Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q4s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N MET 2.A O no hydrogen 3.298 N/A ALA 6.A N LYS 98.A O no hydrogen 3.461 N/A PHE 7.A N ARG 35.A O no hydrogen 2.833 N/A VAL 8.A N VAL 100.A O no hydrogen 2.860 N/A THR 9.A N VAL 37.A O no hydrogen 2.891 N/A THR 9.A OG1 MET 102.A O no hydrogen 2.552 N/A LEU 10.A N THR 9.A OG1 no hydrogen 2.811 N/A THR 11.A N LEU 39.A O no hydrogen 2.909 N/A TYR 16.A N ASN 13.A OD1 no hydrogen 2.914 N/A ALA 17.A N ASN 13.A O no hydrogen 3.071 N/A LYS 18.A N ALA 15.A O no hydrogen 3.064 N/A ALA 20.A N TYR 16.A O no hydrogen 2.954 N/A LEU 21.A N ALA 17.A O no hydrogen 2.846 N/A VAL 22.A N LYS 18.A O no hydrogen 3.058 N/A LEU 23.A N GLY 19.A O no hydrogen 2.841 N/A GLY 24.A N ALA 20.A O no hydrogen 2.815 N/A SER 25.A N LEU 21.A O no hydrogen 2.997 N/A SER 25.A OG LEU 21.A O no hydrogen 2.707 N/A SER 26.A N VAL 22.A O no hydrogen 2.912 N/A SER 26.A OG VAL 22.A O no hydrogen 3.536 N/A SER 26.A OG LEU 23.A O no hydrogen 2.611 N/A LEU 27.A N LEU 23.A O no hydrogen 2.998 N/A LYS 28.A N GLY 24.A O no hydrogen 3.071 N/A LYS 28.A NZ VAL 55.A O no hydrogen 2.743 N/A GLN 29.A N SER 25.A O no hydrogen 2.800 N/A HIS 30.A N SER 26.A O no hydrogen 3.139 N/A ARG 31.A N LYS 28.A O no hydrogen 2.920 N/A THR 32.A N LEU 27.A O no hydrogen 3.191 N/A THR 32.A OG1 ASP 113.A OD1 no hydrogen 2.717 N/A THR 33.A N ASP 113.A OD2 no hydrogen 3.012 N/A ARG 34.A N THR 32.A OG1 no hydrogen 3.104 N/A ARG 34.A NE GLN 5.A OE1 no hydrogen 2.853 N/A ARG 34.A NH2 GLN 5.A OE1 no hydrogen 2.842 N/A ARG 35.A N GLN 5.A O no hydrogen 3.104 N/A ARG 35.A NH2 GLU 58.A OE2 no hydrogen 2.618 N/A LEU 36.A N ASP 57.A OD2 no hydrogen 2.812 N/A VAL 37.A N PHE 7.A O no hydrogen 2.809 N/A VAL 38.A N GLU 58.A O no hydrogen 3.009 N/A LEU 39.A N THR 9.A O no hydrogen 2.821 N/A ALA 40.A N ILE 60.A O no hydrogen 2.863 N/A THR 41.A N THR 11.A O no hydrogen 3.267 N/A THR 41.A OG1 THR 12.A O no hydrogen 3.188 N/A GLN 43.A N THR 41.A OG1 no hydrogen 3.341 N/A VAL 44.A N THR 41.A O no hydrogen 3.014 N/A SER 45.A N ASP 14.A OD1 no hydrogen 3.022 N/A SER 45.A OG ASP 14.A OD1 no hydrogen 3.473 N/A SER 45.A OG ASP 14.A OD2 no hydrogen 2.855 N/A MET 48.A N SER 45.A OG no hydrogen 3.320 N/A ARG 49.A N SER 45.A O no hydrogen 2.933 N/A ARG 49.A NE VAL 44.A O no hydrogen 2.988 N/A ARG 49.A NH2 PRO 42.A O no hydrogen 3.413 N/A ARG 49.A NH2 VAL 44.A O no hydrogen 2.942 N/A LYS 50.A N ASP 46.A O no hydrogen 3.228 N/A VAL 51.A N SER 47.A O no hydrogen 3.299 N/A LEU 52.A N MET 48.A O no hydrogen 2.852 N/A GLU 53.A N ARG 49.A O no hydrogen 2.960 N/A THR 54.A N VAL 51.A O no hydrogen 3.031 N/A THR 54.A OG1 VAL 51.A O no hydrogen 2.662 N/A VAL 55.A N LEU 52.A O no hydrogen 3.092 N/A PHE 56.A N LEU 52.A O no hydrogen 2.843 N/A ASP 57.A N LEU 36.A O no hydrogen 2.796 N/A GLU 58.A N LEU 36.A O no hydrogen 3.241 N/A ILE 60.A N VAL 38.A O no hydrogen 2.853 N/A VAL 62.A N ALA 40.A O no hydrogen 2.858 N/A LEU 65.A N ASP 63.A OD1 no hydrogen 2.990 N/A ASP 66.A N ASP 63.A O no hydrogen 3.040 N/A GLY 68.A N ASP 66.A OD1 no hydrogen 2.784 N/A ASP 69.A N ASP 66.A O no hydrogen 3.077 N/A SER 70.A OG TYR 147.A OH no hydrogen 2.712 N/A ALA 71.A N ASP 69.A OD2 no hydrogen 2.733 N/A HIS 72.A N ASP 69.A O no hydrogen 3.113 N/A HIS 72.A ND1 VAL 64.A O no hydrogen 2.736 N/A LEU 75.A N ALA 71.A O no hydrogen 2.865 N/A MET 76.A N HIS 72.A O no hydrogen 3.151 N/A LYS 77.A N LEU 73.A O no hydrogen 3.294 N/A LYS 77.A NZ SER 155.A O no hydrogen 3.288 N/A ARG 78.A N THR 74.A O no hydrogen 2.790 N/A ARG 78.A NE ALA 154.A O no hydrogen 3.142 N/A ARG 78.A NE SER 155.A O no hydrogen 3.090 N/A ARG 78.A NH2 SER 155.A O no hydrogen 2.867 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.642 N/A LEU 81.A N ARG 78.A O no hydrogen 3.045 N/A LEU 85.A N LEU 81.A O no hydrogen 2.857 N/A THR 86.A N GLY 82.A O no hydrogen 2.975 N/A THR 86.A OG1 GLY 82.A O no hydrogen 2.777 N/A LYS 87.A N VAL 83.A O no hydrogen 2.971 N/A LYS 87.A NZ ASP 103.A OD1 no hydrogen 2.851 N/A LYS 87.A NZ SER 135.A O no hydrogen 2.812 N/A LYS 87.A NZ ASP 164.A OD2 no hydrogen 2.622 N/A LEU 88.A N THR 84.A O no hydrogen 2.916 N/A HIS 89.A N THR 86.A O no hydrogen 3.100 N/A HIS 89.A ND1 LEU 85.A O no hydrogen 2.743 N/A HIS 89.A NE2 ASP 69.A OD1 no hydrogen 2.734 N/A HIS 89.A NE2 ASP 69.A OD2 no hydrogen 3.020 N/A CYS 90.A N LYS 87.A O no hydrogen 2.902 N/A CYS 90.A SG LYS 87.A O no hydrogen 3.178 N/A TRP 91.A N LEU 88.A O no hydrogen 3.113 N/A TRP 91.A NE1 GLU 120.A OE1 no hydrogen 2.864 N/A SER 92.A N HIS 89.A O no hydrogen 2.841 N/A SER 92.A OG HIS 89.A O no hydrogen 3.209 N/A LEU 93.A N CYS 90.A O no hydrogen 3.432 N/A THR 94.A N SER 92.A O no hydrogen 2.731 N/A THR 94.A OG1 SER 92.A O no hydrogen 3.449 N/A GLN 95.A N GLN 95.A OE1 no hydrogen 2.820 N/A TYR 96.A N LEU 93.A O no hydrogen 3.046 N/A SER 97.A N ASP 4.A O no hydrogen 2.860 N/A SER 97.A OG ASP 4.A OD2 no hydrogen 2.970 N/A LYS 98.A NZ PHE 116.A O no hydrogen 2.647 N/A LYS 98.A NZ ARG 118.A O no hydrogen 2.510 N/A CYS 99.A N TYR 140.A O no hydrogen 2.959 N/A VAL 100.A N ALA 6.A O no hydrogen 3.010 N/A PHE 101.A N PHE 138.A O no hydrogen 2.857 N/A MET 102.A N VAL 8.A O no hydrogen 2.857 N/A ASP 103.A N GLY 136.A O no hydrogen 2.876 N/A THR 106.A N ASP 103.A O no hydrogen 3.136 N/A THR 106.A OG1 ASP 103.A O no hydrogen 2.704 N/A LEU 107.A N VAL 209.A O no hydrogen 2.927 N/A VAL 108.A N SER 26.A OG no hydrogen 3.084 N/A LEU 109.A N LYS 207.A O no hydrogen 2.707 N/A ASN 111.A ND2 HIS 30.A O no hydrogen 2.806 N/A ASP 113.A N ASN 111.A OD1 no hydrogen 2.963 N/A LEU 115.A N ILE 112.A O no hydrogen 3.100 N/A PHE 116.A N ASP 113.A O no hydrogen 3.028 N/A ASP 117.A N ASP 114.A O no hydrogen 3.170 N/A ARG 118.A N LEU 115.A O no hydrogen 2.960 N/A ARG 118.A NH1 ARG 181.A O no hydrogen 2.656 N/A ARG 118.A NH1 HIS 183.A O no hydrogen 3.298 N/A SER 122.A N VAL 139.A O no hydrogen 3.302 N/A SER 122.A OG GLU 119.A O no hydrogen 2.651 N/A ALA 123.A N LYS 182.A O no hydrogen 3.015 N/A ASP 126.A N CYS 132.A O no hydrogen 2.971 N/A CYS 132.A N TRP 129.A O no hydrogen 2.881 N/A PHE 133.A N ASN 169.A OD1 no hydrogen 2.920 N/A ASN 134.A N ALA 124.A O no hydrogen 2.834 N/A ASN 134.A ND2 ASP 126.A OD1 no hydrogen 2.650 N/A SER 135.A N GLN 165.A OE1 no hydrogen 2.953 N/A SER 135.A OG ASP 164.A OD2 no hydrogen 2.657 N/A SER 135.A OG GLN 165.A OE1 no hydrogen 3.556 N/A GLY 136.A N ASN 134.A OD1 no hydrogen 2.887 N/A PHE 138.A N PHE 101.A O no hydrogen 3.037 N/A VAL 139.A N SER 122.A O no hydrogen 2.886 N/A TYR 140.A N CYS 99.A O no hydrogen 2.942 N/A TYR 140.A OH CYS 90.A O no hydrogen 2.667 N/A GLN 141.A N GLU 120.A OE1 no hydrogen 2.863 N/A SER 143.A N TRP 91.A O no hydrogen 2.750 N/A SER 143.A OG THR 146.A OG1 no hydrogen 3.294 N/A THR 146.A N SER 143.A OG no hydrogen 3.071 N/A THR 146.A OG1 SER 143.A OG no hydrogen 3.294 N/A TYR 147.A N SER 143.A O no hydrogen 3.041 N/A TYR 147.A OH SER 70.A OG no hydrogen 2.712 N/A ASN 148.A N VAL 144.A O no hydrogen 2.854 N/A GLN 149.A N GLU 145.A O no hydrogen 2.889 N/A GLN 149.A NE2 GLU 145.A OE2 no hydrogen 2.831 N/A LEU 150.A N THR 146.A O no hydrogen 2.899 N/A LEU 151.A N TYR 147.A O no hydrogen 2.987 N/A HIS 152.A N ASN 148.A O no hydrogen 2.953 N/A LEU 153.A N GLN 149.A O no hydrogen 2.976 N/A ALA 154.A N LEU 150.A O no hydrogen 2.980 N/A SER 155.A N LEU 151.A O no hydrogen 2.842 N/A GLU 156.A N HIS 152.A O no hydrogen 2.841 N/A GLN 157.A N LEU 153.A O no hydrogen 2.871 N/A GLY 158.A N ALA 154.A O no hydrogen 2.831 N/A SER 159.A OG ASP 161.A OD1 no hydrogen 2.975 N/A SER 159.A OG GLY 163.A O no hydrogen 2.509 N/A GLY 162.A N SER 159.A O no hydrogen 3.204 N/A GLY 163.A N ASP 161.A OD1 no hydrogen 3.250 N/A GLN 165.A NE2 ASP 126.A OD2 no hydrogen 3.048 N/A GLY 166.A N ASP 161.A OD1 no hydrogen 2.940 N/A LEU 168.A N ASP 164.A O no hydrogen 3.069 N/A ASN 169.A N GLN 165.A O no hydrogen 2.891 N/A ASN 169.A ND2 PHE 133.A O no hydrogen 2.922 N/A ASN 169.A ND2 GLN 165.A O no hydrogen 3.064 N/A THR 170.A N GLY 166.A O no hydrogen 2.841 N/A THR 170.A OG1 GLY 166.A O no hydrogen 2.938 N/A PHE 171.A N ILE 167.A O no hydrogen 2.763 N/A PHE 172.A N LEU 168.A O no hydrogen 2.789 N/A TRP 175.A N PHE 172.A O no hydrogen 3.394 N/A TRP 175.A NE1 LYS 182.A O no hydrogen 3.012 N/A THR 177.A N SER 174.A O no hydrogen 3.156 N/A THR 177.A OG1 SER 174.A O no hydrogen 3.497 N/A ARG 181.A N ASP 179.A OD2 no hydrogen 3.236 N/A ARG 181.A NE ASP 179.A OD1 no hydrogen 3.507 N/A ARG 181.A NE ASP 179.A OD2 no hydrogen 3.006 N/A ARG 181.A NH1 ASP 179.A OD1 no hydrogen 3.068 N/A LYS 182.A N ASP 179.A O no hydrogen 2.992 N/A LYS 182.A NZ GLU 120.A O no hydrogen 3.047 N/A HIS 183.A N ILE 180.A O no hydrogen 2.919 N/A HIS 183.A NE2 TRP 175.A O no hydrogen 2.770 N/A LEU 184.A N ALA 123.A O no hydrogen 3.006 N/A TYR 188.A N PRO 185.A O no hydrogen 2.811 N/A TYR 188.A OH ASP 114.A OD1 no hydrogen 2.859 N/A TYR 188.A OH ASP 114.A OD2 no hydrogen 2.898 N/A ASN 189.A N PHE 186.A O no hydrogen 2.952 N/A ASN 189.A ND2 ASN 134.A OD1 no hydrogen 3.068 N/A LEU 190.A N VAL 208.A O no hydrogen 2.910 N/A SER 192.A N HIS 210.A O no hydrogen 2.971 N/A SER 192.A OG HIS 210.A O no hydrogen 3.458 N/A ILE 193.A N SER 191.A OG no hydrogen 3.194 N/A SER 194.A N SER 191.A OG no hydrogen 3.359 N/A PHE 199.A N TYR 195.A O no hydrogen 3.234 N/A LYS 200.A N LEU 196.A O no hydrogen 2.798 N/A VAL 201.A N PRO 197.A O no hydrogen 3.187 N/A PHE 202.A N ALA 198.A O no hydrogen 2.734 N/A GLY 203.A N PHE 199.A O no hydrogen 2.699 N/A SER 205.A N PHE 202.A O no hydrogen 3.243 N/A SER 205.A OG PHE 202.A O no hydrogen 2.745 N/A ALA 206.A N GLY 203.A O no hydrogen 2.817 N/A LYS 207.A N ILE 187.A O no hydrogen 2.868 N/A LYS 207.A NZ TYR 188.A OH no hydrogen 3.185 N/A VAL 208.A N ILE 187.A O no hydrogen 3.111 N/A VAL 209.A N LEU 107.A O no hydrogen 2.906 N/A HIS 210.A N LEU 190.A O no hydrogen 2.867 N/A PHE 211.A N ASP 105.A O no hydrogen 2.828 N/A LEU 212.A N SER 192.A OG no hydrogen 3.152 N/A LYS 216.A NZ ASP 105.A OD2 no hydrogen 2.448 N/A LYS 216.A NZ PHE 211.A O no hydrogen 2.863 N/A ASN 219.A N LYS 216.A O no hydrogen 2.968 N/A ASP 223.A N SER 228.A O no hydrogen 2.789 N/A LYS 225.A N ASP 223.A OD1 no hydrogen 2.961 N/A THR 226.A OG1 ASP 223.A O no hydrogen 3.489 N/A THR 226.A OG1 SER 228.A OG no hydrogen 2.706 N/A LYS 227.A NZ TYR 222.A OH no hydrogen 3.492 N/A LYS 227.A NZ PRO 224.A O no hydrogen 2.588 N/A SER 228.A N ASP 223.A O no hydrogen 3.356 N/A SER 228.A OG THR 226.A OG1 no hydrogen 2.706 N/A LYS 230.A N THR 221.A O no hydrogen 3.168 N/A GLU 233.A N GLU 233.A OE1 no hydrogen 3.046 N/A ILE 236.A N PRO 232.A O no hydrogen 2.976 N/A LEU 237.A N GLU 233.A O no hydrogen 2.792 N/A TRP 238.A N PHE 234.A O no hydrogen 2.892 N/A TRP 239.A N LEU 235.A O no hydrogen 3.152 N/A TRP 239.A NE1 PRO 217.A O no hydrogen 2.819 N/A ASN 240.A N ILE 236.A O no hydrogen 2.884 N/A ILE 241.A N LEU 237.A O no hydrogen 2.873 N/A PHE 242.A N TRP 238.A O no hydrogen 2.993 N/A THR 243.A N TRP 239.A O no hydrogen 2.902 N/A THR 243.A OG1 TRP 239.A O no hydrogen 2.838 N/A THR 243.A OG1 ASN 240.A O no hydrogen 3.366 N/A THR 244.A N ASN 240.A O no hydrogen 2.891 N/A THR 244.A OG1 ASN 240.A O no hydrogen 2.952 N/A THR 244.A OG1 ASN 240.A OD1 no hydrogen 3.007 N/A ASN 245.A N ILE 241.A O no hydrogen 2.875 N/A VAL 246.A N ILE 241.A O no hydrogen 3.172 N/A VAL 246.A N PHE 242.A O no hydrogen 3.283 N/A LEU 247.A N PHE 242.A O no hydrogen 2.978 N/A LEU 249.A N VAL 246.A O no hydrogen 2.908 N/A GLN 251.A NE2 PRO 248.A O no hydrogen 2.657 N/A