 5.A O no hydrogen 2.726 N/A PHE 71.A N VAL 97.A O no hydrogen 2.724 N/A GLN 72.A N THR 7.A OG1 no hydrogen 2.792 N/A GLN 72.A NE2 THR 7.A O no hydrogen 2.707 N/A GLN 72.A NE2 GLN 22.A O no hydrogen 3.334 N/A THR 73.A N PHE 99.A O no hydrogen 2.859 N/A THR 73.A OG1 TYR 119.A OH no hydrogen 2.773 N/A THR 75.A N ASP 82.A OD1 no hydrogen 3.107 N/A THR 75.A OG1 ASP 82.A OD1 no hydrogen 2.559 N/A ASN 77.A N THR 75.A OG1 no hydrogen 3.265 N/A ASN 77.A ND2 TYR 40.A O no hydrogen 3.081 N/A THR 78.A OG1 ASN 77.A O no hydrogen 2.437 N/A PHE 81.A N THR 78.A O no hydrogen 2.836 N/A ASP 82.A N THR 78.A O no hydrogen 3.235 N/A GLU 83.A N THR 79.A O no hydrogen 2.813 N/A LYS 84.A N GLU 80.A O no hydrogen 3.006 N/A LYS 84.A NZ GLU 80.A OE2 no hydrogen 3.105 N/A LEU 85.A N PHE 81.A O no hydrogen 2.786 N/A MET 86.A N ASP 82.A O no hydrogen 2.954 N/A ASN 87.A N GLU 83.A O no hydrogen 3.058 N/A LYS 88.A N LYS 84.A O no hydrogen 3.128 N/A LYS 88.A NZ SER 53.A O no hydrogen 3.191 N/A LYS 88.A NZ SER 53.A OG no hydrogen 2.734 N/A LEU 89.A N LEU 85.A O no hydrogen 3.003 N/A LYS 90.A N MET 86.A O no hydrogen 2.860 N/A LYS 90.A NZ LYS 122.A O no hydrogen 2.820 N/A LEU 91.A N LYS 88.A O no hydrogen 3.328 N/A TYR 92.A N LEU 89.A O no hydrogen 3.006 N/A ASP 93.A N HIS 65.A ND1 no hydrogen 2.851 N/A LYS 95.A N ASP 67.A O no hydrogen 3.454 N/A ILE 96.A N ASP 124.A OD2 no hydrogen 2.671 N/A VAL 97.A N VAL 69.A O no hydrogen 2.833 N/A LEU 98.A N VAL 125.A O no hydrogen 2.676 N/A PHE 99.A N PHE 71.A O no hydrogen 2.719 N/A ILE 100.A N VAL 127.A O no hydrogen 2.938 N/A HIS 101.A N THR 73.A O no hydrogen 2.798 N/A ASP 102.A N THR 73.A O no hydrogen 3.494 N/A VAL 103.A N TYR 237.A OH no hydrogen 2.763 N/A LEU 106.A N VAL 103.A O no hydrogen 3.148 N/A PHE 110.A N SER 107.A O no hydrogen 3.204 N/A LEU 112.A N ASN 109.A O no hydrogen 3.157 N/A MET 113.A N PHE 110.A O no hydrogen 2.742 N/A ARG 115.A NE GLU 83.A OE2 no hydrogen 2.951 N/A ARG 115.A NH2 GLU 83.A OE1 no hydrogen 2.839 N/A THR 116.A N LEU 112.A O no hydrogen 3.026 N/A THR 116.A OG1 LEU 112.A O no hydrogen 2.837 N/A ILE 117.A N MET 113.A O no hydrogen 2.738 N/A ALA 118.A N ASP 114.A O no hydrogen 3.073 N/A TYR 119.A N ARG 115.A O no hydrogen 3.239 N/A TYR 119.A N THR 116.A O no hydrogen 3.213 N/A TYR 119.A OH THR 73.A OG1 no hydrogen 2.773 N/A TYR 120.A N THR 116.A O no hydrogen 2.993 N/A ASN 121.A N ILE 117.A O no hydrogen 3.128 N/A ASN 121.A ND2 GLY 141.A O no hydrogen 2.991 N/A LYS 122.A N TYR 119.A O no hydrogen 3.069 N/A ALA 123.A N TYR 120.A O no hydrogen 2.956 N/A ASP 124.A N ILE 96.A O no hydrogen 2.815 N/A VAL 125.A N ILE 96.A O no hydrogen 3.120 N/A VAL 126.A N LYS 146.A O no hydrogen 2.960 N/A VAL 127.A N LEU 98.A O no hydrogen 2.722 N/A ALA 128.A N VAL 148.A O no hydrogen 2.865 N/A SER 130.A OG LEU 240.A O no hydrogen 2.630 N/A LYS 132.A NZ SER 239.A OG no hydrogen 2.835 N/A MET 133.A N SER 130.A OG no hydrogen 2.999 N/A ILE 134.A N SER 130.A O no hydrogen 3.295 N/A ASP 135.A N GLN 131.A O no hydrogen 2.885 N/A LYS 136.A N LYS 132.A O no hydrogen 3.048 N/A LEU 137.A N MET 133.A O no hydrogen 3.029 N/A ARG 138.A N ILE 134.A O no hydrogen 2.965 N/A ARG 138.A NH2 VAL 144.A O no hydrogen 3.283 N/A ASP 139.A N ASP 135.A O no hydrogen 3.002 N/A GLY 141.A N ARG 138.A O no hydrogen 3.024 N/A MET 142.A N LEU 137.A O no hydrogen 3.012 N/A ASN 143.A N ASN 121.A OD1 no hydrogen 2.960 N/A LYS 146.A NZ GLN 325.A O no hydrogen 3.042 N/A VAL 148.A N VAL 126.A O no hydrogen 2.782 N/A GLN 150.A N ALA 128.A O no hydrogen 2.849 N/A GLY 151.A N PRO 129.A O no hydrogen 3.132 N/A HIS 155.A N LEU 309.A O no hydrogen 2.968 N/A THR 157.A N ARG 310.A O no hydrogen 3.299 N/A THR 157.A OG1 GLU 214.A OE2 no hydrogen 2.459 N/A ALA 159.A N THR 157.A OG1 no hydrogen 3.109 N/A PHE 162.A N SER 221.A OG no hydrogen 2.911 N/A GLY 165.A N GLN 222.A O no hydrogen 2.855 N/A LYS 167.A NZ GLU 169.A OE2 no hydrogen 3.461 N/A ARG 168.A NH1 VAL 287.A O no hydrogen 3.150 N/A ARG 168.A NH1 ASN 289.A O no hydrogen 3.535 N/A ARG 168.A NH1 VAL 290.A O no hydrogen 2.619 N/A ARG 168.A NH2 VAL 290.A O no hydrogen 3.440 N/A ILE 170.A N PRO 190.A O no hydrogen 2.991 N/A HIS 171.A N PHE 225.A O no hydrogen 2.787 N/A PHE 172.A N LYS 192.A O no hydrogen 2.727 N/A GLU 177.A N ASN 175.A OD1 no hydrogen 2.751 N/A ARG 178.A N ASN 175.A O no hydrogen 2.892 N/A PHE 179.A N ASN 175.A O no hydrogen 3.323 N/A SER 180.A N ASP 231.A OD1 no hydrogen 2.911 N/A SER 180.A OG ASP 231.A OD1 no hydrogen 3.556 N/A GLU 184.A N SER 180.A O no hydrogen 3.299 N/A TRP 185.A N VAL 182.A O no hydrogen 3.047 N/A TRP 185.A NE1 ILE 189.A O no hydrogen 3.045 N/A LEU 191.A N ASN 204.A O no hydrogen 2.981 N/A LYS 192.A N ILE 170.A O no hydrogen 2.683 N/A LYS 192.A NZ GLU 169.A OE2 no hydrogen 2.964 N/A VAL 193.A N HIS 206.A O no hydrogen 3.150 N/A TYR 194.A N PHE 172.A O no hydrogen 3.330 N/A THR 195.A N ILE 208.A O no hydrogen 3.094 N/A GLN 197.A N THR 195.A OG1 no hydrogen 3.359 N/A GLN 197.A NE2 ASN 175.A OD1 no hydrogen 2.591 N/A VAL 205.A N PRO 202.A O no hydrogen 2.966 N/A HIS 206.A N LEU 191.A O no hydrogen 2.767 N/A LYS 207.A NZ GLN 197.A O no hydrogen 3.352 N/A ILE 208.A N VAL 193.A O no hydrogen 2.698 N/A ARG 211.A NH1 GLU 219.A OE1 no hydrogen 2.616 N/A LEU 216.A N PRO 212.A O no hydrogen 3.086 N/A LEU 217.A N ASP 213.A O no hydrogen 2.819 N/A MET 218.A N GLU 214.A O no hydrogen 3.143 N/A GLU 219.A N GLN 215.A O no hydrogen 2.980 N/A MET 220.A N LEU 216.A O no hydrogen 2.994 N/A SER 221.A N LEU 217.A O no hydrogen 3.057 N/A SER 221.A N MET 218.A O no hydrogen 3.233 N/A SER 221.A OG MET 218.A O no hydrogen 2.570 N/A GLN 222.A N GLU 219.A O no hydrogen 3.152 N/A GLY 223.A N MET 220.A O no hydrogen 3.089 N/A GLY 224.A N TYR 295.A OH no hydrogen 3.028 N/A PHE 225.A N GLU 169.A O no hydrogen 3.139 N/A GLY 226.A N PRO 255.A O no hydrogen 3.068 N/A LEU 227.A N HIS 171.A O no hydrogen 3.108 N/A VAL 228.A N ILE 257.A O no hydrogen 2.885 N/A MET 230.A N GLN 259.A OE1 no hydrogen 3.135 N/A LYS 235.A N ASP 232.A O no hydrogen 3.217 N/A LYS 235.A NZ ASP 231.A O no hydrogen 3.374 N/A TYR 237.A OH VAL 103.A O no hydrogen 3.107 N/A SER 239.A N GLU 236.A O no hydrogen 3.098 N/A SER 239.A OG GLU 236.A O no hydrogen 2.890 N/A TYR 241.A N GLN 238.A O no hydrogen 3.208 N/A CYS 242.A SG PRO 129.A O no hydrogen 3.500 N/A CYS 242.A SG ASN 264.A OD1 no hydrogen 3.734 N/A LEU 246.A N SER 243.A OG no hydrogen 3.057 N/A GLY 247.A N TYR 244.A O no hydrogen 3.218 N/A SER 248.A N TYR 244.A O no hydrogen 3.332 N/A SER 248.A OG TYR 244.A O no hydrogen 3.225 N/A PHE 249.A N LYS 245.A O no hydrogen 2.911 N/A LEU 250.A N LEU 246.A O no hydrogen 3.342 N/A ALA 251.A N GLY 247.A O no hydrogen 2.969 N/A ALA 252.A N SER 248.A O no hydrogen 3.092 N/A GLY 253.A N PHE 249.A O no hydrogen 3.029 N/A ILE 254.A N PHE 249.A O no hydrogen 3.373 N/A VAL 256.A N LEU 273.A O no hydrogen 2.969 N/A ILE 257.A N GLY 226.A O no hydrogen 2.706 N/A VAL 258.A N TRP 275.A O no hydrogen 3.055 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.775 N/A GLU 269.A N GLN 265.A O no hydrogen 3.333 N/A ASN 270.A N GLU 266.A O no hydrogen 2.669 N/A ASN 271.A N LEU 267.A O no hydrogen 3.184 N/A ASN 271.A ND2 LEU 267.A O no hydrogen 2.973 N/A GLY 272.A N GLU 269.A O no hydrogen 3.298 N/A LEU 273.A N ILE 268.A O no hydrogen 3.026 N/A TRP 275.A N VAL 256.A O no hydrogen 2.940 N/A VAL 277.A N VAL 258.A O no hydrogen 2.969 N/A LYS 278.A N GLU 282.A OE1 no hydrogen 3.032 N/A GLU 281.A N GLU 281.A OE1 no hydrogen 2.701 N/A GLU 282.A N ASP 279.A OD1 no hydrogen 2.989 N/A ALA 283.A N ASP 279.A O no hydrogen 3.199 N/A ILE 284.A N VAL 280.A O no hydrogen 2.888 N/A MET 285.A N GLU 281.A O no hydrogen 3.165 N/A LYS 286.A N GLU 282.A O no hydrogen 2.971 N/A VAL 287.A N ALA 283.A O no hydrogen 3.210 N/A LYS 288.A N ILE 284.A O no hydrogen 2.946 N/A LYS 288.A NZ ASP 188.A OD1 no hydrogen 3.009 N/A LYS 288.A NZ ASP 188.A OD2 no hydrogen 3.361 N/A ASN 289.A N MET 285.A O no hydrogen 2.871 N/A VAL 290.A N LYS 286.A O no hydrogen 2.822 N/A ASN 291.A N GLU 294.A OE1 no hydrogen 2.818 N/A GLU 294.A N ASN 291.A OD1 no hydrogen 2.436 N/A TYR 295.A N ASN 291.A O no hydrogen 3.086 N/A TYR 295.A OH GLY 224.A O no hydrogen 3.047 N/A ILE 296.A N GLU 292.A O no hydrogen 2.988 N/A GLU 297.A N ASP 293.A O no hydrogen 3.081 N/A LEU 298.A N GLU 294.A O no hydrogen 3.245 N/A VAL 299.A N TYR 295.A O no hydrogen 2.981 N/A LYS 300.A N ILE 296.A O no hydrogen 3.073 N/A LYS 300.A NZ GLU 297.A OE2 no hydrogen 3.167 N/A ASN 301.A N GLU 297.A O no hydrogen 2.896 N/A ASN 301.A ND2 GLY 272.A O no hydrogen 2.890 N/A VAL 302.A N LEU 298.A O no hydrogen 3.002 N/A ARG 303.A N VAL 299.A O no hydrogen 2.917 N/A ARG 303.A NE GLY 253.A O no hydrogen 3.069 N/A ARG 303.A NH1 PHE 162.A O no hydrogen 2.808 N/A ARG 303.A NH2 PHE 162.A O no hydrogen 3.002 N/A ARG 303.A NH2 SER 221.A O no hydrogen 2.986 N/A ARG 303.A NH2 GLY 253.A O no hydrogen 3.440 N/A SER 304.A N LYS 300.A O no hydrogen 3.091 N/A SER 304.A N ASN 301.A O no hydrogen 3.294 N/A SER 304.A OG ASN 301.A O no hydrogen 3.441 N/A PHE 305.A N ASN 301.A O no hydrogen 3.035 N/A ASN 306.A N VAL 302.A O no hydrogen 2.842 N/A ILE 308.A N PHE 305.A O no hydrogen 3.324 N/A ARG 310.A N ASN 306.A O no hydrogen 2.869 N/A ARG 310.A NH1 ALA 159.A O no hydrogen 3.322 N/A ARG 310.A NH1 ALA 251.A O no hydrogen 2.542 N/A ARG 310.A NH2 ALA 159.A O no hydrogen 2.700 N/A LYS 311.A N PRO 307.A O no hydrogen 2.980 N/A GLY 312.A N LEU 309.A O no hydrogen 3.345 N/A PHE 313.A N ILE 308.A O no hydrogen 2.847 N/A PHE 314.A N ASP 154.A OD1 no hydrogen 3.386 N/A THR 315.A N ASP 154.A OD2 no hydrogen 3.001 N/A THR 315.A OG1 ASP 154.A OD2 no hydrogen 2.984 N/A ARG 316.A N GLY 312.A O no hydrogen 2.892 N/A ARG 317.A N PHE 313.A O no hydrogen 3.080 N/A LEU 318.A N PHE 314.A O no hydrogen 3.181 N/A LEU 319.A N THR 315.A O no hydrogen 2.840 N/A THR 320.A N ARG 316.A O no hydrogen 3.003 N/A THR 320.A OG1 ARG 316.A O no hydrogen 2.758 N/A GLU 321.A N ARG 317.A O no hydrogen 2.758 N/A SER 322.A N LEU 318.A O no hydrogen 3.059 N/A SER 322.A OG LEU 318.A O no hydrogen 2.855 N/A PHE 324.A N THR 320.A O no hydrogen 3.174 N/A GLN 325.A N GLU 321.A O no hydrogen 2.861 N/A ALA 326.A N SER 322.A O no hydrogen 2.998 N/A ALA 326.A N VAL 323.A O no hydrogen 3.131 N/A ILE 327.A N PHE 324.A O no hydrogen 3.249 N/A CYS 328.A N PHE 324.A O no hydrogen 3.003 N/A