Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jqj_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 131.A O no hydrogen 2.888 N/A ARG 3.A NE GLN 136.A OE1 no hydrogen 2.878 N/A LEU 4.A N GLN 136.A O no hydrogen 2.773 N/A TYR 5.A N GLN 8.A OE1 no hydrogen 2.514 N/A GLU 7.A N GLU 7.A OE2 no hydrogen 2.401 N/A ALA 11.A N GLN 8.A O no hydrogen 3.209 N/A GLN 12.A N GLN 8.A O no hydrogen 3.207 N/A LEU 13.A N ALA 11.A O no hydrogen 2.379 N/A ASN 14.A N ALA 11.A O no hydrogen 2.589 N/A GLU 15.A N ALA 11.A O no hydrogen 3.328 N/A ARG 18.A N TYR 21.A OH no hydrogen 3.099 N/A ARG 18.A NH2 ASN 132.A O no hydrogen 3.525 N/A TYR 21.A N LEU 110.A O no hydrogen 2.601 N/A LEU 22.A N VAL 135.A O no hydrogen 2.897 N/A LEU 23.A N VAL 112.A O no hydrogen 2.696 N/A LEU 24.A N VAL 137.A O no hydrogen 2.888 N/A GLY 25.A N GLY 114.A O no hydrogen 2.575 N/A ASP 27.A N CYS 139.A O no hydrogen 3.235 N/A LEU 29.A N ASP 27.A OD1 no hydrogen 2.511 N/A LEU 30.A N ASP 27.A OD1 no hydrogen 3.182 N/A LEU 31.A N ASP 27.A O no hydrogen 3.201 N/A GLN 32.A N PRO 28.A O no hydrogen 3.240 N/A GLU 33.A N LEU 29.A O no hydrogen 2.733 N/A SER 34.A N LEU 30.A O no hydrogen 3.043 N/A SER 34.A OG LEU 30.A O no hydrogen 3.451 N/A GLN 35.A N LEU 31.A O no hydrogen 2.937 N/A ASP 36.A N GLU 33.A O no hydrogen 2.777 N/A ALA 37.A N GLU 33.A O no hydrogen 2.764 N/A VAL 38.A N SER 34.A O no hydrogen 3.091 N/A ARG 39.A N GLN 35.A O no hydrogen 3.183 N/A ARG 39.A NH2 HIS 51.A O no hydrogen 3.427 N/A GLN 40.A N ASP 36.A O no hydrogen 2.760 N/A VAL 41.A N ALA 37.A O no hydrogen 2.954 N/A ALA 42.A N VAL 38.A O no hydrogen 2.757 N/A ALA 43.A N ARG 39.A O no hydrogen 2.757 N/A ALA 44.A N GLN 40.A O no hydrogen 3.153 N/A ALA 44.A N VAL 41.A O no hydrogen 3.150 N/A GLU 48.A N GLY 46.A O no hydrogen 2.851 N/A GLU 49.A N ARG 77.A O no hydrogen 3.286 N/A HIS 51.A N THR 79.A O no hydrogen 3.139 N/A PHE 53.A N LEU 81.A O no hydrogen 2.928 N/A ILE 55.A N LEU 83.A O no hydrogen 2.576 N/A ASP 56.A N THR 59.A OG1 no hydrogen 2.952 N/A ASN 58.A N ASP 56.A OD2 no hydrogen 2.665 N/A THR 59.A OG1 SER 54.A O no hydrogen 2.817 N/A THR 59.A OG1 ASP 56.A O no hydrogen 3.273 N/A THR 59.A OG1 ASP 56.A OD2 no hydrogen 3.302 N/A TRP 61.A N THR 59.A O no hydrogen 2.637 N/A ALA 63.A N ASP 60.A OD2 no hydrogen 3.460 N/A PHE 65.A N TRP 61.A O no hydrogen 2.925 N/A SER 66.A N ASN 62.A O no hydrogen 2.748 N/A LEU 67.A N ALA 63.A O no hydrogen 2.896 N/A CYS 68.A N ILE 64.A O no hydrogen 3.202 N/A CYS 68.A SG ILE 64.A O no hydrogen 3.284 N/A GLN 69.A N PHE 65.A O no hydrogen 3.170 N/A ALA 70.A N LEU 67.A O no hydrogen 2.965 N/A SER 72.A OG SER 76.A OG no hydrogen 2.831 N/A PHE 74.A N SER 72.A OG no hydrogen 3.153 N/A ALA 75.A N SER 72.A O no hydrogen 3.371 N/A SER 76.A N SER 72.A OG no hydrogen 3.011 N/A SER 76.A OG SER 72.A OG no hydrogen 2.831 N/A ARG 77.A N GLY 46.A O no hydrogen 3.025 N/A ARG 77.A NE GLN 45.A O no hydrogen 3.135 N/A ARG 77.A NH2 GLN 45.A O no hydrogen 3.131 N/A GLN 78.A N ASP 107.A O no hydrogen 3.201 N/A THR 79.A N GLU 49.A O no hydrogen 2.720 N/A LEU 80.A N LEU 109.A O no hydrogen 3.222 N/A LEU 81.A N HIS 51.A O no hydrogen 2.767 N/A LEU 82.A N ILE 111.A O no hydrogen 2.713 N/A LEU 83.A N PHE 53.A O no hydrogen 2.723 N/A LEU 84.A N ARG 113.A O no hydrogen 3.107 N/A ASN 94.A N ASN 90.A O no hydrogen 3.252 N/A GLU 95.A N ALA 92.A O no hydrogen 2.862 N/A GLN 96.A N ALA 92.A O no hydrogen 3.428 N/A LEU 97.A N ILE 93.A O no hydrogen 2.943 N/A LEU 98.A N ASN 94.A O no hydrogen 3.268 N/A THR 99.A N GLU 95.A O no hydrogen 3.021 N/A LEU 100.A N GLN 96.A O no hydrogen 3.007 N/A THR 101.A N LEU 97.A O no hydrogen 2.698 N/A THR 101.A OG1 LEU 98.A O no hydrogen 2.810 N/A GLY 102.A N THR 99.A O no hydrogen 3.029 N/A LEU 103.A N LEU 100.A O no hydrogen 2.744 N/A LEU 109.A N GLN 78.A O no hydrogen 2.989 N/A LEU 110.A N ALA 19.A O no hydrogen 3.274 N/A ILE 111.A N LEU 80.A O no hydrogen 2.852 N/A VAL 112.A N TYR 21.A O no hydrogen 2.757 N/A ARG 113.A N LEU 82.A O no hydrogen 2.883 N/A GLY 114.A N LEU 23.A O no hydrogen 2.973 N/A GLN 121.A N SER 118.A O no hydrogen 2.411 N/A ASN 123.A N ALA 120.A O no hydrogen 3.173 N/A ASN 123.A ND2 ALA 120.A O no hydrogen 3.031 N/A ALA 124.A N GLN 121.A O no hydrogen 3.297 N/A THR 128.A N ALA 124.A O no hydrogen 3.478 N/A THR 128.A OG1 ALA 124.A O no hydrogen 3.030 N/A THR 128.A OG1 ALA 125.A O no hydrogen 2.868 N/A ALA 129.A N ALA 125.A O no hydrogen 3.213 N/A LEU 130.A N TRP 126.A O no hydrogen 3.310 N/A LEU 130.A N PHE 127.A O no hydrogen 2.622 N/A ALA 131.A N PHE 127.A O no hydrogen 2.891 N/A ARG 133.A N LEU 130.A O no hydrogen 2.508 N/A ARG 133.A NH1 THR 101.A O no hydrogen 3.251 N/A ARG 133.A NH2 THR 101.A O no hydrogen 3.460 N/A SER 134.A OG LEU 130.A O no hydrogen 3.141 N/A VAL 135.A N ALA 20.A O no hydrogen 3.071 N/A GLN 136.A N ILE 2.A O no hydrogen 2.782 N/A VAL 137.A N LEU 22.A O no hydrogen 2.685 N/A THR 138.A N LEU 4.A O no hydrogen 3.083 N/A CYS 139.A N LEU 24.A O no hydrogen 2.996 N/A GLN 140.A NE2 CYS 139.A O no hydrogen 3.317 N/A THR 141.A N ASN 26.A OD1 no hydrogen 2.785 N/A THR 141.A OG1 ASP 27.A OD2 no hydrogen 2.983 N/A LEU 147.A N GLU 143.A O no hydrogen 2.504 N/A TRP 150.A N GLN 146.A O no hydrogen 3.349 N/A VAL 151.A N LEU 147.A O no hydrogen 3.058 N/A VAL 151.A N PRO 148.A O no hydrogen 2.585 N/A ALA 152.A N PRO 148.A O no hydrogen 2.711 N/A ALA 153.A N ARG 149.A O no hydrogen 2.699 N/A ARG 154.A N TRP 150.A O no hydrogen 3.074 N/A ARG 154.A NH1 GLU 33.A OE1 no hydrogen 2.950 N/A ARG 154.A NH1 GLU 33.A OE2 no hydrogen 2.863 N/A ARG 154.A NH2 GLU 33.A OE2 no hydrogen 2.633 N/A ALA 155.A N VAL 151.A O no hydrogen 2.766 N/A LYS 156.A N ALA 152.A O no hydrogen 3.109 N/A GLN 157.A N ALA 153.A O no hydrogen 3.004 N/A LEU 158.A N ALA 155.A O no hydrogen 2.677 N/A ASN 159.A N LYS 156.A O no hydrogen 2.596 N/A LEU 160.A N ALA 155.A O no hydrogen 3.287 N/A GLU 161.A N GLY 195.A O no hydrogen 3.034 N/A ASP 163.A N LEU 197.A O no hydrogen 3.324 N/A ASN 167.A N ASP 163.A O no hydrogen 2.921 N/A ASN 167.A N ASP 164.A O no hydrogen 3.214 N/A GLN 168.A N ASP 164.A O no hydrogen 3.369 N/A VAL 169.A N ALA 165.A O no hydrogen 3.085 N/A LEU 170.A N ALA 166.A O no hydrogen 3.100 N/A CYS 171.A N ASN 167.A O no hydrogen 2.965 N/A CYS 171.A SG ASN 167.A O no hydrogen 3.383 N/A TYR 172.A N GLN 168.A O no hydrogen 2.764 N/A CYS 173.A N VAL 169.A O no hydrogen 3.167 N/A CYS 173.A SG VAL 169.A O no hydrogen 3.088 N/A TYR 174.A N LEU 170.A O no hydrogen 3.188 N/A ASN 177.A N TYR 174.A O no hydrogen 2.740 N/A ALA 180.A N ASN 177.A OD1 no hydrogen 2.644 N/A LEU 181.A N ASN 177.A O no hydrogen 3.280 N/A ALA 182.A N LEU 178.A O no hydrogen 2.807 N/A GLN 183.A N LEU 179.A O no hydrogen 2.934 N/A ALA 184.A N ALA 180.A O no hydrogen 2.672 N/A LEU 185.A N LEU 181.A O no hydrogen 3.065 N/A GLU 186.A N ALA 182.A O no hydrogen 2.912 N/A ARG 187.A N GLN 183.A O no hydrogen 3.004 N/A LEU 188.A N ALA 184.A O no hydrogen 2.977 N/A SER 189.A N LEU 185.A O no hydrogen 2.846 N/A LEU 190.A N GLU 186.A O no hydrogen 3.370 N/A LEU 191.A N ARG 187.A O no hydrogen 3.074 N/A TRP 192.A N LEU 188.A O no hydrogen 2.910 N/A TRP 192.A N SER 189.A O no hydrogen 3.386 N/A GLY 195.A N TRP 192.A O no hydrogen 2.799 N/A LYS 196.A N ASP 194.A OD1 no hydrogen 2.634 N/A LYS 196.A NZ GLU 161.A OE1 no hydrogen 3.162 N/A LYS 196.A NZ ASP 194.A O no hydrogen 3.563 N/A VAL 202.A N THR 198.A O no hydrogen 3.042 N/A GLU 203.A N LEU 199.A O no hydrogen 2.861 N/A GLN 204.A N PRO 200.A O no hydrogen 2.713 N/A ALA 205.A N ARG 201.A O no hydrogen 2.666 N/A VAL 206.A N VAL 202.A O no hydrogen 2.756 N/A ASN 207.A N GLU 203.A O no hydrogen 2.558 N/A ALA 209.A N GLN 204.A O no hydrogen 3.402 N/A PHE 215.A N PHE 212.A O no hydrogen 2.829 N/A HIS 216.A N THR 213.A O no hydrogen 2.537 N/A TRP 217.A N THR 213.A O no hydrogen 3.403 N/A VAL 218.A N PRO 214.A O no hydrogen 2.663 N/A ALA 220.A N HIS 216.A O no hydrogen 3.155 N/A LEU 221.A N TRP 217.A O no hydrogen 3.016 N/A LEU 222.A N VAL 218.A O no hydrogen 3.326 N/A MET 223.A N ASP 219.A O no hydrogen 3.076 N/A GLY 224.A N LEU 221.A O no hydrogen 2.772 N/A LYS 225.A N ALA 220.A O no hydrogen 2.499 N/A LEU 230.A N SER 226.A O no hydrogen 2.706 N/A HIS 231.A N LYS 227.A O no hydrogen 3.157 N/A ILE 232.A N ARG 228.A O no hydrogen 3.411 N/A LEU 233.A N ALA 229.A O no hydrogen 3.005 N/A GLN 234.A N LEU 230.A O no hydrogen 2.695 N/A GLN 235.A N HIS 231.A O no hydrogen 2.981 N/A LEU 236.A N ILE 232.A O no hydrogen 2.823 N/A ARG 237.A N GLN 234.A O no hydrogen 2.663 N/A LEU 238.A N GLN 235.A O no hydrogen 2.521 N/A ILE 245.A N GLU 242.A O no hydrogen 3.320 N/A LEU 247.A N PRO 243.A O no hydrogen 3.512 N/A THR 249.A N ILE 245.A O no hydrogen 3.384 N/A LEU 250.A N LEU 246.A O no hydrogen 3.293 N/A GLN 251.A N LEU 247.A O no hydrogen 2.533 N/A GLN 251.A NE2 ARG 248.A O no hydrogen 3.540 N/A ARG 252.A N THR 249.A O no hydrogen 2.850 N/A GLU 253.A N THR 249.A O no hydrogen 3.153 N/A LEU 254.A N LEU 250.A O no hydrogen 2.696 N/A LEU 256.A N ARG 252.A O no hydrogen 2.765 N/A LEU 257.A N GLU 253.A O no hydrogen 2.969 N/A VAL 258.A N LEU 254.A O no hydrogen 3.086 N/A VAL 258.A N LEU 255.A O no hydrogen 3.124 N/A ASN 259.A N LEU 255.A O no hydrogen 3.121 N/A LEU 260.A N LEU 256.A O no hydrogen 2.582 N/A LYS 261.A N LEU 257.A O no hydrogen 2.788 N/A LYS 261.A NZ LEU 288.A O no hydrogen 2.513 N/A LYS 261.A NZ LEU 291.A O no hydrogen 2.714 N/A ARG 262.A N VAL 258.A O no hydrogen 2.899 N/A GLN 263.A N LEU 260.A O no hydrogen 2.897 N/A GLN 263.A NE2 ASN 259.A O no hydrogen 3.579 N/A THR 267.A OG1 HIS 266.A O no hydrogen 2.567 N/A ALA 271.A N PRO 268.A O no hydrogen 2.490 N/A ASP 274.A N ARG 270.A O no hydrogen 3.178 N/A ARG 280.A NH1 GLU 253.A OE2 no hydrogen 2.466 N/A MET 283.A N ARG 280.A O no hydrogen 2.148 N/A GLY 285.A N ARG 281.A O no hydrogen 2.477 N/A GLU 286.A N MET 283.A O no hydrogen 2.547 N/A ALA 287.A N MET 283.A O no hydrogen 2.722 N/A LEU 288.A N MET 284.A O no hydrogen 3.273 N/A ARG 290.A N GLU 286.A O no hydrogen 2.785 N/A LEU 291.A N ALA 287.A O no hydrogen 2.699 N/A LEU 296.A N SER 292.A O no hydrogen 3.166 N/A ARG 297.A N GLN 293.A O no hydrogen 3.186 N/A ALA 299.A N GLN 295.A O no hydrogen 3.107 N/A VAL 300.A N LEU 296.A O no hydrogen 2.975 N/A GLN 301.A N ARG 297.A O no hydrogen 2.669 N/A LEU 302.A N GLN 298.A O no hydrogen 2.700 N/A LEU 303.A N ALA 299.A O no hydrogen 2.955 N/A THR 304.A N VAL 300.A O no hydrogen 2.983 N/A THR 304.A OG1 VAL 300.A O no hydrogen 2.449 N/A ARG 305.A N GLN 301.A O no hydrogen 3.095 N/A THR 306.A N LEU 302.A O no hydrogen 2.739 N/A THR 306.A OG1 GLU 318.A O no hydrogen 3.182 N/A GLU 307.A N LEU 303.A O no hydrogen 2.986 N/A LEU 308.A N ARG 305.A O no hydrogen 2.569 N/A THR 309.A N ARG 305.A O no hydrogen 2.842 N/A THR 309.A OG1 THR 306.A O no hydrogen 2.975 N/A GLN 312.A N LEU 308.A O no hydrogen 2.808 N/A GLU 320.A N ALA 317.A O no hydrogen 3.008 N/A GLY 321.A N ALA 317.A O no hydrogen 3.346 N/A SER 323.A N LEU 319.A O no hydrogen 2.959 N/A SER 323.A OG LEU 319.A O no hydrogen 2.666 N/A LEU 324.A N GLU 320.A O no hydrogen 2.808 N/A LEU 325.A N GLY 321.A O no hydrogen 2.537 N/A LEU 326.A N LEU 322.A O no hydrogen 2.722 N/A CYS 327.A N LEU 324.A O no hydrogen 3.126 N/A CYS 327.A SG SER 323.A O no hydrogen 3.193 N/A