Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x2p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N TYR 5.A O no hydrogen 2.869 N/A GLY 4.A N ALA 1.A O no hydrogen 2.887 N/A TYR 5.A OH LYS 174.A O no hydrogen 2.730 N/A VAL 6.A N LEU 40.A O no hydrogen 2.934 N/A GLN 7.A NE2 ALA 41.A O no hydrogen 2.971 N/A GLN 7.A NE2 ASN 173.A OD1 no hydrogen 2.988 N/A GLN 8.A NE2.B GLN 7.A O no hydrogen 3.687 N/A THR 10.A OG1 PHE 136.A O no hydrogen 2.823 N/A GLY 11.A N PHE 136.A O no hydrogen 3.197 N/A ALA 13.A N GLY 134.A O no hydrogen 2.999 N/A SER 14.A N PHE 110.A O SER 14.A H.A 3.102 2.328 SER 14.A OG HIS 111.A ND1 no hydrogen 2.663 N/A PHE 15.A N LEU 132.A O PHE 15.A H.A 2.829 2.123 THR 16.A N PHE 112.A O no hydrogen 3.145 N/A THR 16.A OG1 HIS 111.A NE2 no hydrogen 2.801 N/A THR 16.A OG1 ASP 113.A OD1 no hydrogen 2.650 N/A TYR 18.A N ILE 114.A O no hydrogen 3.045 N/A TYR 18.A OH ASP 85.A OD2 no hydrogen 2.660 N/A GLY 20.A N ASP 117.A OD1 no hydrogen 2.902 N/A CYS 21.A N ASP 117.A OD2 no hydrogen 2.997 N/A CYS 21.A SG THR 34.A OG1 no hydrogen 3.723 N/A CYS 21.A SG ASP 117.A OD2 no hydrogen 3.788 N/A SER 23.A OG.B SER 23.A O.B no hydrogen 2.556 N/A ALA 25.A N ASP 85.A OD1 no hydrogen 2.938 N/A CYS 26.A N THR 84.A O CYS 26.A H.A 3.049 2.226 GLY 27.A N PRO 24.A O no hydrogen 2.965 N/A SER 31.A N.A SER 147.A O.A no hydrogen 2.831 N/A SER 31.A N.A SER 147.A O.B no hydrogen 2.834 N/A SER 31.A N.A SER 147.A O.C no hydrogen 2.875 N/A SER 31.A N.B SER 147.A O.A no hydrogen 2.825 N/A SER 31.A N.B SER 147.A O.B no hydrogen 2.833 N/A SER 31.A N.B SER 147.A O.C no hydrogen 2.875 N/A SER 31.A OG.A SER 147.A O.A no hydrogen 3.410 N/A SER 31.A OG.A SER 147.A O.B no hydrogen 3.325 N/A SER 31.A OG.A SER 147.A O.C no hydrogen 3.312 N/A SER 31.A OG.A SER 147.A OG.B no hydrogen 3.276 N/A ALA 35.A N LYS 82.A O no hydrogen 3.128 N/A ALA 36.A N ASP 113.A O ALA 36.A H.A 2.818 2.012 ILE 37.A N ASP 85.A O no hydrogen 3.069 N/A ASN 38.A N HIS 111.A O no hydrogen 3.092 N/A GLN 39.A N CYS 87.A O no hydrogen 3.004 N/A ALA 41.A N ASN 38.A O no hydrogen 2.929 N/A PHE 42.A N ASN 38.A O no hydrogen 2.883 N/A PHE 42.A N GLN 39.A O no hydrogen 3.136 N/A GLY 43.A N GLN 39.A O no hydrogen 3.444 N/A LEU 48.A N ALA 45.A O no hydrogen 3.052 N/A ASP 52.A N ASN 173.A OD1 no hydrogen 3.068 N/A ALA 53.A N PHE 42.A O no hydrogen 3.154 N/A CYS 54.A N GLY 51.A O no hydrogen 3.027 N/A CYS 54.A SG GLY 51.A O no hydrogen 3.280 N/A GLY 55.A N VAL 83.A O no hydrogen 2.835 N/A ARG 56.A N ALA 53.A O no hydrogen 3.134 N/A ARG 56.A NE ASP 52.A O no hydrogen 2.939 N/A ARG 56.A NH1 GLU 138.A OE2 no hydrogen 3.077 N/A ARG 56.A NH1 PRO 164.A O no hydrogen 2.928 N/A ARG 56.A NH2 ASP 52.A OD2 no hydrogen 2.932 N/A ARG 56.A NH2 SER 168.A OG no hydrogen 2.876 N/A CYS 57.A SG GLY 55.A O no hydrogen 3.990 N/A PHE 58.A N VAL 81.A O PHE 58.A H.A 2.941 2.148 ALA 59.A N THR 137.A O.A ALA 59.A H.A 2.898 2.064 ALA 59.A N THR 137.A O.B ALA 59.A H.A 2.746 1.959 LEU 60.A N ILE 79.A O LEU 60.A H.A 2.861 2.035 THR 61.A N THR 135.A O THR 61.A H.A 2.999 2.164 THR 61.A OG1 THR 78.A OG1 THR 61.A HG1.A 2.813 2.048 ASN 63.A N THR 133.A O no hydrogen 2.877 N/A HIS 64.A N.B THR 133.A O no hydrogen 3.281 N/A HIS 64.A ND1.A THR 133.A OG1 HIS 64.A HD1.A 2.765 1.950 TYR 67.A N ASP 65.A OD1 no hydrogen 2.916 N/A TYR 67.A OH GLU 93.A OE2 no hydrogen 2.523 N/A SER 68.A N ASP 65.A O no hydrogen 3.117 N/A TYR 71.A N SER 68.A O no hydrogen 2.962 N/A TYR 71.A OH PRO 74.A O no hydrogen 2.571 N/A GLN 77.A N LYS 123.A O no hydrogen 3.056 N/A THR 78.A OG1 THR 61.A OG1 no hydrogen 2.813 N/A ILE 79.A N LEU 60.A O no hydrogen 3.293 N/A VAL 81.A N PHE 58.A O VAL 81.A H.A 2.935 2.120 LYS 82.A N PHE 33.A O no hydrogen 3.038 N/A LYS 82.A NZ ASP 148.A OD1 no hydrogen 2.945 N/A LYS 82.A NZ GLU 161.A OE1 no hydrogen 2.801 N/A VAL 83.A N ARG 56.A O no hydrogen 2.915 N/A THR 84.A N ALA 35.A O no hydrogen 3.025 N/A ASP 85.A OD2 TYR 18.A OH no hydrogen 2.660 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.882 N/A CYS 87.A N ILE 37.A O no hydrogen 2.888 N/A VAL 89.A N GLN 39.A OE1 no hydrogen 3.055 N/A GLY 96.A N GLN 92.A O.A no hydrogen 3.265 N/A GLN 97.A N GLN 97.A OE1 no hydrogen 2.840 N/A GLN 97.A NE2 PHE 94.A O no hydrogen 3.289 N/A GLN 97.A NE2 MET 108.A O no hydrogen 3.104 N/A THR 98.A N ASN 101.A O no hydrogen 2.950 N/A THR 98.A OG1 SER 179.A OXT no hydrogen 3.210 N/A THR 99.A N PRO 178.A O no hydrogen 2.924 N/A THR 99.A OG1 PRO 178.A O no hydrogen 3.446 N/A SER 100.A N SER 179.A OXT no hydrogen 3.255 N/A SER 100.A OG SER 179.A OXT no hydrogen 2.624 N/A ASN 101.A N THR 98.A O no hydrogen 3.209 N/A ASN 101.A N THR 98.A OG1 no hydrogen 3.174 N/A ASN 104.A N MET 108.A O no hydrogen 2.992 N/A ASN 104.A ND2 SER 14.A OG no hydrogen 2.828 N/A ASN 104.A ND2 PHE 94.A O no hydrogen 2.930 N/A GLN 105.A N GLU 93.A O no hydrogen 3.079 N/A HIS 106.A N ASN 104.A OD1 no hydrogen 2.914 N/A HIS 106.A NE2 GLU 93.A OE2 no hydrogen 2.799 N/A GLY 107.A N ASN 104.A O no hydrogen 3.051 N/A MET 108.A N ASN 104.A OD1 no hydrogen 3.022 N/A HIS 111.A N ASN 38.A OD1 no hydrogen 2.928 N/A HIS 111.A ND1 SER 14.A OG no hydrogen 2.663 N/A HIS 111.A NE2 THR 16.A OG1 no hydrogen 2.801 N/A PHE 112.A N SER 14.A O no hydrogen 2.959 N/A ASP 113.A N ALA 36.A O ASP 113.A H.A 2.868 2.037 ILE 114.A N THR 16.A O ILE 114.A H.A 2.809 1.958 CYS 115.A N THR 34.A O no hydrogen 2.968 N/A GLU 116.A N TYR 18.A O no hydrogen 2.808 N/A THR 118.A OG1 GLY 32.A O no hydrogen 3.027 N/A GLY 119.A N GLU 116.A O no hydrogen 3.072 N/A LYS 123.A N GLY 120.A O no hydrogen 3.266 N/A PHE 124.A N GLY 120.A O no hydrogen 3.213 N/A PHE 124.A N SER 121.A O.B no hydrogen 3.050 N/A PHE 124.A N SER 121.A O.C no hydrogen 3.110 N/A PHE 125.A N SER 121.A O.A no hydrogen 3.031 N/A PHE 125.A N SER 121.A O.B no hydrogen 2.939 N/A PHE 125.A N SER 121.A O.C no hydrogen 2.954 N/A HIS 129.A N PRO 126.A O no hydrogen 3.039 N/A HIS 129.A ND1 ASP 65.A OD2 no hydrogen 2.568 N/A LEU 132.A N PHE 15.A O no hydrogen 3.021 N/A THR 133.A N HIS 64.A O.A no hydrogen 2.839 N/A THR 133.A N HIS 64.A O.B no hydrogen 2.879 N/A GLY 134.A N ALA 13.A O GLY 134.A H.A 2.867 2.138 THR 135.A N THR 61.A O no hydrogen 2.893 N/A PHE 136.A N GLY 11.A O no hydrogen 3.021 N/A THR 137.A N.A ALA 59.A O no hydrogen 3.031 N/A THR 137.A N.B ALA 59.A O no hydrogen 2.990 N/A GLU 138.A N ALA 9.A O no hydrogen 2.730 N/A VAL 139.A N CYS 57.A O VAL 139.A H.A 2.995 2.169 SER 140.A OG SER 142.A OG no hydrogen 3.134 N/A CYS 141.A SG GLY 55.A O no hydrogen 3.447 N/A CYS 141.A SG GLU 161.A O no hydrogen 3.608 N/A SER 142.A N SER 140.A OG no hydrogen 3.043 N/A SER 142.A OG SER 140.A OG no hydrogen 3.134 N/A GLN 143.A N SER 140.A O no hydrogen 3.035 N/A GLN 143.A NE2 SER 142.A OG no hydrogen 3.006 N/A TRP 144.A N CYS 141.A O no hydrogen 3.047 N/A TRP 144.A NE1 PHE 33.A O no hydrogen 2.864 N/A SER 147.A N.A SER 31.A OG.A no hydrogen 2.946 N/A SER 147.A N.B SER 31.A OG.A no hydrogen 2.954 N/A SER 147.A N.C SER 31.A OG.A no hydrogen 2.950 N/A SER 147.A OG.B SER 31.A OG.A no hydrogen 3.276 N/A SER 147.A OG.C ASP 148.A O no hydrogen 3.424 N/A ASP 148.A OD2 GLU 161.A OE1 ASP 148.A HD2.A 2.472 1.559 GLY 149.A N ALA 29.A O no hydrogen 2.812 N/A LEU 152.A N GLY 27.A O no hydrogen 2.948 N/A ALA 156.A N TRP 153.A O no hydrogen 3.207 N/A CYS 157.A N CYS 26.A O no hydrogen 2.966 N/A CYS 157.A SG SER 159.A OG.A no hydrogen 3.579 N/A CYS 157.A SG SER 159.A OG.B no hydrogen 3.278 N/A GLY 160.A N CYS 54.A O no hydrogen 3.061 N/A GLU 161.A N LEU 158.A O no hydrogen 2.968 N/A THR 162.A N SER 159.A O.A no hydrogen 3.118 N/A THR 162.A N SER 159.A O.B no hydrogen 3.438 N/A THR 162.A OG1 SER 159.A O.A no hydrogen 3.257 N/A THR 162.A OG1 SER 159.A O.B no hydrogen 3.423 N/A ALA 163.A N GLY 160.A O no hydrogen 3.203 N/A ASN 165.A ND2 GLU 138.A O no hydrogen 3.295 N/A TRP 166.A N GLU 138.A OE1 no hydrogen 3.019 N/A TRP 166.A NE1 ASP 52.A OD2 no hydrogen 2.875 N/A SER 168.A OG PRO 164.A O no hydrogen 2.739 N/A SER 168.A OG ASN 165.A O no hydrogen 3.449 N/A ALA 170.A N ASP 52.A OD1 no hydrogen 2.735 N/A CYS 171.A SG CYS 54.A O no hydrogen 3.823 N/A CYS 171.A SG SER 159.A OG.B no hydrogen 3.500 N/A GLY 172.A N ASP 52.A OD1 no hydrogen 2.884 N/A ASN 173.A ND2 THR 2.A O no hydrogen 2.984 N/A ASN 173.A ND2 GLN 7.A OE1 no hydrogen 3.015 N/A LYS 174.A N GLY 43.A O no hydrogen 2.826 N/A LYS 174.A NZ ALA 50.A O no hydrogen 2.829 N/A LYS 174.A NZ CYS 171.A O no hydrogen 3.383 N/A LYS 174.A NZ GLY 172.A O no hydrogen 3.224 N/A ALA 177.A N GLY 3.A O no hydrogen 2.826 N/A