Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3psq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 104.A OE1 no hydrogen 2.304 N/A GLN 5.A N LYS 1.A O no hydrogen 3.314 N/A PHE 6.A N LYS 2.A O no hydrogen 3.037 N/A LEU 9.A N GLN 5.A O no hydrogen 2.814 N/A LEU 10.A N PHE 6.A O no hydrogen 2.888 N/A ALA 11.A N ASP 7.A O no hydrogen 2.961 N/A ILE 12.A N LEU 9.A O no hydrogen 2.970 N/A ASN 13.A N LEU 9.A O no hydrogen 2.982 N/A ASN 13.A ND2 TYR 40.A OH no hydrogen 3.100 N/A ASN 13.A ND2 VAL 45.A O no hydrogen 2.857 N/A ASP 15.A N ASN 13.A OD1 no hydrogen 3.037 N/A VAL 16.A N ASN 13.A O no hydrogen 2.843 N/A MET 17.A N ILE 31.A O no hydrogen 2.920 N/A ALA 18.A N ILE 31.A O no hydrogen 3.430 N/A TRP 19.A N GLU 104.A O no hydrogen 2.781 N/A TRP 19.A NE1 ASP 28.A OD1 no hydrogen 2.686 N/A LEU 20.A N TYR 29.A O no hydrogen 2.759 N/A THR 21.A N SER 102.A O no hydrogen 3.060 N/A THR 21.A OG1 ASP 28.A OD1 no hydrogen 3.056 N/A VAL 22.A N ILE 27.A O no hydrogen 2.871 N/A THR 25.A N VAL 22.A O no hydrogen 3.134 N/A THR 25.A OG1 VAL 22.A O no hydrogen 2.524 N/A HIS 26.A N GLU 85.A OE1 no hydrogen 2.897 N/A HIS 26.A N GLU 85.A OE2 no hydrogen 3.137 N/A HIS 26.A ND1 TYR 29.A OH no hydrogen 3.152 N/A ILE 27.A N THR 25.A OG1 no hydrogen 2.773 N/A TYR 29.A N LEU 20.A O no hydrogen 2.762 N/A TYR 29.A OH HIS 26.A ND1 no hydrogen 3.152 N/A TYR 29.A OH MET 82.A O no hydrogen 2.518 N/A ILE 31.A N ALA 18.A O no hydrogen 2.705 N/A VAL 32.A N VAL 55.A O no hydrogen 3.532 N/A GLN 33.A N ASP 15.A O no hydrogen 2.868 N/A GLN 33.A NE2 ASP 58.A O no hydrogen 2.875 N/A GLN 33.A NE2 ASN 61.A O no hydrogen 2.914 N/A GLU 35.A N GLU 39.A OE1 no hydrogen 2.775 N/A ASN 37.A ND2 ASP 58.A OD2 no hydrogen 2.995 N/A LEU 38.A N ASN 36.A OD1 no hydrogen 2.806 N/A GLU 39.A N ASN 36.A OD1 no hydrogen 2.795 N/A TYR 40.A OH ASP 15.A OD2 no hydrogen 2.657 N/A ILE 41.A N LEU 38.A O no hydrogen 3.036 N/A ASN 42.A ND2 SER 50.A O no hydrogen 3.029 N/A LYS 43.A NZ GLU 39.A OE2 no hydrogen 2.575 N/A SER 44.A N GLU 48.A O no hydrogen 2.792 N/A SER 44.A OG GLU 46.A OE1 no hydrogen 3.129 N/A SER 44.A OG GLU 48.A O no hydrogen 3.333 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.878 N/A GLY 47.A N SER 44.A O no hydrogen 2.761 N/A GLU 48.A N SER 44.A OG no hydrogen 3.151 N/A SER 50.A N ASN 42.A O no hydrogen 2.907 N/A SER 52.A N SER 50.A OG no hydrogen 2.901 N/A GLY 53.A N SER 50.A OG no hydrogen 2.802 N/A SER 54.A N TYR 40.A O no hydrogen 2.994 N/A SER 54.A OG LYS 43.A O no hydrogen 2.781 N/A PHE 56.A N TYR 73.A O no hydrogen 2.864 N/A LEU 57.A N VAL 32.A O no hydrogen 2.771 N/A ASP 58.A N LEU 71.A O no hydrogen 2.707 N/A TYR 59.A N ASN 37.A OD1 no hydrogen 2.952 N/A ARG 60.A N ASP 58.A OD1 no hydrogen 2.703 N/A ARG 60.A NE ASP 58.A OD1 no hydrogen 2.948 N/A ARG 60.A NH2 ASP 58.A OD2 no hydrogen 2.765 N/A ASN 61.A N ASP 58.A O no hydrogen 3.040 N/A ASN 61.A ND2 ASP 67.A OD2 no hydrogen 2.961 N/A ASN 61.A ND2 TYR 69.A O no hydrogen 2.792 N/A LYS 62.A N ASP 67.A OD2 no hydrogen 2.871 N/A THR 64.A OG1 GLU 66.A OE2.A no hydrogen 2.655 N/A PHE 65.A N LYS 62.A O no hydrogen 3.140 N/A TYR 69.A OH LEU 128.A O no hydrogen 2.663 N/A SER 70.A N PHE 164.A O no hydrogen 3.023 N/A LEU 71.A N ASN 61.A OD1 no hydrogen 3.080 N/A ILE 72.A N ALA 166.A O no hydrogen 2.798 N/A TYR 73.A N PHE 56.A O no hydrogen 2.906 N/A ALA 74.A N SER 168.A O no hydrogen 2.985 N/A HIS 75.A NE2 ASN 37.A O no hydrogen 2.681 N/A GLY 79.A N HIS 75.A O no hydrogen 2.730 N/A ASN 80.A N HIS 76.A O no hydrogen 3.064 N/A ASN 80.A ND2 HIS 76.A O no hydrogen 3.052 N/A ASN 80.A ND2 ASP 172.A OD2 no hydrogen 3.066 N/A VAL 81.A N MET 77.A O no hydrogen 2.810 N/A MET 82.A N ALA 78.A O no hydrogen 2.746 N/A PHE 83.A N GLY 79.A O no hydrogen 2.829 N/A LEU 86.A N PHE 83.A O no hydrogen 3.303 N/A ASN 88.A N GLU 85.A O no hydrogen 2.814 N/A PHE 89.A N LEU 86.A O no hydrogen 2.957 N/A ARG 90.A N PRO 87.A O no hydrogen 3.081 N/A ARG 90.A NH2 GLN 120.A OE1.B no hydrogen 2.710 N/A LYS 91.A N ASN 88.A O no hydrogen 2.997 N/A PHE 95.A N LYS 91.A O no hydrogen 2.757 N/A ASN 96.A N LYS 92.A O no hydrogen 2.837 N/A LYS 97.A N SER 93.A O no hydrogen 3.021 N/A LYS 97.A N PHE 94.A O no hydrogen 3.154 N/A HIS 98.A N PHE 94.A O no hydrogen 3.079 N/A PHE 101.A N ILE 113.A O no hydrogen 3.054 N/A SER 102.A N THR 21.A O no hydrogen 2.977 N/A ILE 103.A N LEU 111.A O no hydrogen 3.025 N/A GLU 104.A N TRP 19.A O no hydrogen 2.880 N/A THR 105.A N GLN 109.A O no hydrogen 2.884 N/A THR 105.A OG1 THR 107.A OG1 no hydrogen 3.127 N/A THR 107.A N THR 105.A OG1 no hydrogen 3.325 N/A THR 107.A OG1 THR 105.A OG1 no hydrogen 3.127 N/A LYS 108.A N THR 105.A O no hydrogen 2.966 N/A LYS 108.A NZ ASP 7.A OD1 no hydrogen 2.804 N/A GLN 109.A N THR 105.A OG1 no hydrogen 3.289 N/A LEU 111.A N ILE 103.A O no hydrogen 2.785 N/A ILE 113.A N PHE 101.A O no hydrogen 2.737 N/A ASN 114.A N GLN 184.A O no hydrogen 2.708 N/A ASN 114.A ND2 GLN 184.A O no hydrogen 3.593 N/A ASN 114.A ND2 GLU 186.A OE1 no hydrogen 2.618 N/A ILE 115.A N LYS 99.A O no hydrogen 2.773 N/A PHE 116.A N ILE 182.A O no hydrogen 2.977 N/A ALA 117.A N ILE 182.A O no hydrogen 3.377 N/A CYS 118.A N GLN 152.A O no hydrogen 2.960 N/A ILE 119.A N ILE 180.A O no hydrogen 2.657 N/A GLN 120.A N LYS 149.A O no hydrogen 2.844 N/A THR 121.A N ARG 178.A O no hydrogen 3.019 N/A THR 121.A OG1 ASP 125.A OD2 no hydrogen 2.629 N/A ASP 122.A N THR 121.A OG1 no hydrogen 2.783 N/A ALA 123.A N ASP 176.A O no hydrogen 2.791 N/A PHE 124.A N ASP 122.A OD1 no hydrogen 2.770 N/A ASP 125.A N ASP 122.A O no hydrogen 3.051 N/A LEU 127.A N ASP 125.A OD1 no hydrogen 2.890 N/A LEU 128.A N ASP 125.A OD1 no hydrogen 3.016 N/A ASN 130.A N LEU 127.A O no hydrogen 3.424 N/A ILE 132.A N ASN 130.A OD1 no hydrogen 2.856 N/A ASP 133.A N ASN 130.A OD1 no hydrogen 3.215 N/A VAL 134.A N ASN 130.A O no hydrogen 3.029 N/A ASP 135.A N PRO 131.A O no hydrogen 3.003 N/A ILE 136.A N ILE 132.A O no hydrogen 3.199 N/A SER 137.A N VAL 134.A O no hydrogen 3.049 N/A SER 137.A OG VAL 134.A O no hydrogen 2.833 N/A GLU 141.A N SER 138.A OG no hydrogen 3.363 N/A PHE 142.A N SER 138.A O no hydrogen 3.104 N/A LEU 143.A N LYS 139.A O no hydrogen 2.924 N/A ASN 144.A N ASN 140.A O no hydrogen 3.074 N/A HIS 145.A N GLU 141.A O no hydrogen 2.868 N/A HIS 145.A NE2 ASP 125.A OD1 no hydrogen 2.851 N/A HIS 145.A NE2 ASP 125.A OD2 no hydrogen 3.223 N/A ILE 146.A N PHE 142.A O no hydrogen 3.096 N/A LYS 147.A N LEU 143.A O no hydrogen 2.845 N/A GLN 148.A N ASN 144.A O no hydrogen 3.202 N/A LYS 149.A N ILE 146.A O no hydrogen 2.860 N/A SER 150.A N LYS 147.A O no hydrogen 3.312 N/A SER 150.A OG ILE 146.A O no hydrogen 2.926 N/A VAL 151.A N CYS 118.A O no hydrogen 2.764 N/A GLN 152.A N CYS 118.A O no hydrogen 3.439 N/A GLN 152.A NE2 ARG 90.A O no hydrogen 2.723 N/A ARG 154.A N PHE 116.A O no hydrogen 2.891 N/A ARG 154.A NH1 PHE 95.A O no hydrogen 2.827 N/A ARG 154.A NH2 ILE 115.A O no hydrogen 2.764 N/A THR 158.A OG1 THR 159.A O no hydrogen 3.088 N/A THR 158.A OG1 SER 162.A OG no hydrogen 3.075 N/A THR 158.A OG1 GLN 184.A OE1 no hydrogen 3.066 N/A THR 159.A N SER 162.A OG no hydrogen 2.889 N/A THR 159.A OG1 GLU 161.A OE1.B no hydrogen 3.509 N/A GLU 161.A N THR 159.A OG1 no hydrogen 2.971 N/A SER 162.A N THR 159.A O no hydrogen 3.267 N/A SER 162.A OG THR 158.A OG1 no hydrogen 3.075 N/A SER 162.A OG THR 159.A O no hydrogen 3.256 N/A ARG 163.A NH1 PHE 65.A O no hydrogen 2.676 N/A PHE 164.A N LYS 68.A O no hydrogen 2.677 N/A VAL 165.A N GLY 183.A O no hydrogen 2.982 N/A ALA 166.A N SER 70.A O no hydrogen 2.833 N/A LEU 167.A N VAL 181.A O no hydrogen 2.839 N/A SER 168.A N ILE 72.A O no hydrogen 2.894 N/A SER 168.A OG ILE 179.A O no hydrogen 2.748 N/A THR 169.A N ILE 179.A O no hydrogen 3.299 N/A THR 169.A OG1 ALA 74.A O no hydrogen 2.795 N/A CYS 170.A N THR 169.A OG1 no hydrogen 2.723 N/A CYS 170.A SG HIS 76.A ND1 no hydrogen 3.794 N/A CYS 170.A SG ASP 172.A OD1 no hydrogen 3.442 N/A CYS 170.A SG ASP 172.A OD2 no hydrogen 3.879 N/A GLU 171.A N GLY 177.A O no hydrogen 2.861 N/A THR 174.A N GLU 171.A O no hydrogen 3.195 N/A GLY 177.A N THR 174.A O no hydrogen 3.063 N/A ARG 178.A N THR 121.A O no hydrogen 2.730 N/A ARG 178.A NH1 GLY 177.A O no hydrogen 2.939 N/A ILE 179.A N THR 169.A O no hydrogen 2.962 N/A ILE 180.A N ILE 119.A O no hydrogen 3.066 N/A VAL 181.A N LEU 167.A O no hydrogen 2.893 N/A ILE 182.A N ALA 117.A O no hydrogen 3.052 N/A GLY 183.A N VAL 165.A O no hydrogen 2.835 N/A GLN 184.A N ASN 114.A O no hydrogen 2.684 N/A GLN 184.A NE2 LEU 157.A O no hydrogen 2.876 N/A ILE 185.A N ARG 163.A O no hydrogen 2.738 N/A GLU 186.A N LYS 112.A O no hydrogen 2.619 N/A