Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pqd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N ASP 73.A OD2 no hydrogen 2.954 N/A LYS 5.A NZ ASP 68.A O no hydrogen 3.004 N/A LYS 5.A NZ ASP 71.A OD1 no hydrogen 2.712 N/A VAL 6.A N GLU 30.A O no hydrogen 2.685 N/A ALA 7.A N ILE 74.A O no hydrogen 2.771 N/A LEU 8.A N VAL 32.A O no hydrogen 2.738 N/A ILE 9.A N CYS 76.A O no hydrogen 2.793 N/A GLY 10.A N ILE 34.A O no hydrogen 2.971 N/A ALA 11.A N ASP 35.A OD2 no hydrogen 2.648 N/A SER 16.A OG ALA 11.A O no hydrogen 3.439 N/A SER 16.A OG GLY 12.A O no hydrogen 3.115 N/A SER 16.A OG ASP 44.A OD2 no hydrogen 2.776 N/A SER 17.A N PHE 13.A O no hydrogen 3.030 N/A SER 17.A OG PHE 13.A O no hydrogen 2.709 N/A TYR 18.A N VAL 14.A O no hydrogen 3.046 N/A TYR 18.A OH THR 242.A OG1 no hydrogen 2.668 N/A ALA 19.A N GLY 15.A O no hydrogen 2.785 N/A PHE 20.A N SER 16.A O no hydrogen 2.980 N/A ALA 21.A N SER 17.A O no hydrogen 2.717 N/A LEU 22.A N TYR 18.A O no hydrogen 3.146 N/A ILE 23.A N ALA 19.A O no hydrogen 2.940 N/A ASN 24.A N ALA 21.A O no hydrogen 2.932 N/A GLN 25.A N ALA 21.A O no hydrogen 2.831 N/A GLY 26.A N LEU 22.A O no hydrogen 2.918 N/A THR 28.A OG1 ASN 4.A O no hydrogen 3.004 N/A THR 28.A OG1 GLU 30.A O no hydrogen 3.288 N/A LEU 31.A N LYS 60.A O no hydrogen 3.094 N/A VAL 32.A N VAL 6.A O no hydrogen 2.688 N/A VAL 33.A N SER 62.A O no hydrogen 3.357 N/A ILE 34.A N LEU 8.A O no hydrogen 2.874 N/A LYS 40.A N ASN 37.A O no hydrogen 3.221 N/A LYS 40.A N ASN 37.A OD1 no hydrogen 3.466 N/A LYS 40.A NZ ALA 11.A O no hydrogen 2.828 N/A LYS 40.A NZ GLY 12.A O no hydrogen 3.395 N/A LYS 40.A NZ ASP 44.A OD2 no hydrogen 3.209 N/A ALA 41.A N ASN 37.A O no hydrogen 3.496 N/A MET 42.A N LYS 38.A O no hydrogen 2.984 N/A GLY 43.A N GLU 39.A O no hydrogen 2.871 N/A ASP 44.A N LYS 40.A O no hydrogen 2.912 N/A ASP 44.A N ALA 41.A O no hydrogen 2.860 N/A VAL 45.A N ALA 41.A O no hydrogen 2.855 N/A MET 46.A N MET 42.A O no hydrogen 3.370 N/A LEU 48.A N ASP 44.A O no hydrogen 3.038 N/A ASN 49.A N VAL 45.A O no hydrogen 2.913 N/A ASN 49.A ND2 THR 61.A O no hydrogen 2.439 N/A HIS 50.A N MET 46.A O no hydrogen 3.218 N/A GLY 51.A N LEU 48.A O no hydrogen 2.869 N/A LYS 52.A N ASN 49.A O no hydrogen 3.277 N/A PHE 54.A N GLY 51.A O no hydrogen 2.802 N/A ALA 55.A N LYS 52.A O no hydrogen 2.797 N/A LYS 60.A N ASP 29.A O no hydrogen 3.230 N/A SER 62.A N LEU 31.A O no hydrogen 3.197 N/A SER 62.A OG TYR 63.A O no hydrogen 3.474 N/A THR 65.A N ASP 68.A OD2 no hydrogen 2.947 N/A ASP 68.A N THR 65.A O no hydrogen 2.986 N/A CYS 69.A N TYR 66.A O no hydrogen 2.906 N/A LYS 70.A N GLU 67.A O no hydrogen 3.162 N/A ALA 72.A N CYS 69.A O no hydrogen 3.330 N/A ASP 73.A N LYS 5.A O no hydrogen 3.008 N/A ILE 74.A N LYS 5.A O no hydrogen 3.289 N/A VAL 75.A N ILE 115.A O no hydrogen 2.823 N/A CYS 76.A N ALA 7.A O no hydrogen 2.701 N/A CYS 76.A SG LEU 117.A O no hydrogen 3.219 N/A ILE 77.A N LEU 117.A O no hydrogen 2.749 N/A CYS 78.A N ILE 9.A O no hydrogen 2.773 N/A GLN 83.A NE2 GLU 87.A O no hydrogen 3.489 N/A LYS 84.A N GLU 87.A OE2 no hydrogen 2.800 N/A THR 88.A N GLU 91.A OE1 no hydrogen 2.812 N/A GLU 91.A N THR 88.A OG1 no hydrogen 3.150 N/A LEU 92.A N THR 88.A O no hydrogen 3.122 N/A VAL 93.A N ARG 89.A O no hydrogen 2.693 N/A GLU 94.A N LEU 90.A O no hydrogen 3.026 N/A LYS 95.A N GLU 91.A O no hydrogen 3.248 N/A ASN 96.A N LEU 92.A O no hydrogen 2.731 N/A ASN 96.A ND2 ALA 81.A O no hydrogen 3.517 N/A ASN 96.A ND2 ASN 121.A O no hydrogen 3.025 N/A LEU 97.A N VAL 93.A O no hydrogen 2.691 N/A PHE 100.A N ASN 96.A O no hydrogen 3.082 N/A GLY 102.A N LYS 98.A O no hydrogen 3.366 N/A ILE 103.A N ILE 99.A O no hydrogen 2.954 N/A VAL 104.A N PHE 100.A O no hydrogen 3.151 N/A SER 105.A OG LYS 101.A O no hydrogen 2.484 N/A SER 105.A OG GLY 102.A O no hydrogen 3.493 N/A GLU 106.A N GLY 102.A O no hydrogen 3.291 N/A VAL 107.A N ILE 103.A O no hydrogen 2.825 N/A MET 108.A N VAL 104.A O no hydrogen 2.818 N/A ALA 109.A N SER 105.A O no hydrogen 2.792 N/A SER 110.A N GLU 106.A O no hydrogen 2.999 N/A SER 110.A N VAL 107.A O no hydrogen 3.158 N/A SER 110.A OG VAL 107.A O no hydrogen 2.709 N/A GLY 111.A N MET 108.A O no hydrogen 3.198 N/A ILE 115.A N ASP 73.A O no hydrogen 3.222 N/A PHE 116.A N ARG 140.A O no hydrogen 3.042 N/A LEU 117.A N VAL 75.A O no hydrogen 2.702 N/A VAL 118.A N ILE 142.A O no hydrogen 2.944 N/A ALA 119.A N ILE 77.A O no hydrogen 2.728 N/A THR 120.A OG1 ALA 79.A O no hydrogen 2.818 N/A LEU 126.A N PRO 122.A O no hydrogen 3.201 N/A THR 127.A N VAL 123.A O no hydrogen 2.889 N/A THR 127.A N ASP 124.A O no hydrogen 2.981 N/A THR 127.A OG1 VAL 123.A O no hydrogen 2.621 N/A TYR 128.A N ASP 124.A O no hydrogen 3.032 N/A TYR 128.A OH ASP 267.A OD1 no hydrogen 2.359 N/A ALA 129.A N ILE 125.A O no hydrogen 3.097 N/A THR 130.A N LEU 126.A O no hydrogen 3.265 N/A THR 130.A OG1 LEU 126.A O no hydrogen 3.148 N/A TRP 131.A N THR 127.A O no hydrogen 3.156 N/A LYS 132.A N TYR 128.A O no hydrogen 3.189 N/A PHE 133.A N ALA 129.A O no hydrogen 2.943 N/A SER 134.A N THR 130.A O no hydrogen 2.894 N/A SER 134.A OG THR 130.A O no hydrogen 3.184 N/A GLY 135.A N TRP 131.A O no hydrogen 3.295 N/A LEU 136.A N SER 134.A OG no hydrogen 2.920 N/A ARG 140.A N PRO 137.A O no hydrogen 2.934 N/A ARG 140.A NE GLY 114.A O no hydrogen 2.820 N/A ARG 140.A NH2 ASP 113.A OD1 no hydrogen 3.143 N/A ARG 140.A NH2 GLY 114.A O no hydrogen 3.113 N/A ILE 142.A N PHE 116.A O no hydrogen 3.015 N/A SER 144.A N VAL 118.A O no hydrogen 3.227 N/A SER 144.A OG VAL 118.A O no hydrogen 3.415 N/A THR 146.A N THR 254.A O no hydrogen 3.007 N/A THR 146.A OG1 ILE 172.A O no hydrogen 2.706 N/A THR 146.A OG1 THR 254.A O no hydrogen 3.444 N/A THR 146.A OG1 THR 254.A OG1 no hydrogen 3.007 N/A THR 147.A N SER 144.A O no hydrogen 3.199 N/A THR 147.A OG1 SER 144.A O no hydrogen 2.778 N/A THR 147.A OG1 SER 237.A OG no hydrogen 3.269 N/A SER 150.A N THR 146.A O no hydrogen 2.728 N/A SER 150.A OG THR 146.A O no hydrogen 3.449 N/A ALA 151.A N THR 147.A O no hydrogen 2.774 N/A ARG 152.A N LEU 148.A O no hydrogen 2.785 N/A PHE 153.A N ASP 149.A O no hydrogen 2.929 N/A ARG 154.A N SER 150.A O no hydrogen 2.467 N/A ARG 154.A NH1 VAL 168.A O no hydrogen 2.753 N/A PHE 155.A N ALA 151.A O no hydrogen 2.993 N/A MET 156.A N ARG 152.A O no hydrogen 3.226 N/A LEU 157.A N PHE 153.A O no hydrogen 2.957 N/A SER 158.A N ARG 154.A O no hydrogen 2.801 N/A SER 158.A OG ALA 163.A O no hydrogen 2.526 N/A GLU 159.A N PHE 155.A O no hydrogen 2.971 N/A TYR 160.A N MET 156.A O no hydrogen 3.152 N/A PHE 161.A N LEU 157.A O no hydrogen 3.039 N/A PHE 161.A N SER 158.A O no hydrogen 3.156 N/A GLY 162.A N SER 158.A O no hydrogen 2.812 N/A ALA 163.A N SER 158.A O no hydrogen 3.371 N/A ASN 167.A N ALA 164.A O no hydrogen 3.077 N/A HIS 169.A N ASN 188.A O no hydrogen 2.943 N/A ILE 172.A N SER 150.A OG no hydrogen 2.896 N/A ILE 173.A N LEU 181.A O no hydrogen 3.030 N/A GLY 174.A N GLY 271.A O no hydrogen 2.929 N/A HIS 176.A N ASP 124.A OD2 no hydrogen 3.124 N/A HIS 176.A ND1 ASP 149.A OD1 no hydrogen 2.780 N/A HIS 176.A ND1 ASP 149.A OD2 no hydrogen 2.996 N/A THR 179.A N GLU 175.A OE1 no hydrogen 2.776 N/A THR 179.A OG1 GLU 175.A OE1 no hydrogen 2.466 N/A THR 179.A OG1 SER 300.A OG no hydrogen 2.717 N/A LEU 181.A N ILE 173.A O no hydrogen 3.445 N/A VAL 183.A N HIS 171.A O no hydrogen 3.108 N/A SER 185.A N GLU 293.A OE2 no hydrogen 3.175 N/A SER 185.A OG GLU 293.A OE1 no hydrogen 2.549 N/A HIS 186.A N VAL 183.A O no hydrogen 2.931 N/A HIS 186.A NE2 ASN 288.A O no hydrogen 2.932 N/A ALA 187.A N TRP 184.A O no hydrogen 3.241 N/A ASN 188.A ND2 HIS 186.A O no hydrogen 2.826 N/A VAL 189.A N VAL 192.A O no hydrogen 3.029 N/A GLY 190.A N ASN 167.A O no hydrogen 3.174 N/A VAL 192.A N VAL 189.A O no hydrogen 3.448 N/A VAL 194.A N ALA 187.A O no hydrogen 3.193 N/A GLU 196.A N PRO 193.A O no hydrogen 3.167 N/A LEU 197.A N VAL 194.A O no hydrogen 2.915 N/A VAL 198.A N VAL 194.A O no hydrogen 3.263 N/A ASN 201.A N VAL 198.A O no hydrogen 2.877 N/A LYS 205.A N ASN 201.A O no hydrogen 3.242 N/A GLU 208.A N LYS 205.A O no hydrogen 3.111 N/A LEU 209.A N LYS 205.A O no hydrogen 3.431 N/A ASP 210.A N GLU 207.A O no hydrogen 2.985 N/A GLN 211.A N GLU 207.A O no hydrogen 3.045 N/A ILE 212.A N GLU 208.A O no hydrogen 2.981 N/A VAL 213.A N LEU 209.A O no hydrogen 3.223 N/A ASP 214.A N ASP 210.A O no hydrogen 2.898 N/A ASP 215.A N GLN 211.A O no hydrogen 2.626 N/A VAL 216.A N ILE 212.A O no hydrogen 3.005 N/A VAL 216.A N VAL 213.A O no hydrogen 2.909 N/A LYS 217.A N VAL 213.A O no hydrogen 3.096 N/A ASN 218.A N ASP 214.A O no hydrogen 3.292 N/A ASN 218.A ND2 ASP 214.A O no hydrogen 3.571 N/A ASN 218.A ND2 ASP 214.A OD1 no hydrogen 3.322 N/A ALA 219.A N VAL 216.A O no hydrogen 3.321 N/A HIS 222.A N ASN 218.A O no hydrogen 3.308 N/A ILE 223.A N ALA 219.A O no hydrogen 3.126 N/A GLU 225.A N TYR 221.A O no hydrogen 3.311 N/A LYS 226.A N ILE 223.A O no hydrogen 2.973 N/A LYS 227.A N ILE 223.A O no hydrogen 3.146 N/A MET 236.A N TYR 232.A O no hydrogen 3.293 N/A SER 237.A N GLY 233.A O no hydrogen 3.000 N/A SER 237.A OG THR 147.A OG1 no hydrogen 3.269 N/A LEU 238.A N VAL 234.A O no hydrogen 3.007 N/A ALA 239.A N ALA 235.A O no hydrogen 2.853 N/A ARG 240.A N MET 236.A O no hydrogen 2.610 N/A ARG 240.A NH1 GLU 249.A OE1 no hydrogen 3.328 N/A ARG 240.A NH1 GLU 249.A OE2 no hydrogen 3.145 N/A ARG 240.A NH2 GLU 249.A OE1 no hydrogen 2.797 N/A ILE 241.A N SER 237.A O no hydrogen 3.259 N/A ILE 241.A N LEU 238.A O no hydrogen 2.900 N/A THR 242.A N LEU 238.A O no hydrogen 3.065 N/A THR 242.A OG1 TYR 18.A OH no hydrogen 2.668 N/A LYS 243.A N ALA 239.A O no hydrogen 3.017 N/A LYS 243.A NZ GLU 249.A OE2 no hydrogen 2.929 N/A ALA 244.A N ARG 240.A O no hydrogen 3.061 N/A ILE 245.A N ILE 241.A O no hydrogen 2.823 N/A LEU 246.A N THR 242.A O no hydrogen 2.558 N/A HIS 247.A N LYS 243.A O no hydrogen 2.864 N/A ASN 248.A N ILE 245.A O no hydrogen 3.182 N/A GLU 249.A N ALA 244.A O no hydrogen 3.160 N/A SER 251.A N VAL 276.A O no hydrogen 2.963 N/A SER 251.A OG GLU 249.A OE1 no hydrogen 2.536 N/A LEU 253.A N ALA 274.A O no hydrogen 2.802 N/A THR 254.A OG1 THR 146.A OG1 no hydrogen 3.007 N/A VAL 255.A N LEU 253.A O no hydrogen 3.014 N/A SER 256.A N GLY 143.A O no hydrogen 3.006 N/A SER 256.A OG ASP 124.A OD1 no hydrogen 2.532 N/A THR 257.A N ILE 270.A O no hydrogen 2.749 N/A THR 257.A OG1 TYR 258.A O no hydrogen 3.484 N/A TYR 258.A OH ASP 260.A OD1 no hydrogen 3.335 N/A TYR 258.A OH ASP 267.A OD1 no hydrogen 3.272 N/A LEU 259.A N VAL 268.A O no hydrogen 3.128 N/A GLY 261.A N ALA 265.A O no hydrogen 2.475 N/A GLN 262.A N GLN 262.A OE1 no hydrogen 2.807 N/A TYR 263.A OH THR 285.A O no hydrogen 2.542 N/A GLY 264.A N GLY 261.A O no hydrogen 3.244 N/A ALA 265.A N GLN 262.A O no hydrogen 3.257 N/A ASP 267.A N ASP 260.A OD1 no hydrogen 3.173 N/A TYR 269.A OH LYS 138.A O no hydrogen 2.952 N/A TYR 269.A OH VAL 141.A O no hydrogen 3.365 N/A ILE 270.A N THR 257.A O no hydrogen 3.151 N/A GLY 271.A N GLY 174.A O no hydrogen 3.027 N/A ALA 274.A N LEU 253.A O no hydrogen 2.873 N/A VAL 275.A N GLY 283.A O no hydrogen 2.902 N/A VAL 276.A N SER 251.A O no hydrogen 2.564 N/A ASN 277.A N GLY 280.A O no hydrogen 2.899 N/A ASN 277.A ND2 ASN 250.A OD1 no hydrogen 2.479 N/A ARG 278.A NH1 ARG 278.A O no hydrogen 2.499 N/A GLY 279.A N ASN 277.A OD1 no hydrogen 2.785 N/A GLY 280.A N ASN 277.A O no hydrogen 2.645 N/A ILE 281.A N GLU 139.A O no hydrogen 3.008 N/A ALA 282.A N VAL 275.A O no hydrogen 2.958 N/A THR 285.A N PRO 273.A O no hydrogen 3.152 N/A LEU 287.A N TYR 263.A OH no hydrogen 3.237 N/A ASN 290.A N GLU 293.A OE1 no hydrogen 3.379 N/A GLU 293.A N ASN 290.A O no hydrogen 2.894 N/A GLU 293.A N ASN 290.A OD1 no hydrogen 2.825 N/A LYS 294.A N ASN 290.A O no hydrogen 3.000 N/A GLU 295.A N GLU 291.A O no hydrogen 3.272 N/A GLN 296.A N LYS 292.A O no hydrogen 3.303 N/A PHE 297.A N GLU 293.A O no hydrogen 2.899 N/A LEU 298.A N LYS 294.A O no hydrogen 3.003 N/A HIS 299.A N GLU 295.A O no hydrogen 3.354 N/A SER 300.A N GLN 296.A O no hydrogen 3.099 N/A SER 300.A OG THR 179.A O no hydrogen 3.102 N/A SER 300.A OG THR 179.A OG1 no hydrogen 2.717 N/A ALA 301.A N PHE 297.A O no hydrogen 3.257 N/A GLY 302.A N LEU 298.A O no hydrogen 2.997 N/A VAL 303.A N HIS 299.A O no hydrogen 3.194 N/A LEU 304.A N SER 300.A O no hydrogen 3.306 N/A LYS 305.A N ALA 301.A O no hydrogen 3.094 N/A LYS 305.A NZ ASP 266.A O no hydrogen 2.704 N/A LYS 305.A NZ ASP 267.A O no hydrogen 3.392 N/A ASN 306.A N GLY 302.A O no hydrogen 2.772 N/A ILE 307.A N LEU 304.A O no hydrogen 3.485 N/A LEU 308.A N LEU 304.A O no hydrogen 3.219 N/A LYS 309.A N LYS 305.A O no hydrogen 3.262 N/A