Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N TYR 5.A O no hydrogen 2.816 N/A GLY 4.A N ALA 1.A O no hydrogen 2.808 N/A TYR 5.A OH LYS 175.A O no hydrogen 2.693 N/A VAL 6.A N LEU 40.A O no hydrogen 2.908 N/A GLN 7.A NE2 ALA 41.A O no hydrogen 2.973 N/A GLN 7.A NE2 ASN 174.A OD1 no hydrogen 3.010 N/A THR 10.A OG1 PHE 137.A O no hydrogen 2.881 N/A THR 10.A OG1 THR 138.A OG1.A no hydrogen 3.271 N/A GLY 11.A N PHE 137.A O no hydrogen 3.148 N/A ALA 13.A N GLY 135.A O no hydrogen 2.990 N/A SER 14.A N PHE 111.A O no hydrogen 3.080 N/A SER 14.A OG HIS 112.A ND1 no hydrogen 2.713 N/A PHE 15.A N LEU 133.A O no hydrogen 2.818 N/A THR 16.A N PHE 113.A O no hydrogen 3.176 N/A THR 16.A OG1 HIS 112.A NE2 no hydrogen 2.856 N/A THR 16.A OG1 ASP 114.A OD1 no hydrogen 2.691 N/A TYR 18.A N ILE 115.A O no hydrogen 3.040 N/A TYR 18.A OH ASP 85.A OD2 no hydrogen 2.655 N/A GLY 20.A N ASP 118.A OD1 no hydrogen 2.926 N/A CYS 21.A N ASP 118.A OD2 no hydrogen 3.011 N/A CYS 21.A SG THR 34.A OG1 no hydrogen 3.682 N/A CYS 21.A SG ASP 118.A OD2 no hydrogen 3.770 N/A ALA 25.A N ASP 85.A OD1 no hydrogen 2.881 N/A CYS 26.A N THR 84.A O no hydrogen 3.029 N/A GLY 27.A N PRO 24.A O no hydrogen 2.854 N/A SER 31.A N SER 148.A O.A no hydrogen 2.777 N/A SER 31.A N SER 148.A O.B no hydrogen 2.841 N/A SER 31.A OG SER 148.A O.A no hydrogen 3.462 N/A SER 31.A OG SER 148.A O.B no hydrogen 3.321 N/A SER 31.A OG SER 148.A OG.B no hydrogen 3.322 N/A ALA 35.A N LYS 82.A O no hydrogen 3.128 N/A ALA 36.A N ASP 114.A O no hydrogen 2.826 N/A ILE 37.A N ASP 85.A O no hydrogen 3.061 N/A ASN 38.A N HIS 112.A O ASN 38.A H 3.149 2.448 ALA 41.A N ASN 38.A O no hydrogen 2.924 N/A PHE 42.A N ASN 38.A O no hydrogen 2.864 N/A GLY 43.A N GLN 39.A O GLY 43.A H 3.392 2.552 SER 44.A OG ALA 45.A O no hydrogen 3.538 N/A SER 44.A OG GLY 49.A O no hydrogen 2.858 N/A LEU 48.A N ALA 45.A O LEU 48.A H 3.023 2.172 ASP 52.A N ASN 174.A OD1 no hydrogen 3.078 N/A ALA 53.A N PHE 42.A O no hydrogen 3.129 N/A CYS 54.A N GLY 51.A O no hydrogen 3.035 N/A CYS 54.A SG GLY 51.A O no hydrogen 3.283 N/A GLY 55.A N VAL 83.A O no hydrogen 2.790 N/A ARG 56.A N ALA 53.A O no hydrogen 3.098 N/A ARG 56.A NE ASP 52.A O no hydrogen 2.894 N/A ARG 56.A NH1 GLU 139.A OE2 no hydrogen 3.049 N/A ARG 56.A NH1 PRO 165.A O no hydrogen 2.945 N/A ARG 56.A NH2 ASP 52.A OD2 no hydrogen 2.941 N/A ARG 56.A NH2 SER 169.A OG no hydrogen 2.932 N/A CYS 57.A SG GLY 55.A O no hydrogen 4.023 N/A PHE 58.A N VAL 81.A O no hydrogen 2.923 N/A ALA 59.A N THR 138.A O no hydrogen 2.779 N/A LEU 60.A N ILE 79.A O no hydrogen 2.820 N/A THR 61.A N THR 136.A O no hydrogen 3.006 N/A THR 61.A OG1 THR 78.A OG1 no hydrogen 2.803 N/A ASN 63.A N THR 134.A O no hydrogen 2.849 N/A HIS 64.A ND1.B THR 134.A OG1 no hydrogen 2.812 N/A TYR 67.A N ASP 65.A OD1 no hydrogen 2.794 N/A TYR 67.A OH HIS 107.A NE2 no hydrogen 3.314 N/A SER 68.A N ASP 65.A O no hydrogen 3.022 N/A TYR 71.A N SER 68.A O no hydrogen 2.966 N/A TYR 71.A OH PRO 74.A O no hydrogen 2.503 N/A GLN 77.A N LYS 124.A O no hydrogen 3.002 N/A THR 78.A OG1 THR 61.A OG1 no hydrogen 2.803 N/A ILE 79.A N LEU 60.A O no hydrogen 3.248 N/A VAL 81.A N PHE 58.A O no hydrogen 2.908 N/A LYS 82.A N PHE 33.A O no hydrogen 2.978 N/A LYS 82.A NZ ASP 149.A OD1 no hydrogen 2.936 N/A LYS 82.A NZ GLU 162.A OE1 no hydrogen 2.737 N/A VAL 83.A N ARG 56.A O no hydrogen 2.923 N/A THR 84.A N ALA 35.A O THR 84.A H 3.068 2.285 LEU 86.A N ASP 85.A OD1 LEU 86.A H 2.891 2.137 CYS 87.A N ILE 37.A O no hydrogen 2.898 N/A VAL 89.A N GLN 39.A OE1 no hydrogen 2.965 N/A GLY 91.A N PRO 88.A O no hydrogen 3.279 N/A ASP 92.A N PRO 88.A O no hydrogen 3.239 N/A PHE 95.A N ASP 92.A OD1 no hydrogen 3.080 N/A CYS 96.A N ASP 92.A O no hydrogen 2.850 N/A GLN 98.A N GLN 98.A OE1 no hydrogen 2.798 N/A GLN 98.A NE2 PHE 95.A O no hydrogen 3.342 N/A GLN 98.A NE2 MET 109.A O no hydrogen 3.098 N/A THR 99.A N ASN 102.A O no hydrogen 2.943 N/A THR 99.A OG1 ASN 102.A O no hydrogen 3.549 N/A THR 99.A OG1 SER 180.A OXT no hydrogen 3.326 N/A THR 100.A N PRO 179.A O no hydrogen 2.893 N/A THR 100.A OG1 PRO 179.A O no hydrogen 3.547 N/A SER 101.A N SER 180.A OXT no hydrogen 3.172 N/A SER 101.A OG SER 180.A OXT no hydrogen 2.566 N/A ASN 102.A N THR 99.A O no hydrogen 3.180 N/A ASN 102.A N THR 99.A OG1 no hydrogen 3.195 N/A ASN 105.A N MET 109.A O no hydrogen 2.918 N/A ASN 105.A ND2 SER 14.A OG no hydrogen 2.814 N/A ASN 105.A ND2 PHE 95.A O no hydrogen 2.834 N/A GLN 106.A N GLU 94.A O no hydrogen 3.197 N/A HIS 107.A N ASN 105.A OD1 no hydrogen 2.942 N/A HIS 107.A NE2 GLU 94.A OE2 no hydrogen 2.846 N/A GLY 108.A N ASN 105.A O no hydrogen 2.930 N/A MET 109.A N ASN 105.A OD1 no hydrogen 3.016 N/A HIS 112.A N ASN 38.A OD1 no hydrogen 2.901 N/A HIS 112.A ND1 SER 14.A OG no hydrogen 2.713 N/A HIS 112.A NE2 THR 16.A OG1 no hydrogen 2.856 N/A PHE 113.A N SER 14.A O no hydrogen 2.954 N/A ASP 114.A N ALA 36.A O no hydrogen 2.872 N/A ILE 115.A N THR 16.A O no hydrogen 2.784 N/A CYS 116.A N THR 34.A O no hydrogen 2.956 N/A GLU 117.A N TYR 18.A O no hydrogen 2.777 N/A THR 119.A OG1 GLY 32.A O no hydrogen 2.939 N/A GLY 120.A N GLU 117.A O no hydrogen 2.985 N/A LYS 124.A N GLY 121.A O no hydrogen 3.266 N/A PHE 125.A N GLY 121.A O no hydrogen 3.280 N/A PHE 125.A N SER 122.A O no hydrogen 3.153 N/A PHE 126.A N SER 122.A O no hydrogen 2.955 N/A HIS 130.A N PRO 127.A O no hydrogen 3.049 N/A HIS 130.A ND1 ASP 65.A OD2 no hydrogen 2.610 N/A LEU 133.A N PHE 15.A O no hydrogen 3.079 N/A THR 134.A N HIS 64.A O.A no hydrogen 2.832 N/A THR 134.A N HIS 64.A O.B no hydrogen 2.779 N/A THR 134.A OG1 HIS 64.A ND1.B no hydrogen 2.812 N/A GLY 135.A N ALA 13.A O no hydrogen 2.813 N/A THR 136.A N THR 61.A O no hydrogen 2.864 N/A PHE 137.A N GLY 11.A O no hydrogen 3.060 N/A THR 138.A N ALA 59.A O no hydrogen 3.000 N/A THR 138.A OG1.A THR 10.A OG1 no hydrogen 3.271 N/A GLU 139.A N ALA 9.A O no hydrogen 2.664 N/A VAL 140.A N CYS 57.A O no hydrogen 2.989 N/A SER 141.A OG SER 143.A OG no hydrogen 3.118 N/A CYS 142.A SG GLY 55.A O no hydrogen 3.469 N/A CYS 142.A SG GLU 162.A O no hydrogen 3.648 N/A SER 143.A N SER 141.A OG no hydrogen 3.044 N/A SER 143.A OG SER 141.A OG no hydrogen 3.118 N/A GLN 144.A N SER 141.A O no hydrogen 3.009 N/A GLN 144.A NE2 SER 143.A OG no hydrogen 2.966 N/A TRP 145.A N CYS 142.A O no hydrogen 3.047 N/A TRP 145.A NE1 PHE 33.A O no hydrogen 2.892 N/A SER 148.A N.A SER 31.A OG no hydrogen 2.923 N/A SER 148.A N.B SER 31.A OG no hydrogen 2.951 N/A SER 148.A OG.B SER 31.A OG no hydrogen 3.322 N/A GLY 150.A N ALA 29.A O no hydrogen 2.781 N/A GLN 152.A NE2 ASN 155.A OD1 no hydrogen 3.459 N/A LEU 153.A N GLY 27.A O no hydrogen 2.859 N/A ALA 157.A N TRP 154.A O no hydrogen 3.184 N/A CYS 158.A N CYS 26.A O no hydrogen 3.044 N/A CYS 158.A SG SER 160.A OG.A no hydrogen 3.608 N/A CYS 158.A SG SER 160.A OG.B no hydrogen 3.087 N/A GLY 161.A N CYS 54.A O no hydrogen 3.072 N/A GLU 162.A N LEU 159.A O no hydrogen 2.942 N/A THR 163.A N SER 160.A O.A no hydrogen 3.135 N/A THR 163.A N SER 160.A O.B no hydrogen 3.262 N/A THR 163.A OG1 SER 160.A O.A no hydrogen 3.393 N/A THR 163.A OG1 SER 160.A O.B no hydrogen 3.451 N/A ALA 164.A N GLY 161.A O no hydrogen 3.173 N/A ASN 166.A ND2 GLU 139.A O no hydrogen 3.302 N/A TRP 167.A N GLU 139.A OE1 no hydrogen 3.019 N/A TRP 167.A NE1 ASP 52.A OD2 no hydrogen 2.855 N/A SER 169.A OG PRO 165.A O no hydrogen 2.660 N/A SER 169.A OG ASN 166.A O no hydrogen 3.394 N/A ALA 171.A N ASP 52.A OD1 no hydrogen 2.671 N/A CYS 172.A SG CYS 54.A O no hydrogen 3.863 N/A CYS 172.A SG SER 160.A OG.B no hydrogen 3.292 N/A GLY 173.A N ASP 52.A OD1 no hydrogen 2.822 N/A ASN 174.A ND2 THR 2.A O no hydrogen 3.019 N/A ASN 174.A ND2 GLN 7.A OE1 no hydrogen 3.032 N/A LYS 175.A N GLY 43.A O no hydrogen 2.800 N/A LYS 175.A NZ ALA 50.A O no hydrogen 2.916 N/A LYS 175.A NZ CYS 172.A O no hydrogen 3.261 N/A LYS 175.A NZ GLY 173.A O no hydrogen 3.084 N/A ALA 178.A N GLY 3.A O no hydrogen 2.806 N/A