Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s4q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 PRO 3.A O no hydrogen 3.079 N/A ARG 2.A NH2 PRO 84.A O no hydrogen 2.839 N/A TYR 6.A N VAL 17.A O no hydrogen 2.874 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.458 N/A ARG 7.A NH1 GLU 16.A OE1 no hydrogen 3.433 N/A LEU 10.A N THR 13.A O no hydrogen 2.784 N/A THR 13.A N LEU 10.A O no hydrogen 2.776 N/A TRP 15.A N GLN 8.A O no hydrogen 2.999 N/A GLU 16.A N TYR 95.A OH no hydrogen 2.883 N/A VAL 17.A N TYR 6.A O no hydrogen 3.130 N/A GLU 19.A N THR 4.A O no hydrogen 2.913 N/A TYR 21.A N PRO 18.A O no hydrogen 3.407 N/A TYR 21.A OH ASP 80.A OD2 no hydrogen 2.488 N/A GLN 22.A N PHE 34.A O no hydrogen 2.898 N/A SER 25.A N ALA 32.A O no hydrogen 3.216 N/A VAL 27.A N VAL 30.A O no hydrogen 3.048 N/A SER 29.A N LYS 46.A O no hydrogen 3.386 N/A CYS 31.A N VAL 44.A O no hydrogen 2.700 N/A ALA 32.A N SER 25.A O no hydrogen 2.545 N/A ALA 33.A N VAL 42.A O no hydrogen 3.388 N/A PHE 34.A N GLN 22.A O no hydrogen 2.771 N/A ASP 35.A N LEU 40.A O no hydrogen 2.758 N/A THR 36.A N ARG 20.A O no hydrogen 3.453 N/A THR 36.A OG1 ARG 20.A O no hydrogen 2.820 N/A LYS 37.A N ASP 35.A OD1 no hydrogen 3.048 N/A THR 38.A OG1 ASP 35.A OD2 no hydrogen 3.138 N/A ALA 43.A N THR 98.A O no hydrogen 3.219 N/A VAL 44.A N CYS 31.A O no hydrogen 3.077 N/A LYS 45.A N LEU 96.A O no hydrogen 2.903 N/A LYS 45.A NZ GLU 63.A OE1 no hydrogen 3.401 N/A LYS 45.A NZ GLU 63.A OE2 no hydrogen 2.800 N/A LYS 46.A N SER 29.A O no hydrogen 3.126 N/A LYS 46.A NZ THR 13.A OG1 no hydrogen 3.330 N/A LYS 46.A NZ ASP 93.A OD1 no hydrogen 3.291 N/A ARG 49.A NH1 GLN 52.A OE1 no hydrogen 2.799 N/A GLN 52.A N ARG 49.A O no hydrogen 3.319 N/A HIS 56.A N SER 53.A OG no hydrogen 3.426 N/A HIS 56.A ND1 ARG 49.A O no hydrogen 2.833 N/A ALA 57.A N SER 53.A O no hydrogen 3.403 N/A LYS 58.A N ILE 55.A O no hydrogen 2.848 N/A LYS 58.A NZ GLU 302.A O no hydrogen 2.925 N/A LYS 58.A NZ ARG 304.A O no hydrogen 2.975 N/A LYS 58.A NZ ASP 305.A OD1 no hydrogen 3.508 N/A ARG 59.A N ILE 55.A O no hydrogen 2.754 N/A THR 60.A OG1 PRO 50.A O no hydrogen 3.289 N/A THR 60.A OG1 HIS 56.A O no hydrogen 2.700 N/A TYR 61.A N ALA 57.A O no hydrogen 3.367 N/A ARG 62.A N LYS 58.A O no hydrogen 2.947 N/A GLU 63.A N ARG 59.A O no hydrogen 3.345 N/A LEU 64.A N THR 60.A O no hydrogen 3.104 N/A ARG 65.A N TYR 61.A O no hydrogen 2.866 N/A ARG 65.A NH1 TYR 61.A OH no hydrogen 3.539 N/A ARG 65.A NH2 ASP 298.A O no hydrogen 2.972 N/A LEU 66.A N ARG 62.A O no hydrogen 2.707 N/A LEU 67.A N GLU 63.A O no hydrogen 3.068 N/A LYS 68.A N LEU 64.A O no hydrogen 3.049 N/A HIS 69.A NE2 ASP 295.A O no hydrogen 3.169 N/A HIS 69.A NE2 PRO 296.A O no hydrogen 2.980 N/A MET 70.A N LEU 66.A O no hydrogen 3.125 N/A LYS 71.A N TYR 130.A OH no hydrogen 2.705 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 3.075 N/A ASN 74.A ND2 LEU 154.A O no hydrogen 3.072 N/A VAL 75.A N HIS 72.A O no hydrogen 3.146 N/A ILE 76.A N ILE 156.A O no hydrogen 3.075 N/A LEU 79.A N VAL 97.A O no hydrogen 2.773 N/A ASP 80.A N VAL 97.A O no hydrogen 3.218 N/A PHE 82.A N TYR 95.A O no hydrogen 2.990 N/A THR 83.A OG1 ASP 93.A O no hydrogen 2.951 N/A ARG 86.A N GLU 90.A OE1 no hydrogen 3.200 N/A PHE 91.A N LEU 88.A O no hydrogen 3.068 N/A TYR 95.A N PHE 82.A O no hydrogen 2.901 N/A LEU 96.A N LYS 45.A O no hydrogen 2.988 N/A VAL 97.A N ASP 80.A O no hydrogen 2.778 N/A THR 98.A N ALA 43.A O no hydrogen 3.014 N/A THR 98.A OG1 HIS 99.A O no hydrogen 3.037 N/A LEU 100.A N ARG 41.A O no hydrogen 3.074 N/A ALA 103.A N VAL 148.A O no hydrogen 2.984 N/A ASP 104.A N ASN 107.A OD1 no hydrogen 2.898 N/A LEU 105.A N PRO 143.A O no hydrogen 2.915 N/A LEU 105.A N LEU 146.A O no hydrogen 3.006 N/A ASN 106.A N ASP 104.A OD1 no hydrogen 3.141 N/A ASN 107.A N ASP 104.A O no hydrogen 3.010 N/A ASN 107.A N ASP 104.A OD1 no hydrogen 3.138 N/A HIS 116.A N THR 113.A O no hydrogen 3.108 N/A VAL 117.A N THR 113.A O no hydrogen 2.918 N/A GLN 118.A N ASP 114.A O no hydrogen 2.844 N/A GLN 118.A NE2 ASP 114.A O no hydrogen 3.430 N/A GLN 118.A NE2 ASP 114.A OD2 no hydrogen 3.076 N/A PHE 119.A N ASP 115.A O no hydrogen 3.218 N/A LEU 120.A N HIS 116.A O no hydrogen 3.318 N/A ILE 121.A N VAL 117.A O no hydrogen 2.927 N/A TYR 122.A N GLN 118.A O no hydrogen 3.144 N/A TYR 122.A OH GLU 291.A OE2 no hydrogen 2.977 N/A GLN 123.A N PHE 119.A O no hydrogen 3.460 N/A GLN 123.A NE2 PHE 119.A O no hydrogen 2.809 N/A GLN 123.A NE2 CYS 152.A O no hydrogen 2.782 N/A ILE 124.A N LEU 120.A O no hydrogen 3.073 N/A LEU 125.A N ILE 121.A O no hydrogen 3.045 N/A ARG 126.A N TYR 122.A O no hydrogen 2.998 N/A ARG 126.A NH1 ASN 74.A OD1 no hydrogen 2.831 N/A ARG 126.A NH2 GLU 73.A OE2 no hydrogen 2.955 N/A ARG 126.A NH2 ASP 290.A O no hydrogen 3.400 N/A GLY 127.A N GLN 123.A O no hydrogen 3.035 N/A LEU 128.A N ILE 124.A O no hydrogen 2.922 N/A LYS 129.A N LEU 125.A O no hydrogen 2.963 N/A LYS 129.A NZ GLU 291.A O no hydrogen 2.801 N/A TYR 130.A N ARG 126.A O no hydrogen 3.388 N/A ILE 131.A N GLY 127.A O no hydrogen 3.104 N/A HIS 132.A N LEU 128.A O no hydrogen 2.736 N/A HIS 132.A ND1 ILE 136.A O no hydrogen 2.982 N/A SER 133.A N LYS 129.A O no hydrogen 3.078 N/A SER 133.A OG LYS 129.A O no hydrogen 3.069 N/A SER 133.A OG TYR 130.A O no hydrogen 2.910 N/A ALA 134.A N ILE 131.A O no hydrogen 3.138 N/A ASP 135.A N HIS 132.A O no hydrogen 2.878 N/A HIS 138.A N ASP 179.A OD2 no hydrogen 2.951 N/A HIS 138.A NE2 LEU 157.A O no hydrogen 2.784 N/A ARG 139.A N ASP 179.A OD1 no hydrogen 2.875 N/A ASP 140.A N HIS 138.A ND1 no hydrogen 3.401 N/A LYS 142.A N ASN 145.A OD1 no hydrogen 3.275 N/A ASN 145.A N LYS 142.A O no hydrogen 3.238 N/A ASN 145.A ND2 ASP 140.A O no hydrogen 2.798 N/A ALA 147.A N LYS 155.A O no hydrogen 2.965 N/A VAL 148.A N ALA 103.A O no hydrogen 2.896 N/A ASN 149.A N GLU 153.A O no hydrogen 3.449 N/A ASN 149.A ND2 GLU 153.A OE1 no hydrogen 3.243 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.915 N/A CYS 152.A SG HIS 116.A NE2 no hydrogen 3.542 N/A GLU 153.A N ASN 149.A OD1 no hydrogen 3.019 N/A LEU 154.A N GLN 123.A OE1 no hydrogen 3.014 N/A LYS 155.A N ALA 147.A O no hydrogen 2.987 N/A LYS 155.A NZ GLU 73.A O no hydrogen 2.772 N/A ILE 156.A N ASN 74.A O no hydrogen 2.822 N/A LEU 157.A N ASN 145.A O no hydrogen 2.797 N/A ALA 163.A N GLY 199.A O no hydrogen 3.151 N/A TRP 166.A NE1 GLY 199.A O no hydrogen 3.080 N/A TYR 167.A OH GLU 189.A OE1 no hydrogen 3.061 N/A ARG 168.A NE ASP 140.A OD1 no hydrogen 2.964 N/A ARG 168.A NH2 ASP 140.A OD1 no hydrogen 2.833 N/A ILE 172.A N ALA 169.A O no hydrogen 3.212 N/A MET 173.A N ALA 169.A O no hydrogen 3.134 N/A GLN 176.A NE2 HIS 132.A O no hydrogen 2.934 N/A ASP 179.A N GLN 176.A O no hydrogen 3.532 N/A ILE 180.A N THR 177.A O no hydrogen 3.243 N/A SER 182.A OG LEU 141.A O no hydrogen 3.569 N/A SER 182.A OG TYR 167.A O no hydrogen 2.629 N/A VAL 183.A N ASP 179.A O no hydrogen 2.925 N/A GLY 184.A N ILE 180.A O no hydrogen 3.267 N/A CYS 185.A N TRP 181.A O no hydrogen 3.162 N/A CYS 185.A SG TRP 166.A O no hydrogen 3.768 N/A ILE 186.A N SER 182.A O no hydrogen 3.167 N/A MET 187.A N VAL 183.A O no hydrogen 3.045 N/A ALA 188.A N GLY 184.A O no hydrogen 2.965 N/A LEU 190.A N ILE 186.A O no hydrogen 2.800 N/A LEU 191.A N MET 187.A O no hydrogen 2.981 N/A THR 192.A N GLU 189.A O no hydrogen 3.153 N/A THR 192.A OG1 ALA 188.A O no hydrogen 2.748 N/A THR 200.A N ASP 204.A OD2 no hydrogen 3.074 N/A THR 200.A OG1 ASP 201.A OD2 no hydrogen 2.980 N/A GLN 205.A N ASP 201.A O no hydrogen 3.096 N/A GLN 205.A NE2 PHE 197.A O no hydrogen 2.623 N/A LYS 207.A N ILE 203.A O no hydrogen 3.110 N/A LEU 208.A N ASP 204.A O no hydrogen 2.832 N/A ILE 209.A N GLN 205.A O no hydrogen 2.647 N/A LEU 210.A N LEU 206.A O no hydrogen 3.019 N/A ARG 211.A N LEU 208.A O no hydrogen 3.247 N/A VAL 213.A N ILE 209.A O no hydrogen 3.374 N/A GLY 214.A N LEU 210.A O no hydrogen 3.263 N/A THR 215.A N MET 239.A O no hydrogen 2.627 N/A LEU 221.A N GLY 217.A O no hydrogen 2.802 N/A LYS 223.A N GLU 219.A O no hydrogen 3.339 N/A LYS 223.A NZ ASP 266.A OD1 no hydrogen 3.386 N/A LYS 223.A NZ ASP 266.A OD2 no hydrogen 2.792 N/A LYS 223.A NZ ASP 268.A OD2 no hydrogen 3.556 N/A ILE 224.A N LEU 220.A O no hydrogen 2.744 N/A ARG 230.A N SER 226.A O no hydrogen 2.860 N/A ARG 230.A NH1 ILE 224.A O no hydrogen 3.004 N/A ARG 230.A NH2 ILE 224.A O no hydrogen 2.732 N/A ASN 231.A N GLU 227.A O no hydrogen 2.675 N/A ILE 233.A N ALA 229.A O no hydrogen 3.317 N/A GLN 234.A N ARG 230.A O no hydrogen 3.210 N/A SER 235.A N TYR 232.A O no hydrogen 3.211 N/A SER 235.A OG TYR 232.A O no hydrogen 2.751 N/A LEU 236.A N ILE 233.A O no hydrogen 3.394 N/A MET 242.A N LEU 212.A O no hydrogen 3.135 N/A ALA 245.A N ASN 243.A OD1 no hydrogen 3.131 N/A VAL 247.A N PHE 244.A O no hydrogen 3.079 N/A PHE 248.A N PHE 244.A O no hydrogen 2.622 N/A ASN 252.A ND2 ASP 114.A OD2 no hydrogen 2.839 N/A LEU 254.A N ASN 252.A OD1 no hydrogen 2.810 N/A ALA 255.A N ASN 252.A O no hydrogen 2.718 N/A VAL 256.A N ASN 252.A O no hydrogen 3.236 N/A ASP 257.A N PRO 253.A O no hydrogen 3.130 N/A LEU 258.A N LEU 254.A O no hydrogen 3.379 N/A LEU 259.A N ALA 255.A O no hydrogen 3.366 N/A GLU 260.A N VAL 256.A O no hydrogen 3.330 N/A LYS 261.A N ASP 257.A O no hydrogen 3.250 N/A LYS 261.A NZ ASP 257.A OD1 no hydrogen 3.115 N/A LYS 261.A NZ ASP 257.A OD2 no hydrogen 2.803 N/A MET 262.A N LEU 258.A O no hydrogen 2.755 N/A LEU 263.A N LEU 259.A O no hydrogen 2.909 N/A LYS 269.A NZ GLU 219.A OE2 no hydrogen 3.391 N/A ARG 270.A NE MET 262.A O no hydrogen 2.952 N/A ARG 270.A NH1 GLU 171.A OE2 no hydrogen 3.276 N/A ARG 270.A NH1 THR 177.A OG1 no hydrogen 3.367 N/A THR 272.A N GLN 275.A OE1 no hydrogen 3.246 N/A GLN 275.A N THR 272.A OG1 no hydrogen 3.198 N/A ALA 276.A N THR 272.A O no hydrogen 2.900 N/A HIS 279.A NE2 ASP 257.A OD2 no hydrogen 2.851 N/A TYR 281.A N HIS 279.A ND1 no hydrogen 3.224 N/A TYR 281.A OH ASP 114.A OD1 no hydrogen 2.762 N/A PHE 282.A N HIS 279.A O no hydrogen 2.992 N/A ALA 283.A N ALA 280.A O no hydrogen 3.279 N/A TYR 285.A OH ASP 115.A O no hydrogen 3.381 N/A TYR 285.A OH ASP 115.A OD2 no hydrogen 2.505 N/A HIS 286.A N PHE 282.A O no hydrogen 2.945 N/A HIS 286.A ND1 GLU 291.A OE2 no hydrogen 2.802 N/A ASP 290.A N ASP 287.A O no hydrogen 3.370 N/A ALA 294.A N SER 133.A OG no hydrogen 2.757 N/A SER 300.A OG ASP 298.A OD2 no hydrogen 3.294 N/A GLU 302.A N GLN 299.A O no hydrogen 3.495 N/A SER 303.A OG SER 300.A O no hydrogen 3.193 N/A ARG 304.A NE SER 300.A O no hydrogen 3.447 N/A LEU 307.A N GLU 310.A OE1 no hydrogen 2.723 N/A GLU 310.A N LEU 307.A O no hydrogen 2.760 N/A TRP 311.A N LEU 307.A O no hydrogen 3.351 N/A LYS 312.A N ILE 308.A O no hydrogen 3.042 N/A LYS 312.A NZ LEU 88.A O no hydrogen 3.265 N/A LYS 312.A NZ PHE 91.A O no hydrogen 3.429 N/A LEU 314.A N GLU 310.A O no hydrogen 3.336 N/A THR 315.A N TRP 311.A O no hydrogen 3.012 N/A THR 315.A OG1 TRP 311.A O no hydrogen 3.101 N/A TYR 316.A N LYS 312.A O no hydrogen 2.779 N/A ASP 317.A N SER 313.A O no hydrogen 3.178 N/A GLU 318.A N LEU 314.A O no hydrogen 3.466 N/A ILE 320.A N TYR 316.A O no hydrogen 3.437 N/A SER 321.A N ASP 317.A O no hydrogen 2.994 N/A SER 321.A OG ASP 317.A O no hydrogen 2.746 N/A