Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wcr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N LEU 228.A O no hydrogen 3.146 N/A SER 2.A N LEU 228.A O no hydrogen 2.903 N/A THR 4.A N SER 226.A O no hydrogen 3.061 N/A PHE 6.A N PHE 224.A O no hydrogen 2.911 N/A SER 7.A OG SER 223.A OG no hydrogen 2.680 N/A PHE 8.A N TRP 222.A O no hydrogen 2.751 N/A ARG 10.A NH2 SER 26.A O no hydrogen 2.926 N/A PHE 11.A N GLY 28.A O no hydrogen 2.735 N/A THR 14.A N ASN 12.A OD1 no hydrogen 3.074 N/A THR 14.A OG1 ASN 12.A OD1 no hydrogen 2.525 N/A LEU 16.A N GLU 13.A O no hydrogen 3.045 N/A ILE 17.A N PHE 50.A O no hydrogen 2.524 N/A GLN 19.A N ARG 48.A O no hydrogen 2.706 N/A GLN 19.A NE2 SER 97.A O no hydrogen 2.929 N/A ASP 21.A N LEU 46.A O no hydrogen 2.894 N/A THR 23.A N ARG 31.A O no hydrogen 2.917 N/A SER 25.A N GLN 29.A O no hydrogen 2.870 N/A SER 25.A OG GLN 29.A O no hydrogen 3.566 N/A GLY 28.A N SER 25.A O no hydrogen 2.777 N/A GLN 29.A N SER 25.A OG no hydrogen 3.107 N/A LEU 30.A N ILE 219.A O no hydrogen 2.772 N/A ARG 31.A N THR 23.A O no hydrogen 2.758 N/A ARG 31.A NE ASP 218.A OD1 no hydrogen 2.732 N/A ARG 31.A NH2 ASP 218.A OD1 no hydrogen 3.485 N/A ARG 31.A NH2 ASP 218.A OD2 no hydrogen 2.778 N/A LEU 32.A N ASN 217.A O no hydrogen 2.807 N/A ASN 34.A N SER 45.A OG no hydrogen 2.701 N/A ASN 34.A ND2 THR 42.A OG1 no hydrogen 2.898 N/A ASN 36.A N GLU 40.A O no hydrogen 2.850 N/A GLY 39.A N ASN 36.A O no hydrogen 2.908 N/A GLU 40.A N ASN 36.A OD1 no hydrogen 2.709 N/A THR 42.A N ASN 34.A O no hydrogen 3.159 N/A THR 42.A OG1 ASN 34.A O no hydrogen 3.259 N/A SER 44.A N GLY 208.A O no hydrogen 2.825 N/A SER 45.A N THR 207.A OG1 no hydrogen 2.770 N/A SER 45.A OG ASP 21.A OD2 no hydrogen 2.459 N/A LEU 46.A N ASP 21.A OD2 no hydrogen 3.160 N/A GLY 47.A N ALA 205.A O no hydrogen 3.143 N/A ARG 48.A N GLN 19.A O no hydrogen 2.859 N/A ARG 48.A NE GLY 107.A O no hydrogen 3.067 N/A ARG 48.A NH1 GLN 19.A OE1 no hydrogen 3.112 N/A ARG 48.A NH1 SER 97.A OG no hydrogen 3.087 N/A ARG 48.A NH2 GLY 107.A O no hydrogen 2.803 N/A ALA 49.A N PHE 203.A O no hydrogen 3.020 N/A PHE 50.A N ILE 17.A O no hydrogen 2.741 N/A TYR 51.A N VAL 201.A O no hydrogen 3.170 N/A SER 52.A N ASN 15.A O no hydrogen 3.073 N/A SER 52.A OG ASN 15.A O no hydrogen 2.850 N/A ILE 55.A N VAL 199.A O no hydrogen 2.672 N/A GLN 56.A NE2 TRP 58.A O no hydrogen 3.322 N/A ILE 57.A N GLU 197.A O no hydrogen 2.444 N/A TRP 58.A N GLU 197.A O no hydrogen 3.138 N/A TRP 58.A NE1 LEU 195.A O no hydrogen 2.766 N/A ASP 59.A N ALA 64.A O no hydrogen 2.906 N/A ASN 60.A N GLU 197.A OE1 no hydrogen 3.025 N/A THR 61.A N ASP 59.A OD1 no hydrogen 2.817 N/A THR 62.A N ASP 59.A OD1 no hydrogen 3.225 N/A THR 62.A OG1 ASP 59.A O no hydrogen 3.310 N/A GLY 63.A N ASP 59.A O no hydrogen 2.605 N/A ALA 64.A N THR 62.A OG1 no hydrogen 3.124 N/A ALA 66.A N ILE 57.A O no hydrogen 2.500 N/A SER 67.A N LYS 227.A O no hydrogen 2.946 N/A SER 67.A OG SER 165.A OG no hydrogen 3.152 N/A PHE 68.A N TYR 163.A O no hydrogen 3.101 N/A ALA 69.A N ALA 225.A O no hydrogen 2.836 N/A THR 70.A N ILE 161.A O no hydrogen 2.796 N/A THR 70.A OG1 SER 223.A O no hydrogen 2.692 N/A SER 71.A N SER 223.A O no hydrogen 2.923 N/A PHE 72.A N VAL 159.A O no hydrogen 3.032 N/A THR 73.A N SER 221.A O no hydrogen 3.010 N/A PHE 74.A N ALA 157.A O no hydrogen 2.689 N/A ASN 75.A N ASP 218.A O no hydrogen 2.742 N/A ASN 75.A ND2 GLY 154.A O no hydrogen 2.904 N/A ASN 75.A ND2 ASN 156.A OD1 no hydrogen 2.613 N/A ASP 77.A N THR 216.A OG1 no hydrogen 2.769 N/A VAL 78.A N ASP 77.A OD1 no hydrogen 2.795 N/A SER 82.A N PRO 79.A O no hydrogen 3.020 N/A GLY 83.A N GLY 212.A O no hydrogen 2.461 N/A ASP 86.A N THR 206.A O no hydrogen 2.854 N/A GLY 87.A N THR 206.A O no hydrogen 3.323 N/A LEU 88.A N PHE 125.A O no hydrogen 3.240 N/A ALA 89.A N THR 204.A O no hydrogen 2.574 N/A PHE 90.A N VAL 123.A O no hydrogen 2.941 N/A VAL 91.A N GLY 202.A O no hydrogen 2.727 N/A LEU 92.A N VAL 121.A O no hydrogen 3.014 N/A LEU 93.A N ILE 200.A O no hydrogen 2.969 N/A SER 97.A N PRO 94.A O no hydrogen 2.981 N/A GLN 98.A NE2 GLY 96.A O no hydrogen 2.867 N/A LYS 100.A N GLY 107.A O no hydrogen 2.804 N/A LYS 100.A NZ GLN 98.A O no hydrogen 3.171 N/A ASP 101.A N PHE 109.A O no hydrogen 3.403 N/A LYS 102.A NZ SER 44.A O no hydrogen 3.428 N/A LEU 105.A N LYS 102.A O no hydrogen 3.174 N/A LEU 106.A N GLY 103.A O no hydrogen 2.993 N/A GLY 107.A N ASP 101.A O no hydrogen 2.441 N/A LEU 108.A N LEU 105.A O no hydrogen 3.013 N/A PHE 109.A N LEU 105.A O no hydrogen 3.304 N/A LYS 113.A N ASN 111.A OD1 no hydrogen 2.768 N/A ASP 115.A N ASN 139.A O no hydrogen 2.824 N/A ASN 117.A N ASP 115.A OD1 no hydrogen 3.340 N/A ALA 118.A N ASP 115.A O no hydrogen 2.944 N/A HIS 119.A ND1 VAL 194.A O no hydrogen 2.662 N/A THR 120.A N ASN 139.A OD1 no hydrogen 2.963 N/A THR 120.A OG1 ALA 118.A O no hydrogen 2.793 N/A VAL 121.A N LEU 92.A O no hydrogen 3.377 N/A ALA 122.A N ASP 137.A O no hydrogen 2.847 N/A VAL 123.A N PHE 90.A O no hydrogen 2.930 N/A GLU 124.A N GLY 135.A O no hydrogen 2.928 N/A PHE 125.A N LEU 88.A O no hydrogen 2.695 N/A ASP 126.A N HIS 133.A O no hydrogen 2.831 N/A THR 127.A N ASP 86.A O no hydrogen 2.852 N/A THR 127.A OG1 GLU 215.A OE1 no hydrogen 2.569 N/A THR 127.A OG1 GLU 215.A OE2 no hydrogen 3.456 N/A LEU 128.A N ASP 126.A OD1 no hydrogen 2.841 N/A ARG 132.A NE THR 127.A O no hydrogen 2.620 N/A HIS 133.A N ASP 126.A O no hydrogen 3.157 N/A HIS 133.A ND1 PRO 131.A O no hydrogen 2.926 N/A ILE 134.A N THR 147.A O no hydrogen 2.955 N/A GLY 135.A N GLU 124.A O no hydrogen 2.896 N/A ILE 136.A N LYS 145.A O no hydrogen 2.904 N/A ASP 137.A N ALA 122.A O no hydrogen 2.687 N/A ASN 139.A N THR 120.A O no hydrogen 2.918 N/A ASN 139.A ND2 TYR 114.A OH no hydrogen 3.180 N/A SER 140.A OG LYS 113.A O no hydrogen 3.256 N/A SER 140.A OG LYS 142.A O no hydrogen 3.366 N/A LYS 142.A N SER 140.A OG no hydrogen 2.851 N/A SER 143.A OG ASP 137.A OD1 no hydrogen 2.740 N/A ILE 144.A N ILE 136.A O no hydrogen 3.010 N/A LYS 145.A NZ SER 186.A O no hydrogen 2.781 N/A THR 147.A N ILE 134.A O no hydrogen 2.972 N/A THR 147.A OG1 THR 148.A O no hydrogen 3.559 N/A THR 147.A OG1 ILE 184.A O no hydrogen 3.356 N/A TRP 149.A N ARG 132.A O no hydrogen 2.566 N/A VAL 152.A N TYR 176.A OH no hydrogen 3.070 N/A LYS 153.A NZ VAL 78.A O no hydrogen 2.830 N/A GLY 154.A N ILE 76.A O no hydrogen 2.872 N/A ALA 157.A N PHE 74.A O no hydrogen 2.590 N/A GLU 158.A N VAL 175.A O no hydrogen 2.730 N/A VAL 159.A N PHE 72.A O no hydrogen 2.836 N/A LEU 160.A N SER 173.A O no hydrogen 3.062 N/A ILE 161.A N THR 70.A O no hydrogen 2.830 N/A THR 162.A N VAL 171.A O no hydrogen 2.874 N/A TYR 163.A N PHE 68.A O no hydrogen 2.839 N/A TYR 163.A OH VAL 189.A O no hydrogen 2.679 N/A ASP 164.A N LEU 169.A O no hydrogen 3.152 N/A SER 165.A N SER 67.A OG no hydrogen 2.971 N/A SER 165.A OG VAL 65.A O no hydrogen 2.861 N/A SER 165.A OG SER 67.A OG no hydrogen 3.152 N/A SER 166.A N ASP 164.A OD1 no hydrogen 2.863 N/A THR 167.A N ASP 164.A OD1 no hydrogen 3.405 N/A THR 167.A OG1 ASP 164.A O no hydrogen 3.569 N/A LYS 168.A N ASP 164.A O no hydrogen 2.743 N/A LYS 168.A NZ ASP 190.A OD1 no hydrogen 3.515 N/A LEU 169.A N THR 167.A OG1 no hydrogen 3.095 N/A LEU 170.A N ASP 187.A O no hydrogen 2.666 N/A VAL 171.A N THR 162.A O no hydrogen 2.829 N/A ALA 172.A N VAL 185.A O no hydrogen 2.859 N/A SER 173.A N LEU 160.A O no hydrogen 2.897 N/A LEU 174.A N PHE 183.A O no hydrogen 2.850 N/A VAL 175.A N GLU 158.A O no hydrogen 2.831 N/A TYR 176.A N THR 181.A O no hydrogen 2.873 N/A SER 178.A OG GLU 155.A OE1 no hydrogen 2.466 N/A LEU 179.A N TYR 176.A O no hydrogen 3.124 N/A LYS 180.A N PRO 177.A O no hydrogen 3.161 N/A PHE 183.A N LEU 174.A O no hydrogen 2.848 N/A VAL 185.A N ALA 172.A O no hydrogen 2.857 N/A ASP 187.A N LEU 170.A O no hydrogen 2.980 N/A THR 188.A N ASP 187.A OD1 no hydrogen 2.892 N/A VAL 189.A N LYS 168.A O no hydrogen 2.607 N/A LYS 192.A NZ GLY 63.A O no hydrogen 3.205 N/A SER 193.A N ASP 190.A O no hydrogen 3.103 N/A SER 193.A OG ASP 190.A O no hydrogen 2.948 N/A SER 193.A OG ASP 190.A OD2 no hydrogen 3.034 N/A VAL 194.A N LEU 191.A O no hydrogen 2.760 N/A LEU 195.A N LEU 191.A O no hydrogen 2.505 N/A VAL 199.A N ILE 55.A O no hydrogen 2.698 N/A ILE 200.A N LEU 93.A O no hydrogen 2.721 N/A GLY 202.A N VAL 91.A O no hydrogen 3.040 N/A PHE 203.A N ALA 49.A O no hydrogen 2.767 N/A THR 204.A N ALA 89.A O no hydrogen 2.877 N/A THR 204.A OG1 LEU 106.A O no hydrogen 2.545 N/A ALA 205.A N GLY 47.A O no hydrogen 2.907 N/A THR 206.A N GLY 87.A O no hydrogen 2.950 N/A THR 206.A OG1 GLY 103.A O no hydrogen 2.695 N/A THR 207.A N SER 45.A O no hydrogen 3.139 N/A THR 207.A OG1 THR 42.A O no hydrogen 2.803 N/A ASN 213.A ND2 THR 210.A O no hydrogen 3.111 N/A VAL 214.A N GLY 83.A O no hydrogen 2.778 N/A THR 216.A N ASP 77.A O no hydrogen 2.814 N/A THR 216.A OG1 ASN 75.A O no hydrogen 3.511 N/A THR 216.A OG1 ASP 77.A O no hydrogen 3.556 N/A ASN 217.A ND2 THR 33.A OG1 no hydrogen 2.741 N/A ASN 217.A ND2 THR 206.A O no hydrogen 3.297 N/A ASP 218.A N ASN 75.A O no hydrogen 3.017 N/A ILE 219.A N LEU 30.A O no hydrogen 2.553 N/A LEU 220.A N THR 73.A O no hydrogen 2.625 N/A TRP 222.A N PHE 8.A O no hydrogen 2.844 N/A TRP 222.A NE1 THR 70.A OG1 no hydrogen 2.586 N/A SER 223.A N SER 71.A O no hydrogen 2.789 N/A SER 223.A OG SER 7.A OG no hydrogen 2.680 N/A PHE 224.A N PHE 6.A O no hydrogen 2.882 N/A ALA 225.A N ALA 69.A O no hydrogen 2.938 N/A SER 226.A N THR 4.A O no hydrogen 2.941 N/A LYS 227.A N SER 67.A O no hydrogen 2.813 N/A LEU 228.A N SER 2.A O no hydrogen 2.777 N/A