Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8irq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 GLN 86.A OE1 no hydrogen 2.862 N/A ASP 6.A N CYS 2.A O no hydrogen 3.023 N/A HIS 7.A N ARG 3.A O no hydrogen 2.759 N/A LYS 8.A N TRP 4.A O no hydrogen 2.911 N/A PHE 9.A N TRP 4.A O no hydrogen 2.857 N/A HIS 12.A N LYS 8.A O no hydrogen 3.131 N/A HIS 12.A ND1 LYS 8.A O no hydrogen 3.216 N/A HIS 12.A NE2 GLN 85.A OE1 no hydrogen 2.827 N/A SER 13.A N.A PHE 9.A O no hydrogen 2.830 N/A SER 13.A N.B PHE 9.A O no hydrogen 2.803 N/A SER 13.A OG.A PHE 9.A O no hydrogen 3.326 N/A SER 13.A OG.A ASP 143.A OD1 no hydrogen 3.019 N/A SER 13.A OG.B ASP 143.A OD1 no hydrogen 2.994 N/A GLU 14.A N ARG 10.A O no hydrogen 2.929 N/A THR 15.A N GLN 11.A O no hydrogen 3.015 N/A THR 15.A OG1 GLN 11.A O no hydrogen 3.092 N/A SER 16.A N HIS 12.A O no hydrogen 2.927 N/A SER 16.A OG HIS 12.A O no hydrogen 3.372 N/A SER 16.A OG SER 13.A O.A no hydrogen 2.767 N/A SER 16.A OG SER 13.A O.B no hydrogen 2.820 N/A LEU 17.A N SER 13.A O.A no hydrogen 2.851 N/A LEU 17.A N SER 13.A O.B no hydrogen 3.006 N/A ASP 18.A N GLU 14.A O no hydrogen 2.892 N/A LEU 19.A N THR 15.A O no hydrogen 3.008 N/A LEU 20.A N SER 16.A O no hydrogen 3.034 N/A ASN 21.A N LEU 17.A O no hydrogen 2.981 N/A THR 22.A N ASP 18.A O no hydrogen 2.984 N/A THR 22.A OG1 ASP 18.A O no hydrogen 3.317 N/A MET 23.A N LEU 19.A O no hydrogen 3.012 N/A ALA 24.A N LEU 20.A O no hydrogen 2.826 N/A ASN 25.A N ASN 21.A O no hydrogen 2.984 N/A ASN 26.A N MET 23.A O no hydrogen 3.101 N/A ASN 26.A ND2 MET 23.A O no hydrogen 3.504 N/A SER 27.A N.A ALA 24.A O no hydrogen 3.073 N/A SER 27.A N.B ALA 24.A O no hydrogen 3.225 N/A SER 27.A OG.A ALA 24.A O no hydrogen 2.879 N/A ASN 33.A N PHE 31.A O no hydrogen 2.811 N/A LEU 35.A N PRO 32.A O no hydrogen 3.130 N/A TYR 36.A N PRO 32.A O no hydrogen 3.244 N/A TYR 36.A OH HIS 138.A ND1 no hydrogen 2.713 N/A SER 37.A N ASN 33.A O no hydrogen 2.741 N/A GLN 38.A N ASP 34.A O no hydrogen 3.032 N/A ALA 39.A N LEU 35.A O no hydrogen 3.033 N/A SER 40.A N TYR 36.A O no hydrogen 2.802 N/A LYS 41.A N SER 37.A O no hydrogen 3.370 N/A LYS 41.A N GLN 38.A O no hydrogen 3.281 N/A ALA 42.A N ALA 39.A O no hydrogen 3.101 N/A GLU 45.A N GLU 45.A OE1 no hydrogen 2.763 N/A ASP 46.A N SER 43.A OG no hydrogen 3.084 N/A LYS 47.A N SER 43.A O no hydrogen 2.784 N/A LYS 47.A NZ SER 148.A OG no hydrogen 2.774 N/A LEU 48.A N ALA 44.A O no hydrogen 2.924 N/A HIS 49.A N GLU 45.A O no hydrogen 2.968 N/A HIS 49.A NE2 LYS 101.A O no hydrogen 2.735 N/A PHE 50.A N ASP 46.A O no hydrogen 3.016 N/A THR 51.A N LYS 47.A O no hydrogen 3.045 N/A THR 51.A OG1 LYS 47.A O no hydrogen 2.837 N/A VAL 52.A N LEU 48.A O no hydrogen 2.870 N/A GLN 53.A N HIS 49.A O no hydrogen 3.208 N/A GLN 53.A NE2 GLU 57.A OE1 no hydrogen 3.094 N/A GLN 53.A NE2 ASN 103.A O no hydrogen 3.004 N/A VAL 54.A N PHE 50.A O no hydrogen 2.978 N/A LEU 55.A N THR 51.A O no hydrogen 3.046 N/A GLU 56.A N VAL 52.A O no hydrogen 2.937 N/A GLU 57.A N GLN 53.A O no hydrogen 2.787 N/A ALA 58.A N VAL 54.A O no hydrogen 2.917 N/A ALA 59.A N LEU 55.A O no hydrogen 2.966 N/A ALA 60.A N GLU 56.A O no hydrogen 2.946 N/A LEU 61.A N GLU 57.A O no hydrogen 3.242 N/A LEU 61.A N ALA 58.A O no hydrogen 3.168 N/A PHE 62.A N ALA 59.A O no hydrogen 3.094 N/A GLU 63.A N ALA 60.A O no hydrogen 3.028 N/A GLU 64.A N LEU 61.A O no hydrogen 2.955 N/A HIS 66.A ND1 GLU 64.A O no hydrogen 2.814 N/A SER 67.A N ASP 65.A OD1 no hydrogen 2.937 N/A SER 67.A OG ASP 65.A OD1 no hydrogen 2.671 N/A SER 67.A OG ASP 65.A OD2 no hydrogen 3.428 N/A ASN 68.A ND2 HIS 123.A O no hydrogen 3.170 N/A ALA 69.A N HIS 66.A O no hydrogen 3.038 N/A VAL 76.A N GLU 72.A O no hydrogen 3.252 N/A GLU 77.A N GLU 73.A O no hydrogen 2.836 N/A ASN 78.A N ASN 74.A O no hydrogen 3.007 N/A PHE 79.A N THR 75.A O no hydrogen 2.852 N/A VAL 80.A N VAL 76.A O no hydrogen 2.865 N/A ASN 81.A N GLU 77.A O no hydrogen 2.940 N/A ASN 81.A ND2 GLU 77.A OE2 no hydrogen 2.837 N/A VAL 82.A N ASN 78.A O no hydrogen 2.987 N/A VAL 83.A N PHE 79.A O no hydrogen 3.022 N/A ASN 84.A N VAL 80.A O no hydrogen 2.846 N/A GLN 85.A N ASN 81.A O no hydrogen 2.899 N/A GLN 86.A N VAL 82.A O no hydrogen 2.878 N/A GLN 86.A NE2 PHE 9.A O no hydrogen 3.050 N/A ALA 87.A N VAL 83.A O no hydrogen 2.927 N/A ASP 88.A N ASN 84.A O no hydrogen 2.994 N/A GLY 89.A N GLN 85.A O no hydrogen 2.800 N/A LEU 90.A N GLN 86.A O no hydrogen 2.969 N/A ARG 91.A N ALA 87.A O no hydrogen 2.942 N/A ARG 91.A NE GLU 56.A OE2 no hydrogen 2.781 N/A ARG 91.A NH2 GLU 56.A OE1 no hydrogen 2.913 N/A ARG 91.A NH2 GLU 56.A OE2 no hydrogen 3.349 N/A SER 92.A N ASP 88.A O no hydrogen 3.148 N/A SER 92.A N GLY 89.A O no hydrogen 3.200 N/A SER 92.A OG GLY 89.A O no hydrogen 2.368 N/A CYS 93.A N LEU 90.A O no hydrogen 3.118 N/A CYS 93.A SG LEU 90.A O no hydrogen 3.465 N/A THR 94.A N ARG 91.A O no hydrogen 3.373 N/A THR 94.A OG1 ARG 91.A O no hydrogen 3.429 N/A ASN 103.A N GLN 53.A OE1 no hydrogen 2.720 N/A LEU 106.A N ASN 103.A OD1 no hydrogen 2.956 N/A HIS 107.A N ASN 103.A O no hydrogen 3.020 N/A HIS 107.A ND1 GLU 57.A OE1 no hydrogen 3.110 N/A MET 108.A N LYS 104.A O no hydrogen 2.858 N/A TYR 109.A N LYS 105.A O no hydrogen 2.943 N/A TYR 109.A OH HIS 138.A NE2 no hydrogen 2.741 N/A PHE 110.A N LEU 106.A O no hydrogen 3.067 N/A LYS 111.A N HIS 107.A O no hydrogen 2.965 N/A ARG 112.A N MET 108.A O no hydrogen 2.908 N/A LEU 113.A N TYR 109.A O no hydrogen 3.045 N/A SER 114.A N PHE 110.A O no hydrogen 3.124 N/A SER 114.A OG GLU 64.A OE2 no hydrogen 2.702 N/A SER 114.A OG PHE 110.A O no hydrogen 3.372 N/A SER 115.A N LYS 111.A O no hydrogen 2.905 N/A SER 115.A OG LYS 111.A O no hydrogen 3.239 N/A SER 115.A OG ARG 112.A O no hydrogen 3.542 N/A HIS 116.A N ARG 112.A O no hydrogen 2.772 N/A VAL 117.A N LEU 113.A O no hydrogen 3.162 N/A LEU 118.A N LEU 113.A O no hydrogen 3.136 N/A LYS 119.A N SER 114.A O no hydrogen 2.815 N/A LYS 120.A N SER 115.A O no hydrogen 3.207 N/A MET 121.A N VAL 117.A O no hydrogen 3.153 N/A SER 122.A N LYS 119.A O no hydrogen 3.137 N/A HIS 123.A N LEU 118.A O no hydrogen 2.806 N/A HIS 123.A NE2 GLU 64.A OE1 no hydrogen 2.934 N/A SER 124.A N MET 121.A O no hydrogen 3.280 N/A SER 124.A OG MET 121.A O no hydrogen 3.485 N/A SER 124.A OG GLU 126.A OE1 no hydrogen 3.477 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.689 N/A ALA 127.A N SER 124.A OG no hydrogen 3.026 N/A TRP 128.A N SER 124.A O no hydrogen 2.949 N/A TRP 128.A NE1 ASP 65.A O no hydrogen 2.820 N/A GLU 129.A N ALA 125.A O no hydrogen 2.923 N/A LEU 130.A N GLU 126.A O no hydrogen 3.133 N/A ILE 131.A N ALA 127.A O no hydrogen 3.082 N/A ARG 132.A N TRP 128.A O no hydrogen 2.841 N/A ARG 132.A NE GLU 129.A OE1 no hydrogen 2.799 N/A ARG 132.A NH2 GLU 129.A OE2 no hydrogen 2.774 N/A LYS 133.A N GLU 129.A O no hydrogen 3.075 N/A GLU 134.A N LEU 130.A O no hydrogen 3.205 N/A ILE 135.A N ILE 131.A O no hydrogen 2.808 N/A ARG 136.A N ARG 132.A O no hydrogen 2.931 N/A THR 137.A N LYS 133.A O no hydrogen 3.189 N/A THR 137.A OG1 LYS 133.A O no hydrogen 3.201 N/A HIS 138.A N GLU 134.A O no hydrogen 2.997 N/A HIS 138.A ND1 TYR 36.A OH no hydrogen 2.713 N/A HIS 138.A NE2 TYR 109.A OH no hydrogen 2.741 N/A LEU 139.A N ILE 135.A O no hydrogen 2.884 N/A MET 140.A N ARG 136.A O no hydrogen 2.967 N/A ARG 141.A N THR 137.A O no hydrogen 2.905 N/A ARG 141.A NH1 ASN 33.A OD1 no hydrogen 2.804 N/A ARG 141.A NH2 ASN 33.A OD1 no hydrogen 3.250 N/A ALA 142.A N HIS 138.A O no hydrogen 2.786 N/A ASP 143.A N LEU 139.A O no hydrogen 3.002 N/A GLN 144.A N MET 140.A O no hydrogen 3.072 N/A LEU 145.A N ARG 141.A O no hydrogen 3.034 N/A VAL 146.A N ALA 142.A O no hydrogen 2.942 N/A SER 147.A N ASP 143.A O no hydrogen 2.818 N/A SER 147.A OG ASP 143.A O no hydrogen 2.826 N/A SER 147.A OG ASP 143.A OD2 no hydrogen 3.295 N/A SER 148.A N GLN 144.A O no hydrogen 3.305 N/A SER 148.A N LEU 145.A O no hydrogen 3.245 N/A SER 148.A OG LEU 145.A O no hydrogen 2.643 N/A LEU 149.A N VAL 146.A O no hydrogen 2.899 N/A ARG 150.A N SER 147.A O no hydrogen 3.186 N/A