Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pkw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 GLU 24.A OE2 no hydrogen 3.231 N/A ILE 2.A N GLU 24.A O no hydrogen 3.101 N/A THR 7.A N ASP 5.A OD1 no hydrogen 2.946 N/A THR 7.A OG1 ASP 5.A OD1 no hydrogen 2.760 N/A THR 10.A OG1 THR 10.A O no hydrogen 2.592 N/A ALA 13.A N ASP 11.A OD1 no hydrogen 2.881 N/A VAL 16.A N GLY 12.A O no hydrogen 3.063 N/A LEU 17.A N ALA 13.A O no hydrogen 2.887 N/A ALA 18.A N LEU 14.A O no hydrogen 3.064 N/A ALA 19.A N SER 15.A O no hydrogen 3.080 N/A ARG 20.A N VAL 16.A O no hydrogen 2.639 N/A ARG 20.A NH2 ARG 20.A O no hydrogen 2.949 N/A TRP 21.A N LEU 17.A O no hydrogen 2.949 N/A GLY 22.A N ALA 19.A O no hydrogen 3.360 N/A LEU 23.A N ALA 18.A O no hydrogen 2.873 N/A ASP 26.A N ILE 2.A O no hydrogen 2.856 N/A ASN 29.A N ASP 26.A O no hydrogen 2.915 N/A ASN 29.A ND2 ASP 26.A OD2 no hydrogen 2.952 N/A LEU 32.A N CYS 3.A O no hydrogen 2.823 N/A VAL 33.A N GLU 39.A O no hydrogen 2.786 N/A THR 34.A OG1 HIS 37.A O no hydrogen 2.970 N/A GLN 36.A N THR 34.A OG1 no hydrogen 3.122 N/A HIS 37.A N THR 34.A OG1 no hydrogen 2.826 N/A HIS 37.A NE2 GLU 39.A OE1 no hydrogen 2.696 N/A LEU 38.A N ASP 122.A OD2 no hydrogen 2.911 N/A GLU 39.A N VAL 33.A O no hydrogen 2.816 N/A LEU 40.A N ILE 51.A O no hydrogen 2.785 N/A ARG 41.A N ALA 31.A O no hydrogen 3.026 N/A ARG 41.A NE GLU 39.A OE2 no hydrogen 3.040 N/A ARG 41.A NH1 GLU 6.A OE2 no hydrogen 2.842 N/A ARG 41.A NH2 GLU 6.A OE1 no hydrogen 2.973 N/A ARG 41.A NH2 GLU 6.A OE2 no hydrogen 3.513 N/A ARG 41.A NH2 GLU 39.A OE2 no hydrogen 3.401 N/A LYS 42.A NZ ASP 44.A OD1 no hydrogen 2.656 N/A LYS 42.A NZ ASP 44.A OD2 no hydrogen 3.168 N/A LYS 42.A NZ GLU 45.A OE1 no hydrogen 2.857 N/A ARG 43.A NH1 GLU 27.A O no hydrogen 2.491 N/A ARG 43.A NH1 ASN 29.A O no hydrogen 2.970 N/A GLU 45.A N LYS 42.A O no hydrogen 2.601 N/A LYS 47.A NZ GLU 45.A OE2 no hydrogen 2.614 N/A LEU 48.A N GLU 45.A O no hydrogen 3.216 N/A GLY 49.A N PRO 46.A O no hydrogen 2.816 N/A ILE 51.A N LEU 40.A O no hydrogen 2.805 N/A VAL 56.A N ASP 54.A OD1 no hydrogen 3.244 N/A GLY 57.A N ASP 54.A OD1 no hydrogen 3.172 N/A HIS 61.A N GLY 58.A O no hydrogen 3.328 N/A ARG 62.A N ALA 59.A O no hydrogen 2.796 N/A ARG 62.A NE GLU 71.A OE1 no hydrogen 3.407 N/A ARG 62.A NE GLU 71.A OE2 no hydrogen 2.939 N/A ARG 62.A NH2 GLU 71.A OE1 no hydrogen 2.760 N/A ARG 62.A NH2 ASP 97.A OD1 no hydrogen 3.016 N/A ARG 63.A N ALA 60.A O no hydrogen 3.259 N/A LYS 64.A N HIS 61.A O no hydrogen 2.974 N/A PHE 65.A N HIS 61.A O no hydrogen 2.892 N/A GLY 66.A N ARG 62.A O no hydrogen 2.704 N/A ARG 69.A NH2 GLY 81.A O no hydrogen 2.911 N/A GLY 70.A N GLY 67.A O no hydrogen 2.599 N/A GLU 71.A N GLY 68.A O no hydrogen 2.860 N/A LYS 75.A N GLU 71.A O no hydrogen 3.044 N/A LYS 75.A NZ GLY 70.A O no hydrogen 3.341 N/A ALA 76.A N ALA 72.A O no hydrogen 2.794 N/A VAL 77.A N VAL 73.A O no hydrogen 3.025 N/A GLY 78.A N LYS 75.A O no hydrogen 3.160 N/A ILE 79.A N ALA 74.A O no hydrogen 3.111 N/A TYR 83.A N LYS 80.A O no hydrogen 3.081 N/A VAL 87.A N ARG 107.A O no hydrogen 2.861 N/A VAL 88.A N VAL 161.A O no hydrogen 3.015 N/A ASP 89.A N ARG 109.A O no hydrogen 2.805 N/A ALA 90.A N TYR 163.A O no hydrogen 3.011 N/A THR 91.A N ASP 89.A OD1 no hydrogen 3.087 N/A THR 91.A OG1 ASP 89.A OD1 no hydrogen 3.517 N/A ALA 92.A N LEU 110.A O no hydrogen 3.215 N/A GLY 93.A N GLU 111.A OE1 no hydrogen 3.312 N/A GLY 95.A N ALA 92.A O no hydrogen 3.168 N/A PHE 99.A N GLY 95.A O no hydrogen 2.910 N/A VAL 100.A N ARG 96.A O no hydrogen 3.203 N/A LEU 101.A N ASP 97.A O no hydrogen 3.102 N/A ALA 102.A N ALA 98.A O no hydrogen 3.037 N/A SER 103.A N PHE 99.A O no hydrogen 2.816 N/A SER 103.A OG PHE 99.A O no hydrogen 2.808 N/A VAL 104.A N VAL 100.A O no hydrogen 3.158 N/A GLY 105.A N ALA 102.A O no hydrogen 2.916 N/A CYS 106.A N LEU 101.A O no hydrogen 3.007 N/A CYS 106.A SG PRO 85.A O no hydrogen 3.404 N/A VAL 108.A N ARG 140.A O no hydrogen 2.596 N/A ARG 109.A N VAL 87.A O no hydrogen 2.916 N/A ARG 109.A NH1 PRO 157.A O no hydrogen 3.218 N/A ARG 109.A NH2 PRO 157.A O no hydrogen 3.183 N/A GLU 111.A N ILE 144.A O no hydrogen 2.949 N/A ARG 112.A NH1 ASP 191.A OD1 no hydrogen 3.472 N/A ARG 112.A NH1 ASP 191.A OD2 no hydrogen 2.962 N/A ARG 112.A NH2 ASP 189.A OD1 no hydrogen 2.989 N/A ARG 112.A NH2 ASP 191.A OD1 no hydrogen 3.021 N/A ASN 113.A N GLU 111.A OE2 no hydrogen 2.711 N/A VAL 116.A N ASN 113.A OD1 no hydrogen 3.095 N/A ALA 117.A N ASN 113.A O no hydrogen 2.903 N/A ALA 118.A N PRO 114.A O no hydrogen 3.024 N/A LEU 119.A N VAL 115.A O no hydrogen 2.962 N/A LEU 120.A N VAL 116.A O no hydrogen 2.801 N/A ASP 121.A N ALA 117.A O no hydrogen 2.657 N/A ASP 122.A N ALA 118.A O no hydrogen 3.025 N/A GLY 123.A N LEU 119.A O no hydrogen 3.100 N/A LEU 124.A N LEU 120.A O no hydrogen 2.901 N/A THR 125.A N ASP 121.A O no hydrogen 3.038 N/A THR 125.A OG1 ASP 121.A O no hydrogen 3.130 N/A ARG 126.A N ASP 122.A O no hydrogen 3.257 N/A ARG 126.A NE ASP 122.A OD2 no hydrogen 2.943 N/A ARG 126.A NH1 VAL 53.A O no hydrogen 2.859 N/A ARG 126.A NH2 VAL 53.A O no hydrogen 2.743 N/A ARG 126.A NH2 ASP 122.A OD2 no hydrogen 2.704 N/A GLY 127.A N GLY 123.A O no hydrogen 2.884 N/A TYR 128.A N LEU 124.A O no hydrogen 2.606 N/A TYR 128.A OH LEU 141.A O no hydrogen 2.737 N/A ALA 129.A N THR 125.A O no hydrogen 3.141 N/A ASP 130.A N GLY 127.A O no hydrogen 3.113 N/A ASP 132.A N ASP 130.A OD2 no hydrogen 2.959 N/A ILE 133.A N ASP 130.A OD2 no hydrogen 2.746 N/A LEU 137.A N ILE 133.A O no hydrogen 2.831 N/A GLN 138.A N GLY 134.A O no hydrogen 3.435 N/A GLN 138.A NE2 GLY 134.A O no hydrogen 2.995 N/A GLU 139.A N TRP 136.A O no hydrogen 3.105 N/A ARG 140.A N TRP 136.A O no hydrogen 2.851 N/A ARG 140.A NE ALA 102.A O no hydrogen 2.721 N/A ARG 140.A NH2 ALA 102.A O no hydrogen 2.869 N/A LEU 141.A N LEU 137.A O no hydrogen 2.800 N/A GLN 142.A N VAL 108.A O no hydrogen 2.952 N/A GLN 142.A NE2 GLN 138.A O no hydrogen 3.399 N/A ALA 146.A N GLU 111.A O no hydrogen 2.942 N/A SER 148.A OG ALA 90.A O no hydrogen 2.519 N/A LEU 149.A N SER 147.A OG no hydrogen 3.302 N/A ALA 151.A N SER 147.A O no hydrogen 2.967 N/A ILE 155.A N LEU 152.A O no hydrogen 3.084 N/A ARG 158.A NH1 THR 240.A O no hydrogen 2.946 N/A ARG 158.A NH1 PRO 241.A O no hydrogen 3.118 N/A ARG 158.A NH2 LEU 202.A O no hydrogen 2.784 N/A ARG 158.A NH2 THR 240.A O no hydrogen 2.941 N/A VAL 161.A N ASP 86.A O no hydrogen 3.196 N/A VAL 162.A N ARG 206.A O no hydrogen 2.923 N/A TYR 163.A N VAL 88.A O no hydrogen 2.844 N/A TYR 163.A OH ASP 97.A OD2 no hydrogen 2.863 N/A LEU 164.A N VAL 208.A O no hydrogen 2.791 N/A ASP 165.A N THR 91.A OG1 no hydrogen 2.734 N/A HIS 169.A N PHE 167.A O no hydrogen 2.660 N/A ALA 174.A N GLN 171.A O no hydrogen 3.127 N/A LEU 175.A N LYS 172.A O no hydrogen 3.207 N/A LYS 177.A NZ GLU 179.A OE2 no hydrogen 3.182 N/A ARG 180.A NH1 VAL 176.A O no hydrogen 3.244 N/A VAL 181.A N LYS 178.A O no hydrogen 2.781 N/A PHE 182.A N GLU 179.A O no hydrogen 3.098 N/A SER 184.A N VAL 181.A O no hydrogen 2.958 N/A SER 184.A OG ARG 180.A O no hydrogen 2.665 N/A LEU 185.A N PHE 182.A O no hydrogen 3.021 N/A VAL 186.A N PHE 182.A O no hydrogen 3.113 N/A ALA 192.A N ASP 189.A O no hydrogen 2.957 N/A GLY 194.A N ASP 191.A O no hydrogen 3.154 N/A LEU 195.A N ALA 192.A O no hydrogen 3.008 N/A ALA 199.A N LEU 195.A O no hydrogen 3.064 N/A ARG 200.A N LEU 196.A O no hydrogen 2.913 N/A ARG 200.A N GLU 197.A O no hydrogen 3.076 N/A ARG 200.A NE ALA 238.A O no hydrogen 3.122 N/A GLN 201.A N GLU 197.A O no hydrogen 3.293 N/A LEU 202.A N PRO 198.A O no hydrogen 3.227 N/A ALA 203.A N ALA 199.A O no hydrogen 3.240 N/A THR 204.A N PRO 159.A O no hydrogen 3.009 N/A THR 204.A OG1 PRO 159.A O no hydrogen 3.466 N/A LYS 205.A N GLN 160.A O no hydrogen 2.908 N/A ARG 206.A N GLN 160.A O no hydrogen 2.850 N/A ARG 206.A NH1 ALA 76.A O no hydrogen 2.790 N/A VAL 207.A N TYR 237.A O no hydrogen 3.030 N/A VAL 208.A N VAL 162.A O no hydrogen 2.949 N/A VAL 209.A N ASP 235.A O no hydrogen 2.927 N/A LYS 210.A N LEU 164.A O no hydrogen 2.836 N/A ARG 211.A N ARG 233.A O no hydrogen 2.803 N/A ARG 211.A NE LYS 210.A O no hydrogen 3.253 N/A ARG 211.A NH1 PRO 216.A O no hydrogen 3.320 N/A ASP 213.A N GLY 231.A O no hydrogen 3.043 N/A ALA 215.A N PRO 212.A O no hydrogen 3.079 N/A ALA 219.A N ASP 193.A OD1 no hydrogen 2.848 N/A ASP 220.A N PRO 217.A O no hydrogen 2.979 N/A VAL 221.A N LEU 218.A O no hydrogen 3.047 N/A THR 223.A OG1 ASN 225.A O no hydrogen 3.526 N/A THR 223.A OG1 ILE 236.A O no hydrogen 2.699 N/A ASN 225.A N THR 223.A OG1 no hydrogen 3.214 N/A ILE 227.A N PHE 234.A O no hydrogen 3.121 N/A THR 229.A N HIS 232.A O no hydrogen 2.778 N/A THR 229.A OG1 HIS 232.A O no hydrogen 3.526 N/A ARG 233.A N ARG 211.A O no hydrogen 2.828 N/A ARG 233.A NE ASP 235.A OD1 no hydrogen 2.786 N/A ARG 233.A NH1 ALA 215.A O no hydrogen 2.917 N/A ARG 233.A NH2 ALA 215.A O no hydrogen 2.905 N/A ARG 233.A NH2 ASP 235.A OD2 no hydrogen 3.204 N/A PHE 234.A N ILE 227.A O no hydrogen 2.937 N/A ASP 235.A N VAL 209.A O no hydrogen 2.928 N/A ILE 236.A N ASN 225.A O no hydrogen 2.782 N/A TYR 237.A N VAL 207.A O no hydrogen 2.922 N/A TYR 237.A OH VAL 221.A O no hydrogen 2.677 N/A THR 240.A N ALA 203.A O no hydrogen 2.672 N/A THR 240.A OG1 ARG 200.A O no hydrogen 2.707 N/A