Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a0r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG PHE 1.A O no hydrogen 2.566 N/A SER 8.A OG ILE 5.A O no hydrogen 3.445 N/A LEU 9.A N LEU 6.A O no hydrogen 3.037 N/A THR 11.A OG1 ILE 102.A O no hydrogen 3.524 N/A ILE 14.A N ILE 100.A O no hydrogen 2.983 N/A THR 15.A OG1 GLU 24.A OE1 no hydrogen 2.849 N/A THR 15.A OG1 GLU 24.A OE2 no hydrogen 2.995 N/A LEU 16.A N VAL 98.A O no hydrogen 3.011 N/A SER 17.A N ARG 21.A O no hydrogen 3.065 N/A SER 17.A OG ARG 21.A O no hydrogen 3.204 N/A TRP 25.A NE1 LEU 35.A O no hydrogen 3.036 N/A ASN 26.A N ILE 13.A O no hydrogen 3.351 N/A LYS 28.A N ASN 26.A OD1 no hydrogen 3.461 N/A GLU 30.A N ASN 26.A O no hydrogen 3.081 N/A GLN 31.A N LYS 27.A O no hydrogen 3.389 N/A LEU 32.A N GLU 30.A O no hydrogen 2.647 N/A PHE 33.A N GLU 30.A O no hydrogen 2.941 N/A GLY 34.A N GLU 30.A O no hydrogen 2.916 N/A LYS 37.A N GLU 30.A OE2 no hydrogen 2.973 N/A LYS 37.A NZ THR 23.A O no hydrogen 3.522 N/A VAL 40.A N LYS 37.A O no hydrogen 3.252 N/A LEU 41.A N GLU 38.A O no hydrogen 3.353 N/A GLY 42.A N ILE 22.A O no hydrogen 3.011 N/A ARG 43.A N VAL 40.A O no hydrogen 3.253 N/A ARG 43.A NE ASN 39.A O no hydrogen 2.653 N/A ARG 43.A NH2 ASN 39.A O no hydrogen 2.779 N/A LYS 46.A NZ GLU 59.A OE2 no hydrogen 2.806 N/A GLY 55.A N GLU 52.A O no hydrogen 2.837 N/A SER 56.A OG GLU 53.A O no hydrogen 2.923 N/A VAL 57.A N GLU 53.A O no hydrogen 2.565 N/A ALA 58.A N ILE 54.A O no hydrogen 3.108 N/A GLU 59.A N GLY 55.A O no hydrogen 2.606 N/A SER 60.A N SER 56.A O no hydrogen 3.309 N/A SER 60.A OG SER 56.A O no hydrogen 2.936 N/A VAL 61.A N VAL 57.A O no hydrogen 3.082 N/A PHE 62.A N ALA 58.A O no hydrogen 2.859 N/A ASN 64.A N SER 60.A O no hydrogen 2.778 N/A ASN 64.A ND2 SER 60.A O no hydrogen 2.820 N/A GLU 66.A N ASN 64.A O no hydrogen 2.854 N/A LEU 70.A N ILE 82.A O no hydrogen 3.004 N/A ASN 71.A N LEU 189.A O no hydrogen 2.707 N/A PHE 75.A N ARG 78.A O no hydrogen 2.944 N/A ARG 78.A N PHE 75.A O no hydrogen 3.063 N/A ASN 81.A ND2 ASN 71.A OD1 no hydrogen 2.562 N/A ILE 82.A N LEU 70.A O no hydrogen 3.322 N/A ARG 83.A N THR 101.A O no hydrogen 2.525 N/A PHE 84.A N VAL 68.A O no hydrogen 2.748 N/A SER 85.A N ILE 99.A O no hydrogen 2.664 N/A PHE 87.A N GLY 97.A O no hydrogen 2.765 N/A THR 92.A N ASN 89.A O no hydrogen 2.720 N/A THR 92.A N ASN 89.A OD1 no hydrogen 3.182 N/A THR 92.A OG1 ASN 89.A O no hydrogen 2.809 N/A THR 92.A OG1 ASN 89.A OD1 no hydrogen 2.694 N/A THR 92.A OG1 GLU 96.A OE2 no hydrogen 3.183 N/A GLN 93.A N ASN 89.A O no hydrogen 2.303 N/A GLY 97.A N PHE 87.A O no hydrogen 3.315 N/A VAL 98.A N LEU 16.A O no hydrogen 2.710 N/A ILE 99.A N SER 85.A O no hydrogen 2.759 N/A ILE 100.A N ILE 14.A O no hydrogen 2.999 N/A THR 101.A N ARG 83.A O no hydrogen 2.472 N/A THR 101.A OG1 ARG 83.A O no hydrogen 2.913 N/A ILE 102.A N ALA 12.A O no hydrogen 2.888 N/A ASP 103.A N ASN 81.A O no hydrogen 3.454 N/A LYS 110.A N THR 106.A O no hydrogen 3.161 N/A TYR 111.A N LEU 108.A O no hydrogen 2.829 N/A LYS 116.A N GLU 113.A O no hydrogen 2.827 N/A ARG 117.A N GLU 113.A O no hydrogen 2.628 N/A GLU 119.A N LYS 116.A O no hydrogen 2.821 N/A ARG 120.A N ARG 117.A O no hydrogen 2.795 N/A LEU 121.A N ARG 117.A O no hydrogen 3.104 N/A SER 122.A OG GLU 119.A O no hydrogen 2.510 N/A LEU 124.A N ARG 120.A O no hydrogen 3.325 N/A GLY 125.A N SER 122.A O no hydrogen 2.869 N/A MET 127.A N ILE 123.A O no hydrogen 2.947 N/A THR 128.A OG1 LEU 124.A O no hydrogen 2.221 N/A ALA 129.A N GLY 125.A O no hydrogen 2.998 N/A ARG 130.A N GLU 126.A O no hydrogen 2.770 N/A VAL 131.A N MET 127.A O no hydrogen 2.708 N/A ALA 132.A N THR 128.A O no hydrogen 2.774 N/A HIS 133.A N ALA 129.A O no hydrogen 2.959 N/A ILE 135.A N ALA 132.A O no hydrogen 3.301 N/A ILE 139.A N ILE 135.A O no hydrogen 3.248 N/A THR 140.A N ARG 136.A O no hydrogen 2.601 N/A THR 140.A OG1 ARG 136.A O no hydrogen 3.011 N/A THR 140.A OG1 ASN 137.A O no hydrogen 2.846 N/A ILE 141.A N PRO 138.A O no hydrogen 3.062 N/A ILE 142.A N PRO 138.A O no hydrogen 2.805 N/A GLY 143.A N ILE 139.A O no hydrogen 2.779 N/A PHE 145.A N ILE 141.A O no hydrogen 2.708 N/A ILE 146.A N GLY 143.A O no hydrogen 3.243 N/A MET 147.A N GLY 143.A O no hydrogen 3.381 N/A ARG 148.A N PHE 145.A O no hydrogen 3.037 N/A MET 149.A N PHE 145.A O no hydrogen 2.681 N/A GLU 157.A N ASP 155.A O no hydrogen 2.349 N/A THR 158.A N PRO 156.A O no hydrogen 2.641 N/A ASN 164.A N LYS 160.A O no hydrogen 2.952 N/A THR 167.A N ILE 163.A O no hydrogen 3.083 N/A THR 167.A OG1 ILE 163.A O no hydrogen 2.552 N/A ASN 168.A N ASN 164.A O no hydrogen 2.522 N/A ASN 168.A ND2 ASN 164.A O no hydrogen 3.472 N/A GLU 169.A N ILE 165.A O no hydrogen 2.806 N/A SER 171.A N THR 167.A O no hydrogen 3.161 N/A SER 171.A OG THR 167.A O no hydrogen 2.648 N/A ARG 172.A N ASN 168.A O no hydrogen 3.166 N/A GLU 174.A N LEU 170.A O no hydrogen 2.584 N/A THR 175.A N SER 171.A O no hydrogen 2.968 N/A THR 175.A OG1 SER 171.A O no hydrogen 3.179 N/A ILE 176.A N ARG 172.A O no hydrogen 2.819 N/A VAL 177.A N GLU 174.A O no hydrogen 3.100 N/A LYS 178.A N GLU 174.A O no hydrogen 2.576 N/A GLU 179.A N THR 175.A O no hydrogen 2.636 N/A ILE 180.A N VAL 177.A O no hydrogen 2.845 N/A LEU 181.A N VAL 177.A O no hydrogen 2.755 N/A GLU 182.A N LYS 178.A O no hydrogen 2.660 N/A SER 184.A N LEU 181.A O no hydrogen 3.358 N/A GLU 186.A N GLU 182.A O no hydrogen 3.458 N/A ARG 187.A N GLU 186.A OE2 no hydrogen 2.587 N/A LEU 189.A N ASN 71.A O no hydrogen 2.682 N/A GLU 190.A N ASP 232.A OD2 no hydrogen 2.701 N/A PHE 191.A N PHE 69.A O no hydrogen 2.972 N/A THR 192.A N ALA 231.A O no hydrogen 2.717 N/A THR 192.A OG1 ALA 231.A O no hydrogen 3.216 N/A ASN 195.A ND2 GLU 225.A O no hydrogen 2.952 N/A LEU 196.A N LEU 227.A O no hydrogen 2.699 N/A ASN 197.A ND2 ASN 224.A O no hydrogen 3.123 N/A GLU 198.A N ASN 195.A OD1 no hydrogen 3.247 N/A LEU 199.A N ASN 195.A O no hydrogen 2.994 N/A ILE 200.A N LEU 196.A O no hydrogen 2.545 N/A ARG 201.A N ASN 197.A O no hydrogen 2.720 N/A VAL 203.A N LEU 199.A O no hydrogen 3.123 N/A VAL 205.A N ARG 201.A O no hydrogen 3.125 N/A LEU 206.A N VAL 203.A O no hydrogen 2.627 N/A GLU 208.A N TYR 204.A O no hydrogen 2.809 N/A LYS 210.A N PHE 207.A O no hydrogen 2.828 N/A ARG 212.A N GLU 208.A O no hydrogen 2.731 N/A MET 214.A N LYS 210.A O no hydrogen 3.102 N/A PHE 218.A N ILE 216.A O no hydrogen 2.650 N/A CYS 219.A N ILE 257.A O no hydrogen 3.080 N/A GLU 221.A N ILE 259.A O no hydrogen 3.159 N/A THR 222.A OG1 ASN 224.A O no hydrogen 2.620 N/A THR 222.A OG1 SER 261.A O no hydrogen 2.718 N/A ASN 224.A N THR 222.A OG1 no hydrogen 3.047 N/A ASN 224.A ND2 ASP 226.A O no hydrogen 2.543 N/A ASP 226.A N ASN 224.A OD1 no hydrogen 2.815 N/A ARG 228.A NE GLU 193.A OE2 no hydrogen 3.352 N/A VAL 229.A N PHE 194.A O no hydrogen 3.117 N/A GLU 230.A N LYS 329.A O no hydrogen 2.722 N/A ALA 231.A N THR 192.A O no hydrogen 2.898 N/A ASP 232.A N HIS 308.A NE2 no hydrogen 3.428 N/A ARG 233.A N ALA 231.A O no hydrogen 2.980 N/A ARG 233.A NH1 GLU 202.A OE1 no hydrogen 2.701 N/A ARG 235.A N ASP 232.A O no hydrogen 2.776 N/A ARG 235.A NH1 GLN 238.A OE1 no hydrogen 3.266 N/A ILE 236.A N ASP 232.A O no hydrogen 2.672 N/A LYS 237.A N ARG 233.A O no hydrogen 2.956 N/A VAL 239.A N ARG 235.A O no hydrogen 3.463 N/A ILE 241.A N LYS 237.A O no hydrogen 3.173 N/A ASN 242.A N GLN 238.A O no hydrogen 2.900 N/A LEU 243.A N LEU 240.A O no hydrogen 2.568 N/A VAL 244.A N LEU 240.A O no hydrogen 3.141 N/A GLN 245.A N ILE 241.A O no hydrogen 2.589 N/A GLN 245.A NE2 ILE 241.A O no hydrogen 3.591 N/A ALA 247.A N LEU 243.A O no hydrogen 3.009 N/A ILE 248.A N GLN 245.A O no hydrogen 3.116 N/A ALA 250.A N ASN 246.A O no hydrogen 2.876 N/A THR 251.A OG1 LYS 256.A O no hydrogen 3.478 N/A THR 251.A OG1 SER 275.A O no hydrogen 3.310 N/A THR 251.A OG1 SER 275.A OG no hydrogen 2.861 N/A GLY 252.A N ILE 248.A O no hydrogen 2.930 N/A ASN 254.A ND2 ASN 215.A O no hydrogen 3.608 N/A GLY 255.A N GLY 252.A O no hydrogen 2.947 N/A LYS 256.A N THR 251.A OG1 no hydrogen 3.159 N/A LYS 256.A NZ ASN 254.A O no hydrogen 2.949 N/A LYS 258.A N TRP 273.A O no hydrogen 2.626 N/A ILE 259.A N CYS 219.A O no hydrogen 2.926 N/A THR 260.A N SER 271.A O no hydrogen 2.916 N/A THR 260.A OG1 SER 271.A O no hydrogen 3.129 N/A SER 261.A OG ASN 197.A OD1 no hydrogen 3.161 N/A GLU 262.A N ARG 269.A O no hydrogen 3.094 N/A ASP 263.A N ASP 223.A OD1 no hydrogen 3.307 N/A MET 264.A N LYS 267.A O no hydrogen 2.922 N/A LYS 267.A N MET 264.A O no hydrogen 2.680 N/A LYS 267.A NZ GLU 326.A OE1 no hydrogen 3.009 N/A ARG 269.A N GLU 262.A O no hydrogen 3.306 N/A ARG 269.A NE GLU 326.A OE2 no hydrogen 3.181 N/A VAL 270.A N PHE 325.A O no hydrogen 3.215 N/A SER 271.A N THR 260.A O no hydrogen 2.880 N/A VAL 272.A N PHE 323.A O no hydrogen 3.221 N/A TRP 273.A N LYS 258.A O no hydrogen 2.845 N/A TRP 273.A NE1 ARG 317.A O no hydrogen 2.854 N/A ASN 274.A N VAL 321.A O no hydrogen 2.879 N/A SER 275.A OG THR 251.A OG1 no hydrogen 2.861 N/A GLY 276.A N ASN 319.A O no hydrogen 2.864 N/A LEU 283.A N PRO 280.A O no hydrogen 3.259 N/A PHE 288.A N GLU 285.A O no hydrogen 2.715 N/A SER 298.A OG PRO 290.A O no hydrogen 3.244 N/A CYS 300.A N LEU 297.A O no hydrogen 2.963 N/A CYS 300.A SG ASN 242.A O no hydrogen 3.660 N/A CYS 300.A SG LEU 297.A O no hydrogen 3.375 N/A ARG 301.A N SER 298.A O no hydrogen 2.478 N/A ILE 303.A N ILE 299.A O no hydrogen 2.726 N/A GLU 305.A N ARG 301.A O no hydrogen 2.730 N/A ASP 306.A N LYS 302.A O no hydrogen 2.779 N/A GLU 307.A N LYS 302.A O no hydrogen 2.704 N/A GLU 307.A N ILE 303.A O no hydrogen 3.172 N/A HIS 308.A N ILE 303.A O no hydrogen 3.249 N/A GLY 309.A N ILE 304.A O no hydrogen 2.733 N/A TRP 313.A NE1 GLU 315.A OE1 no hydrogen 3.308 N/A THR 314.A OG1 GLU 315.A O no hydrogen 3.517 N/A THR 314.A OG1 VAL 322.A O no hydrogen 2.395 N/A ARG 317.A N GLY 320.A O no hydrogen 2.690 N/A ARG 317.A NE ASN 316.A O no hydrogen 3.338 N/A VAL 321.A N ASN 274.A O no hydrogen 2.971 N/A VAL 322.A N GLU 315.A O no hydrogen 3.104 N/A PHE 323.A N VAL 272.A O no hydrogen 3.026 N/A ILE 324.A N TRP 313.A O no hydrogen 2.999 N/A PHE 325.A N VAL 270.A O no hydrogen 3.056 N/A GLU 326.A N LYS 311.A O no hydrogen 3.036 N/A LYS 329.A N THR 266.A O no hydrogen 3.230 N/A LYS 333.A N THR 330.A O no hydrogen 3.106 N/A ARG 334.A NH1 GLU 307.A O no hydrogen 3.188 N/A ARG 334.A NH2 ASP 306.A O no hydrogen 3.262 N/A