Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pkm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 HIS 3.A NE2 no hydrogen 2.606 N/A ARG 7.A NH1 VAL 225.A O no hydrogen 3.309 N/A ARG 7.A NH2 VAL 225.A O no hydrogen 3.352 N/A PHE 8.A N PHE 78.A O no hydrogen 2.626 N/A LEU 9.A N LYS 112.A O no hydrogen 2.772 N/A ILE 10.A N PHE 76.A O no hydrogen 3.006 N/A ARG 11.A N GLU 110.A O no hydrogen 2.909 N/A LEU 12.A N GLY 74.A O no hydrogen 2.850 N/A VAL 13.A N TYR 107.A O no hydrogen 2.974 N/A LYS 16.A N GLU 104.A OE2 no hydrogen 3.370 N/A VAL 17.A N PHE 68.A O no hydrogen 3.399 N/A TYR 19.A OH HIS 65.A ND1 no hydrogen 2.984 N/A TYR 24.A N HIS 21.A O no hydrogen 3.222 N/A GLY 27.A N TYR 24.A O no hydrogen 3.301 N/A ILE 29.A N LEU 25.A O no hydrogen 3.409 N/A TYR 30.A N GLN 26.A O no hydrogen 3.486 N/A ASN 31.A N GLY 27.A O no hydrogen 3.063 N/A ILE 33.A N TYR 30.A O no hydrogen 3.082 N/A LYS 34.A N TYR 30.A O no hydrogen 2.917 N/A LYS 34.A NZ THR 42.A OG1 no hydrogen 2.871 N/A SER 35.A N ASN 31.A O no hydrogen 3.110 N/A ASN 37.A N ILE 33.A O no hydrogen 2.711 N/A ALA 41.A N ASN 37.A O no hydrogen 2.999 N/A THR 42.A N PRO 38.A O no hydrogen 3.458 N/A THR 42.A OG1 PRO 38.A O no hydrogen 3.113 N/A TYR 43.A N LYS 39.A O no hydrogen 3.061 N/A LEU 44.A N LEU 40.A O no hydrogen 3.234 N/A HIS 45.A N THR 42.A O no hydrogen 3.081 N/A LYS 51.A NZ LEU 44.A O no hydrogen 3.013 N/A THR 54.A N SER 79.A O no hydrogen 2.796 N/A THR 54.A OG1 ASN 218.A O no hydrogen 3.104 N/A TYR 55.A OH SER 219.A O no hydrogen 3.120 N/A SER 56.A N TYR 77.A O no hydrogen 2.666 N/A SER 56.A OG LEU 57.A O no hydrogen 2.611 N/A SER 56.A OG TYR 77.A O no hydrogen 3.453 N/A MET 59.A N PHE 75.A O no hydrogen 3.330 N/A PHE 68.A N VAL 17.A O no hydrogen 2.583 N/A LEU 69.A N GLU 64.A O no hydrogen 3.307 N/A PHE 75.A N MET 59.A O no hydrogen 3.447 N/A PHE 76.A N ILE 10.A O no hydrogen 3.307 N/A TYR 77.A N SER 56.A OG no hydrogen 2.734 N/A PHE 78.A N PHE 8.A O no hydrogen 2.808 N/A SER 79.A N THR 54.A O no hydrogen 2.769 N/A SER 79.A OG SER 6.A O no hydrogen 2.958 N/A SER 79.A OG GLU 211.A O no hydrogen 2.714 N/A THR 80.A N SER 6.A O no hydrogen 3.375 N/A THR 80.A OG1 LEU 52.A O no hydrogen 3.220 N/A CYS 81.A N LEU 52.A O no hydrogen 3.481 N/A CYS 81.A SG LEU 52.A O no hydrogen 3.728 N/A VAL 82.A N THR 80.A OG1 no hydrogen 3.254 N/A GLU 84.A N GLU 84.A OE2 no hydrogen 2.885 N/A ILE 85.A N VAL 82.A O no hydrogen 2.969 N/A ALA 86.A N VAL 82.A O no hydrogen 3.478 N/A GLU 87.A N PRO 83.A O no hydrogen 2.949 N/A ALA 88.A N GLU 84.A O no hydrogen 2.889 N/A LEU 89.A N ILE 85.A O no hydrogen 3.173 N/A VAL 90.A N ALA 86.A O no hydrogen 2.706 N/A ASN 91.A N GLU 87.A O no hydrogen 2.908 N/A LEU 94.A N VAL 90.A O no hydrogen 3.122 N/A MET 95.A N ASN 91.A O no hydrogen 2.934 N/A ARG 100.A NH2 ASP 103.A OD1 no hydrogen 2.777 N/A HIS 109.A N ARG 11.A O no hydrogen 2.827 N/A LYS 112.A N LEU 9.A O no hydrogen 2.647 N/A LEU 114.A N ARG 7.A O no hydrogen 3.220 N/A GLY 122.A N ALA 199.A O no hydrogen 2.636 N/A SER 123.A N PHE 120.A O no hydrogen 2.967 N/A PHE 125.A N PHE 197.A O no hydrogen 2.845 N/A VAL 126.A N LYS 226.A O no hydrogen 3.011 N/A THR 127.A N LEU 195.A O no hydrogen 2.817 N/A THR 127.A OG1 HIS 194.A ND1 no hydrogen 2.364 N/A LEU 128.A N MET 224.A O no hydrogen 2.710 N/A SER 129.A N MET 224.A O no hydrogen 3.032 N/A ILE 131.A N TRP 193.A O no hydrogen 2.872 N/A VAL 135.A N TYR 137.A O no hydrogen 3.080 N/A TYR 137.A OH GLU 143.A OE1 no hydrogen 3.232 N/A TYR 137.A OH GLU 143.A OE2 no hydrogen 3.263 N/A VAL 139.A N VAL 133.A O no hydrogen 2.860 N/A GLU 143.A N PRO 140.A O no hydrogen 2.959 N/A LYS 144.A NZ GLU 143.A OE2 no hydrogen 3.111 N/A PHE 146.A N GLU 143.A O no hydrogen 3.081 N/A TYR 147.A OH PRO 141.A O no hydrogen 2.896 N/A SER 148.A OG GLU 145.A O no hydrogen 2.924 N/A ILE 149.A N GLU 145.A O no hydrogen 3.098 N/A ILE 150.A N PHE 146.A O no hydrogen 3.245 N/A LYS 151.A N TYR 147.A O no hydrogen 3.139 N/A LYS 151.A NZ SER 168.A O no hydrogen 3.115 N/A ASP 152.A N SER 148.A O no hydrogen 3.117 N/A ASP 153.A N ILE 149.A O no hydrogen 2.999 N/A GLN 155.A N LYS 151.A O no hydrogen 2.944 N/A ASP 156.A N ASP 152.A O no hydrogen 2.946 N/A LYS 157.A N ASP 153.A O no hydrogen 2.817 N/A LYS 157.A NZ ASP 153.A OD1 no hydrogen 3.368 N/A LYS 157.A NZ ASP 153.A OD2 no hydrogen 2.627 N/A LYS 157.A NZ GLY 215.A O no hydrogen 2.882 N/A LYS 157.A NZ ASN 218.A OD1 no hydrogen 2.502 N/A TYR 158.A N LEU 154.A O no hydrogen 2.668 N/A VAL 159.A N GLN 155.A O no hydrogen 3.333 N/A MET 160.A N ASP 156.A O no hydrogen 2.736 N/A ALA 161.A N LYS 157.A O no hydrogen 3.062 N/A TYR 162.A N TYR 158.A O no hydrogen 2.522 N/A GLY 163.A N VAL 159.A O no hydrogen 2.595 N/A GLU 171.A N TYR 200.A O no hydrogen 3.084 N/A GLU 173.A N ARG 198.A O no hydrogen 2.691 N/A LEU 175.A N VAL 196.A O no hydrogen 2.843 N/A LYS 178.A N HIS 194.A O no hydrogen 2.733 N/A PHE 182.A N GLN 190.A O no hydrogen 3.086 N/A ARG 183.A NE PRO 186.A O no hydrogen 3.167 N/A LYS 185.A NZ ASN 20.A O no hydrogen 3.473 N/A LYS 185.A NZ ARG 183.A O no hydrogen 2.443 N/A THR 191.A N ASP 138.A OD1 no hydrogen 2.481 N/A THR 191.A OG1 ASP 138.A O no hydrogen 3.379 N/A THR 191.A OG1 ASP 138.A OD1 no hydrogen 2.628 N/A ALA 192.A N LYS 180.A O no hydrogen 2.889 N/A TRP 193.A N ILE 131.A O no hydrogen 2.528 N/A HIS 194.A N LYS 178.A O no hydrogen 2.729 N/A HIS 194.A ND1 THR 127.A OG1 no hydrogen 2.364 N/A LEU 195.A N THR 127.A OG1 no hydrogen 3.165 N/A VAL 196.A N ILE 176.A O no hydrogen 2.988 N/A PHE 197.A N PHE 125.A O no hydrogen 2.848 N/A ARG 198.A N GLU 173.A O no hydrogen 2.632 N/A ARG 198.A NE GLY 122.A O no hydrogen 2.791 N/A ARG 198.A NH2 GLY 122.A O no hydrogen 2.627 N/A TYR 200.A N GLU 171.A O no hydrogen 3.090 N/A TYR 200.A OH GLU 173.A OE1 no hydrogen 3.354 N/A GLY 201.A N ASN 121.A OD1 no hydrogen 3.282 N/A ASN 202.A N GLU 169.A O no hydrogen 3.071 N/A LEU 205.A N ASN 202.A OD1 no hydrogen 3.256 N/A LEU 206.A N ASN 202.A O no hydrogen 3.422 N/A LYS 207.A N ASP 203.A O no hydrogen 2.964 N/A LYS 207.A NZ HIS 3.A O no hydrogen 3.003 N/A LYS 207.A NZ HIS 4.A O no hydrogen 3.382 N/A LYS 207.A NZ GLU 116.A OE2 no hydrogen 2.852 N/A LYS 207.A NZ GLU 211.A OE1 no hydrogen 3.370 N/A VAL 208.A N ASP 204.A O no hydrogen 3.297 N/A VAL 208.A N LEU 205.A O no hydrogen 3.235 N/A TYR 210.A N LEU 206.A O no hydrogen 2.979 N/A GLU 211.A N LYS 207.A O no hydrogen 3.058 N/A VAL 212.A N VAL 208.A O no hydrogen 2.733 N/A PHE 214.A N GLY 223.A O no hydrogen 2.565 N/A GLU 216.A N ALA 132.A O no hydrogen 3.254 N/A ASN 218.A N GLU 216.A O no hydrogen 2.819 N/A ASN 218.A ND2 GLY 215.A O no hydrogen 3.209 N/A ASN 218.A ND2 PHE 222.A O no hydrogen 3.161 N/A LEU 220.A N LYS 217.A O no hydrogen 2.357 N/A GLY 223.A N PRO 130.A O no hydrogen 2.741 N/A MET 224.A N SER 129.A OG no hydrogen 2.891 N/A LYS 226.A N VAL 126.A O no hydrogen 2.840 N/A GLU 228.A N THR 124.A O no hydrogen 3.070 N/A