Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ALA 1.A O no hydrogen 2.972 N/A TYR 5.A OH LYS 175.A O.A no hydrogen 2.701 N/A TYR 5.A OH LYS 175.A O.B no hydrogen 2.688 N/A VAL 6.A N LEU 40.A O no hydrogen 2.891 N/A GLN 7.A NE2 ALA 41.A O no hydrogen 2.884 N/A GLN 7.A NE2 ASN 174.A OD1 no hydrogen 2.928 N/A GLN 8.A NE2.A THR 10.A O no hydrogen 2.877 N/A GLY 11.A N PHE 137.A O no hydrogen 3.061 N/A ALA 13.A N GLY 135.A O no hydrogen 3.032 N/A SER 14.A N PHE 111.A O no hydrogen 3.138 N/A SER 14.A OG HIS 112.A ND1 no hydrogen 2.676 N/A PHE 15.A N LEU 133.A O no hydrogen 2.792 N/A THR 16.A N PHE 113.A O no hydrogen 3.214 N/A THR 16.A OG1 HIS 112.A NE2 no hydrogen 2.789 N/A THR 16.A OG1 ASN 114.A OD1 no hydrogen 2.709 N/A TYR 18.A N ILE 115.A O no hydrogen 3.051 N/A TYR 18.A OH ASP 85.A OD2 TYR 18.A HH 2.639 1.968 GLY 20.A N ASP 118.A OD1 no hydrogen 2.910 N/A CYS 21.A N ASP 118.A OD2 no hydrogen 2.892 N/A CYS 21.A SG THR 34.A OG1 no hydrogen 3.638 N/A ALA 25.A N ASP 85.A OD1 ALA 25.A H 2.895 2.086 CYS 26.A N THR 84.A O CYS 26.A H 3.040 2.218 CYS 26.A SG VAL 83.A O no hydrogen 4.008 N/A GLY 27.A N PRO 24.A O no hydrogen 2.939 N/A SER 31.A N SER 148.A O no hydrogen 2.864 N/A SER 31.A OG SER 148.A O no hydrogen 3.426 N/A ALA 35.A N LYS 82.A O no hydrogen 3.057 N/A ALA 36.A N ASN 114.A O ALA 36.A H 2.809 1.999 ILE 37.A N ASP 85.A O no hydrogen 3.043 N/A ASN 38.A N HIS 112.A O no hydrogen 3.036 N/A GLN 39.A N CYS 87.A O no hydrogen 2.895 N/A ALA 41.A N ASN 38.A O no hydrogen 2.894 N/A PHE 42.A N ASN 38.A O PHE 42.A H 2.842 2.110 GLY 43.A N GLN 39.A O no hydrogen 3.326 N/A SER 44.A OG GLY 49.A O no hydrogen 2.855 N/A LEU 48.A N ALA 45.A O no hydrogen 2.980 N/A ASP 52.A N ASN 174.A OD1 ASP 52.A H 3.097 2.301 ALA 53.A N PHE 42.A O ALA 53.A H 3.150 2.297 CYS 54.A N GLY 51.A O no hydrogen 3.042 N/A CYS 54.A SG GLY 51.A O no hydrogen 3.230 N/A GLY 55.A N VAL 83.A O GLY 55.A H 2.843 1.986 ARG 56.A N ALA 53.A O no hydrogen 3.151 N/A ARG 56.A NE ASP 52.A O no hydrogen 2.942 N/A ARG 56.A NH1 GLU 139.A OE2 no hydrogen 2.819 N/A ARG 56.A NH1 PRO 165.A O no hydrogen 2.885 N/A ARG 56.A NH2 ASP 52.A OD2 ARG 56.A HH21 3.037 2.290 CYS 57.A SG GLY 55.A O no hydrogen 4.047 N/A PHE 58.A N VAL 81.A O no hydrogen 2.898 N/A ALA 59.A N THR 138.A O no hydrogen 2.828 N/A LEU 60.A N ILE 79.A O LEU 60.A H 2.801 1.956 THR 61.A N THR 136.A O no hydrogen 2.978 N/A THR 61.A OG1 THR 78.A OG1 no hydrogen 2.779 N/A ASN 63.A N THR 134.A O no hydrogen 2.873 N/A TYR 67.A N ASP 65.A OD1 no hydrogen 2.871 N/A TYR 67.A OH GLU 94.A OE1 no hydrogen 3.256 N/A TYR 67.A OH GLU 94.A OE2 no hydrogen 2.551 N/A SER 68.A N ASP 65.A O no hydrogen 3.058 N/A SER 68.A N ASP 65.A OD1 no hydrogen 3.344 N/A TYR 71.A N SER 68.A O no hydrogen 2.987 N/A TYR 71.A OH PRO 74.A O.A no hydrogen 2.609 N/A TYR 71.A OH PRO 74.A O.B no hydrogen 2.612 N/A GLN 77.A N.A LYS 124.A O.A no hydrogen 2.837 N/A GLN 77.A N.A LYS 124.A O.B no hydrogen 2.972 N/A GLN 77.A N.B LYS 124.A O.A no hydrogen 2.823 N/A GLN 77.A N.B LYS 124.A O.B no hydrogen 2.958 N/A ILE 79.A N LEU 60.A O no hydrogen 3.119 N/A VAL 81.A N PHE 58.A O no hydrogen 2.907 N/A LYS 82.A N PHE 33.A O no hydrogen 2.943 N/A LYS 82.A NZ ASP 149.A OD1 no hydrogen 2.884 N/A LYS 82.A NZ GLU 162.A OE1 no hydrogen 2.753 N/A VAL 83.A N ARG 56.A O VAL 83.A H 2.874 2.037 THR 84.A N ALA 35.A O no hydrogen 2.993 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.850 N/A CYS 87.A N ILE 37.A O CYS 87.A H 2.900 2.041 VAL 89.A N GLN 39.A OE1 VAL 89.A H 3.068 2.248 ASN 92.A N VAL 89.A O no hydrogen 3.141 N/A ASN 92.A ND2 GLN 90.A O no hydrogen 2.881 N/A CYS 96.A N ASN 92.A O no hydrogen 2.764 N/A GLY 97.A N GLN 93.A O no hydrogen 3.070 N/A GLN 98.A N GLN 98.A OE1 no hydrogen 2.793 N/A GLN 98.A NE2 PHE 95.A O no hydrogen 3.250 N/A GLN 98.A NE2 MET 109.A O no hydrogen 3.055 N/A THR 99.A N ASN 102.A O no hydrogen 2.899 N/A THR 99.A OG1 SER 101.A OG no hydrogen 3.132 N/A THR 99.A OG1 SER 180.A OXT no hydrogen 3.467 N/A THR 100.A N PRO 179.A O no hydrogen 2.910 N/A THR 100.A OG1 SER 180.A OXT no hydrogen 3.490 N/A SER 101.A N SER 180.A OXT SER 101.A H 3.207 2.429 SER 101.A OG THR 99.A OG1 no hydrogen 3.132 N/A SER 101.A OG SER 180.A OXT no hydrogen 2.704 N/A ASN 102.A N THR 99.A OG1 no hydrogen 2.909 N/A ASN 102.A ND2 SER 101.A OG no hydrogen 2.941 N/A ASN 105.A N MET 109.A O no hydrogen 2.962 N/A ASN 105.A ND2 PHE 95.A O ASN 105.A HD22 2.871 2.013 GLN 106.A N GLU 94.A O no hydrogen 3.085 N/A HIS 107.A N ASN 105.A OD1 no hydrogen 2.868 N/A HIS 107.A NE2 GLU 94.A OE2 no hydrogen 2.824 N/A GLY 108.A N ASN 105.A O no hydrogen 2.886 N/A MET 109.A N ASN 105.A OD1 no hydrogen 2.986 N/A HIS 112.A N ASN 38.A OD1 no hydrogen 2.918 N/A HIS 112.A ND1 SER 14.A OG no hydrogen 2.676 N/A HIS 112.A NE2 THR 16.A OG1 no hydrogen 2.789 N/A PHE 113.A N SER 14.A O no hydrogen 2.980 N/A ASN 114.A N ALA 36.A O ASN 114.A H 2.831 2.006 ILE 115.A N THR 16.A O ILE 115.A H 2.800 1.960 CYS 116.A N THR 34.A O no hydrogen 2.915 N/A CYS 116.A SG TYR 18.A O no hydrogen 3.928 N/A GLU 117.A N TYR 18.A O GLU 117.A H 2.768 1.947 THR 119.A OG1 GLY 32.A O no hydrogen 2.661 N/A GLY 120.A N GLU 117.A O GLY 120.A H 2.972 2.150 ALA 123.A N GLY 120.A O ALA 123.A H 3.223 2.613 LYS 124.A N.A GLY 121.A O no hydrogen 3.191 N/A LYS 124.A N.B GLY 121.A O no hydrogen 3.235 N/A PHE 125.A N GLY 121.A O no hydrogen 3.046 N/A PHE 126.A N SER 122.A O no hydrogen 3.068 N/A HIS 130.A N PRO 127.A O no hydrogen 3.050 N/A HIS 130.A ND1 ASP 65.A OD2 no hydrogen 2.618 N/A LEU 133.A N PHE 15.A O no hydrogen 3.004 N/A THR 134.A N HIS 64.A O no hydrogen 2.834 N/A GLY 135.A N ALA 13.A O no hydrogen 2.880 N/A THR 136.A N THR 61.A O no hydrogen 2.884 N/A PHE 137.A N GLY 11.A O PHE 137.A H 2.974 2.157 THR 138.A N ALA 59.A O no hydrogen 3.002 N/A GLU 139.A N ALA 9.A O no hydrogen 2.760 N/A VAL 140.A N CYS 57.A O no hydrogen 2.913 N/A SER 141.A OG SER 143.A OG no hydrogen 2.876 N/A CYS 142.A SG GLY 55.A O no hydrogen 3.448 N/A CYS 142.A SG GLU 162.A O no hydrogen 3.680 N/A SER 143.A N SER 141.A OG SER 143.A H 2.939 2.098 SER 143.A OG SER 141.A OG SER 143.A HG 2.876 2.157 GLN 144.A N SER 141.A O no hydrogen 2.966 N/A TRP 145.A N CYS 142.A O no hydrogen 2.983 N/A TRP 145.A NE1 PHE 33.A O TRP 145.A HE1 2.831 2.006 SER 148.A N SER 31.A OG no hydrogen 2.932 N/A GLY 150.A N ALA 29.A O GLY 150.A H 2.797 1.938 LEU 153.A N GLY 27.A O no hydrogen 2.832 N/A ALA 157.A N TRP 154.A O no hydrogen 3.239 N/A CYS 158.A N CYS 26.A O no hydrogen 2.883 N/A CYS 158.A SG SER 160.A OG.A no hydrogen 3.192 N/A CYS 158.A SG SER 160.A OG.B no hydrogen 3.587 N/A GLY 161.A N CYS 54.A O no hydrogen 2.913 N/A GLU 162.A N LEU 159.A O no hydrogen 2.984 N/A THR 163.A N SER 160.A O.A no hydrogen 3.321 N/A THR 163.A N SER 160.A O.B no hydrogen 3.161 N/A TRP 167.A N GLU 139.A OE1 no hydrogen 2.791 N/A TRP 167.A NE1 ASP 52.A OD2 no hydrogen 2.857 N/A SER 169.A N ASN 166.A O no hydrogen 2.960 N/A SER 169.A OG ASN 166.A O no hydrogen 3.373 N/A ALA 171.A N ASP 52.A OD1 no hydrogen 2.687 N/A CYS 172.A SG CYS 54.A O no hydrogen 3.815 N/A CYS 172.A SG SER 160.A OG.A no hydrogen 3.289 N/A GLY 173.A N ASP 52.A OD1 no hydrogen 2.810 N/A ASN 174.A ND2 THR 2.A O ASN 174.A HD22 3.040 2.245 LYS 175.A N.A GLY 43.A O no hydrogen 2.798 N/A LYS 175.A N.B GLY 43.A O no hydrogen 2.790 N/A LYS 175.A NZ.A ALA 50.A O no hydrogen 2.771 N/A LYS 175.A NZ.A GLY 173.A O no hydrogen 3.307 N/A LYS 175.A NZ.B ALA 50.A O no hydrogen 2.856 N/A ALA 178.A N GLY 3.A O ALA 178.A H 2.860 2.007