Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qs1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N ILE 169.A O no hydrogen 3.124 N/A SER 4.A OG THR 168.A OG1 no hydrogen 3.259 N/A LEU 7.A N GLY 165.A O no hydrogen 2.576 N/A ASN 8.A N TYR 16.A O no hydrogen 2.791 N/A VAL 10.A N MET 14.A O no hydrogen 2.839 N/A ASN 12.A ND2 ASP 9.A OD1 no hydrogen 2.831 N/A ASN 12.A ND2 ASP 160.A O no hydrogen 2.978 N/A VAL 13.A N VAL 10.A O no hydrogen 2.874 N/A MET 14.A N VAL 10.A O no hydrogen 3.298 N/A TYR 16.A N ASN 8.A O no hydrogen 2.789 N/A GLY 17.A N PHE 30.A O no hydrogen 3.081 N/A ALA 19.A N PHE 28.A O no hydrogen 2.927 N/A GLN 20.A N THR 91.A O no hydrogen 2.869 N/A ILE 21.A N GLN 26.A O no hydrogen 2.969 N/A GLY 22.A N ILE 89.A O no hydrogen 3.119 N/A LYS 25.A N GLY 22.A O no hydrogen 3.362 N/A GLN 26.A N ILE 21.A O no hydrogen 2.931 N/A GLN 26.A NE2 ASN 24.A OD1 no hydrogen 3.016 N/A GLN 26.A NE2 ASP 58.A O no hydrogen 2.940 N/A PHE 28.A N ALA 19.A O no hydrogen 3.025 N/A ALA 29.A N ASP 120.A OD2 no hydrogen 3.021 N/A PHE 30.A N GLY 17.A O no hydrogen 2.842 N/A ILE 31.A N GLY 121.A O no hydrogen 3.066 N/A ASP 33.A N VAL 123.A O no hydrogen 3.048 N/A THR 34.A N SER 214.A OG no hydrogen 2.690 N/A THR 34.A OG1 VAL 212.A O no hydrogen 2.705 N/A GLY 35.A N ASP 33.A OD1 no hydrogen 2.834 N/A SER 36.A OG ASP 33.A OD2 no hydrogen 3.105 N/A ASN 38.A ND2 ILE 132.A O no hydrogen 2.973 N/A TRP 40.A N ILE 122.A O no hydrogen 3.249 N/A TRP 40.A NE1 TYR 76.A OH no hydrogen 3.152 N/A VAL 41.A N ILE 102.A O no hydrogen 2.970 N/A SER 43.A N VAL 104.A O no hydrogen 2.855 N/A SER 43.A OG GLU 103.A OE2 no hydrogen 2.705 N/A ALA 44.A N TYR 57.A O no hydrogen 2.704 N/A GLN 45.A N SER 43.A OG no hydrogen 3.174 N/A CYS 46.A N SER 43.A O no hydrogen 2.702 N/A CYS 46.A SG THR 48.A OG1 no hydrogen 3.257 N/A CYS 46.A SG THR 105.A O no hydrogen 3.192 N/A THR 48.A OG1 THR 107.A OG1 no hydrogen 2.438 N/A CYS 51.A N THR 48.A O no hydrogen 3.130 N/A CYS 51.A SG THR 48.A OG1 no hydrogen 3.665 N/A LYS 52.A N ILE 49.A O no hydrogen 2.975 N/A LYS 52.A NZ LYS 52.A O no hydrogen 3.523 N/A LYS 54.A N CYS 51.A O no hydrogen 2.666 N/A LYS 54.A NZ TYR 114.A O no hydrogen 2.800 N/A LYS 54.A NZ GLY 117.A O no hydrogen 3.395 N/A LYS 54.A NZ PHE 119.A O no hydrogen 3.000 N/A ASN 55.A N ASP 120.A OD1 no hydrogen 3.103 N/A ASN 55.A ND2 LYS 27.A O no hydrogen 2.934 N/A TYR 57.A N PRO 42.A O no hydrogen 2.880 N/A TYR 57.A OH ASP 88.A OD2 no hydrogen 2.781 N/A ASP 58.A N GLN 26.A OE1 no hydrogen 3.240 N/A ASN 60.A N ASP 58.A OD1 no hydrogen 3.228 N/A LYS 61.A NZ ASP 58.A OD2 no hydrogen 2.780 N/A SER 62.A OG THR 64.A OG1 no hydrogen 3.087 N/A SER 62.A OG ASP 88.A OD1 no hydrogen 3.569 N/A SER 62.A OG ASP 88.A OD2 no hydrogen 2.684 N/A LYS 63.A N ASP 23.A OD1 no hydrogen 2.737 N/A THR 64.A N SER 62.A OG no hydrogen 3.127 N/A THR 64.A OG1 SER 62.A OG no hydrogen 3.087 N/A THR 64.A OG1 ASP 88.A OD1 no hydrogen 3.268 N/A GLU 66.A N LYS 87.A O no hydrogen 2.823 N/A GLY 69.A N PHE 85.A O no hydrogen 2.744 N/A THR 70.A N ASP 68.A OD1 no hydrogen 3.353 N/A THR 70.A OG1 ASP 68.A OD1 no hydrogen 2.411 N/A VAL 72.A N GLY 83.A O no hydrogen 2.629 N/A MET 74.A N VAL 81.A O no hydrogen 2.803 N/A THR 80.A N GLY 109.A O no hydrogen 2.860 N/A VAL 81.A N MET 74.A O no hydrogen 3.114 N/A SER 82.A N ASP 106.A O no hydrogen 3.129 N/A SER 82.A OG VAL 72.A O no hydrogen 3.476 N/A GLY 83.A N VAL 72.A O no hydrogen 3.000 N/A PHE 84.A N GLU 103.A O no hydrogen 3.080 N/A PHE 85.A N THR 70.A O no hydrogen 2.913 N/A SER 86.A N PHE 101.A O no hydrogen 2.962 N/A SER 86.A OG GLU 103.A OE1 no hydrogen 2.510 N/A LYS 87.A N GLU 66.A O no hydrogen 3.100 N/A ASP 88.A N TYR 99.A O no hydrogen 2.926 N/A ILE 89.A N ASP 88.A OD1 no hydrogen 2.247 N/A VAL 90.A N PHE 97.A O no hydrogen 2.818 N/A THR 91.A N GLN 20.A O no hydrogen 2.837 N/A THR 91.A OG1 SER 96.A OG no hydrogen 2.882 N/A ILE 92.A N LEU 95.A O no hydrogen 2.987 N/A LEU 95.A N ILE 92.A O no hydrogen 2.659 N/A SER 96.A OG THR 91.A OG1 no hydrogen 2.882 N/A PHE 97.A N VAL 90.A O no hydrogen 3.080 N/A TYR 99.A N ASP 88.A O no hydrogen 2.745 N/A TYR 99.A OH ASP 136.A O no hydrogen 2.429 N/A PHE 101.A N SER 86.A O no hydrogen 2.828 N/A ILE 102.A N LEU 39.A O no hydrogen 2.950 N/A GLU 103.A N PHE 84.A O no hydrogen 2.901 N/A VAL 104.A N VAL 41.A O no hydrogen 2.804 N/A THR 105.A N SER 82.A O no hydrogen 2.735 N/A THR 105.A OG1 SER 82.A O no hydrogen 3.567 N/A ASP 106.A N SER 82.A O no hydrogen 2.899 N/A THR 107.A OG1 THR 48.A OG1 no hydrogen 2.438 N/A THR 107.A OG1 GLU 111B.A OE2 no hydrogen 2.615 N/A ASN 108.A N ASP 106.A OD1 no hydrogen 3.237 N/A TYR 114.A OH ASP 120.A O no hydrogen 2.614 N/A LEU 116.A N PRO 112.A O no hydrogen 2.692 N/A ASP 120.A N ALA 29.A O no hydrogen 2.653 N/A GLY 121.A N ALA 29.A O no hydrogen 3.039 N/A VAL 123.A N ILE 31.A O no hydrogen 2.810 N/A LEU 125.A N ASP 33.A O no hydrogen 2.794 N/A GLY 126.A N SER 36.A O no hydrogen 3.152 N/A TRP 127.A N LEU 190.A O no hydrogen 3.333 N/A LYS 128.A NZ SER 134.A O no hydrogen 2.955 N/A LYS 128.A NZ ASP 136.A OD1 no hydrogen 2.990 N/A LEU 130.A N TRP 127.A O no hydrogen 2.983 N/A SER 131.A N LYS 128.A O no hydrogen 2.996 N/A SER 131.A OG VAL 135.A O no hydrogen 3.560 N/A ILE 132.A N ASN 38.A OD1 no hydrogen 2.874 N/A VAL 135.A N SER 131.A OG no hydrogen 2.719 N/A GLU 141.A N PRO 137.A O no hydrogen 2.898 N/A LEU 142.A N VAL 138.A O no hydrogen 2.895 N/A LYS 143.A N VAL 139.A O no hydrogen 3.108 N/A LYS 143.A NZ GLN 150.A OE1 no hydrogen 3.536 N/A LYS 143.A NZ ASP 315.A OD2 no hydrogen 3.443 N/A ASN 144.A N VAL 140.A O no hydrogen 3.010 N/A ASN 146.A N LYS 143.A O no hydrogen 2.902 N/A LYS 147.A N LEU 142.A O no hydrogen 3.105 N/A LYS 147.A NZ SER 96.A O no hydrogen 2.671 N/A ALA 151.A N ASP 315.A OD2 no hydrogen 2.840 N/A VAL 152.A N GLN 150.A O no hydrogen 2.806 N/A PHE 153.A N PHE 312.A O no hydrogen 3.015 N/A THR 154.A N THR 168.A O no hydrogen 2.775 N/A THR 154.A OG1 THR 168.A O no hydrogen 3.410 N/A PHE 155.A N THR 310.A O no hydrogen 3.069 N/A TYR 156.A N TYR 166.A O no hydrogen 2.914 N/A TYR 156.A OH LYS 325.A O no hydrogen 3.064 N/A LYS 164.A NZ ASN 8.A OD1 no hydrogen 3.136 N/A GLY 165.A N LEU 7.A O no hydrogen 2.792 N/A TYR 166.A N TYR 156.A O no hydrogen 2.753 N/A LEU 167.A N VAL 5.A O no hydrogen 2.912 N/A THR 168.A N THR 154.A O no hydrogen 2.889 N/A THR 168.A OG1 SER 4.A OG no hydrogen 3.259 N/A THR 168.A OG1 THR 154.A OG1 no hydrogen 2.911 N/A ILE 169.A N ASP 3.A O no hydrogen 2.686 N/A GLY 170.A N VAL 152.A O no hydrogen 2.393 N/A PHE 176.A N GLU 173.A O no hydrogen 3.279 N/A TYR 177.A OH ASP 174.A OD1 no hydrogen 3.150 N/A GLU 178.A N LEU 323.A O no hydrogen 3.025 N/A THR 182.A N PHE 321.A O no hydrogen 2.860 N/A GLU 184.A N VAL 319.A O no hydrogen 2.977 N/A LYS 185.A NZ GLU 184.A OE1 no hydrogen 3.539 N/A LEU 186.A N HIS 317.A O no hydrogen 2.677 N/A ASN 187.A N GLN 193.A O no hydrogen 2.947 N/A ASN 187.A ND2 GLN 193.A OE1 no hydrogen 2.852 N/A TRP 192.A NE1 LEU 125.A O no hydrogen 2.971 N/A VAL 194.A N ALA 210.A O no hydrogen 3.015 N/A LEU 196.A N ALA 208.A O no hydrogen 2.525 N/A ASP 197.A N ARG 259.A O no hydrogen 3.035 N/A HIS 199.A N GLU 257.A O no hydrogen 2.565 N/A HIS 199.A NE2 GLY 201.A O no hydrogen 2.837 N/A PHE 200.A N LEU 203.A O no hydrogen 3.131 N/A LEU 203.A N PHE 200.A O no hydrogen 3.036 N/A VAL 205.A N LEU 198.A O no hydrogen 3.277 N/A LYS 207.A N ASP 197.A OD1 no hydrogen 2.530 N/A LYS 207.A NZ ASP 197.A OD2 no hydrogen 3.492 N/A ALA 208.A N LEU 196.A O no hydrogen 2.415 N/A THR 209.A N ASN 296.A O no hydrogen 3.266 N/A ALA 210.A N VAL 194.A O no hydrogen 3.073 N/A ILE 211.A N PHE 298.A O no hydrogen 2.725 N/A VAL 212.A N TRP 192.A O no hydrogen 2.845 N/A ASP 213.A N LEU 300.A O no hydrogen 3.197 N/A SER 214.A N THR 34.A OG1 no hydrogen 3.005 N/A SER 214.A OG PHE 32.A O no hydrogen 2.597 N/A GLY 215.A N ASP 213.A OD1 no hydrogen 2.842 N/A THR 216.A N ASP 213.A O no hydrogen 3.165 N/A THR 216.A OG1 ASP 213.A OD2 no hydrogen 3.036 N/A SER 218.A OG ILE 219.A O no hydrogen 2.930 N/A ILE 219.A N SER 287.A O no hydrogen 3.173 N/A THR 220.A N ILE 299.A O no hydrogen 2.877 N/A ALA 221.A N ILE 289.A O no hydrogen 3.295 N/A THR 223.A N ASP 292.A OD1 no hydrogen 2.825 N/A LEU 226.A N PRO 222.A O no hydrogen 3.285 N/A LEU 226.A N THR 223.A O no hydrogen 3.078 N/A ASN 227.A N THR 223.A O no hydrogen 3.205 N/A LYS 228.A N GLU 224.A O no hydrogen 2.998 N/A PHE 230.A N LEU 226.A O no hydrogen 2.918 N/A LEU 233.A N PHE 230.A O no hydrogen 3.307 N/A VAL 236.A N ILE 245.A O no hydrogen 2.976 N/A LYS 237.A NZ ILE 238.A O no hydrogen 3.140 N/A LYS 237.A NZ LEU 241.A O no hydrogen 2.513 N/A ILE 238.A N LEU 243.A O no hydrogen 2.791 N/A LEU 241.A N ILE 238.A O no hydrogen 3.293 N/A LEU 243.A N LEU 241.A O no hydrogen 2.708 N/A ILE 245.A N VAL 236.A O no hydrogen 2.800 N/A THR 246.A N CYS 284.A O no hydrogen 2.790 N/A THR 246.A OG1 ASP 234.A O no hydrogen 3.194 N/A THR 246.A OG1 ASN 250.A OD1 no hydrogen 3.171 N/A THR 247.A OG1 ASN 249.A OD1 no hydrogen 3.374 N/A CYS 248.A N SER 282.A O no hydrogen 2.722 N/A CYS 248.A SG SER 282.A O no hydrogen 3.598 N/A CYS 248.A SG SER 282.A OG no hydrogen 3.616 N/A ASN 250.A N THR 247.A O no hydrogen 2.836 N/A LYS 252.A NZ ASP 234.A OD1 no hydrogen 2.969 N/A LEU 253.A N ASN 250.A O no hydrogen 2.995 N/A LEU 256.A N LEU 267.A O no hydrogen 2.828 N/A GLU 257.A N HIS 199.A O no hydrogen 2.776 N/A PHE 258.A N TYR 265.A O no hydrogen 2.499 N/A ARG 259.A N ASP 197.A O no hydrogen 3.051 N/A ARG 259.A NH1 GLU 257.A OE1 no hydrogen 2.863 N/A ARG 259.A NH2 GLU 257.A OE1 no hydrogen 2.724 N/A SER 260.A N ASN 263.A O no hydrogen 2.620 N/A SER 260.A OG GLU 184.A OE1 no hydrogen 3.405 N/A SER 260.A OG GLU 184.A OE2 no hydrogen 3.113 N/A SER 260.A OG ASN 263.A O no hydrogen 3.243 N/A THR 262.A OG1 GLU 184.A OE2 no hydrogen 3.427 N/A ASN 263.A N SER 260.A OG no hydrogen 2.874 N/A TYR 265.A N PHE 258.A O no hydrogen 2.427 N/A TYR 265.A OH THR 182.A O no hydrogen 2.905 N/A TYR 265.A OH GLU 184.A OE2 no hydrogen 3.262 N/A THR 266.A N TYR 308.A OH no hydrogen 3.129 N/A LEU 267.A N LEU 256.A O no hydrogen 2.732 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.648 N/A TYR 271.A N GLU 268.A O no hydrogen 2.963 N/A TYR 272.A N PRO 269.A O no hydrogen 3.053 N/A TYR 272.A OH PRO 254.A O no hydrogen 2.569 N/A GLN 274.A N MET 285.A O no hydrogen 2.994 N/A SER 282.A OG PHE 277A.A O no hydrogen 3.333 N/A LEU 283.A N PHE 277A.A O no hydrogen 2.690 N/A CYS 284.A N THR 246.A O no hydrogen 2.770 N/A CYS 284.A SG GLN 274.A O no hydrogen 3.839 N/A MET 285.A N GLN 274.A O no hydrogen 2.552 N/A VAL 286.A N TYR 244.A O no hydrogen 2.599 N/A SER 287.A N TYR 272.A O no hydrogen 2.964 N/A ILE 289.A N ILE 219.A O no hydrogen 3.012 N/A VAL 291.A N ALA 221.A O no hydrogen 2.656 N/A LYS 295.A NZ LYS 207.A O no hydrogen 3.104 N/A LYS 295.A NZ ASN 296.A OD1 no hydrogen 3.180 N/A THR 297.A OG1 THR 209.A OG1 no hydrogen 3.203 N/A PHE 298.A N THR 209.A O no hydrogen 3.231 N/A ILE 299.A N THR 220.A OG1 no hydrogen 2.994 N/A LEU 300.A N ILE 211.A O no hydrogen 2.927 N/A ASP 302.A N THR 216.A O no hydrogen 2.889 N/A MET 305.A N GLY 301.A O no hydrogen 3.336 N/A ARG 306.A N ASP 302.A O no hydrogen 3.238 N/A ARG 306.A N PRO 303.A O no hydrogen 3.154 N/A ARG 306.A NH1 ASN 12.A O no hydrogen 3.262 N/A ARG 306.A NH2 ASN 12.A O no hydrogen 3.449 N/A LYS 307.A NZ THR 266.A O no hydrogen 2.784 N/A LYS 307.A NZ GLU 268.A OE1 no hydrogen 3.099 N/A TYR 308.A N PHE 304.A O no hydrogen 2.992 N/A THR 310.A N PHE 155.A O no hydrogen 3.401 N/A THR 310.A OG1 PHE 155.A O no hydrogen 3.322 N/A VAL 311.A N GLY 320.A O no hydrogen 2.921 N/A PHE 312.A N PHE 153.A O no hydrogen 2.797 N/A ASP 313.A N THR 318.A O no hydrogen 2.780 N/A TYR 314.A N ALA 151.A O no hydrogen 3.354 N/A TYR 314.A OH GLY 126.A O no hydrogen 2.760 N/A ASN 316.A N ASP 313.A O no hydrogen 3.080 N/A HIS 317.A N ASP 313.A O no hydrogen 2.761 N/A HIS 317.A ND1 ASP 189.A OD1 no hydrogen 3.125 N/A THR 318.A N ASP 313.A O no hydrogen 3.213 N/A VAL 319.A N GLU 184.A O no hydrogen 3.050 N/A GLY 320.A N VAL 311.A O no hydrogen 2.674 N/A PHE 321.A N THR 182.A O no hydrogen 2.883 N/A ALA 322.A N PHE 309.A O no hydrogen 3.403 N/A ALA 324.A N LYS 307.A O no hydrogen 3.011 N/A LYS 325.A N PHE 176.A O no hydrogen 2.922 N/A LYS 327.A NZ LYS 326.A O no hydrogen 3.055 N/A PHE 110A.A N THR 107.A O no hydrogen 2.780 N/A PHE 277A.A N LEU 283.A O no hydrogen 3.475 N/A PHE 279A.A N ILE 281C.A O no hydrogen 3.150 N/A GLU 111B.A N THR 107.A O no hydrogen 3.391 N/A