Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rqw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 129.A O no hydrogen 2.795 N/A SER 5.A N GLN 32.A O no hydrogen 2.896 N/A VAL 6.A N PHE 132.A O no hydrogen 3.100 N/A SER 7.A N VAL 30.A O no hydrogen 2.934 N/A ILE 8.A N ASP 134.A O no hydrogen 2.844 N/A PHE 9.A N TYR 28.A O no hydrogen 2.943 N/A ILE 10.A N GLN 136.A O no hydrogen 3.335 N/A ASN 11.A N ASP 26.A O no hydrogen 2.719 N/A ASN 11.A ND2 ASP 26.A OD2 no hydrogen 3.106 N/A LYS 12.A N ASP 26.A O no hydrogen 3.179 N/A TYR 14.A N LYS 24.A O no hydrogen 2.979 N/A ASN 17.A N THR 22.A O no hydrogen 2.802 N/A THR 18.A OG1 ARG 245.A O no hydrogen 3.064 N/A GLU 20.A N ASN 17.A OD1 no hydrogen 2.956 N/A GLN 21.A N THR 18.A O no hydrogen 3.355 N/A THR 22.A N ASN 17.A O no hydrogen 3.225 N/A TYR 23.A N PHE 100.A O no hydrogen 2.961 N/A TYR 23.A OH VAL 117.A O no hydrogen 2.727 N/A LYS 24.A N TYR 14.A O no hydrogen 2.731 N/A VAL 25.A N GLY 98.A O no hydrogen 2.914 N/A ASP 26.A N LYS 12.A O no hydrogen 2.935 N/A GLY 27.A N PHE 96.A O no hydrogen 2.928 N/A TYR 28.A N PHE 9.A O no hydrogen 2.824 N/A ILE 29.A N ALA 94.A O no hydrogen 2.859 N/A VAL 30.A N SER 7.A O no hydrogen 2.843 N/A ALA 31.A N TYR 92.A O no hydrogen 2.788 N/A GLN 32.A N SER 5.A O no hydrogen 2.819 N/A TRP 33.A N VAL 90.A O no hydrogen 3.147 N/A GLY 35.A N GLY 88.A O no hydrogen 2.755 N/A ARG 38.A N PRO 86.A O no hydrogen 2.690 N/A LYS 39.A NZ GLY 42.A O no hydrogen 3.457 N/A THR 40.A OG1 LYS 44.A O no hydrogen 2.657 N/A LEU 46.A N LEU 84.A O no hydrogen 2.677 N/A VAL 48.A N LEU 82.A O no hydrogen 2.810 N/A ASN 50.A N LYS 80.A O no hydrogen 2.806 N/A ASN 50.A ND2 ASN 79.A OD1 no hydrogen 3.345 N/A GLN 52.A N GLU 49.A O no hydrogen 3.014 N/A ILE 53.A N ASN 50.A O no hydrogen 2.919 N/A TRP 56.A N GLN 52.A O no hydrogen 3.242 N/A ILE 57.A N ILE 53.A O no hydrogen 3.027 N/A ASN 58.A N GLU 54.A O no hydrogen 2.911 N/A ASN 59.A N ARG 55.A O no hydrogen 3.142 N/A GLY 60.A N ILE 57.A O no hydrogen 2.970 N/A LEU 61.A N TRP 56.A O no hydrogen 2.873 N/A TRP 62.A NE1 TYR 125.A OH no hydrogen 2.979 N/A GLU 67.A N GLU 121.A O no hydrogen 2.759 N/A ILE 69.A N GLU 119.A O no hydrogen 2.632 N/A ASN 70.A ND2 SER 101.A O no hydrogen 2.860 N/A ASN 70.A ND2 VAL 117.A O no hydrogen 3.025 N/A VAL 71.A N PHE 68.A O no hydrogen 3.456 N/A VAL 72.A N SER 99.A O no hydrogen 2.670 N/A ASP 76.A N LEU 97.A O no hydrogen 2.789 N/A THR 77.A OG1 GLY 78.A O no hydrogen 3.523 N/A GLY 78.A N ARG 95.A O no hydrogen 2.991 N/A LYS 80.A N ASN 50.A OD1 no hydrogen 2.836 N/A ARG 81.A N ASN 93.A O no hydrogen 2.798 N/A LEU 82.A N VAL 48.A O no hydrogen 2.746 N/A MET 83.A N ILE 91.A O no hydrogen 2.836 N/A LEU 84.A N LEU 46.A O no hydrogen 2.684 N/A PHE 85.A N ARG 89.A O no hydrogen 2.934 N/A GLY 88.A N PHE 85.A O no hydrogen 3.103 N/A ARG 89.A NH1 ASP 87.A OD1 no hydrogen 2.828 N/A VAL 90.A N TRP 33.A O no hydrogen 2.857 N/A ILE 91.A N MET 83.A O no hydrogen 2.932 N/A TYR 92.A N ALA 31.A O no hydrogen 2.740 N/A ASN 93.A N ARG 81.A O no hydrogen 2.923 N/A ASN 93.A ND2 ILE 29.A O no hydrogen 3.053 N/A ALA 94.A N ILE 29.A O no hydrogen 2.980 N/A ARG 95.A N ASN 79.A O no hydrogen 3.077 N/A ARG 95.A NE ASP 26.A OD1 no hydrogen 3.135 N/A ARG 95.A NE ASP 26.A OD2 no hydrogen 3.274 N/A ARG 95.A NH2 ASP 26.A OD1 no hydrogen 3.276 N/A ARG 95.A NH2 ASP 26.A OD2 no hydrogen 3.003 N/A PHE 96.A N GLY 27.A O no hydrogen 2.727 N/A LEU 97.A N ASP 76.A O no hydrogen 2.886 N/A GLY 98.A N VAL 25.A O no hydrogen 3.034 N/A PHE 100.A N TYR 23.A O no hydrogen 2.761 N/A SER 101.A N ASN 70.A O no hydrogen 2.701 N/A ASN 102.A N GLN 21.A O no hydrogen 3.310 N/A ASN 102.A ND2 GLN 115.A O no hydrogen 2.916 N/A MET 104.A N GLN 21.A OE1 no hydrogen 2.774 N/A PHE 106.A N TYR 248.A OH no hydrogen 2.728 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 2.961 N/A ARG 107.A NE ASP 105.A OD1 no hydrogen 3.103 N/A ARG 107.A NE ASP 105.A OD2 no hydrogen 3.230 N/A ARG 107.A NH2 ASP 105.A OD2 no hydrogen 2.836 N/A PHE 111.A N LEU 108.A O no hydrogen 3.124 N/A PHE 111.A N PHE 109.A O no hydrogen 2.327 N/A GLN 114.A N ALA 187.A O no hydrogen 2.902 N/A GLN 114.A NE2 ASP 105.A O no hydrogen 2.945 N/A GLN 114.A NE2 ASP 112.A OD2 no hydrogen 3.200 N/A PHE 116.A N ILE 185.A O no hydrogen 2.839 N/A VAL 117.A N TYR 23.A OH no hydrogen 2.714 N/A LEU 118.A N VAL 183.A O no hydrogen 2.946 N/A GLU 119.A N ASN 70.A OD1 no hydrogen 2.936 N/A LEU 120.A N ILE 181.A O no hydrogen 2.844 N/A GLU 121.A N GLU 67.A O no hydrogen 3.041 N/A PHE 123.A N ALA 65.A O no hydrogen 2.787 N/A ASN 127.A ND2 ASN 127.A O no hydrogen 3.279 N/A GLN 129.A N VAL 2.A O no hydrogen 2.860 N/A LEU 130.A N SER 179.A OG no hydrogen 2.774 N/A ARG 131.A N VAL 4.A O no hydrogen 2.690 N/A ASP 134.A N VAL 6.A O no hydrogen 3.102 N/A GLN 136.A N ILE 8.A O no hydrogen 2.921 N/A THR 139.A N VAL 137.A O no hydrogen 2.566 N/A ASN 144.A N ASP 143.A OD2 no hydrogen 2.751 N/A ASP 148.A N GLU 145.A O no hydrogen 2.940 N/A TRP 151.A N VAL 188.A O no hydrogen 2.864 N/A TRP 151.A NE1 GLU 145.A O no hydrogen 2.861 N/A ARG 153.A N ASP 186.A O no hydrogen 3.034 N/A SER 157.A N ARG 184.A O no hydrogen 2.901 N/A SER 161.A N ARG 180.A O no hydrogen 2.914 N/A ILE 163.A N PHE 178.A O no hydrogen 2.850 N/A TYR 165.A N ASN 176.A O no hydrogen 3.066 N/A TYR 165.A OH GLU 121.A OE1 no hydrogen 2.951 N/A TYR 165.A OH GLU 121.A OE2 no hydrogen 2.660 N/A SER 170.A OG GLN 172.A O no hydrogen 2.900 N/A SER 170.A OG GLN 175.A O no hydrogen 2.742 N/A PHE 178.A N ILE 163.A O no hydrogen 2.775 N/A ARG 180.A N SER 161.A O no hydrogen 2.926 N/A ARG 180.A NE GLU 121.A OE1 no hydrogen 2.549 N/A ARG 180.A NH2 GLU 121.A OE1 no hydrogen 2.719 N/A ILE 181.A N LEU 120.A O no hydrogen 2.858 N/A VAL 183.A N LEU 118.A O no hydrogen 2.805 N/A ARG 184.A N SER 157.A O no hydrogen 2.885 N/A ILE 185.A N PHE 116.A O no hydrogen 2.918 N/A ALA 187.A N GLN 114.A O no hydrogen 2.927 N/A VAL 188.A N TRP 151.A O no hydrogen 2.853 N/A ARG 189.A N ASP 112.A O no hydrogen 3.160 N/A ARG 189.A NE ASP 112.A OD1 no hydrogen 2.628 N/A ARG 189.A NE ASP 112.A OD2 no hydrogen 3.321 N/A ARG 189.A NH2 ASP 112.A OD1 no hydrogen 3.433 N/A ARG 189.A NH2 ASP 112.A OD2 no hydrogen 2.967 N/A ASN 190.A N GLU 149.A O no hydrogen 2.951 N/A LEU 195.A N PRO 191.A O no hydrogen 3.124 N/A TRP 196.A N SER 192.A O no hydrogen 3.126 N/A SER 197.A N TYR 193.A O no hydrogen 2.884 N/A PHE 198.A N TYR 194.A O no hydrogen 3.041 N/A ILE 199.A N TYR 194.A O no hydrogen 2.846 N/A LEU 200.A N LEU 195.A O no hydrogen 2.873 N/A LEU 202.A N PHE 198.A O no hydrogen 3.026 N/A GLY 203.A N ILE 199.A O no hydrogen 3.027 N/A LEU 204.A N LEU 200.A O no hydrogen 3.014 N/A ILE 205.A N PRO 201.A O no hydrogen 2.874 N/A ILE 206.A N LEU 202.A O no hydrogen 2.835 N/A ALA 207.A N GLY 203.A O no hydrogen 2.724 N/A ALA 208.A N LEU 204.A O no hydrogen 2.793 N/A SER 209.A N ILE 205.A O no hydrogen 3.091 N/A SER 209.A N ILE 206.A O no hydrogen 3.090 N/A SER 209.A OG ILE 206.A O no hydrogen 2.900 N/A TRP 210.A N ALA 207.A O no hydrogen 2.581 N/A SER 211.A N ALA 208.A O no hydrogen 3.083 N/A SER 211.A OG ALA 208.A O no hydrogen 2.723 N/A VAL 212.A N SER 209.A O no hydrogen 3.385 N/A PHE 213.A N TRP 210.A O no hydrogen 3.179 N/A TRP 214.A N SER 211.A O no hydrogen 3.381 N/A LEU 215.A N VAL 212.A O no hydrogen 3.229 N/A ARG 221.A N SER 217.A O no hydrogen 3.230 N/A ARG 221.A NH2 ASP 283.A OD1 no hydrogen 3.513 N/A LEU 222.A N PHE 218.A O no hydrogen 2.941 N/A GLN 223.A N SER 219.A O no hydrogen 3.095 N/A THR 224.A N GLU 220.A O no hydrogen 3.053 N/A THR 224.A OG1 GLU 220.A O no hydrogen 3.267 N/A SER 225.A N ARG 221.A O no hydrogen 3.205 N/A PHE 226.A N GLN 223.A O no hydrogen 3.219 N/A THR 227.A N THR 224.A O no hydrogen 3.034 N/A LEU 228.A N THR 224.A O no hydrogen 3.161 N/A MET 229.A N SER 225.A O no hydrogen 2.887 N/A LEU 230.A N PHE 226.A O no hydrogen 3.148 N/A THR 231.A N THR 227.A O no hydrogen 2.974 N/A THR 231.A OG1 THR 227.A O no hydrogen 3.075 N/A VAL 232.A N LEU 228.A O no hydrogen 3.000 N/A VAL 233.A N MET 229.A O no hydrogen 3.074 N/A ALA 234.A N LEU 230.A O no hydrogen 2.895 N/A TYR 235.A N THR 231.A O no hydrogen 2.850 N/A TYR 235.A OH PHE 198.A O no hydrogen 2.663 N/A ALA 236.A N VAL 232.A O no hydrogen 2.720 N/A PHE 237.A N VAL 233.A O no hydrogen 2.926 N/A TYR 238.A N ALA 234.A O no hydrogen 2.965 N/A THR 239.A N TYR 235.A O no hydrogen 2.787 N/A SER 240.A N ALA 236.A O no hydrogen 2.761 N/A SER 240.A OG ALA 236.A O no hydrogen 3.372 N/A ASN 241.A N PHE 237.A O no hydrogen 2.861 N/A ILE 242.A N TYR 238.A O no hydrogen 3.310 N/A LEU 243.A N THR 239.A O no hydrogen 2.998 N/A ARG 245.A NH1 ASN 241.A O no hydrogen 3.170 N/A THR 250.A N ASP 253.A OD2 no hydrogen 2.800 N/A THR 250.A OG1 ASP 253.A OD2 no hydrogen 3.062 N/A ASP 253.A N THR 250.A OG1 no hydrogen 3.275 N/A GLN 254.A N THR 250.A O no hydrogen 3.106 N/A MET 255.A N VAL 251.A O no hydrogen 2.976 N/A ILE 256.A N ILE 252.A O no hydrogen 3.034 N/A ILE 257.A N ASP 253.A O no hydrogen 3.063 N/A ALA 258.A N GLN 254.A O no hydrogen 2.755 N/A GLY 259.A N MET 255.A O no hydrogen 2.838 N/A TYR 260.A N ILE 256.A O no hydrogen 3.024 N/A GLY 261.A N ILE 257.A O no hydrogen 2.895 N/A SER 262.A N ALA 258.A O no hydrogen 2.730 N/A ILE 263.A N GLY 259.A O no hydrogen 3.097 N/A PHE 264.A N TYR 260.A O no hydrogen 3.039 N/A ALA 265.A N GLY 261.A O no hydrogen 2.800 N/A ALA 266.A N SER 262.A O no hydrogen 2.854 N/A ILE 267.A N ILE 263.A O no hydrogen 3.226 N/A LEU 268.A N PHE 264.A O no hydrogen 2.975 N/A LEU 269.A N ALA 265.A O no hydrogen 2.843 N/A ILE 270.A N ALA 266.A O no hydrogen 2.741 N/A ILE 271.A N ILE 267.A O no hydrogen 3.242 N/A PHE 272.A N LEU 268.A O no hydrogen 2.840 N/A ALA 273.A N LEU 269.A O no hydrogen 2.768 N/A HIS 274.A ND1 ASP 283.A OD1 no hydrogen 2.989 N/A HIS 275.A N PHE 272.A O no hydrogen 2.852 N/A ARG 276.A N PHE 272.A O no hydrogen 2.787 N/A GLN 277.A NE2 HIS 274.A O no hydrogen 3.175 N/A ASN 279.A N GLN 277.A OE1 no hydrogen 3.343 N/A ASP 284.A N ALA 273.A O no hydrogen 3.137 N/A GLN 288.A N ASP 284.A O no hydrogen 3.178 N/A GLN 288.A NE2 LEU 285.A O no hydrogen 3.483 N/A ARG 289.A N LEU 286.A O no hydrogen 3.150 N/A ARG 289.A NE LEU 285.A O no hydrogen 3.434 N/A CYS 290.A SG ILE 287.A O no hydrogen 3.315 N/A PHE 294.A N CYS 290.A O no hydrogen 3.430 N/A LEU 296.A N LEU 292.A O no hydrogen 3.488 N/A GLY 297.A N ALA 293.A O no hydrogen 2.762 N/A PHE 298.A N PHE 294.A O no hydrogen 2.749 N/A LEU 299.A N PRO 295.A O no hydrogen 3.201 N/A ILE 301.A N GLY 297.A O no hydrogen 3.448 N/A CYS 303.A N ALA 300.A O no hydrogen 2.955 N/A CYS 303.A SG LEU 299.A O no hydrogen 3.430 N/A