Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tg1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N VAL 16.A O no hydrogen 3.044 N/A ARG 6.A NH1 GLU 15.A OE1 no hydrogen 3.419 N/A LEU 9.A N THR 12.A O no hydrogen 2.905 N/A THR 12.A N ASN 10.A O no hydrogen 2.658 N/A TRP 14.A N GLN 7.A O no hydrogen 2.886 N/A GLU 15.A N TYR 99.A OH no hydrogen 2.999 N/A GLU 18.A N THR 3.A O no hydrogen 2.657 N/A ARG 19.A NH1 ASP 39.A OD1 no hydrogen 3.520 N/A ARG 19.A NH1 ASP 39.A OD2 no hydrogen 2.540 N/A TYR 20.A N PRO 17.A O no hydrogen 2.841 N/A TYR 20.A OH ASP 84.A OD2 no hydrogen 2.384 N/A GLN 21.A N PHE 38.A O no hydrogen 2.908 N/A SER 24.A N ALA 36.A O no hydrogen 2.653 N/A VAL 26.A N VAL 34.A O no hydrogen 2.964 N/A TYR 31.A OH SER 28.A O no hydrogen 2.528 N/A SER 33.A N LYS 50.A O no hydrogen 3.063 N/A VAL 34.A N GLY 27.A O no hydrogen 2.936 N/A CYS 35.A N VAL 48.A O no hydrogen 2.807 N/A ALA 36.A N SER 24.A O no hydrogen 2.748 N/A ALA 37.A N VAL 46.A O no hydrogen 2.651 N/A ASP 39.A N HIS 44.A O no hydrogen 2.895 N/A THR 40.A N ARG 19.A O no hydrogen 2.979 N/A THR 40.A OG1 ARG 19.A O no hydrogen 3.156 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 2.938 N/A GLY 43.A N ASP 39.A O no hydrogen 2.739 N/A VAL 46.A N ALA 37.A O no hydrogen 3.163 N/A ALA 47.A N THR 102.A O no hydrogen 2.623 N/A VAL 48.A N CYS 35.A O no hydrogen 2.877 N/A LYS 49.A N LEU 100.A O no hydrogen 2.750 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 3.192 N/A LYS 49.A NZ ASP 164.A OD1 no hydrogen 3.416 N/A LYS 50.A N SER 33.A O no hydrogen 2.587 N/A LYS 50.A NZ THR 12.A OG1 no hydrogen 3.177 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.551 N/A LEU 51.A N VAL 98.A O no hydrogen 2.625 N/A ALA 61.A N SER 57.A O no hydrogen 2.733 N/A LYS 62.A N ILE 58.A O no hydrogen 2.924 N/A LYS 62.A NZ GLU 310.A O no hydrogen 2.793 N/A ARG 63.A N ILE 59.A O no hydrogen 2.980 N/A THR 64.A N HIS 60.A O no hydrogen 2.712 N/A THR 64.A OG1 PRO 54.A O no hydrogen 3.116 N/A THR 64.A OG1 HIS 60.A O no hydrogen 3.069 N/A TYR 65.A N ALA 61.A O no hydrogen 2.859 N/A ARG 66.A N LYS 62.A O no hydrogen 2.694 N/A ARG 66.A NE GLU 310.A OE1 no hydrogen 3.228 N/A ARG 66.A NH2 GLU 310.A OE2 no hydrogen 2.992 N/A GLU 67.A N ARG 63.A O no hydrogen 3.000 N/A LEU 68.A N THR 64.A O no hydrogen 3.217 N/A ARG 69.A N TYR 65.A O no hydrogen 3.008 N/A ARG 69.A NH2 ASP 306.A O no hydrogen 2.728 N/A LEU 70.A N ARG 66.A O no hydrogen 2.973 N/A LEU 71.A N GLU 67.A O no hydrogen 2.871 N/A LYS 72.A N LEU 68.A O no hydrogen 2.830 N/A LYS 72.A NZ GLU 326.A O no hydrogen 2.627 N/A LYS 72.A NZ GLU 326.A OE1 no hydrogen 2.802 N/A HIS 73.A N ARG 69.A O no hydrogen 3.114 N/A HIS 73.A N LEU 70.A O no hydrogen 3.230 N/A MET 74.A N LEU 70.A O no hydrogen 3.393 N/A LYS 75.A N TYR 136.A OH no hydrogen 3.090 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.846 N/A ASN 78.A ND2 LEU 160.A O no hydrogen 2.935 N/A VAL 79.A N HIS 76.A O no hydrogen 2.853 N/A ILE 80.A N ILE 162.A O no hydrogen 2.846 N/A LEU 83.A N VAL 101.A O no hydrogen 2.858 N/A ASP 84.A N VAL 101.A O no hydrogen 3.398 N/A VAL 85.A N ASP 84.A OD1 no hydrogen 2.660 N/A PHE 86.A N TYR 99.A O no hydrogen 3.056 N/A THR 87.A OG1 ASP 97.A O no hydrogen 3.198 N/A SER 91.A OG GLU 93.A OE1 no hydrogen 3.396 N/A GLU 94.A N SER 91.A O no hydrogen 2.871 N/A VAL 98.A N LEU 51.A O no hydrogen 3.127 N/A TYR 99.A N PHE 86.A O no hydrogen 3.165 N/A LEU 100.A N LYS 49.A O no hydrogen 2.962 N/A VAL 101.A N ASP 84.A O no hydrogen 2.715 N/A THR 102.A N ALA 47.A O no hydrogen 2.946 N/A THR 102.A OG1 HIS 103.A O no hydrogen 3.264 N/A LEU 104.A N ARG 45.A O no hydrogen 3.035 N/A LEU 109.A N LEU 152.A O no hydrogen 2.783 N/A ASN 110.A N ASP 108.A OD1 no hydrogen 2.319 N/A ILE 112.A N ASP 108.A O no hydrogen 3.098 N/A VAL 113.A N LEU 109.A O no hydrogen 3.041 N/A LYS 114.A N ASN 110.A O no hydrogen 3.077 N/A CYS 115.A N ILE 112.A O no hydrogen 2.950 N/A CYS 115.A SG ASN 111.A O no hydrogen 2.901 N/A GLN 116.A N ILE 112.A O no hydrogen 3.071 N/A LYS 117.A NZ LEU 199.A O no hydrogen 3.170 N/A THR 119.A N HIS 122.A ND1 no hydrogen 3.121 N/A HIS 122.A N THR 119.A OG1 no hydrogen 3.184 N/A VAL 123.A N THR 119.A O no hydrogen 3.093 N/A GLN 124.A N ASP 120.A O no hydrogen 2.790 N/A PHE 125.A N ASP 121.A O no hydrogen 2.692 N/A LEU 126.A N HIS 122.A O no hydrogen 2.757 N/A ILE 127.A N VAL 123.A O no hydrogen 2.884 N/A TYR 128.A N GLN 124.A O no hydrogen 2.910 N/A TYR 128.A OH GLU 299.A OE2 no hydrogen 2.530 N/A GLN 129.A N PHE 125.A O no hydrogen 3.138 N/A ILE 130.A N LEU 126.A O no hydrogen 3.081 N/A LEU 131.A N ILE 127.A O no hydrogen 2.987 N/A ARG 132.A N TYR 128.A O no hydrogen 2.901 N/A ARG 132.A NE ASP 298.A O no hydrogen 2.847 N/A ARG 132.A NH1 GLU 77.A OE2 no hydrogen 3.549 N/A ARG 132.A NH1 ASN 78.A OD1 no hydrogen 3.010 N/A ARG 132.A NH2 ASP 298.A O no hydrogen 2.823 N/A ARG 132.A NH2 ASP 298.A OD1 no hydrogen 3.332 N/A GLY 133.A N GLN 129.A O no hydrogen 3.279 N/A LEU 134.A N ILE 130.A O no hydrogen 2.920 N/A LYS 135.A N LEU 131.A O no hydrogen 2.786 N/A LYS 135.A NZ GLU 299.A O no hydrogen 3.019 N/A TYR 136.A N ARG 132.A O no hydrogen 3.209 N/A ILE 137.A N GLY 133.A O no hydrogen 2.713 N/A HIS 138.A N LEU 134.A O no hydrogen 2.908 N/A HIS 138.A NE2 ASP 187.A OD2 no hydrogen 2.698 N/A SER 139.A N LYS 135.A O no hydrogen 2.975 N/A SER 139.A OG LYS 135.A O no hydrogen 2.610 N/A ALA 140.A N TYR 136.A O no hydrogen 3.427 N/A ASP 141.A N HIS 138.A O no hydrogen 2.681 N/A HIS 144.A N ASP 187.A OD2 no hydrogen 3.039 N/A ARG 145.A N ASP 187.A OD1 no hydrogen 2.932 N/A ARG 145.A NE TYR 182.A OH no hydrogen 2.847 N/A ARG 145.A NH2 TYR 182.A OH no hydrogen 2.986 N/A LYS 148.A NZ ASP 146.A OD2 no hydrogen 3.199 N/A ASN 151.A N LYS 148.A O no hydrogen 2.610 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.562 N/A LEU 152.A N PRO 149.A O no hydrogen 2.957 N/A ALA 153.A N LYS 161.A O no hydrogen 3.013 N/A ASN 155.A N GLU 159.A O no hydrogen 2.985 N/A ASN 155.A ND2 GLU 159.A OE2 no hydrogen 2.917 N/A ASP 157.A N ASN 155.A OD1 no hydrogen 2.609 N/A CYS 158.A N ASN 155.A O no hydrogen 3.103 N/A GLU 159.A N ASN 155.A OD1 no hydrogen 3.236 N/A LYS 161.A N ALA 153.A O no hydrogen 2.821 N/A LYS 161.A NZ GLU 77.A O no hydrogen 2.935 N/A ILE 162.A N ASN 78.A O no hydrogen 2.868 N/A LEU 163.A N ASN 151.A O no hydrogen 2.989 N/A THR 167.A OG1 ASP 146.A OD1 no hydrogen 2.575 N/A ARG 168.A NE GLY 207.A O no hydrogen 3.332 N/A ARG 168.A NE GLN 213.A OE1 no hydrogen 3.424 N/A ARG 168.A NH2 GLY 207.A O no hydrogen 3.138 N/A TRP 169.A N ALA 166.A O no hydrogen 2.874 N/A TRP 169.A NE1 GLY 207.A O no hydrogen 3.142 N/A TYR 170.A N THR 167.A O no hydrogen 3.178 N/A TYR 170.A OH GLU 197.A OE1 no hydrogen 2.511 N/A TYR 170.A OH GLU 197.A OE2 no hydrogen 3.313 N/A ARG 171.A N THR 167.A O no hydrogen 3.276 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.552 N/A MET 176.A N PRO 173.A O no hydrogen 2.783 N/A ASN 178.A ND2 LEU 177.A O no hydrogen 2.943 N/A VAL 186.A N ASN 183.A O no hydrogen 2.704 N/A ASP 187.A N GLN 184.A O no hydrogen 2.998 N/A ILE 188.A N THR 185.A O no hydrogen 3.179 N/A SER 190.A OG TYR 170.A O no hydrogen 2.821 N/A VAL 191.A N ASP 187.A O no hydrogen 3.104 N/A GLY 192.A N ILE 188.A O no hydrogen 2.925 N/A CYS 193.A N TRP 189.A O no hydrogen 3.011 N/A CYS 193.A SG TRP 169.A O no hydrogen 3.991 N/A CYS 193.A SG TRP 189.A O no hydrogen 3.494 N/A ILE 194.A N SER 190.A O no hydrogen 2.888 N/A MET 195.A N VAL 191.A O no hydrogen 2.749 N/A ALA 196.A N GLY 192.A O no hydrogen 3.084 N/A GLU 197.A N CYS 193.A O no hydrogen 3.174 N/A LEU 198.A N ILE 194.A O no hydrogen 2.913 N/A LEU 199.A N MET 195.A O no hydrogen 2.923 N/A THR 200.A N GLU 197.A O no hydrogen 3.092 N/A THR 200.A OG1 ALA 196.A O no hydrogen 3.226 N/A GLY 201.A N GLU 197.A O no hydrogen 2.543 N/A ARG 202.A N THR 200.A OG1 no hydrogen 2.933 N/A GLY 207.A N PHE 205.A O no hydrogen 2.912 N/A THR 208.A N ASP 212.A OD1 no hydrogen 2.533 N/A THR 208.A OG1 ASP 212.A OD1 no hydrogen 3.160 N/A HIS 210.A N ASP 212.A OD2 no hydrogen 3.248 N/A ILE 211.A N ASP 209.A O no hydrogen 2.824 N/A GLN 213.A NE2 PHE 205.A O no hydrogen 2.970 N/A LEU 214.A N HIS 210.A O no hydrogen 3.005 N/A LYS 215.A N ILE 211.A O no hydrogen 3.104 N/A LEU 216.A N ASP 212.A O no hydrogen 2.470 N/A ILE 217.A N GLN 213.A O no hydrogen 3.013 N/A LEU 218.A N LEU 214.A O no hydrogen 2.876 N/A ARG 219.A N LYS 215.A O no hydrogen 2.761 N/A LEU 220.A N ILE 217.A O no hydrogen 2.758 N/A VAL 221.A N ILE 217.A O no hydrogen 3.132 N/A GLY 222.A N LEU 218.A O no hydrogen 2.635 N/A THR 223.A N MET 247.A O no hydrogen 3.024 N/A THR 223.A OG1 MET 247.A O no hydrogen 3.406 N/A LYS 231.A NZ ASP 274.A OD2 no hydrogen 2.494 N/A SER 234.A OG SER 236.A OG no hydrogen 3.157 N/A SER 236.A OG SER 234.A OG no hydrogen 3.157 N/A ASN 239.A N GLU 235.A O no hydrogen 3.151 N/A TYR 240.A N SER 236.A O no hydrogen 2.988 N/A ILE 241.A N ALA 237.A O no hydrogen 3.441 N/A SER 243.A N ASN 239.A O no hydrogen 2.662 N/A LEU 244.A N ILE 241.A O no hydrogen 3.035 N/A MET 247.A N THR 223.A OG1 no hydrogen 2.636 N/A LYS 249.A NZ MET 250.A O no hydrogen 2.588 N/A LYS 249.A NZ GLU 268.A OE2 no hydrogen 2.839 N/A MET 250.A N LEU 220.A O no hydrogen 2.969 N/A ALA 253.A N ASN 251.A OD1 no hydrogen 2.810 N/A ASN 254.A N ASN 251.A O no hydrogen 2.638 N/A ASN 254.A ND2 ASN 251.A O no hydrogen 3.270 N/A VAL 255.A N PHE 252.A O no hydrogen 2.947 N/A PHE 256.A N PHE 252.A O no hydrogen 2.820 N/A ALA 259.A N PHE 256.A O no hydrogen 3.127 N/A ALA 263.A N ASN 260.A O no hydrogen 2.760 N/A VAL 264.A N ASN 260.A O no hydrogen 3.249 N/A ASP 265.A N PRO 261.A O no hydrogen 3.133 N/A LEU 266.A N LEU 262.A O no hydrogen 3.160 N/A LEU 267.A N ALA 263.A O no hydrogen 2.884 N/A GLU 268.A N VAL 264.A O no hydrogen 2.987 N/A LYS 269.A N ASP 265.A O no hydrogen 3.134 N/A LYS 269.A N LEU 266.A O no hydrogen 2.711 N/A LYS 269.A NZ ASP 265.A OD2 no hydrogen 2.652 N/A MET 270.A N LEU 267.A O no hydrogen 2.989 N/A LEU 271.A N LEU 267.A O no hydrogen 2.848 N/A SER 275.A OG ASP 276.A OD1 no hydrogen 3.351 N/A ASP 276.A N ASP 274.A OD1 no hydrogen 3.508 N/A LYS 277.A N ASP 274.A O no hydrogen 2.580 N/A ARG 278.A N ASP 274.A O no hydrogen 3.211 N/A ARG 278.A NE VAL 272.A O no hydrogen 2.981 N/A ARG 278.A NH1 GLU 174.A OE2 no hydrogen 2.427 N/A ARG 278.A NH1 THR 185.A O no hydrogen 3.011 N/A ARG 278.A NH2 GLU 174.A OE1 no hydrogen 2.946 N/A ARG 278.A NH2 GLU 174.A OE2 no hydrogen 2.738 N/A ARG 278.A NH2 VAL 272.A O no hydrogen 3.150 N/A ARG 278.A NH2 LEU 273.A O no hydrogen 3.497 N/A ILE 279.A N LYS 269.A O no hydrogen 3.201 N/A GLN 283.A N THR 280.A OG1 no hydrogen 3.013 N/A ALA 284.A N THR 280.A O no hydrogen 2.839 N/A LEU 285.A N ALA 281.A O no hydrogen 2.871 N/A ALA 286.A N GLN 283.A O no hydrogen 3.306 N/A HIS 287.A N ALA 284.A O no hydrogen 3.022 N/A HIS 287.A NE2 ASP 265.A OD2 no hydrogen 2.786 N/A TYR 289.A N HIS 287.A ND1 no hydrogen 2.693 N/A TYR 289.A OH ASP 120.A OD1 no hydrogen 2.685 N/A PHE 290.A N HIS 287.A O no hydrogen 3.039 N/A ALA 291.A N ALA 288.A O no hydrogen 3.413 N/A GLN 292.A NE2 TYR 289.A O no hydrogen 3.522 N/A TYR 293.A N PHE 290.A O no hydrogen 2.787 N/A HIS 294.A N PHE 290.A O no hydrogen 2.678 N/A HIS 294.A N ALA 291.A O no hydrogen 3.196 N/A ASP 295.A N GLU 299.A OE2 no hydrogen 3.275 N/A ASP 298.A N ASP 295.A O no hydrogen 2.677 N/A GLN 307.A N GLN 307.A OE1 no hydrogen 2.581 N/A SER 308.A OG ASP 306.A OD1 no hydrogen 2.479 N/A SER 308.A OG ASP 306.A OD2 no hydrogen 2.625 N/A GLU 310.A N GLN 307.A O no hydrogen 2.914 N/A SER 311.A N SER 308.A O no hydrogen 2.957 N/A SER 311.A OG SER 308.A O no hydrogen 2.643 N/A LEU 315.A N GLU 318.A OE2 no hydrogen 2.578 N/A TRP 319.A N LEU 315.A O no hydrogen 3.193 N/A LYS 320.A N ILE 316.A O no hydrogen 2.852 N/A LYS 320.A NZ PHE 95.A O no hydrogen 2.782 N/A SER 321.A N ASP 317.A O no hydrogen 3.082 N/A SER 321.A OG ASP 317.A O no hydrogen 3.297 N/A SER 321.A OG GLU 318.A O no hydrogen 2.562 N/A LEU 322.A N GLU 318.A O no hydrogen 2.768 N/A THR 323.A N TRP 319.A O no hydrogen 2.889 N/A THR 323.A N LYS 320.A O no hydrogen 3.085 N/A THR 323.A OG1 TRP 319.A O no hydrogen 2.805 N/A TYR 324.A N LYS 320.A O no hydrogen 3.029 N/A ASP 325.A N SER 321.A O no hydrogen 2.850 N/A GLU 326.A N LEU 322.A O no hydrogen 3.450 N/A VAL 327.A N THR 323.A O no hydrogen 2.905 N/A ILE 328.A N TYR 324.A O no hydrogen 2.942 N/A ILE 328.A N ASP 325.A O no hydrogen 3.178 N/A SER 329.A N ASP 325.A O no hydrogen 2.815 N/A SER 329.A OG ASP 325.A O no hydrogen 2.676 N/A SER 329.A OG GLU 326.A O no hydrogen 3.458 N/A