Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w0w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 2.829 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.619 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.889 N/A MET 5.A N CYS 101.A O no hydrogen 2.898 N/A ARG 6.A N TYR 27.A O no hydrogen 3.015 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.322 N/A ARG 6.A NH1 CYS 101.A O no hydrogen 3.493 N/A ARG 6.A NH1 ASP 102.A OD2 no hydrogen 2.975 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 3.501 N/A ARG 6.A NH2 ASP 102.A OD2 no hydrogen 2.900 N/A TYR 7.A N PHE 99.A O no hydrogen 3.021 N/A PHE 8.A N VAL 25.A O no hydrogen 2.808 N/A SER 9.A N MET 97.A O no hydrogen 2.845 N/A THR 10.A N ILE 23.A O no hydrogen 2.815 N/A SER 11.A N LEU 95.A O no hydrogen 2.759 N/A VAL 12.A N ARG 21.A O no hydrogen 2.939 N/A SER 13.A N HIS 93.A O no hydrogen 2.983 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.798 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.511 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.856 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.129 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.783 N/A ARG 17.A N ARG 14.A O no hydrogen 2.901 N/A ARG 21.A N VAL 12.A O no hydrogen 2.871 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.875 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.565 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 3.144 N/A PHE 22.A N SER 38.A OG no hydrogen 2.985 N/A ILE 23.A N THR 10.A O no hydrogen 2.978 N/A ALA 24.A N PHE 36.A O no hydrogen 2.933 N/A VAL 25.A N PHE 8.A O no hydrogen 3.063 N/A GLY 26.A N VAL 34.A O no hydrogen 3.072 N/A TYR 27.A N ARG 6.A O no hydrogen 2.787 N/A VAL 28.A N THR 31.A O no hydrogen 2.840 N/A ASP 29.A N SER 4.A O no hydrogen 2.986 N/A THR 31.A N VAL 28.A O no hydrogen 2.942 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.834 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.020 N/A PHE 33.A N GLY 26.A O no hydrogen 2.970 N/A ARG 35.A N GLU 46.A O no hydrogen 3.094 N/A ARG 35.A NE GLU 46.A OE2 no hydrogen 2.837 N/A ARG 35.A NH2 GLU 46.A OE2 no hydrogen 3.197 N/A PHE 36.A N ALA 24.A O no hydrogen 2.775 N/A SER 38.A N PHE 22.A O no hydrogen 2.888 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.918 N/A ALA 40.A N ASP 37.A O no hydrogen 2.970 N/A SER 42.A OG GLU 46.A OE1 no hydrogen 2.502 N/A ARG 44.A N SER 42.A OG no hydrogen 3.179 N/A ARG 44.A NH1 ASP 61.A OD2 no hydrogen 3.211 N/A ARG 44.A NH2 ASP 61.A OD2 no hydrogen 2.670 N/A MET 45.A N THR 64.A OG1 no hydrogen 2.930 N/A GLU 46.A N ARG 35.A O no hydrogen 2.990 N/A ARG 48.A N PHE 33.A O no hydrogen 2.708 N/A ILE 52.A N ALA 49.A O no hydrogen 3.280 N/A GLU 53.A N PRO 50.A O no hydrogen 3.144 N/A GLU 55.A N ILE 52.A O no hydrogen 3.294 N/A TYR 59.A N GLY 56.A O no hydrogen 3.176 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.665 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.131 N/A ASP 61.A N PRO 57.A O no hydrogen 3.337 N/A GLU 62.A N GLU 58.A O no hydrogen 3.097 N/A GLU 62.A N TYR 59.A O no hydrogen 3.165 N/A GLU 63.A N TYR 59.A O no hydrogen 3.063 N/A THR 64.A N TRP 60.A O no hydrogen 3.006 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.651 N/A GLY 65.A N ASP 61.A O no hydrogen 2.973 N/A LYS 66.A N GLU 62.A O no hydrogen 3.017 N/A LYS 66.A NZ GLU 63.A OE1 no hydrogen 2.680 N/A VAL 67.A N GLU 63.A O no hydrogen 3.061 N/A LYS 68.A N THR 64.A O no hydrogen 3.086 N/A ALA 69.A N GLY 65.A O no hydrogen 3.049 N/A HIS 70.A N LYS 66.A O no hydrogen 2.957 N/A HIS 70.A NE2 ASP 74.A OD2 no hydrogen 2.724 N/A SER 71.A N VAL 67.A O no hydrogen 2.889 N/A SER 71.A OG LYS 68.A O no hydrogen 2.335 N/A GLN 72.A N LYS 68.A O no hydrogen 3.049 N/A THR 73.A N ALA 69.A O no hydrogen 2.886 N/A THR 73.A OG1 ALA 69.A O no hydrogen 3.316 N/A ASP 74.A N HIS 70.A O no hydrogen 2.792 N/A ARG 75.A N SER 71.A O no hydrogen 2.882 N/A GLU 76.A N GLN 72.A O no hydrogen 2.944 N/A ASN 77.A N THR 73.A O no hydrogen 2.785 N/A ASN 77.A ND2 ASP 74.A OD1 no hydrogen 3.222 N/A LEU 78.A N ASP 74.A O no hydrogen 2.862 N/A ARG 79.A N ARG 75.A O no hydrogen 3.327 N/A ARG 79.A NH2 GLU 76.A OE2 no hydrogen 2.494 N/A ILE 80.A N GLU 76.A O no hydrogen 2.968 N/A ALA 81.A N ASN 77.A O no hydrogen 2.902 N/A LEU 82.A N LEU 78.A O no hydrogen 3.175 N/A ARG 83.A N ARG 79.A O no hydrogen 3.287 N/A TYR 84.A N ILE 80.A O no hydrogen 2.959 N/A TYR 85.A N ALA 81.A O no hydrogen 3.002 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.682 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 3.331 N/A ASN 86.A N ARG 83.A O no hydrogen 3.147 N/A GLN 87.A N LEU 82.A O no hydrogen 2.933 N/A ALA 90.A N SER 88.A OG no hydrogen 3.189 N/A SER 92.A OG SER 13.A O no hydrogen 2.618 N/A HIS 93.A N SER 13.A OG no hydrogen 2.848 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.732 N/A THR 94.A N ASP 119.A OD1 no hydrogen 3.023 N/A LEU 95.A N SER 11.A O no hydrogen 2.778 N/A GLN 96.A N ALA 117.A O no hydrogen 2.961 N/A MET 97.A N SER 9.A O no hydrogen 2.787 N/A MET 98.A N GLN 115.A O no hydrogen 2.966 N/A PHE 99.A N TYR 7.A O no hydrogen 3.400 N/A GLY 100.A N TYR 113.A O no hydrogen 3.189 N/A CYS 101.A N MET 5.A O no hydrogen 3.093 N/A ASP 102.A N ARG 111.A O no hydrogen 2.820 N/A VAL 103.A N HIS 3.A O no hydrogen 2.838 N/A GLY 104.A N ARG 108.A O no hydrogen 3.148 N/A GLY 107.A N GLY 104.A O no hydrogen 2.802 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.184 N/A LEU 110.A N ASP 102.A O no hydrogen 2.942 N/A ARG 111.A N ASP 102.A O no hydrogen 3.463 N/A TYR 113.A N GLY 100.A O no hydrogen 2.917 N/A GLN 115.A N MET 98.A O no hydrogen 2.790 N/A TYR 116.A N ILE 124.A O no hydrogen 2.879 N/A TYR 116.A OH ASP 74.A OD1 no hydrogen 2.459 N/A ALA 117.A N GLN 96.A O no hydrogen 2.982 N/A TYR 118.A N LYS 121.A O no hydrogen 2.919 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.520 N/A ASP 119.A N THR 94.A O no hydrogen 2.777 N/A LYS 121.A N TYR 118.A O no hydrogen 3.213 N/A LYS 121.A NZ ASP 119.A O no hydrogen 3.324 N/A TYR 123.A N TYR 116.A O no hydrogen 2.895 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.843 N/A ALA 125.A N THR 134.A O no hydrogen 3.017 N/A LEU 126.A N HIS 114.A O no hydrogen 3.008 N/A LYS 127.A N SER 132.A O no hydrogen 2.784 N/A LEU 130.A N LYS 127.A O no hydrogen 3.027 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.760 N/A THR 134.A N ALA 125.A O no hydrogen 2.705 N/A ALA 136.A N TYR 123.A O no hydrogen 2.927 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 2.996 N/A GLN 141.A N ASP 137.A O no hydrogen 3.102 N/A GLN 141.A N MET 138.A O no hydrogen 3.072 N/A ILE 142.A N MET 138.A O no hydrogen 3.389 N/A ILE 142.A N ALA 139.A O no hydrogen 3.013 N/A THR 143.A N ALA 139.A O no hydrogen 3.365 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.843 N/A LYS 144.A N ALA 140.A O no hydrogen 2.848 N/A LYS 144.A NZ TRP 133.A O no hydrogen 3.072 N/A ARG 145.A N GLN 141.A O no hydrogen 2.930 N/A LYS 146.A N ILE 142.A O no hydrogen 3.124 N/A TRP 147.A N THR 143.A O no hydrogen 3.004 N/A GLU 148.A N LYS 144.A O no hydrogen 2.833 N/A ALA 149.A N ARG 145.A O no hydrogen 3.131 N/A ALA 150.A N LYS 146.A O no hydrogen 3.056 N/A HIS 151.A N GLU 148.A O no hydrogen 3.319 N/A VAL 152.A N TRP 147.A O no hydrogen 2.972 N/A GLN 155.A N HIS 151.A O no hydrogen 3.000 N/A GLN 155.A NE2 ALA 150.A O no hydrogen 2.930 N/A GLN 156.A N VAL 152.A O no hydrogen 2.721 N/A ARG 157.A N ALA 153.A O no hydrogen 2.985 N/A ARG 157.A NE GLU 161.A OE2 no hydrogen 2.597 N/A ALA 158.A N GLU 154.A O no hydrogen 3.035 N/A TYR 159.A N GLN 155.A O no hydrogen 3.002 N/A LEU 160.A N GLN 156.A O no hydrogen 2.712 N/A GLU 161.A N ARG 157.A O no hydrogen 2.977 N/A GLY 162.A N TYR 159.A O no hydrogen 3.265 N/A CYS 164.A N TYR 159.A O no hydrogen 2.964 N/A ASP 166.A N GLY 162.A O no hydrogen 2.710 N/A GLY 167.A N THR 163.A O no hydrogen 2.650 N/A LEU 168.A N CYS 164.A O no hydrogen 3.010 N/A ARG 169.A N VAL 165.A O no hydrogen 3.121 N/A ARG 169.A NE GLY 107.A O no hydrogen 3.184 N/A ARG 169.A NH2 GLY 107.A O no hydrogen 2.654 N/A ARG 170.A N ASP 166.A O no hydrogen 3.193 N/A TYR 171.A N GLY 167.A O no hydrogen 2.929 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.665 N/A LEU 172.A N LEU 168.A O no hydrogen 2.881 N/A GLU 173.A N ARG 169.A O no hydrogen 2.969 N/A ASN 174.A N ARG 170.A O no hydrogen 2.928 N/A GLY 175.A N TYR 171.A O no hydrogen 2.843 N/A LYS 176.A N GLU 173.A O no hydrogen 3.322 N/A THR 178.A N GLY 175.A O no hydrogen 2.922 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.338 N/A LEU 179.A N GLY 175.A O no hydrogen 2.882 N/A GLN 180.A N LYS 176.A O no hydrogen 3.215 N/A ARG 181.A NE THR 178.A O no hydrogen 2.799 N/A ARG 181.A NH1 ASP 183.A OD1 no hydrogen 2.803 N/A LYS 186.A N LEU 206.A O no hydrogen 2.833 N/A HIS 188.A N TRP 204.A O no hydrogen 3.454 N/A THR 190.A N ARG 202.A O no hydrogen 2.971 N/A HIS 192.A N THR 200.A O no hydrogen 2.427 N/A SER 195.A N PRO 193.A O no hydrogen 2.391 N/A SER 195.A N GLU 198.A O no hydrogen 3.089 N/A HIS 197.A N ASP 196.A OD2 no hydrogen 2.777 N/A ALA 199.A N VAL 249.A O no hydrogen 2.894 N/A THR 200.A N HIS 192.A O no hydrogen 2.281 N/A LEU 201.A N VAL 247.A O no hydrogen 2.779 N/A ARG 202.A N THR 190.A O no hydrogen 2.834 N/A CYS 203.A N ALA 245.A O no hydrogen 2.555 N/A TRP 204.A N HIS 188.A O no hydrogen 2.935 N/A ALA 205.A N LYS 243.A O no hydrogen 2.955 N/A LEU 206.A N LYS 186.A O no hydrogen 2.753 N/A PHE 208.A N PHE 241.A O no hydrogen 3.378 N/A TYR 209.A N ASP 183.A O no hydrogen 2.992 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.834 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.716 N/A THR 214.A N GLN 262.A O no hydrogen 2.980 N/A THR 216.A N HIS 260.A O no hydrogen 3.030 N/A GLN 218.A N THR 258.A O no hydrogen 2.526 N/A GLN 218.A NE2 ASP 223.A OD2 no hydrogen 3.477 N/A ARG 219.A N GLU 222.A O no hydrogen 3.332 N/A ARG 219.A N GLN 224.A OE1 no hydrogen 3.272 N/A ASP 220.A N ARG 256.A O no hydrogen 2.873 N/A GLN 224.A N TRP 217.A O no hydrogen 3.147 N/A THR 228.A OG1 GLN 226.A O no hydrogen 3.403 N/A GLU 229.A N ALA 246.A O no hydrogen 2.834 N/A ARG 234.A N GLN 242.A O no hydrogen 2.881 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.780 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.033 N/A ALA 236.A N THR 240.A O no hydrogen 2.899 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.119 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.432 N/A THR 240.A OG1 ASP 238.A OD2 no hydrogen 3.413 N/A PHE 241.A N PHE 208.A O no hydrogen 2.890 N/A GLN 242.A N ARG 234.A O no hydrogen 2.804 N/A LYS 243.A N ALA 205.A O no hydrogen 3.136 N/A LYS 243.A NZ VAL 231.A O no hydrogen 3.076 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.277 N/A ALA 245.A N CYS 203.A O no hydrogen 3.012 N/A ALA 246.A N GLU 229.A O no hydrogen 2.859 N/A VAL 247.A N LEU 201.A O no hydrogen 2.758 N/A VAL 248.A N ASP 227.A O no hydrogen 3.218 N/A VAL 249.A N ALA 199.A O no hydrogen 2.810 N/A SER 251.A N HIS 197.A O no hydrogen 2.222 N/A SER 251.A OG ASP 196.A O no hydrogen 3.217 N/A ARG 256.A N GLU 253.A O no hydrogen 3.260 N/A ARG 256.A NH1 GLU 253.A OE2 no hydrogen 3.305 N/A TYR 257.A N GLU 254.A O no hydrogen 3.034 N/A THR 258.A N GLN 218.A O no hydrogen 2.470 N/A THR 258.A OG1 TYR 257.A O no hydrogen 2.982 N/A THR 258.A OG1 LEU 272.A O no hydrogen 3.369 N/A CYS 259.A N LEU 272.A O no hydrogen 2.754 N/A CYS 259.A SG THR 216.A O no hydrogen 3.979 N/A HIS 260.A N THR 216.A O no hydrogen 2.657 N/A VAL 261.A N LEU 270.A O no hydrogen 3.113 N/A GLN 262.A N THR 214.A O no hydrogen 2.953 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.768 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.042 N/A LEU 266.A N HIS 263.A O no hydrogen 2.844 N/A LEU 270.A N VAL 261.A O no hydrogen 3.118 N/A LEU 272.A N CYS 259.A O no hydrogen 2.799 N/A GLY 275.A N GLN 255.A OE1 no hydrogen 3.238 N/A