Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE1 no hydrogen 2.756 N/A ILE 4.A N LYS 9.A O no hydrogen 2.884 N/A GLY 5.A N PRO 124.A O no hydrogen 2.789 N/A TYR 7.A N ILE 4.A O no hydrogen 2.759 N/A TYR 7.A OH TYR 118.A OH no hydrogen 3.069 N/A SER 8.A N ASP 6.A OD1 no hydrogen 3.160 N/A SER 8.A OG ASP 6.A OD1 no hydrogen 2.652 N/A SER 8.A OG ASP 6.A OD2 no hydrogen 3.509 N/A LYS 9.A NZ SER 8.A OG no hydrogen 2.803 N/A LEU 12.A N GLU 125.A OE2 no hydrogen 2.856 N/A LEU 13.A N TYR 127.A OH no hydrogen 3.098 N/A VAL 16.A N TYR 25.A O no hydrogen 2.897 N/A LYS 19.A NZ SER 98.A O.A no hydrogen 2.886 N/A LYS 19.A NZ SER 98.A O.B no hydrogen 2.912 N/A LYS 19.A NZ SER 98.A OG.A no hydrogen 2.627 N/A LYS 19.A NZ GLU 99.A OE2 no hydrogen 2.983 N/A HIS 20.A N TYR 25.A OH no hydrogen 2.959 N/A HIS 20.A NE2 SER 98.A O.A no hydrogen 3.170 N/A HIS 20.A NE2 SER 98.A O.B no hydrogen 3.143 N/A GLN 21.A NE2 LYS 19.A O no hydrogen 3.278 N/A LEU 23.A N HIS 20.A O no hydrogen 3.069 N/A LYS 24.A NZ GLU 2.A OE2 no hydrogen 2.516 N/A ILE 26.A N ILE 128.A O no hydrogen 2.925 N/A SER 27.A OG THR 30.A OG1 no hydrogen 3.350 N/A THR 30.A N SER 27.A OG no hydrogen 3.271 N/A THR 30.A OG1 SER 27.A OG no hydrogen 3.350 N/A MET 31.A N SER 27.A O no hydrogen 3.007 N/A VAL 32.A N PRO 28.A O no hydrogen 2.900 N/A ALA 33.A N GLU 29.A O no hydrogen 2.894 N/A LEU 34.A N THR 30.A O no hydrogen 3.104 N/A LEU 35.A N MET 31.A O no hydrogen 3.041 N/A THR 36.A N VAL 32.A O no hydrogen 2.773 N/A THR 36.A OG1 VAL 32.A O no hydrogen 2.849 N/A THR 36.A OG1 ALA 33.A O no hydrogen 3.284 N/A GLY 37.A N LEU 34.A O no hydrogen 3.073 N/A LYS 38.A N ALA 33.A O no hydrogen 2.924 N/A SER 40.A N GLY 37.A O no hydrogen 3.079 N/A SER 40.A OG GLY 37.A O no hydrogen 3.080 N/A ILE 42.A N PHE 39.A O no hydrogen 2.983 N/A VAL 43.A N PHE 39.A O no hydrogen 2.732 N/A ASP 44.A N ARG 87.A O no hydrogen 2.828 N/A LYS 45.A N ARG 87.A O no hydrogen 3.476 N/A VAL 47.A N ILE 89.A O no hydrogen 2.986 N/A VAL 49.A N ILE 91.A O.A no hydrogen 2.736 N/A VAL 49.A N ILE 91.A O.B no hydrogen 2.740 N/A ASP 50.A N VAL 66.A O.A no hydrogen 2.876 N/A ASP 50.A N VAL 66.A O.B no hydrogen 2.895 N/A CYS 51.A N HIS 93.A O no hydrogen 2.845 N/A CYS 51.A SG VAL 49.A O no hydrogen 3.654 N/A ARG 52.A N ASP 50.A OD1 no hydrogen 3.004 N/A ARG 52.A NE ASP 50.A OD1 no hydrogen 3.002 N/A ARG 52.A NE ASP 50.A OD2 no hydrogen 3.300 N/A ARG 52.A NH2 ASP 50.A OD2 no hydrogen 2.831 N/A ARG 52.A NH2 GLY 60.A O no hydrogen 2.870 N/A TYR 53.A N GLU 56.A OE2 no hydrogen 2.946 N/A TYR 55.A OH MET 152.A O no hydrogen 2.658 N/A GLU 56.A N TYR 53.A O no hydrogen 2.953 N/A TYR 57.A N TYR 53.A O no hydrogen 3.115 N/A TYR 57.A OH ALA 65.A O no hydrogen 2.685 N/A GLU 58.A N PRO 54.A O no hydrogen 2.802 N/A GLY 59.A N TYR 55.A O no hydrogen 3.105 N/A GLY 59.A N GLU 56.A O no hydrogen 3.068 N/A GLY 60.A N TYR 57.A O no hydrogen 3.085 N/A HIS 61.A N GLU 145.A O no hydrogen 3.210 N/A HIS 61.A ND1 TYR 57.A O no hydrogen 2.890 N/A LYS 63.A N PHE 143.A O no hydrogen 2.832 N/A THR 64.A OG1 LYS 63.A O no hydrogen 2.443 N/A ALA 65.A N ILE 62.A O no hydrogen 2.973 N/A VAL 66.A N.A ILE 48.A O no hydrogen 2.873 N/A VAL 66.A N.B ILE 48.A O no hydrogen 2.884 N/A ASN 67.A ND2 ASP 50.A O no hydrogen 2.950 N/A ASN 67.A ND2 ARG 52.A O no hydrogen 2.950 N/A LEU 68.A N ASP 50.A O no hydrogen 3.104 N/A ARG 72.A NH1 LYS 167.A O no hydrogen 2.932 N/A ARG 72.A NH2 LYS 167.A O no hydrogen 2.891 N/A ASP 73.A N LEU 70.A O no hydrogen 2.969 N/A ALA 74.A N LEU 70.A O no hydrogen 2.994 N/A GLU 75.A N GLU 71.A O no hydrogen 2.888 N/A SER 76.A N.A ARG 72.A O no hydrogen 3.107 N/A SER 76.A N.B ARG 72.A O no hydrogen 3.139 N/A SER 76.A OG.B ARG 72.A O no hydrogen 3.485 N/A SER 76.A OG.B ASP 73.A O no hydrogen 2.874 N/A PHE 77.A N ASP 73.A O no hydrogen 2.973 N/A LEU 78.A N ALA 74.A O no hydrogen 2.969 N/A LEU 79.A N GLU 75.A O no hydrogen 2.711 N/A LYS 80.A N SER 76.A O.A no hydrogen 3.283 N/A ILE 83.A N TYR 123.A OH no hydrogen 2.927 N/A LYS 86.A NZ SER 40.A O no hydrogen 3.310 N/A ARG 87.A N ILE 42.A O no hydrogen 2.780 N/A ARG 87.A NH1 ALA 10.A O no hydrogen 2.804 N/A ARG 87.A NH1 GLU 125.A OE1 no hydrogen 2.800 N/A ARG 87.A NH2 ALA 10.A O no hydrogen 2.931 N/A ILE 89.A N LYS 45.A O no hydrogen 3.066 N/A LEU 90.A N GLU 125.A O no hydrogen 3.160 N/A ILE 91.A N.A VAL 47.A O no hydrogen 2.884 N/A ILE 91.A N.B VAL 47.A O no hydrogen 2.885 N/A PHE 92.A N TYR 127.A O no hydrogen 2.793 N/A HIS 93.A N VAL 49.A O no hydrogen 3.071 N/A HIS 93.A ND1 SER 94.A O no hydrogen 2.931 N/A SER 94.A N SER 97.A OG no hydrogen 3.231 N/A SER 97.A OG LEU 129.A O no hydrogen 2.766 N/A ARG 100.A NH1 GLU 56.A OE2 no hydrogen 2.703 N/A ARG 100.A NH2 GLU 56.A OE1 no hydrogen 3.023 N/A ARG 100.A NH2 GLU 56.A OE2 no hydrogen 3.565 N/A GLY 101.A N SER 94.A OG no hydrogen 2.978 N/A ARG 103.A N GLU 99.A O no hydrogen 2.928 N/A MET 104.A N ARG 100.A O no hydrogen 3.096 N/A CYS 105.A N GLY 101.A O no hydrogen 3.030 N/A ARG 106.A N.A PRO 102.A O no hydrogen 3.009 N/A ARG 106.A N.B PRO 102.A O no hydrogen 3.016 N/A ARG 106.A NH1.B ASP 22.A OD1 no hydrogen 3.210 N/A ARG 106.A NH1.B ASP 22.A OD2 no hydrogen 2.428 N/A ARG 106.A NH2.A HIS 20.A ND1 no hydrogen 2.718 N/A ARG 106.A NH2.A ASP 22.A OD1 no hydrogen 3.295 N/A ARG 106.A NH2.B HIS 20.A ND1 no hydrogen 3.427 N/A ARG 106.A NH2.B ASP 22.A OD1 no hydrogen 2.575 N/A PHE 107.A N ARG 103.A O no hydrogen 2.948 N/A ILE 108.A N MET 104.A O no hydrogen 2.924 N/A ARG 109.A N CYS 105.A O no hydrogen 3.246 N/A ARG 109.A NH2 TYR 123.A O no hydrogen 2.981 N/A GLU 110.A N ARG 106.A O.A no hydrogen 2.992 N/A GLU 110.A N ARG 106.A O.B no hydrogen 2.978 N/A ARG 111.A N PHE 107.A O no hydrogen 3.000 N/A ARG 111.A NE GLU 75.A OE2 no hydrogen 3.124 N/A ARG 111.A NH2 GLU 75.A OE2 no hydrogen 3.415 N/A ASP 112.A N ILE 108.A O no hydrogen 2.780 N/A ARG 113.A N ARG 109.A O no hydrogen 2.881 N/A ARG 113.A NH1 GLY 5.A O no hydrogen 3.301 N/A ARG 113.A NH1 PRO 119.A O no hydrogen 3.024 N/A ARG 113.A NH2 GLY 5.A O no hydrogen 2.906 N/A ALA 114.A N GLU 110.A O no hydrogen 3.067 N/A VAL 115.A N ARG 111.A O no hydrogen 3.081 N/A ASN 116.A N ARG 113.A O no hydrogen 3.271 N/A ASN 116.A ND2 ASP 112.A O no hydrogen 2.877 N/A TYR 118.A OH TYR 7.A OH no hydrogen 3.069 N/A SER 120.A N ASP 117.A O no hydrogen 2.999 N/A TYR 122.A N ASP 112.A OD1 no hydrogen 2.872 N/A TYR 123.A N ASP 112.A OD2 no hydrogen 2.842 N/A TYR 123.A OH LEU 78.A O no hydrogen 2.648 N/A TYR 127.A N LEU 90.A O no hydrogen 2.908 N/A TYR 127.A OH GLU 125.A OE2 no hydrogen 2.609 N/A ILE 128.A N LYS 24.A O no hydrogen 2.804 N/A LEU 129.A N PHE 92.A O no hydrogen 2.916 N/A LYS 130.A N ILE 26.A O no hydrogen 2.846 N/A LYS 130.A NZ ASP 17.A O no hydrogen 2.826 N/A GLY 132.A N LEU 129.A O no hydrogen 3.044 N/A TYR 133.A N SER 94.A O no hydrogen 2.991 N/A TYR 133.A OH ASP 148.A O no hydrogen 2.803 N/A LYS 134.A N GLU 95.A O no hydrogen 2.936 N/A GLU 135.A N GLY 131.A O no hydrogen 3.269 N/A GLU 135.A N GLY 132.A O no hydrogen 3.276 N/A PHE 136.A N GLY 132.A O no hydrogen 3.098 N/A PHE 137.A N TYR 133.A O no hydrogen 3.006 N/A GLN 139.A N PHE 136.A O no hydrogen 2.974 N/A HIS 140.A N PHE 136.A O no hydrogen 2.906 N/A PHE 143.A N HIS 140.A O no hydrogen 3.018 N/A CYS 144.A N PRO 141.A O no hydrogen 3.062 N/A CYS 144.A SG HIS 140.A O no hydrogen 3.535 N/A GLU 145.A N HIS 61.A O no hydrogen 2.770 N/A ASP 148.A N PRO 146.A O no hydrogen 2.865 N/A TYR 149.A N ASP 148.A OD1 no hydrogen 2.724 N/A TYR 149.A OH GLU 95.A OE2 no hydrogen 2.518 N/A ARG 150.A NH1 TYR 55.A O no hydrogen 2.840 N/A MET 152.A N GLU 95.A OE1 no hydrogen 3.105 N/A HIS 154.A N PRO 151.A O no hydrogen 3.100 N/A ALA 156.A N HIS 154.A ND1 no hydrogen 2.981 N/A PHE 157.A N HIS 154.A O no hydrogen 2.988 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.723 N/A LEU 161.A N PHE 157.A O no hydrogen 3.011 N/A LYS 162.A N LYS 158.A O no hydrogen 3.338 N/A THR 163.A N ASP 159.A O no hydrogen 2.912 N/A THR 163.A OG1 ASP 159.A O no hydrogen 3.042 N/A PHE 164.A N GLU 160.A O no hydrogen 3.039 N/A ARG 165.A N LEU 161.A O no hydrogen 3.044 N/A ARG 165.A NE TYR 53.A OH no hydrogen 2.921 N/A ARG 165.A NH2 TYR 53.A OH no hydrogen 3.465 N/A LEU 166.A N LYS 162.A O no hydrogen 3.219 N/A LYS 167.A N PHE 164.A O no hydrogen 2.858 N/A THR 168.A N ARG 165.A O no hydrogen 3.063 N/A THR 168.A OG1 ARG 165.A O no hydrogen 2.759 N/A THR 168.A OG1 SER 170.A O no hydrogen 3.531 N/A SER 170.A OG TRP 171.A OXT no hydrogen 3.558 N/A