Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pfs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ASP 113.A OD1 no hydrogen 2.606 N/A THR 2.A OG1 PHE 116.A O no hydrogen 3.176 N/A ARG 3.A N ASP 117.A O no hydrogen 3.041 N/A ARG 3.A NH2 ASP 140.A OD2 no hydrogen 2.763 N/A VAL 4.A N HIS 139.A ND1 no hydrogen 2.822 N/A LEU 5.A N VAL 119.A O no hydrogen 2.733 N/A ALA 6.A N ASP 140.A O no hydrogen 2.774 N/A VAL 7.A N ILE 121.A O no hydrogen 2.799 N/A ALA 8.A N ILE 142.A O no hydrogen 3.164 N/A ASN 9.A ND2 PRO 144.A O no hydrogen 2.853 N/A GLN 10.A N GLN 10.A OE1 no hydrogen 2.681 N/A GLN 10.A NE2 GLY 154.A O no hydrogen 2.773 N/A LYS 11.A N ASN 9.A OD1 no hydrogen 3.047 N/A LYS 14.A NZ ASP 122.A OD1 no hydrogen 2.838 N/A LYS 14.A NZ CYS 123.A O no hydrogen 2.933 N/A THR 15.A OG1 ASP 122.A OD2 no hydrogen 2.664 N/A THR 17.A N ALA 13.A O no hydrogen 2.987 N/A THR 17.A OG1 ALA 13.A O no hydrogen 2.981 N/A THR 17.A OG1 TYR 222.A OH no hydrogen 2.924 N/A VAL 18.A N LYS 14.A O no hydrogen 3.316 N/A ALA 19.A N THR 15.A O no hydrogen 3.126 N/A SER 20.A N THR 16.A O no hydrogen 2.824 N/A SER 20.A OG THR 16.A O no hydrogen 2.823 N/A ILE 21.A N THR 17.A O no hydrogen 3.010 N/A GLY 22.A N VAL 18.A O no hydrogen 2.967 N/A ALA 23.A N ALA 19.A O no hydrogen 3.043 N/A ALA 24.A N SER 20.A O no hydrogen 3.063 N/A LEU 25.A N ILE 21.A O no hydrogen 2.949 N/A THR 26.A N GLY 22.A O no hydrogen 3.000 N/A THR 26.A OG1 GLY 22.A O no hydrogen 2.857 N/A GLU 27.A N ALA 23.A O no hydrogen 2.888 N/A GLN 28.A N ALA 24.A O no hydrogen 3.028 N/A ARG 30.A N LEU 25.A O no hydrogen 3.065 N/A ARG 31.A N ASP 117.A OD2 no hydrogen 2.898 N/A ARG 31.A NE ASP 117.A OD2 no hydrogen 3.522 N/A ARG 31.A NH1 GLY 114.A O no hydrogen 3.141 N/A ARG 31.A NH2 ASP 117.A OD1 no hydrogen 2.768 N/A LEU 33.A N VAL 118.A O no hydrogen 2.931 N/A LEU 34.A N THR 80.A O no hydrogen 2.837 N/A VAL 35.A N ILE 120.A O no hydrogen 2.870 N/A ASP 36.A N LEU 82.A O no hydrogen 2.955 N/A LEU 37.A N ASP 122.A O no hydrogen 3.079 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 3.151 N/A GLN 40.A N ASP 38.A OD1 no hydrogen 2.886 N/A GLY 41.A N ASP 38.A O no hydrogen 2.758 N/A CYS 42.A SG ASP 38.A OD2 no hydrogen 3.915 N/A THR 44.A N ASP 36.A OD2 no hydrogen 2.858 N/A THR 44.A OG1 ASP 36.A OD2 no hydrogen 2.657 N/A PHE 45.A N GLY 41.A O no hydrogen 2.852 N/A SER 46.A N CYS 42.A O no hydrogen 2.876 N/A SER 46.A OG CYS 42.A O no hydrogen 3.216 N/A SER 46.A OG LEU 43.A O no hydrogen 2.706 N/A LEU 47.A N LEU 43.A O no hydrogen 2.996 N/A LEU 47.A N THR 44.A O no hydrogen 3.288 N/A GLY 48.A N PHE 45.A O no hydrogen 2.985 N/A HIS 49.A N THR 44.A O no hydrogen 3.135 N/A HIS 49.A NE2 ARG 74.A O no hydrogen 2.758 N/A ASP 52.A N ASP 50.A OD2 no hydrogen 3.239 N/A LYS 53.A N ASP 50.A O no hydrogen 2.843 N/A LEU 54.A N PRO 51.A O no hydrogen 3.234 N/A SER 57.A N GLU 60.A OE1 no hydrogen 2.844 N/A VAL 58.A N PRO 83.A O no hydrogen 2.834 N/A HIS 59.A N SER 57.A OG no hydrogen 3.143 N/A GLU 60.A N GLU 60.A OE1 no hydrogen 2.882 N/A VAL 61.A N SER 57.A O no hydrogen 3.319 N/A LEU 62.A N VAL 58.A O no hydrogen 2.756 N/A LEU 63.A N HIS 59.A O no hydrogen 3.224 N/A GLY 64.A N VAL 61.A O no hydrogen 3.087 N/A ASP 65.A N GLU 60.A O no hydrogen 2.973 N/A VAL 66.A N GLU 60.A O no hydrogen 3.411 N/A ALA 70.A N GLU 67.A O no hydrogen 2.999 N/A ALA 71.A N PRO 68.A O no hydrogen 2.996 N/A LEU 72.A N SER 69.A O no hydrogen 3.436 N/A VAL 73.A N LEU 81.A O no hydrogen 3.029 N/A THR 75.A OG1 MET 79.A O no hydrogen 2.687 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.710 N/A GLY 78.A N THR 75.A O no hydrogen 3.279 N/A THR 80.A N VAL 32.A O no hydrogen 3.051 N/A LEU 81.A N VAL 73.A O no hydrogen 3.052 N/A LEU 82.A N LEU 34.A O no hydrogen 2.747 N/A ALA 84.A N THR 44.A OG1 no hydrogen 3.068 N/A ASN 85.A ND2 PRO 51.A O no hydrogen 3.022 N/A ASP 87.A N ASN 85.A OD1 no hydrogen 3.100 N/A LEU 88.A N ASN 85.A O no hydrogen 2.884 N/A ALA 89.A N ILE 86.A O no hydrogen 3.060 N/A GLY 90.A N ASP 87.A O no hydrogen 2.720 N/A ALA 91.A N LEU 88.A O no hydrogen 3.027 N/A ALA 93.A N GLY 90.A O no hydrogen 3.092 N/A MET 94.A N GLY 90.A O no hydrogen 2.956 N/A LEU 95.A N ALA 91.A O no hydrogen 2.707 N/A ARG 98.A N LEU 95.A O no hydrogen 3.023 N/A ARG 98.A NH1 LEU 63.A O no hydrogen 3.543 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.653 N/A TYR 103.A N GLY 100.A O no hydrogen 3.306 N/A ALA 104.A N ARG 101.A O no hydrogen 3.467 N/A LEU 105.A N ASN 133.A OD1 no hydrogen 2.965 N/A ARG 107.A N TYR 103.A O no hydrogen 2.965 N/A ALA 108.A N ALA 104.A O no hydrogen 3.124 N/A LEU 109.A N LEU 105.A O no hydrogen 2.885 N/A ALA 110.A N LYS 106.A O no hydrogen 3.165 N/A LYS 111.A N ALA 108.A O no hydrogen 3.254 N/A LYS 111.A NZ GLU 67.A OE2 no hydrogen 2.833 N/A LEU 112.A N LEU 109.A O no hydrogen 2.986 N/A ASP 113.A N ALA 110.A O no hydrogen 3.236 N/A ASP 115.A N LEU 112.A O no hydrogen 2.893 N/A ASP 117.A N ARG 31.A O no hydrogen 2.818 N/A VAL 118.A N ARG 31.A O no hydrogen 3.047 N/A VAL 119.A N ARG 3.A O no hydrogen 2.813 N/A ILE 120.A N LEU 33.A O no hydrogen 2.777 N/A ILE 121.A N LEU 5.A O no hydrogen 2.838 N/A ASP 122.A N VAL 35.A O no hydrogen 2.886 N/A CYS 123.A N VAL 7.A O no hydrogen 3.166 N/A CYS 123.A SG VAL 7.A O no hydrogen 3.776 N/A SER 126.A N PRO 124.A O no hydrogen 2.826 N/A VAL 129.A N GLU 92.A OE2 no hydrogen 3.473 N/A THR 131.A OG1 SER 126.A O no hydrogen 2.769 N/A LEU 132.A N GLY 128.A O no hydrogen 2.949 N/A ASN 133.A N VAL 129.A O no hydrogen 2.840 N/A ASN 133.A ND2 ARG 101.A O no hydrogen 3.006 N/A ASN 133.A ND2 VAL 129.A O no hydrogen 2.945 N/A GLY 134.A N LEU 130.A O no hydrogen 3.117 N/A LEU 135.A N THR 131.A O no hydrogen 2.918 N/A THR 136.A N LEU 132.A O no hydrogen 2.868 N/A THR 136.A OG1 LEU 132.A O no hydrogen 2.598 N/A THR 136.A OG1 THR 169.A OG1 no hydrogen 2.866 N/A ALA 137.A N ASN 133.A O no hydrogen 3.148 N/A ALA 137.A N GLY 134.A O no hydrogen 3.313 N/A ALA 138.A N LEU 135.A O no hydrogen 3.401 N/A HIS 139.A N VAL 4.A O no hydrogen 2.929 N/A ASP 140.A N VAL 4.A O no hydrogen 3.204 N/A VAL 141.A N LYS 174.A O no hydrogen 2.848 N/A ILE 142.A N ALA 6.A O no hydrogen 3.140 N/A VAL 143.A N GLY 177.A O no hydrogen 3.017 N/A LEU 145.A N LEU 179.A O no hydrogen 2.705 N/A GLN 146.A NE2 THR 149.A O no hydrogen 3.452 N/A CYS 147.A N THR 181.A O no hydrogen 3.059 N/A CYS 147.A SG THR 181.A O no hydrogen 3.445 N/A GLU 148.A N GLN 146.A OE1 no hydrogen 2.968 N/A THR 149.A N GLN 146.A OE1 no hydrogen 3.196 N/A VAL 155.A N HIS 152.A O no hydrogen 3.291 N/A PHE 158.A N GLY 154.A O no hydrogen 2.953 N/A LEU 159.A N VAL 155.A O no hydrogen 2.932 N/A ARG 160.A N GLY 156.A O no hydrogen 2.975 N/A ARG 160.A NE ASP 164.A OD2 no hydrogen 3.510 N/A THR 161.A N GLN 157.A O no hydrogen 3.022 N/A THR 161.A OG1 GLN 157.A O no hydrogen 3.097 N/A ILE 162.A N PHE 158.A O no hydrogen 3.005 N/A SER 163.A N LEU 159.A O no hydrogen 2.937 N/A SER 163.A OG GLN 167.A OE1 no hydrogen 3.548 N/A ASP 164.A N ARG 160.A O no hydrogen 2.958 N/A VAL 165.A N THR 161.A O no hydrogen 2.984 N/A GLN 166.A N ILE 162.A O no hydrogen 3.018 N/A GLN 166.A NE2 LEU 173.A O no hydrogen 2.912 N/A GLN 167.A N SER 163.A O no hydrogen 3.196 N/A GLN 167.A N ASP 164.A O no hydrogen 3.173 N/A ILE 168.A N ASP 164.A O no hydrogen 3.260 N/A ILE 168.A N VAL 165.A O no hydrogen 3.286 N/A THR 169.A N VAL 165.A O no hydrogen 3.020 N/A THR 169.A OG1 THR 136.A OG1 no hydrogen 2.866 N/A ASN 170.A N VAL 165.A O no hydrogen 2.971 N/A ASN 170.A ND2 LEU 135.A O no hydrogen 2.976 N/A ASN 170.A ND2 ALA 138.A O no hydrogen 2.844 N/A LEU 173.A N ASN 170.A O no hydrogen 3.272 N/A LYS 174.A N HIS 139.A O no hydrogen 2.772 N/A LEU 176.A N VAL 141.A O no hydrogen 2.863 N/A ALA 178.A N PRO 204.A O no hydrogen 2.784 N/A LEU 179.A N VAL 143.A O no hydrogen 2.811 N/A THR 181.A N LEU 145.A O no hydrogen 2.771 N/A TYR 183.A N ILE 210.A O no hydrogen 3.031 N/A ASP 184.A N SER 190.A OG no hydrogen 2.989 N/A ARG 186.A N ASP 184.A OD1 no hydrogen 2.916 N/A ARG 186.A NE ASP 184.A OD1 no hydrogen 2.985 N/A ARG 186.A NE ASP 184.A OD2 no hydrogen 3.382 N/A ARG 186.A NH2 ASP 184.A OD2 no hydrogen 2.863 N/A THR 187.A OG1 HIS 189.A ND1.B no hydrogen 2.842 N/A THR 188.A OG1 ASP 192.A OD2 no hydrogen 3.526 N/A HIS 189.A N THR 187.A OG1 no hydrogen 3.331 N/A HIS 189.A ND1.B THR 187.A OG1 no hydrogen 2.842 N/A SER 190.A OG CYS 147.A O no hydrogen 2.796 N/A SER 190.A OG ASP 184.A O no hydrogen 3.534 N/A ASP 192.A N THR 188.A O no hydrogen 2.844 N/A VAL 193.A N HIS 189.A O no hydrogen 2.951 N/A LEU 194.A N SER 190.A O no hydrogen 3.129 N/A LEU 195.A N ARG 191.A O no hydrogen 2.903 N/A ASP 196.A N ASP 192.A O no hydrogen 3.052 N/A VAL 197.A N VAL 193.A O no hydrogen 2.964 N/A ALA 198.A N LEU 194.A O no hydrogen 2.980 N/A ASP 199.A N LEU 195.A O no hydrogen 3.153 N/A ARG 200.A N ASP 196.A O no hydrogen 2.963 N/A ARG 200.A N VAL 197.A O no hydrogen 3.096 N/A ARG 200.A NE ASP 196.A OD2 no hydrogen 2.961 N/A ARG 200.A NH2 ASP 196.A OD2 no hydrogen 3.568 N/A TYR 201.A N VAL 197.A O no hydrogen 3.048 N/A TYR 201.A OH HIS 152.A O no hydrogen 3.311 N/A LEU 206.A N ALA 178.A O no hydrogen 2.836 N/A ALA 207.A N PRO 240.A O no hydrogen 3.042 N/A ILE 210.A N PRO 180.A O no hydrogen 2.874 N/A ARG 212.A N TYR 183.A O no hydrogen 3.073 N/A ILE 220.A N SER 216.A O no hydrogen 2.971 N/A ALA 221.A N LYS 217.A O no hydrogen 3.081 N/A TYR 222.A N GLY 218.A O no hydrogen 2.957 N/A TYR 222.A OH THR 17.A OG1 no hydrogen 2.924 N/A ARG 223.A N ALA 219.A O no hydrogen 2.906 N/A ARG 223.A NE GLU 27.A OE1 no hydrogen 3.282 N/A ARG 223.A NH2 ARG 214.A O no hydrogen 2.214 N/A GLU 224.A N ILE 220.A O no hydrogen 2.826 N/A PHE 225.A N ALA 221.A O no hydrogen 2.857 N/A PHE 225.A N TYR 222.A O no hydrogen 3.216 N/A ALA 226.A N TYR 222.A O no hydrogen 2.826 N/A ASP 227.A N ARG 223.A O no hydrogen 3.051 N/A ALA 228.A N GLU 224.A O no hydrogen 3.387 N/A LEU 229.A N PHE 225.A O no hydrogen 3.043 N/A LEU 230.A N ALA 226.A O no hydrogen 3.035 N/A ARG 231.A N ASP 227.A O no hydrogen 3.026 N/A HIS 232.A N ALA 228.A O no hydrogen 2.831 N/A HIS 232.A ND1 ARG 237.A O no hydrogen 2.792 N/A TRP 233.A N LEU 229.A O no hydrogen 2.932 N/A TRP 233.A NE1 ASP 140.A OD2 no hydrogen 2.734 N/A LYS 234.A N LEU 230.A O no hydrogen 2.912 N/A SER 235.A N ARG 231.A O no hydrogen 2.952 N/A SER 235.A OG ARG 231.A O no hydrogen 2.927 N/A GLY 236.A N HIS 232.A O no hydrogen 3.013 N/A THR 241.A OG1 THR 243.A O no hydrogen 2.459 N/A PHE 242.A N VAL 205.A O no hydrogen 2.744 N/A