Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mpb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LEU 207.A O no hydrogen 2.944 N/A ARG 3.A N ASP 209.A O no hydrogen 2.834 N/A ARG 3.A NE GLU 210.A OE1 no hydrogen 2.821 N/A ARG 3.A NH1 GLU 221.A OE1 no hydrogen 3.159 N/A ARG 3.A NH2 GLU 210.A OE2 no hydrogen 2.800 N/A ARG 3.A NH2 GLU 221.A OE1 no hydrogen 3.339 N/A ARG 3.A NH2 GLU 221.A OE2 no hydrogen 3.088 N/A SER 4.A N ASP 211.A OD1 no hydrogen 2.951 N/A SER 4.A OG ASP 211.A OD1 no hydrogen 3.465 N/A SER 4.A OG ASP 211.A OD2 no hydrogen 2.647 N/A ILE 6.A N LYS 2.A O no hydrogen 3.047 N/A ASN 7.A N ARG 3.A O no hydrogen 2.614 N/A ASN 7.A ND2 PRO 213.A O no hydrogen 2.919 N/A ASP 8.A N SER 4.A O no hydrogen 3.022 N/A ILE 9.A N ALA 5.A O no hydrogen 2.823 N/A LEU 10.A N ILE 6.A O no hydrogen 2.946 N/A GLY 11.A N ASN 7.A O no hydrogen 2.915 N/A HIS 12.A N ASP 8.A O no hydrogen 2.940 N/A THR 13.A N ILE 9.A O no hydrogen 2.892 N/A THR 13.A OG1 ILE 9.A O no hydrogen 3.277 N/A THR 13.A OG1 HIS 93.A ND1 no hydrogen 2.788 N/A ARG 14.A N LEU 10.A O no hydrogen 2.880 N/A GLN 15.A N GLY 11.A O no hydrogen 3.220 N/A PHE 16.A N HIS 12.A O no hydrogen 2.966 N/A PHE 17.A N THR 13.A O no hydrogen 2.838 N/A SER 18.A N ARG 14.A O no hydrogen 2.924 N/A GLN 19.A N GLN 15.A O no hydrogen 2.775 N/A HIS 20.A N PHE 16.A O no hydrogen 3.102 N/A HIS 20.A N PHE 17.A O no hydrogen 2.904 N/A HIS 20.A ND1 PHE 16.A O no hydrogen 3.338 N/A ASP 21.A N SER 18.A O no hydrogen 2.960 N/A VAL 22.A N PHE 17.A O no hydrogen 3.021 N/A ALA 28.A N PRO 25.A O no hydrogen 2.930 N/A SER 29.A N PRO 26.A O no hydrogen 3.016 N/A SER 29.A OG PRO 26.A O no hydrogen 3.153 N/A PHE 30.A N PHE 27.A O no hydrogen 3.361 N/A SER 31.A N GLN 34.A OE1 no hydrogen 2.953 N/A SER 31.A OG GLN 34.A OE1 no hydrogen 3.423 N/A GLN 34.A N SER 31.A OG no hydrogen 3.180 N/A TRP 35.A N SER 31.A O no hydrogen 3.098 N/A GLN 36.A N PRO 32.A O no hydrogen 3.109 N/A GLN 37.A N GLN 34.A O no hydrogen 3.173 N/A LEU 38.A N TRP 35.A O no hydrogen 3.418 N/A ALA 41.A N ASP 39.A OD1 no hydrogen 3.208 N/A ALA 42.A N ASP 39.A O no hydrogen 2.979 N/A ASP 48.A N GLU 44.A O no hydrogen 2.728 N/A LEU 49.A N GLU 45.A O no hydrogen 3.077 N/A LYS 50.A N PHE 47.A O no hydrogen 3.392 N/A LYS 50.A NZ ASP 194.A OD1 no hydrogen 3.070 N/A LYS 50.A NZ ASP 194.A OD2 no hydrogen 3.048 N/A LEU 51.A N VAL 46.A O no hydrogen 3.061 N/A GLY 52.A N THR 72.A O no hydrogen 2.829 N/A TRP 53.A NE1 ALA 28.A O no hydrogen 2.792 N/A ASP 54.A N LEU 70.A O no hydrogen 2.924 N/A THR 56.A N LEU 68.A O no hydrogen 3.121 N/A PHE 58.A N THR 56.A OG1 no hydrogen 2.836 N/A ARG 60.A N ALA 57.A O no hydrogen 3.000 N/A ALA 65.A N ASN 62.A O no hydrogen 3.100 N/A HIS 66.A N ASN 62.A O no hydrogen 2.921 N/A GLY 67.A N VAL 99.A O no hydrogen 3.244 N/A LEU 68.A N THR 56.A O no hydrogen 3.108 N/A LEU 70.A N ASP 54.A O no hydrogen 2.903 N/A PHE 71.A N ILE 91.A O no hydrogen 2.777 N/A THR 72.A N GLY 52.A O no hydrogen 2.970 N/A LEU 73.A N GLU 89.A O no hydrogen 2.703 N/A ARG 74.A NE GLU 89.A OE1 no hydrogen 2.723 N/A ARG 74.A NH2 GLU 89.A OE1 no hydrogen 2.902 N/A ASN 75.A ND2 LEU 49.A O no hydrogen 3.334 N/A ASN 75.A ND2 ASN 191.A O no hydrogen 2.939 N/A SER 77.A N TYR 83.A O no hydrogen 2.890 N/A GLY 80.A N SER 77.A O no hydrogen 2.888 N/A TYR 83.A N SER 77.A OG no hydrogen 2.999 N/A TYR 83.A OH ASP 48.A OD2 no hydrogen 2.780 N/A ALA 88.A N SER 188.A O no hydrogen 2.855 N/A GLU 89.A N ARG 74.A O no hydrogen 3.077 N/A LYS 90.A N GLU 186.A O no hydrogen 2.894 N/A LYS 90.A NZ ASP 193.A OD2 no hydrogen 3.365 N/A ILE 91.A N PHE 71.A O no hydrogen 2.926 N/A MET 92.A N VAL 184.A O no hydrogen 2.744 N/A HIS 93.A N THR 69.A O no hydrogen 2.879 N/A HIS 93.A ND1 THR 13.A OG1 no hydrogen 2.788 N/A HIS 93.A NE2 ASP 181.A OD2 no hydrogen 2.857 N/A VAL 94.A N VAL 182.A O no hydrogen 2.934 N/A ARG 95.A N GLN 98.A OE1 no hydrogen 2.934 N/A ARG 95.A NH1 THR 13.A OG1 no hydrogen 2.993 N/A ARG 95.A NH2 ILE 9.A O no hydrogen 3.041 N/A ARG 95.A NH2 THR 13.A OG1 no hydrogen 3.103 N/A ASP 96.A N ASP 181.A OD1 no hydrogen 2.727 N/A ALA 97.A N ALA 175.A O no hydrogen 3.197 N/A GLN 98.A N ARG 95.A O no hydrogen 2.875 N/A GLN 98.A NE2 PHE 63.A O no hydrogen 2.814 N/A VAL 99.A N ALA 65.A O no hydrogen 3.007 N/A THR 100.A N PHE 173.A O no hydrogen 2.869 N/A HIS 103.A N HIS 171.A O no hydrogen 3.000 N/A HIS 103.A ND1 PRO 101.A O no hydrogen 2.947 N/A PHE 104.A N HIS 198.A O no hydrogen 2.896 N/A HIS 105.A ND1 ASP 196.A O no hydrogen 3.170 N/A HIS 105.A NE2 GLU 110.A OE2 no hydrogen 2.864 N/A ARG 107.A N ASP 196.A OD1 no hydrogen 2.798 N/A LYS 108.A N ASP 196.A OD2 no hydrogen 2.896 N/A LYS 108.A NZ GLU 110.A OE1 no hydrogen 3.472 N/A LYS 108.A NZ GLU 186.A OE2 no hydrogen 2.936 N/A ARG 109.A N SER 189.A OG no hydrogen 3.037 N/A GLU 110.A N LEU 165.A O no hydrogen 3.140 N/A ASP 111.A N VAL 187.A O no hydrogen 2.697 N/A ILE 112.A N ILE 163.A O no hydrogen 2.885 N/A ILE 113.A N GLY 185.A O no hydrogen 2.776 N/A ASN 114.A N GLU 161.A O no hydrogen 2.907 N/A ASN 114.A ND2 GLY 118.A O no hydrogen 2.952 N/A ASN 114.A ND2 LEU 157.A O no hydrogen 2.793 N/A ARG 115.A N LEU 183.A O no hydrogen 2.813 N/A GLY 116.A N ASN 114.A OD1 no hydrogen 2.844 N/A GLY 118.A N ASP 181.A O no hydrogen 2.936 N/A ASN 119.A ND2 GLU 176.A OE1 no hydrogen 2.920 N/A LEU 120.A N LEU 157.A O no hydrogen 2.916 N/A ILE 121.A N TRP 174.A O no hydrogen 2.783 N/A VAL 122.A N LEU 155.A O no hydrogen 2.896 N/A GLU 123.A N SER 172.A O no hydrogen 2.829 N/A LEU 124.A N SER 153.A O no hydrogen 3.158 N/A TRP 125.A N TYR 170.A O no hydrogen 3.154 N/A TRP 125.A NE1 GLU 123.A OE2 no hydrogen 2.747 N/A ASN 126.A ND2 SER 136.A O no hydrogen 3.528 N/A ASN 126.A ND2 SER 136.A OG no hydrogen 2.853 N/A ASN 126.A ND2 ASP 137.A O no hydrogen 2.872 N/A ASP 128.A N GLN 132.A O no hydrogen 2.556 N/A SER 129.A N ASP 128.A OD1 no hydrogen 2.684 N/A GLU 131.A N ASP 128.A O no hydrogen 2.881 N/A ALA 134.A N ASN 126.A O no hydrogen 2.883 N/A ILE 138.A N HIS 149.A O no hydrogen 2.778 N/A VAL 140.A N GLN 147.A O no hydrogen 2.914 N/A ILE 142.A N CYS 145.A O no hydrogen 2.993 N/A CYS 145.A N ILE 142.A O no hydrogen 3.027 N/A CYS 145.A SG ARG 146.A O no hydrogen 4.047 N/A CYS 145.A SG GLN 147.A OE1 no hydrogen 3.978 N/A GLN 147.A N VAL 140.A O no hydrogen 2.885 N/A GLN 147.A NE2 HIS 149.A NE2 no hydrogen 2.736 N/A HIS 149.A N ILE 138.A O no hydrogen 2.821 N/A THR 150.A OG1 SER 153.A OG no hydrogen 3.413 N/A GLY 152.A N LEU 124.A O no hydrogen 2.774 N/A SER 153.A N THR 150.A O no hydrogen 3.015 N/A SER 153.A OG THR 150.A O no hydrogen 2.728 N/A SER 153.A OG THR 150.A OG1 no hydrogen 3.413 N/A GLN 154.A NE2 GLU 123.A OE1 no hydrogen 3.160 N/A LEU 155.A N VAL 122.A O no hydrogen 2.855 N/A ARG 156.A NE GLU 176.A OE1 no hydrogen 2.824 N/A ARG 156.A NE GLU 176.A OE2 no hydrogen 3.368 N/A ARG 156.A NH2 GLU 176.A OE2 no hydrogen 2.742 N/A LEU 157.A N LEU 120.A O no hydrogen 2.815 N/A SER 158.A N GLU 161.A OE1 no hydrogen 2.966 N/A GLY 160.A N ASN 114.A O no hydrogen 2.720 N/A GLU 161.A N SER 158.A O no hydrogen 2.820 N/A SER 162.A N ASP 143.A OD2 no hydrogen 2.838 N/A SER 162.A OG ASP 143.A OD1 no hydrogen 2.653 N/A ILE 163.A N ILE 112.A O no hydrogen 2.965 N/A CYS 164.A N VAL 141.A O no hydrogen 3.074 N/A CYS 164.A SG ASP 111.A OD1 no hydrogen 3.487 N/A LEU 165.A N GLU 110.A O no hydrogen 2.663 N/A GLY 168.A N HIS 105.A O no hydrogen 2.860 N/A LEU 169.A N PRO 166.A O no hydrogen 3.273 N/A TYR 170.A N TRP 125.A O no hydrogen 2.759 N/A TYR 170.A OH GLU 131.A O no hydrogen 2.494 N/A HIS 171.A N HIS 103.A O no hydrogen 2.799 N/A HIS 171.A ND1 LEU 169.A O no hydrogen 2.938 N/A SER 172.A N GLU 123.A O no hydrogen 3.109 N/A SER 172.A OG THR 100.A O no hydrogen 2.632 N/A PHE 173.A N THR 100.A O no hydrogen 3.281 N/A TRP 174.A N ILE 121.A O no hydrogen 3.026 N/A GLU 176.A N ASN 119.A O no hydrogen 2.762 N/A GLY 178.A N ASP 96.A OD1 no hydrogen 3.232 N/A GLY 178.A N ASP 96.A OD2 no hydrogen 3.053 N/A PHE 179.A N GLU 176.A O no hydrogen 3.056 N/A GLY 180.A N ASP 96.A OD2 no hydrogen 3.178 N/A VAL 182.A N VAL 94.A O no hydrogen 2.809 N/A LEU 183.A N GLY 116.A O no hydrogen 2.757 N/A VAL 184.A N MET 92.A O no hydrogen 2.933 N/A GLY 185.A N ILE 113.A O no hydrogen 2.719 N/A GLU 186.A N LYS 90.A O no hydrogen 2.960 N/A VAL 187.A N ASP 111.A O no hydrogen 3.173 N/A SER 188.A N ALA 88.A O no hydrogen 3.025 N/A SER 188.A OG SER 189.A O no hydrogen 2.752 N/A SER 189.A N ARG 109.A O no hydrogen 2.938 N/A SER 189.A OG ARG 109.A O no hydrogen 3.539 N/A ASN 191.A N ASN 75.A OD1 no hydrogen 2.872 N/A HIS 195.A N ASP 192.A O no hydrogen 3.321 N/A ASP 196.A N ASP 192.A O no hydrogen 2.848 N/A ASN 197.A ND2 ASP 193.A OD1 no hydrogen 3.008 N/A HIS 198.A N PHE 104.A O no hydrogen 2.922 N/A LEU 200.A N MET 102.A O no hydrogen 3.000 N/A ASP 209.A N MET 1.A O no hydrogen 2.834 N/A ASP 211.A N ASP 209.A O no hydrogen 2.946 N/A GLN 215.A N ASN 7.A OD1 no hydrogen 3.007 N/A LEU 218.A N GLU 221.A OE1 no hydrogen 2.959 N/A CYS 219.A N TRP 53.A O no hydrogen 2.671 N/A CYS 219.A SG TRP 53.A O no hydrogen 3.331 N/A GLU 221.A N LEU 218.A O no hydrogen 3.049 N/A TYR 222.A OH LEU 51.A O no hydrogen 2.735 N/A PHE 225.A N TYR 222.A O no hydrogen 2.677 N/A ARG 226.A NH2 ASP 48.A OD1 no hydrogen 2.538 N/A