Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jai_gg.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N THR 312.A O no hydrogen 2.889 N/A GLN 3.A NE2 ASP 267.A OD1 no hydrogen 3.138 N/A THR 5.A OG1 LEU 6.A O no hydrogen 3.561 N/A LEU 10.A N VAL 306.A O no hydrogen 2.761 N/A HIS 13.A N LYS 11.A O no hydrogen 2.863 N/A HIS 13.A ND1 SER 34.A OG no hydrogen 2.734 N/A ASN 14.A N ASP 36.A OD2 no hydrogen 2.648 N/A GLY 15.A N ASP 36.A OD2 no hydrogen 3.305 N/A VAL 17.A N TYR 301.A O no hydrogen 3.277 N/A THR 18.A OG1 VAL 65.A O no hydrogen 2.487 N/A GLN 19.A NE2 ASP 67.A OD1 no hydrogen 3.429 N/A ALA 21.A N LEU 31.A O no hydrogen 2.656 N/A THR 22.A OG1 TRP 290.A O no hydrogen 2.979 N/A GLN 25.A N THR 23.A OG1 no hydrogen 3.347 N/A LEU 31.A N ALA 21.A O no hydrogen 3.128 N/A SER 32.A N ILE 40.A O no hydrogen 2.801 N/A SER 32.A OG HIS 13.A NE2 no hydrogen 2.819 N/A SER 34.A OG HIS 13.A ND1 no hydrogen 2.734 N/A SER 34.A OG GLY 15.A O no hydrogen 3.399 N/A SER 34.A OG ASP 36.A OD1 no hydrogen 2.702 N/A ARG 35.A N TRP 16.A O no hydrogen 2.689 N/A ASP 36.A N SER 34.A OG no hydrogen 3.367 N/A THR 38.A OG1 ASP 36.A OD1 no hydrogen 2.575 N/A ILE 39.A N LEU 58.A O no hydrogen 3.197 N/A ILE 40.A N SER 32.A O no hydrogen 2.725 N/A MET 41.A N ARG 56.A O no hydrogen 3.074 N/A TRP 42.A N ILE 30.A O no hydrogen 2.703 N/A TRP 42.A NE1 SER 32.A OG no hydrogen 2.799 N/A LYS 43.A N ILE 53.A O no hydrogen 2.654 N/A LEU 44.A N ASP 28.A O no hydrogen 3.167 N/A ARG 46.A N TYR 51.A O no hydrogen 2.881 N/A THR 49.A N ASP 47.A OD2 no hydrogen 3.267 N/A THR 49.A OG1 ASP 47.A OD2 no hydrogen 2.678 N/A THR 49.A OG1 ASN 50.A OD1 no hydrogen 2.737 N/A ILE 53.A N LYS 43.A O no hydrogen 2.756 N/A GLN 55.A N MET 41.A O no hydrogen 2.977 N/A ARG 56.A N MET 41.A O no hydrogen 2.841 N/A LEU 58.A N ILE 39.A O no hydrogen 2.826 N/A HIS 61.A N ARG 59.A O no hydrogen 2.897 N/A HIS 61.A ND1 ASP 83.A OD2 no hydrogen 2.921 N/A HIS 61.A NE2 SER 79.A OG no hydrogen 2.653 N/A SER 62.A N ASP 83.A OD2 no hydrogen 3.291 N/A VAL 65.A N SER 34.A O no hydrogen 2.458 N/A SER 66.A OG GLY 80.A O no hydrogen 2.880 N/A SER 66.A OG VAL 107.A O no hydrogen 2.740 N/A ASP 67.A N GLY 80.A O no hydrogen 3.135 N/A VAL 69.A N LEU 78.A O no hydrogen 2.668 N/A SER 71.A N PHE 76.A O no hydrogen 3.209 N/A SER 71.A OG PHE 76.A O no hydrogen 2.942 N/A SER 72.A N ASN 116.A OD1 no hydrogen 3.017 N/A GLY 74.A N SER 71.A O no hydrogen 3.183 N/A ALA 77.A N TRP 89.A O no hydrogen 2.757 N/A LEU 78.A N VAL 69.A O no hydrogen 2.587 N/A SER 79.A N ARG 87.A O no hydrogen 2.940 N/A SER 79.A OG HIS 61.A NE2 no hydrogen 2.653 N/A GLY 80.A N ASP 67.A O no hydrogen 2.956 N/A SER 81.A N THR 85.A O no hydrogen 3.473 N/A SER 81.A OG PHE 64.A O no hydrogen 2.417 N/A TRP 82.A N PHE 64.A O no hydrogen 3.204 N/A GLY 84.A N SER 81.A O no hydrogen 3.096 N/A THR 85.A N ASP 83.A OD1 no hydrogen 2.985 N/A THR 85.A OG1 ASP 83.A OD1 no hydrogen 2.864 N/A THR 85.A OG1 ASP 83.A OD2 no hydrogen 2.702 N/A ARG 87.A N SER 79.A O no hydrogen 2.892 N/A LEU 88.A N ARG 98.A O no hydrogen 2.839 N/A TRP 89.A NE1 SER 79.A OG no hydrogen 2.601 N/A ASP 90.A N THR 95.A O no hydrogen 2.998 N/A LEU 91.A N GLN 75.A O no hydrogen 2.671 N/A THR 92.A OG1 GLN 75.A OE1 no hydrogen 3.365 N/A THR 92.A OG1 ASP 90.A OD1 no hydrogen 3.273 N/A THR 93.A N ASP 90.A O no hydrogen 2.895 N/A THR 93.A OG1 ASP 90.A O no hydrogen 2.685 N/A THR 93.A OG1 THR 95.A O no hydrogen 3.527 N/A GLY 94.A N ASP 90.A O no hydrogen 3.107 N/A THR 95.A OG1 THR 96.A O no hydrogen 3.497 N/A THR 97.A N LEU 88.A O no hydrogen 3.126 N/A THR 97.A OG1 LEU 88.A O no hydrogen 2.821 N/A ARG 98.A NE LEU 134.A O no hydrogen 2.750 N/A ARG 98.A NH1 THR 97.A O no hydrogen 3.442 N/A ARG 98.A NH2 LEU 134.A O no hydrogen 3.462 N/A PHE 100.A N LEU 86.A O no hydrogen 2.792 N/A HIS 103.A ND1 ASP 125.A OD2 no hydrogen 3.092 N/A HIS 103.A NE2 SER 121.A O no hydrogen 3.150 N/A HIS 103.A NE2 SER 121.A OG no hydrogen 2.666 N/A LEU 108.A N GLY 122.A O no hydrogen 2.900 N/A SER 109.A N GLY 122.A O no hydrogen 3.435 N/A SER 109.A OG ASP 67.A OD2 no hydrogen 3.452 N/A SER 109.A OG VAL 153.A O no hydrogen 3.507 N/A ALA 111.A N VAL 120.A O no hydrogen 2.595 N/A SER 113.A N GLN 118.A O no hydrogen 2.875 N/A ASN 116.A N SER 113.A O no hydrogen 2.944 N/A GLN 118.A N SER 113.A OG no hydrogen 3.383 N/A GLN 118.A NE2 ASN 132.A OD1 no hydrogen 3.635 N/A ILE 119.A N TRP 131.A O no hydrogen 3.008 N/A VAL 120.A N ALA 111.A O no hydrogen 2.770 N/A SER 121.A N LYS 129.A O no hydrogen 2.992 N/A SER 121.A OG HIS 103.A NE2 no hydrogen 2.666 N/A GLY 122.A N SER 109.A O no hydrogen 3.235 N/A SER 123.A OG ASP 106.A O no hydrogen 2.864 N/A ARG 124.A N ASP 106.A O no hydrogen 3.101 N/A ASP 125.A N SER 123.A OG no hydrogen 2.641 N/A LYS 126.A N SER 123.A O no hydrogen 3.439 N/A THR 127.A OG1 ASP 125.A OD1 no hydrogen 2.892 N/A THR 127.A OG1 ASP 125.A OD2 no hydrogen 2.601 N/A LYS 129.A N SER 121.A O no hydrogen 2.830 N/A LEU 130.A N TYR 139.A O no hydrogen 2.686 N/A TRP 131.A N ILE 119.A O no hydrogen 2.461 N/A TRP 131.A NE1 SER 121.A OG no hydrogen 2.700 N/A ASN 132.A N VAL 136.A O no hydrogen 2.927 N/A ASN 132.A ND2 VAL 136.A O no hydrogen 3.366 N/A GLY 135.A N ASN 132.A O no hydrogen 3.118 N/A CYS 137.A SG LEU 130.A O no hydrogen 3.907 N/A CYS 137.A SG THR 140.A OG1 no hydrogen 3.418 N/A LYS 138.A N LEU 130.A O no hydrogen 2.742 N/A TYR 139.A N LEU 130.A O no hydrogen 3.242 N/A VAL 141.A N ILE 128.A O no hydrogen 2.868 N/A HIS 146.A ND1 ASP 170.A OD1 no hydrogen 2.900 N/A HIS 146.A NE2 SER 166.A OG no hydrogen 2.754 N/A SER 147.A N ASP 170.A OD2 no hydrogen 3.212 N/A VAL 150.A N SER 123.A O no hydrogen 2.991 N/A SER 151.A N CYS 167.A O no hydrogen 2.922 N/A SER 151.A OG LEU 194.A O no hydrogen 2.619 N/A CYS 152.A SG SER 109.A OG no hydrogen 3.579 N/A CYS 152.A SG VAL 153.A O no hydrogen 3.821 N/A CYS 152.A SG VAL 197.A O no hydrogen 3.855 N/A ARG 154.A N VAL 165.A O no hydrogen 3.278 N/A SER 156.A N ILE 163.A O no hydrogen 2.804 N/A SER 156.A OG ASN 161.A O no hydrogen 2.931 N/A SER 156.A OG ILE 163.A O no hydrogen 2.682 N/A ILE 163.A N SER 156.A OG no hydrogen 2.898 N/A ILE 164.A N TRP 176.A O no hydrogen 2.886 N/A VAL 165.A N ARG 154.A O no hydrogen 3.066 N/A SER 166.A N LYS 174.A O no hydrogen 2.713 N/A SER 166.A OG HIS 146.A NE2 no hydrogen 2.754 N/A CYS 167.A N CYS 152.A O no hydrogen 3.085 N/A CYS 167.A SG SER 151.A OG no hydrogen 2.883 N/A CYS 167.A SG CYS 152.A O no hydrogen 3.969 N/A TRP 169.A N TRP 149.A O no hydrogen 2.925 N/A LYS 171.A NZ HIS 190.A O no hydrogen 3.280 N/A LYS 174.A NZ GLU 144.A O no hydrogen 3.533 N/A LYS 174.A NZ SER 145.A O no hydrogen 2.779 N/A VAL 175.A N THR 185.A O no hydrogen 3.029 N/A TRP 176.A N ILE 164.A O no hydrogen 2.985 N/A TRP 176.A NE1 SER 166.A OG no hydrogen 2.677 N/A ASN 177.A N LYS 182.A O no hydrogen 3.150 N/A ASN 177.A ND2 ASN 161.A OD1 no hydrogen 2.838 N/A LEU 178.A N PRO 162.A O no hydrogen 2.986 N/A CYS 181.A N ASN 177.A O no hydrogen 2.674 N/A CYS 181.A SG LEU 178.A O no hydrogen 3.159 N/A LYS 184.A N VAL 175.A O no hydrogen 2.700 N/A LYS 184.A NZ LEU 220.A O no hydrogen 3.329 N/A THR 185.A N VAL 175.A O no hydrogen 3.506 N/A THR 185.A OG1 ASN 186.A O no hydrogen 3.121 N/A THR 185.A OG1 HIS 187.A NE2 no hydrogen 3.077 N/A HIS 187.A N VAL 173.A O no hydrogen 3.157 N/A HIS 190.A NE2 SER 208.A OG no hydrogen 2.617 N/A LEU 194.A N GLY 168.A O no hydrogen 2.976 N/A ASN 195.A N GLY 209.A O no hydrogen 3.127 N/A THR 196.A OG1 VAL 197.A O no hydrogen 3.429 N/A THR 198.A N ALA 207.A O no hydrogen 3.071 N/A THR 198.A OG1 VAL 199.A O no hydrogen 3.343 N/A SER 200.A N LEU 205.A O no hydrogen 2.918 N/A SER 200.A OG SER 204.A OG no hydrogen 3.428 N/A SER 200.A OG LEU 205.A O no hydrogen 3.437 N/A GLY 203.A N SER 200.A O no hydrogen 3.289 N/A GLY 203.A N SER 200.A OG no hydrogen 3.098 N/A SER 204.A N SER 200.A OG no hydrogen 3.197 N/A SER 204.A OG SER 200.A OG no hydrogen 3.428 N/A LEU 205.A N SER 200.A OG no hydrogen 3.090 N/A CYS 206.A N TRP 218.A O no hydrogen 2.851 N/A CYS 206.A SG SER 204.A O no hydrogen 3.744 N/A ALA 207.A N THR 198.A O no hydrogen 2.991 N/A SER 208.A N MET 216.A O no hydrogen 3.008 N/A SER 208.A OG HIS 190.A NE2 no hydrogen 2.617 N/A SER 208.A OG MET 216.A O no hydrogen 3.565 N/A LYS 211.A N TYR 193.A O no hydrogen 2.997 N/A ALA 215.A N LEU 229.A O no hydrogen 2.755 N/A MET 216.A N SER 208.A O no hydrogen 2.923 N/A LEU 217.A N TYR 227.A O no hydrogen 2.896 N/A TRP 218.A N CYS 206.A O no hydrogen 2.801 N/A TRP 218.A NE1 SER 208.A OG no hydrogen 3.134 N/A ASP 219.A N LYS 224.A O no hydrogen 2.723 N/A LEU 220.A N SER 204.A O no hydrogen 2.742 N/A ASN 221.A N ASP 219.A OD1 no hydrogen 3.304 N/A LYS 224.A N ASP 219.A O no hydrogen 3.197 N/A HIS 225.A NE2 THR 228.A OG1 no hydrogen 2.687 N/A LEU 226.A N LEU 217.A O no hydrogen 3.143 N/A THR 228.A OG1 HIS 225.A NE2 no hydrogen 2.687 N/A LEU 229.A N ALA 215.A O no hydrogen 2.993 N/A GLY 232.A N GLY 213.A O no hydrogen 3.096 N/A ASP 233.A N GLY 231.A O no hydrogen 3.112 N/A ILE 234.A N ASP 233.A OD1 no hydrogen 3.029 N/A ILE 235.A N GLY 210.A O no hydrogen 2.912 N/A ASN 236.A N ALA 250.A O no hydrogen 2.900 N/A ASN 236.A ND2 GLN 284.A OE1 no hydrogen 2.969 N/A ASN 236.A ND2 CYS 285.A O no hydrogen 2.991 N/A CYS 239.A N CYS 248.A O no hydrogen 2.850 N/A CYS 239.A SG LEU 238.A O no hydrogen 3.250 N/A CYS 239.A SG LEU 288.A O no hydrogen 3.293 N/A SER 241.A N TRP 246.A O no hydrogen 3.020 N/A SER 241.A OG ASN 243.A OD1 no hydrogen 3.151 N/A ARG 244.A NH1 GLY 294.A O no hydrogen 2.595 N/A LEU 247.A N TRP 258.A O no hydrogen 3.118 N/A CYS 248.A N CYS 239.A O no hydrogen 2.983 N/A CYS 248.A SG LYS 256.A O no hydrogen 3.939 N/A ALA 249.A N LYS 256.A O no hydrogen 2.701 N/A ALA 250.A N ALA 237.A O no hydrogen 2.795 N/A THR 251.A OG1 SER 254.A O no hydrogen 2.675 N/A THR 251.A OG1 SER 254.A OG no hydrogen 2.681 N/A SER 254.A OG THR 251.A OG1 no hydrogen 2.681 N/A SER 254.A OG GLU 268.A OE2 no hydrogen 2.928 N/A LYS 256.A N ALA 249.A O no hydrogen 2.771 N/A LYS 256.A NZ GLY 231.A O no hydrogen 2.862 N/A ILE 257.A N ASP 267.A O no hydrogen 3.440 N/A TRP 258.A N LEU 247.A O no hydrogen 3.185 N/A ASP 259.A N ILE 264.A O no hydrogen 3.113 N/A LEU 260.A N TYR 245.A O no hydrogen 2.811 N/A GLU 261.A N ASP 259.A OD1 no hydrogen 2.819 N/A VAL 266.A N ILE 257.A O no hydrogen 2.726 N/A LEU 269.A N ILE 255.A O no hydrogen 2.935 N/A GLN 271.A N GLN 271.A OE1 no hydrogen 3.041 N/A SER 275.A OG ILE 274.A O no hydrogen 2.602 N/A THR 276.A N ILE 274.A O no hydrogen 2.774 N/A CYS 285.A N GLY 252.A O no hydrogen 2.750 N/A CYS 285.A SG SER 287.A O no hydrogen 3.369 N/A CYS 285.A SG GLY 300.A O no hydrogen 3.491 N/A SER 287.A N GLY 300.A O no hydrogen 3.098 N/A SER 287.A OG THR 18.A O no hydrogen 3.494 N/A ALA 289.A N PHE 298.A O no hydrogen 2.667 N/A SER 291.A N THR 296.A O no hydrogen 2.836 N/A SER 291.A OG ASP 293.A OD1 no hydrogen 3.344 N/A GLY 294.A N SER 291.A O no hydrogen 2.797 N/A LEU 297.A N TRP 309.A O no hydrogen 2.915 N/A PHE 298.A N ALA 289.A O no hydrogen 2.624 N/A ALA 299.A N ARG 307.A O no hydrogen 2.646 N/A GLY 300.A N SER 287.A O no hydrogen 2.723 N/A TYR 301.A N LEU 305.A O no hydrogen 2.826 N/A TYR 301.A OH GLN 271.A OE1 no hydrogen 3.310 N/A THR 302.A N GLN 284.A O no hydrogen 2.920 N/A THR 302.A OG1 GLN 284.A O no hydrogen 2.578 N/A VAL 306.A N LEU 10.A O no hydrogen 3.104 N/A ARG 307.A N ALA 299.A O no hydrogen 2.732 N/A VAL 308.A N GLY 8.A O no hydrogen 3.469 N/A TRP 309.A N LEU 297.A O no hydrogen 2.992 N/A GLN 310.A N THR 5.A O no hydrogen 3.264 N/A GLN 310.A NE2 THR 296.A OG1 no hydrogen 3.419 N/A VAL 311.A N GLN 295.A O no hydrogen 2.906 N/A THR 312.A N GLN 3.A O no hydrogen 3.207 N/A THR 312.A OG1 GLN 3.A O no hydrogen 2.919 N/A