Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 6.A N HIS 2.A O no hydrogen 3.023 N/A LEU 7.A N LEU 3.A O no hydrogen 2.889 N/A GLN 8.A N SER 4.A O no hydrogen 3.024 N/A GLN 9.A N ASP 5.A O no hydrogen 2.897 N/A GLN 9.A NE2 PRO 167.A O no hydrogen 2.985 N/A LEU 10.A N MET 6.A O no hydrogen 2.948 N/A HIS 11.A N LEU 7.A O no hydrogen 2.788 N/A SER 12.A N GLN 8.A O no hydrogen 3.040 N/A SER 12.A OG GLU 190.A OE1 no hydrogen 2.601 N/A SER 12.A OG GLU 190.A OE2 no hydrogen 3.113 N/A VAL 13.A N GLN 9.A O no hydrogen 3.102 N/A ASN 14.A N LEU 10.A O no hydrogen 2.926 N/A ASN 14.A ND2 LEU 202.A O no hydrogen 3.309 N/A ALA 15.A N HIS 11.A O no hydrogen 2.943 N/A SER 16.A N SER 12.A O no hydrogen 3.317 N/A SER 16.A N VAL 13.A O no hydrogen 3.141 N/A SER 16.A OG VAL 13.A O no hydrogen 2.620 N/A LYS 17.A N ASN 14.A O no hydrogen 3.015 N/A GLU 20.A N LYS 17.A O no hydrogen 3.075 N/A ARG 21.A NH2 SER 16.A O no hydrogen 3.015 N/A ARG 25.A N TYR 192.A O no hydrogen 2.789 N/A ARG 25.A NH1 GLU 28.A OE1 no hydrogen 3.472 N/A GLN 26.A NE2 TYR 184.A OH no hydrogen 2.883 N/A GLU 28.A N ARG 25.A O no hydrogen 2.986 N/A ALA 29.A N GLN 26.A O no hydrogen 2.949 N/A GLU 30.A N GLU 27.A O no hydrogen 3.311 N/A ASP 31.A N THR 183.A O no hydrogen 2.862 N/A ALA 33.A N ASP 31.A OD1 no hydrogen 3.062 N/A CYS 34.A N ASP 31.A O no hydrogen 3.024 N/A CYS 34.A SG ASP 31.A OD2 no hydrogen 3.570 N/A ILE 35.A N PRO 32.A O no hydrogen 3.317 N/A TRP 39.A NE1 ALA 122.A O no hydrogen 2.868 N/A VAL 40.A N GLN 153.A OE1 no hydrogen 2.784 N/A SER 41.A N GLN 55.A O no hydrogen 2.774 N/A SER 41.A OG.A ALA 122.A O no hydrogen 2.895 N/A SER 41.A OG.B GLN 55.A O no hydrogen 2.912 N/A SER 41.A OG.B GLN 55.A OE1 no hydrogen 2.800 N/A LYS 42.A N GLN 55.A O no hydrogen 3.357 N/A LYS 42.A NZ MET 115.A O no hydrogen 2.675 N/A LYS 42.A NZ LEU 119.A O no hydrogen 2.811 N/A VAL 44.A N GLY 53.A O no hydrogen 2.801 N/A TYR 46.A N GLY 51.A O no hydrogen 2.964 N/A SER 47.A N ASP 45.A OD1 no hydrogen 2.988 N/A SER 47.A OG ASP 45.A OD1 no hydrogen 2.627 N/A LYS 49.A N TYR 46.A O no hydrogen 3.141 N/A TYR 50.A N TYR 46.A O no hydrogen 2.824 N/A GLY 51.A N TYR 46.A O no hydrogen 3.038 N/A LEU 52.A N LEU 64.A O no hydrogen 2.978 N/A GLY 53.A N VAL 44.A O no hydrogen 2.923 N/A TYR 54.A N GLY 62.A O no hydrogen 2.907 N/A GLN 55.A N LYS 42.A O no hydrogen 2.853 N/A LEU 56.A N SER 60.A O no hydrogen 2.868 N/A CYS 57.A N TRP 39.A O no hydrogen 2.961 N/A CYS 57.A SG ILE 37.A O no hydrogen 3.442 N/A CYS 57.A SG TRP 39.A O no hydrogen 4.045 N/A ASN 59.A N LEU 56.A O no hydrogen 2.896 N/A SER 60.A N ASP 58.A OD2 no hydrogen 3.038 N/A SER 60.A OG.A ASP 58.A OD1 no hydrogen 2.802 N/A SER 60.A OG.A ASP 58.A OD2 no hydrogen 3.226 N/A SER 60.A OG.B ASP 58.A OD1 no hydrogen 3.522 N/A SER 60.A OG.B ASP 58.A OD2 no hydrogen 2.573 N/A VAL 61.A N LEU 73.A O no hydrogen 2.993 N/A GLY 62.A N TYR 54.A O no hydrogen 2.947 N/A VAL 63.A N LEU 71.A O no hydrogen 2.860 N/A LEU 64.A N LEU 52.A O no hydrogen 2.903 N/A PHE 65.A N THR 69.A O no hydrogen 2.859 N/A ASN 66.A N TYR 50.A O no hydrogen 2.897 N/A ASN 66.A ND2 SER 47.A O no hydrogen 2.786 N/A SER 68.A N PHE 65.A O no hydrogen 2.996 N/A THR 69.A N ASP 67.A OD1 no hydrogen 3.230 N/A THR 69.A OG1 ASP 67.A OD1 no hydrogen 2.678 N/A ARG 70.A N ILE 83.A O no hydrogen 2.959 N/A ARG 70.A NE LEU 133.A O no hydrogen 2.830 N/A ARG 70.A NH1 ARG 134.A O no hydrogen 2.681 N/A LEU 71.A N VAL 63.A O no hydrogen 3.095 N/A ILE 72.A N GLN 81.A O no hydrogen 2.824 N/A LEU 73.A N VAL 61.A O no hydrogen 2.700 N/A TYR 74.A N SER 79.A O no hydrogen 2.848 N/A ASN 75.A ND2 ASP 58.A O no hydrogen 3.615 N/A ASN 75.A ND2 ASP 58.A OD1 no hydrogen 3.025 N/A GLY 77.A N TYR 74.A O no hydrogen 2.942 N/A ASP 78.A N ASP 76.A OD2 no hydrogen 2.955 N/A SER 79.A N ASP 76.A OD2 no hydrogen 2.832 N/A SER 79.A OG ASP 76.A OD1 no hydrogen 2.666 N/A SER 79.A OG ASP 76.A OD2 no hydrogen 3.397 N/A LEU 80.A N LEU 92.A O no hydrogen 2.734 N/A GLN 81.A N ILE 72.A O no hydrogen 2.882 N/A TYR 82.A N SER 90.A O no hydrogen 2.801 N/A ILE 83.A N ARG 70.A O no hydrogen 2.831 N/A GLU 84.A N THR 88.A O no hydrogen 2.966 N/A GLY 87.A N GLU 84.A O no hydrogen 2.981 N/A THR 88.A N ASP 86.A OD2 no hydrogen 3.047 N/A THR 88.A OG1 ASP 86.A OD2 no hydrogen 2.934 N/A SER 90.A N TYR 82.A O no hydrogen 2.745 N/A TYR 91.A OH GLU 89.A OE1 no hydrogen 3.001 N/A LEU 92.A N LEU 80.A O no hydrogen 2.976 N/A THR 93.A OG1 SER 96.A OG no hydrogen 2.945 N/A VAL 94.A N ASP 78.A O no hydrogen 2.871 N/A SER 95.A N ASP 78.A OD1 no hydrogen 2.959 N/A SER 95.A OG ASP 78.A OD1 no hydrogen 3.211 N/A SER 95.A OG ASP 78.A OD2 no hydrogen 2.687 N/A SER 96.A N THR 93.A O no hydrogen 3.323 N/A SER 96.A OG THR 93.A O no hydrogen 3.212 N/A SER 96.A OG THR 93.A OG1 no hydrogen 2.945 N/A HIS 97.A N VAL 94.A O no hydrogen 3.273 N/A HIS 97.A ND1 VAL 94.A O no hydrogen 2.550 N/A LEU 101.A N PRO 98.A O no hydrogen 2.985 N/A MET 102.A N ASN 99.A O no hydrogen 3.300 N/A LYS 104.A NZ ASP 67.A OD2 no hydrogen 2.730 N/A LYS 104.A NZ THR 69.A OG1 no hydrogen 2.837 N/A LYS 104.A NZ TYR 82.A OH no hydrogen 2.869 N/A ILE 105.A N LEU 101.A O no hydrogen 2.888 N/A THR 106.A N MET 102.A O no hydrogen 2.949 N/A THR 106.A OG1 MET 102.A O no hydrogen 2.824 N/A LEU 107.A N LYS 103.A O no hydrogen 2.956 N/A LEU 108.A N LYS 104.A O no hydrogen 2.927 N/A LYS 109.A N ILE 105.A O no hydrogen 2.897 N/A TYR 110.A N THR 106.A O no hydrogen 3.066 N/A PHE 111.A N LEU 107.A O no hydrogen 3.018 N/A ARG 112.A N LEU 108.A O no hydrogen 2.780 N/A ASN 113.A N LYS 109.A O no hydrogen 2.904 N/A TYR 114.A N TYR 110.A O no hydrogen 3.022 N/A MET 115.A N PHE 111.A O no hydrogen 3.052 N/A SER 116.A N ARG 112.A O no hydrogen 3.044 N/A GLU 117.A N ASN 113.A O no hydrogen 3.104 N/A GLU 117.A N TYR 114.A O no hydrogen 3.235 N/A HIS 118.A N TYR 114.A O no hydrogen 2.948 N/A LEU 119.A N MET 115.A O no hydrogen 3.452 N/A LYS 121.A NZ CYS 57.A O no hydrogen 3.077 N/A ALA 122.A N SER 41.A O no hydrogen 2.972 N/A ILE 126.A N GLY 123.A O no hydrogen 3.074 N/A ARG 129.A N PRO 36.A O no hydrogen 3.304 N/A ARG 129.A NE ILE 35.A O no hydrogen 2.927 N/A TYR 132.A N SER 148.A OG no hydrogen 2.850 N/A LEU 133.A N TYR 54.A OH no hydrogen 3.107 N/A ARG 134.A N HIS 146.A O no hydrogen 2.767 N/A THR 135.A N HIS 146.A O no hydrogen 3.410 N/A PHE 137.A N ILE 144.A O no hydrogen 3.069 N/A ARG 138.A NH2 ASP 45.A OD2 no hydrogen 2.940 N/A THR 139.A N ALA 142.A O no hydrogen 2.810 N/A THR 139.A OG1 ALA 142.A O no hydrogen 3.342 N/A THR 139.A OG1 TYR 204.A OH no hydrogen 2.730 N/A SER 141.A N THR 139.A OG1 no hydrogen 3.156 N/A ALA 142.A N THR 139.A OG1 no hydrogen 2.972 N/A ILE 143.A N ASN 155.A O no hydrogen 2.982 N/A ILE 144.A N PHE 137.A O no hydrogen 2.840 N/A LEU 145.A N GLN 153.A O no hydrogen 2.779 N/A HIS 146.A N THR 135.A O no hydrogen 2.908 N/A LEU 147.A N SER 151.A O no hydrogen 2.837 N/A SER 148.A N TYR 132.A O no hydrogen 2.806 N/A SER 148.A OG TYR 132.A O no hydrogen 3.450 N/A GLY 150.A N LEU 147.A O no hydrogen 2.951 N/A SER 151.A N ASN 149.A OD1 no hydrogen 3.052 N/A SER 151.A OG ASN 149.A OD1 no hydrogen 3.401 N/A VAL 152.A N LEU 165.A O no hydrogen 2.943 N/A GLN 153.A N LEU 145.A O no hydrogen 2.812 N/A GLN 153.A NE2 VAL 40.A O no hydrogen 2.911 N/A GLN 153.A NE2 ASN 155.A OD1 no hydrogen 2.980 N/A ILE 154.A N LEU 163.A O no hydrogen 2.845 N/A ASN 155.A N ILE 143.A O no hydrogen 2.980 N/A PHE 156.A N THR 161.A O no hydrogen 2.847 N/A PHE 157.A N SER 141.A O no hydrogen 2.847 N/A HIS 160.A N PHE 156.A O no hydrogen 3.112 N/A THR 161.A N ASP 159.A OD1 no hydrogen 3.051 N/A THR 161.A OG1 ASP 159.A OD1 no hydrogen 2.620 N/A LYS 162.A N ILE 175.A O no hydrogen 2.966 N/A LYS 162.A NZ HIS 160.A O no hydrogen 2.939 N/A LEU 163.A N ILE 154.A O no hydrogen 2.846 N/A ILE 164.A N THR 173.A O no hydrogen 2.865 N/A LEU 165.A N VAL 152.A O no hydrogen 2.769 N/A CYS 166.A N ALA 171.A O no hydrogen 2.968 N/A CYS 166.A SG.B SER 151.A OG no hydrogen 3.368 N/A ALA 171.A N CYS 166.A O no hydrogen 3.028 N/A VAL 172.A N TYR 184.A O no hydrogen 2.845 N/A THR 173.A N ILE 164.A O no hydrogen 2.840 N/A THR 173.A OG1 THR 183.A OG1 no hydrogen 2.821 N/A TYR 174.A N ARG 182.A O no hydrogen 2.789 N/A ILE 175.A N LYS 162.A O no hydrogen 2.895 N/A ASP 176.A N ASP 180.A O no hydrogen 3.070 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.696 N/A LYS 178.A N ASP 176.A OD1 no hydrogen 2.904 N/A ARG 179.A N ASP 176.A O no hydrogen 3.020 N/A ASP 180.A N ASP 176.A OD1 no hydrogen 2.924 N/A ARG 182.A N TYR 174.A O no hydrogen 3.048 N/A ARG 182.A NE ASP 180.A OD1 no hydrogen 3.430 N/A ARG 182.A NE ASP 180.A OD2 no hydrogen 2.779 N/A ARG 182.A NH1 GLU 30.A OE1 no hydrogen 3.237 N/A THR 183.A OG1 THR 173.A OG1 no hydrogen 2.821 N/A TYR 184.A N VAL 172.A O no hydrogen 2.768 N/A ARG 185.A N ALA 29.A O no hydrogen 3.043 N/A LEU 186.A N ALA 170.A O no hydrogen 2.930 N/A LEU 188.A N ARG 185.A O no hydrogen 3.029 N/A LEU 189.A N ARG 185.A O no hydrogen 3.039 N/A GLU 190.A N LEU 186.A O no hydrogen 3.112 N/A GLU 191.A N SER 187.A O no hydrogen 3.117 N/A TYR 192.A N LEU 188.A O no hydrogen 2.840 N/A GLY 193.A N LEU 189.A O no hydrogen 2.745 N/A CYS 194.A N PRO 18.A O no hydrogen 3.158 N/A CYS 194.A SG CYS 195.A O no hydrogen 3.627 N/A CYS 195.A N GLN 26.A OE1 no hydrogen 2.808 N/A CYS 195.A SG GLN 26.A OE1 no hydrogen 3.462 N/A ALA 199.A N CYS 195.A O no hydrogen 3.008 N/A SER 200.A N LYS 196.A O no hydrogen 2.894 N/A SER 200.A OG.A LYS 196.A O no hydrogen 3.286 N/A SER 200.A OG.A GLU 197.A O no hydrogen 2.758 N/A SER 200.A OG.B LYS 196.A O no hydrogen 2.972 N/A ARG 201.A N GLU 197.A O no hydrogen 3.223 N/A ARG 201.A NE THR 161.A OG1 no hydrogen 2.955 N/A ARG 201.A NH1 GLU 197.A O no hydrogen 2.878 N/A ARG 201.A NH2 ASP 159.A OD2 no hydrogen 2.708 N/A LEU 202.A N LEU 198.A O no hydrogen 2.909 N/A ARG 203.A N ALA 199.A O no hydrogen 3.059 N/A TYR 204.A N SER 200.A O no hydrogen 2.988 N/A ALA 205.A N ARG 201.A O no hydrogen 2.808 N/A ARG 206.A N LEU 202.A O no hydrogen 3.095 N/A ARG 206.A NH2 ASP 210.A OD2 no hydrogen 2.792 N/A THR 207.A N ARG 203.A O no hydrogen 3.363 N/A THR 207.A OG1.A ARG 203.A O no hydrogen 3.320 N/A THR 207.A OG1.B TYR 204.A O no hydrogen 2.633 N/A MET 208.A N TYR 204.A O no hydrogen 3.016 N/A VAL 209.A N ALA 205.A O no hydrogen 2.885 N/A ASP 210.A N ARG 206.A O no hydrogen 2.997 N/A LYS 211.A N THR 207.A O no hydrogen 3.066 N/A LEU 212.A N MET 208.A O no hydrogen 2.963 N/A LEU 213.A N VAL 209.A O no hydrogen 2.850 N/A SER 214.A N ASP 210.A O no hydrogen 2.901 N/A SER 214.A OG.A ASP 210.A O no hydrogen 2.918 N/A SER 214.A OG.A LYS 211.A O no hydrogen 3.025 N/A SER 214.A OG.B ASP 210.A O no hydrogen 2.797 N/A SER 215.A N LEU 212.A O no hydrogen 3.327 N/A SER 215.A OG LYS 211.A O no hydrogen 2.616 N/A SER 215.A OG LEU 212.A O no hydrogen 3.542 N/A