Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q1l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 SER 46.A O no hydrogen 2.772 N/A ARG 6.A N ASN 48.A O no hydrogen 2.966 N/A ARG 6.A NH1 SER 4.A OG no hydrogen 2.723 N/A ARG 6.A NH1 PRO 5.A O no hydrogen 2.942 N/A TYR 7.A N ILE 198.A O no hydrogen 2.798 N/A ILE 8.A N ASP 50.A O no hydrogen 2.705 N/A GLU 9.A N ASP 93.A OD2 no hydrogen 2.764 N/A LEU 10.A N SER 52.A O no hydrogen 2.759 N/A VAL 11.A N HIS 94.A O no hydrogen 2.957 N/A VAL 12.A N ASN 55.A O no hydrogen 3.106 N/A VAL 13.A N GLN 96.A O no hydrogen 2.627 N/A ALA 14.A N GLU 57.A O no hydrogen 2.769 N/A ASP 15.A N LEU 98.A O no hydrogen 3.024 N/A HIS 16.A N ASP 63.A OD1 no hydrogen 2.669 N/A MET 18.A N ASP 15.A OD1 no hydrogen 2.787 N/A PHE 19.A N ASP 15.A O no hydrogen 2.971 N/A LYS 20.A N HIS 16.A O no hydrogen 2.933 N/A LYS 21.A N GLY 17.A O no hydrogen 2.830 N/A LYS 21.A NZ ASP 128.A OD2 no hydrogen 2.814 N/A TYR 22.A N MET 18.A O no hydrogen 3.028 N/A TYR 22.A OH ASP 128.A OD2 no hydrogen 2.412 N/A SER 24.A N PHE 19.A O no hydrogen 2.730 N/A ASN 25.A N TYR 22.A O no hydrogen 3.009 N/A ASN 27.A N ASN 25.A OD1 no hydrogen 2.891 N/A THR 28.A N ASN 25.A OD1 no hydrogen 3.126 N/A ILE 29.A N ASN 25.A O no hydrogen 3.124 N/A ARG 30.A N LEU 26.A O no hydrogen 2.960 N/A LYS 31.A N ASN 27.A O no hydrogen 2.889 N/A TRP 32.A N THR 28.A O no hydrogen 2.990 N/A TRP 32.A NE1 ASP 128.A OD1 no hydrogen 2.727 N/A VAL 33.A N ILE 29.A O no hydrogen 2.774 N/A HIS 34.A N ARG 30.A O no hydrogen 2.752 N/A GLU 35.A N LYS 31.A O no hydrogen 2.870 N/A MET 36.A N TRP 32.A O no hydrogen 3.006 N/A LEU 37.A N VAL 33.A O no hydrogen 2.752 N/A ASN 38.A N HIS 34.A O no hydrogen 2.916 N/A ASN 38.A ND2.A HIS 34.A NE2.A no hydrogen 2.931 N/A THR 39.A N GLU 35.A O no hydrogen 3.063 N/A THR 39.A OG1 GLU 35.A O no hydrogen 3.217 N/A VAL 40.A N MET 36.A O no hydrogen 2.810 N/A ASN 41.A N LEU 37.A O no hydrogen 2.724 N/A ASN 41.A ND2 ALA 51.A O no hydrogen 2.830 N/A GLY 42.A N ASN 38.A O no hydrogen 2.931 N/A PHE 43.A N THR 39.A O no hydrogen 2.958 N/A PHE 44.A N VAL 40.A O no hydrogen 3.033 N/A PHE 44.A N ASN 41.A O no hydrogen 3.167 N/A ARG 45.A N GLY 42.A O no hydrogen 3.392 N/A SER 46.A OG GLN 183.A OE1 no hydrogen 2.881 N/A MET 47.A N PHE 44.A O no hydrogen 2.916 N/A ASN 48.A N ARG 45.A O no hydrogen 2.807 N/A ASN 48.A ND2 PHE 3.A O no hydrogen 2.871 N/A VAL 49.A N PHE 44.A O no hydrogen 3.286 N/A ASP 50.A N ARG 6.A O no hydrogen 3.022 N/A ALA 51.A N ASN 41.A OD1 no hydrogen 2.582 N/A SER 52.A N ILE 8.A O no hydrogen 2.786 N/A VAL 54.A N LEU 10.A O no hydrogen 2.598 N/A GLU 57.A N VAL 12.A O no hydrogen 2.819 N/A TRP 59.A N ALA 14.A O no hydrogen 2.883 N/A TRP 59.A NE1 GLU 57.A OE2 no hydrogen 3.214 N/A SER 60.A N VAL 58.A O no hydrogen 2.790 N/A GLU 68.A N THR 74.A OG1 no hydrogen 2.796 N/A SER 72.A OG.A ASP 70.A OD1 no hydrogen 2.695 N/A LYS 73.A N ASP 70.A OD1 no hydrogen 3.084 N/A THR 74.A N ASP 70.A O no hydrogen 3.014 N/A THR 74.A OG1 GLU 68.A O no hydrogen 2.596 N/A THR 74.A OG1 ASP 70.A O no hydrogen 3.288 N/A LEU 75.A N SER 71.A O no hydrogen 2.825 N/A THR 76.A N SER 72.A O no hydrogen 2.908 N/A THR 76.A OG1 SER 72.A O no hydrogen 2.852 N/A SER 77.A N LYS 73.A O no hydrogen 2.773 N/A SER 77.A OG LYS 73.A O no hydrogen 3.320 N/A PHE 78.A N THR 74.A O no hydrogen 2.779 N/A GLY 79.A N LEU 75.A O no hydrogen 2.785 N/A GLU 80.A N THR 76.A O no hydrogen 2.984 N/A TRP 81.A N SER 77.A O no hydrogen 2.947 N/A ARG 82.A N PHE 78.A O no hydrogen 2.729 N/A ARG 82.A NE HIS 92.A NE2 no hydrogen 2.888 N/A ARG 82.A NH1 LEU 119.A O no hydrogen 2.804 N/A GLU 83.A N GLY 79.A O no hydrogen 3.023 N/A ARG 84.A N GLU 80.A O no hydrogen 2.889 N/A ARG 84.A NE GLU 80.A OE1 no hydrogen 3.232 N/A ARG 84.A NE GLU 80.A OE2 no hydrogen 2.664 N/A ARG 84.A NH2 GLU 80.A OE1 no hydrogen 2.764 N/A ASP 85.A N TRP 81.A O no hydrogen 2.663 N/A LEU 86.A N TRP 81.A O no hydrogen 3.192 N/A LEU 87.A N ARG 82.A O no hydrogen 2.779 N/A ARG 89.A N LEU 86.A O no hydrogen 2.873 N/A ARG 89.A NE ASP 85.A OD1 no hydrogen 2.733 N/A ARG 89.A NH1 GLU 57.A OE1 no hydrogen 2.752 N/A ARG 89.A NH2 GLU 57.A OE1 no hydrogen 3.339 N/A ARG 89.A NH2 GLU 57.A OE2 no hydrogen 2.912 N/A ARG 89.A NH2 ASP 85.A OD1 no hydrogen 2.691 N/A ILE 90.A N LEU 86.A O no hydrogen 2.799 N/A HIS 92.A ND1 ILE 90.A O no hydrogen 2.628 N/A ASP 93.A N GLU 9.A O no hydrogen 2.622 N/A HIS 94.A N GLU 9.A O no hydrogen 3.363 N/A ALA 95.A N SER 122.A O no hydrogen 2.946 N/A GLN 96.A N VAL 11.A O no hydrogen 2.891 N/A GLN 96.A NE2 HIS 94.A NE2 no hydrogen 2.943 N/A GLN 96.A NE2 MET 140.A O no hydrogen 3.599 N/A LEU 97.A N ALA 124.A O no hydrogen 2.940 N/A LEU 98.A N VAL 13.A O no hydrogen 2.570 N/A THR 99.A N VAL 126.A O no hydrogen 2.982 N/A THR 99.A OG1 ASP 15.A OD2 no hydrogen 2.524 N/A ILE 101.A N THR 99.A OG1 no hydrogen 2.935 N/A ASP 104.A N LYS 69.A O no hydrogen 2.688 N/A THR 107.A N ASP 104.A O no hydrogen 3.295 N/A THR 107.A OG1 ASP 104.A O no hydrogen 3.410 N/A ILE 110.A N VAL 125.A O no hydrogen 2.814 N/A THR 113.A OG1 HIS 146.A ND1 no hydrogen 3.389 N/A ALA 114.A N HIS 146.A O no hydrogen 2.762 N/A MET 116.A N ASN 147.A O no hydrogen 2.995 N/A CYS 117.A N SER 122.A OG no hydrogen 2.930 N/A ASP 118.A N GLY 115.A O no hydrogen 2.884 N/A SER 120.A N ASP 118.A OD2 no hydrogen 3.081 N/A SER 120.A OG ASP 118.A OD2 no hydrogen 3.363 N/A GLN 121.A N ASP 118.A OD2 no hydrogen 2.822 N/A SER 122.A N ASP 118.A O no hydrogen 3.104 N/A SER 122.A OG ASP 93.A O no hydrogen 2.534 N/A SER 122.A OG HIS 94.A ND1 no hydrogen 3.287 N/A SER 122.A OG ASN 147.A OD1 no hydrogen 3.453 N/A ALA 124.A N ALA 95.A O no hydrogen 3.148 N/A VAL 125.A N ILE 110.A O no hydrogen 2.748 N/A VAL 126.A N LEU 97.A O no hydrogen 2.760 N/A MET 127.A N ILE 108.A O no hydrogen 2.751 N/A ASP 128.A N THR 99.A O no hydrogen 2.755 N/A HIS 129.A NE2 THR 139.A OG1 no hydrogen 2.765 N/A SER 130.A OG LYS 132.A O no hydrogen 3.512 N/A LYS 132.A N SER 130.A OG no hydrogen 2.817 N/A ASN 133.A ND2 TRP 32.A O no hydrogen 3.049 N/A ARG 135.A N LYS 132.A O no hydrogen 2.894 N/A ARG 135.A NH1 SER 171.A O no hydrogen 3.018 N/A VAL 136.A N ASN 133.A O no hydrogen 2.983 N/A ALA 137.A N ASN 133.A O no hydrogen 2.871 N/A VAL 138.A N LEU 134.A O no hydrogen 2.834 N/A THR 139.A N ARG 135.A O no hydrogen 3.336 N/A THR 139.A OG1 HIS 129.A NE2 no hydrogen 2.765 N/A THR 139.A OG1 ARG 135.A O no hydrogen 2.899 N/A MET 140.A N VAL 136.A O no hydrogen 2.759 N/A ALA 141.A N ALA 137.A O no hydrogen 2.789 N/A HIS 142.A N VAL 138.A O no hydrogen 2.771 N/A HIS 142.A ND1 ILE 165.A O no hydrogen 2.658 N/A HIS 142.A NE2 HIS 152.A NE2 no hydrogen 3.149 N/A GLU 143.A N THR 139.A O no hydrogen 2.934 N/A LEU 144.A N MET 140.A O no hydrogen 2.766 N/A GLY 145.A N ALA 141.A O no hydrogen 2.643 N/A HIS 146.A N HIS 142.A O no hydrogen 2.905 N/A HIS 146.A ND1 MET 150.A O no hydrogen 2.739 N/A HIS 146.A NE2 HIS 152.A NE2 no hydrogen 3.096 N/A ASN 147.A N GLU 143.A O no hydrogen 2.862 N/A ASN 147.A ND2 TYR 112.A O no hydrogen 2.728 N/A ASN 147.A ND2 GLN 121.A O no hydrogen 2.796 N/A LEU 148.A N LEU 144.A O no hydrogen 2.885 N/A GLY 149.A N HIS 146.A O no hydrogen 2.744 N/A MET 150.A N GLY 145.A O no hydrogen 2.901 N/A ARG 151.A N GLN 185.A OE1 no hydrogen 2.710 N/A HIS 152.A NE2 HIS 142.A NE2 no hydrogen 3.149 N/A ASP 153.A N MET 166.A O no hydrogen 2.699 N/A GLN 156.A N GLN 156.A OE1 no hydrogen 2.609 N/A CYS 157.A N GLY 154.A O no hydrogen 3.091 N/A CYS 157.A SG ASP 153.A OD1 no hydrogen 3.842 N/A CYS 157.A SG GLY 154.A O no hydrogen 3.551 N/A HIS 158.A N ASP 180.A OD1 no hydrogen 2.863 N/A CYS 159.A SG ALA 161.A O no hydrogen 3.464 N/A SER 163.A OG SER 171.A OG no hydrogen 2.690 N/A ILE 165.A N GLU 177.A O no hydrogen 2.959 N/A ALA 167.A N CYS 164.A O no hydrogen 3.166 N/A SER 171.A OG SER 163.A OG no hydrogen 2.690 N/A SER 171.A OG LYS 172.A O no hydrogen 2.746 N/A GLU 177.A N SER 163.A O no hydrogen 3.225 N/A SER 179.A OG ASP 153.A OD1 no hydrogen 2.604 N/A SER 179.A OG SER 182.A OG no hydrogen 3.127 N/A ASP 180.A N HIS 158.A O no hydrogen 2.807 N/A CYS 181.A N ASP 180.A OD1 no hydrogen 2.703 N/A CYS 181.A SG ASP 180.A OD1 no hydrogen 3.662 N/A SER 182.A N SER 179.A OG no hydrogen 3.006 N/A SER 182.A OG ASP 153.A OD1 no hydrogen 3.466 N/A SER 182.A OG SER 179.A OG no hydrogen 3.127 N/A GLN 183.A N SER 179.A O no hydrogen 3.144 N/A ASN 184.A N ASP 180.A O no hydrogen 2.896 N/A GLN 185.A N CYS 181.A O no hydrogen 2.762 N/A TYR 186.A N SER 182.A O no hydrogen 2.881 N/A GLN 187.A N GLN 183.A O no hydrogen 2.960 N/A GLN 187.A NE2.A GLN 2.A O no hydrogen 3.474 N/A GLN 187.A NE2.B GLN 2.A O no hydrogen 3.613 N/A THR 188.A N ASN 184.A O no hydrogen 2.933 N/A THR 188.A OG1 ASN 184.A O no hydrogen 2.997 N/A TYR 189.A N GLN 185.A O no hydrogen 2.807 N/A LEU 190.A N TYR 186.A O no hydrogen 2.873 N/A THR 191.A N GLN 187.A O no hydrogen 3.151 N/A THR 191.A OG1 THR 188.A O no hydrogen 2.902 N/A LYS 192.A N THR 188.A O no hydrogen 2.769 N/A HIS 193.A N TYR 189.A O no hydrogen 2.687 N/A ASN 194.A N LEU 190.A O no hydrogen 2.782 N/A CYS 197.A SG ASP 93.A OD1 no hydrogen 3.421 N/A ILE 198.A N PRO 195.A O no hydrogen 3.313 N/A LEU 199.A N GLN 196.A O no hydrogen 3.154 N/A ASN 200.A ND2 GLU 9.A OE1 no hydrogen 2.989 N/A