Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k03_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 GLU 4.A OE1 no hydrogen 3.447 N/A GLN 5.A N THR 2.A OG1 no hydrogen 3.205 N/A ARG 6.A N THR 2.A O no hydrogen 3.255 N/A ILE 7.A N LYS 3.A O no hydrogen 2.888 N/A LEU 8.A N GLU 4.A O no hydrogen 2.910 N/A ARG 9.A N GLN 5.A O no hydrogen 2.891 N/A TYR 10.A N ARG 6.A O no hydrogen 3.071 N/A VAL 11.A N ILE 7.A O no hydrogen 2.944 N/A GLN 12.A N LEU 8.A O no hydrogen 2.988 N/A GLN 13.A N ARG 9.A O no hydrogen 3.103 N/A GLN 13.A N TYR 10.A O no hydrogen 3.140 N/A ASN 14.A N TYR 10.A O no hydrogen 2.980 N/A ASN 14.A N VAL 11.A O no hydrogen 3.322 N/A ASN 14.A ND2 TYR 10.A O no hydrogen 2.811 N/A ALA 15.A N VAL 11.A O no hydrogen 2.914 N/A LYS 16.A N SER 22.A OG.A no hydrogen 2.875 N/A LYS 16.A N SER 22.A OG.B no hydrogen 3.043 N/A GLY 18.A N PHE 103.A O no hydrogen 2.885 N/A ASP 19.A N LYS 16.A O no hydrogen 3.136 N/A GLN 21.A NE2 GLU 25.A OE2 no hydrogen 3.217 N/A SER 22.A N ASP 19.A O no hydrogen 2.995 N/A SER 22.A N ASP 19.A OD1 no hydrogen 3.201 N/A SER 22.A OG.A LYS 16.A O no hydrogen 3.193 N/A SER 22.A OG.A ASP 19.A O no hydrogen 2.835 N/A VAL 23.A N ASP 19.A O no hydrogen 3.192 N/A LEU 24.A N PRO 20.A O no hydrogen 3.060 N/A GLU 25.A N GLN 21.A O no hydrogen 2.992 N/A ALA 26.A N SER 22.A O no hydrogen 2.999 N/A ILE 27.A N VAL 23.A O no hydrogen 2.986 N/A ASP 28.A N LEU 24.A O no hydrogen 2.869 N/A THR 29.A N GLU 25.A O no hydrogen 2.687 N/A THR 29.A OG1 GLU 25.A O no hydrogen 2.903 N/A TYR 30.A N ALA 26.A O no hydrogen 2.917 N/A CYS 31.A N ILE 27.A O no hydrogen 3.039 N/A CYS 31.A SG ILE 27.A O no hydrogen 3.421 N/A THR 32.A N ASP 28.A O no hydrogen 3.013 N/A THR 32.A OG1 ASP 28.A O no hydrogen 2.871 N/A GLN 33.A N THR 29.A O no hydrogen 2.873 N/A LYS 34.A N TYR 30.A O no hydrogen 2.850 N/A GLU 35.A N THR 32.A O no hydrogen 2.823 N/A TRP 36.A N CYS 31.A O no hydrogen 2.768 N/A LYS 44.A NZ ASP 167.A OD1 no hydrogen 2.881 N/A LYS 44.A NZ ASP 167.A OD2 no hydrogen 3.389 N/A LYS 44.A NZ ASP 203.A OD2 no hydrogen 3.176 N/A GLY 45.A N GLY 41.A O no hydrogen 2.910 N/A GLN 46.A N ASP 42.A O no hydrogen 2.753 N/A GLN 46.A NE2 ASP 42.A OD2 no hydrogen 3.121 N/A ILE 47.A N ALA 43.A O no hydrogen 3.366 N/A MET 48.A N LYS 44.A O no hydrogen 2.931 N/A ASP 49.A N GLY 45.A O no hydrogen 2.862 N/A ALA 50.A N GLN 46.A O no hydrogen 3.154 N/A VAL 51.A N ILE 47.A O no hydrogen 3.132 N/A ILE 52.A N MET 48.A O no hydrogen 2.954 N/A ARG 53.A N ASP 49.A O no hydrogen 2.816 N/A GLU 54.A N ALA 50.A O no hydrogen 2.772 N/A TYR 55.A N VAL 51.A O no hydrogen 3.114 N/A SER 56.A N ILE 52.A O no hydrogen 2.810 N/A SER 56.A OG.B TYR 55.A O no hydrogen 2.849 N/A SER 58.A N ASP 134.A OD2 no hydrogen 2.826 N/A LEU 59.A N ASP 134.A OD2 no hydrogen 2.735 N/A VAL 60.A N ARG 83.A O no hydrogen 2.966 N/A LEU 61.A N MET 135.A O no hydrogen 2.919 N/A GLU 62.A N LEU 85.A O no hydrogen 2.749 N/A LEU 63.A N PHE 137.A O no hydrogen 2.841 N/A GLY 64.A N MET 87.A O no hydrogen 2.796 N/A ALA 65.A N GLU 88.A OE1 no hydrogen 2.804 N/A TYR 66.A N GLU 88.A OE1 no hydrogen 3.049 N/A TYR 66.A OH ASP 139.A O no hydrogen 2.574 N/A GLY 68.A N ALA 65.A O no hydrogen 2.938 N/A TYR 69.A OH ASP 28.A OD1 no hydrogen 3.293 N/A TYR 69.A OH ASP 28.A OD2 no hydrogen 2.761 N/A SER 70.A OG.A GLU 62.A OE2 no hydrogen 2.202 N/A VAL 72.A N GLY 68.A O no hydrogen 2.972 N/A ARG 73.A N TYR 69.A O no hydrogen 2.898 N/A ARG 73.A NE ASP 49.A OD1 no hydrogen 3.028 N/A ARG 73.A NH1 ASP 42.A OD1 no hydrogen 2.881 N/A ARG 73.A NH2 ASP 42.A OD1 no hydrogen 3.352 N/A ARG 73.A NH2 ASP 49.A OD2 no hydrogen 2.978 N/A MET 74.A N SER 70.A O no hydrogen 2.780 N/A ALA 75.A N ALA 71.A O no hydrogen 2.823 N/A ARG 76.A N VAL 72.A O no hydrogen 3.087 N/A ARG 76.A NH1 ASP 49.A OD1 no hydrogen 2.941 N/A ARG 76.A NH1 ASP 49.A OD2 no hydrogen 3.390 N/A ARG 76.A NH1 ARG 73.A O no hydrogen 2.791 N/A ARG 76.A NH2 ASP 49.A OD2 no hydrogen 2.736 N/A LEU 77.A N MET 74.A O no hydrogen 3.065 N/A LEU 78.A N ALA 75.A O no hydrogen 3.134 N/A ALA 82.A N GLN 79.A O no hydrogen 3.111 N/A ARG 83.A N SER 58.A O no hydrogen 2.857 N/A ARG 83.A NH1 TYR 128.A O no hydrogen 3.528 N/A ARG 83.A NH2 TYR 128.A O no hydrogen 2.711 N/A LEU 84.A N LYS 109.A O no hydrogen 2.754 N/A LEU 85.A N VAL 60.A O no hydrogen 2.763 N/A THR 86.A N THR 111.A O no hydrogen 2.901 N/A THR 86.A OG1 GLU 62.A OE1 no hydrogen 3.379 N/A MET 87.A N GLU 62.A O no hydrogen 2.810 N/A GLU 88.A N LEU 113.A O no hydrogen 2.939 N/A ASN 90.A N GLU 88.A OE2 no hydrogen 2.909 N/A ASP 92.A N ASN 90.A OD1 no hydrogen 2.996 N/A ALA 94.A N ASN 90.A O no hydrogen 2.882 N/A ALA 95.A N PRO 91.A O no hydrogen 2.859 N/A ILE 96.A N ASP 92.A O no hydrogen 3.055 N/A THR 97.A N CYS 93.A O no hydrogen 2.938 N/A THR 97.A OG1 TYR 66.A O no hydrogen 2.760 N/A THR 97.A OG1 CYS 93.A O no hydrogen 3.043 N/A GLN 98.A N ALA 94.A O no hydrogen 2.980 N/A GLN 98.A NE2 GLN 98.A O no hydrogen 3.353 N/A GLN 98.A NE2 ASN 102.A OD1 no hydrogen 2.936 N/A GLN 99.A N ALA 95.A O no hydrogen 3.185 N/A GLN 99.A NE2.B ALA 95.A O no hydrogen 3.420 N/A MET 100.A N ILE 96.A O no hydrogen 2.790 N/A LEU 101.A N THR 97.A O no hydrogen 2.913 N/A ASN 102.A N GLN 98.A O no hydrogen 2.800 N/A PHE 103.A N GLN 99.A O no hydrogen 2.871 N/A ALA 104.A N MET 100.A O no hydrogen 2.985 N/A GLY 105.A N ASN 102.A O no hydrogen 3.027 N/A LEU 106.A N LEU 101.A O no hydrogen 3.058 N/A GLN 107.A N GLN 107.A OE1 no hydrogen 2.639 N/A LYS 109.A N LEU 106.A O no hydrogen 3.047 N/A LYS 109.A NZ ALA 75.A O no hydrogen 2.811 N/A LYS 109.A NZ LEU 78.A O no hydrogen 2.969 N/A VAL 110.A N GLN 107.A O no hydrogen 3.348 N/A THR 111.A N LEU 84.A O no hydrogen 2.851 N/A LEU 113.A N THR 86.A O no hydrogen 2.663 N/A ASN 114.A ND2.B GLU 88.A O no hydrogen 2.758 N/A GLY 115.A N GLU 88.A O no hydrogen 2.900 N/A SER 117.A OG ASP 148.A OD1 no hydrogen 3.529 N/A SER 117.A OG ASP 148.A OD2 no hydrogen 2.598 N/A GLN 118.A N GLN 118.A OE1 no hydrogen 2.801 N/A ASP 119.A N ALA 116.A O no hydrogen 3.036 N/A LEU 120.A N ALA 116.A O no hydrogen 2.986 N/A ILE 121.A N SER 117.A O no hydrogen 2.835 N/A GLN 123.A N LEU 120.A O no hydrogen 2.951 N/A GLN 123.A NE2.B ASP 119.A O no hydrogen 3.031 N/A LEU 124.A N ILE 121.A O no hydrogen 3.286 N/A LYS 125.A NZ ASP 131.A O no hydrogen 2.768 N/A LYS 125.A NZ GLY 156.A O no hydrogen 3.154 N/A LYS 127.A N GLN 123.A O no hydrogen 2.909 N/A LYS 127.A NZ GLN 123.A OE1.B no hydrogen 3.247 N/A TYR 128.A N LEU 124.A O no hydrogen 3.290 N/A VAL 130.A N LEU 124.A O no hydrogen 3.152 N/A LEU 133.A N LEU 157.A O no hydrogen 2.815 N/A ASP 134.A N LEU 59.A O no hydrogen 2.944 N/A VAL 136.A N VAL 163.A O no hydrogen 2.780 N/A PHE 137.A N LEU 61.A O no hydrogen 2.794 N/A LEU 138.A N LEU 165.A O no hydrogen 2.831 N/A ASP 139.A N LEU 63.A O no hydrogen 2.985 N/A HIS 140.A N HIS 140.A ND1 no hydrogen 2.827 N/A HIS 140.A NE2 ASP 148.A OD2 no hydrogen 2.577 N/A ARG 144.A N TRP 141.A O no hydrogen 2.771 N/A ARG 144.A NE ASP 148.A OD1 no hydrogen 2.936 N/A ARG 144.A NE ASP 148.A OD2 no hydrogen 3.370 N/A ARG 144.A NH2 ASP 148.A OD1 no hydrogen 2.815 N/A TYR 145.A N LYS 142.A O no hydrogen 3.231 N/A TYR 145.A OH ASP 167.A O no hydrogen 2.728 N/A ASP 148.A N ARG 144.A O no hydrogen 2.916 N/A THR 149.A N TYR 145.A O no hydrogen 3.124 N/A THR 149.A OG1 TYR 145.A O no hydrogen 2.738 N/A LEU 150.A N LEU 146.A O no hydrogen 3.001 N/A LEU 151.A N PRO 147.A O no hydrogen 2.779 N/A LEU 152.A N ASP 148.A O no hydrogen 2.732 N/A GLU 153.A N THR 149.A O no hydrogen 3.097 N/A LYS 154.A N LEU 150.A O no hydrogen 2.844 N/A CYS 155.A N LEU 151.A O no hydrogen 2.905 N/A CYS 155.A SG LEU 151.A O no hydrogen 3.370 N/A GLY 156.A N GLU 153.A O no hydrogen 2.976 N/A LEU 157.A N LEU 152.A O no hydrogen 3.018 N/A ARG 159.A N THR 162.A OG1 no hydrogen 2.976 N/A ARG 159.A NH1 ASP 134.A OD1 no hydrogen 2.610 N/A ARG 159.A NH2 LYS 160.A O no hydrogen 3.047 N/A LYS 160.A NZ GLN 211.A OE1 no hydrogen 3.337 N/A GLY 161.A N TYR 210.A O no hydrogen 2.684 N/A THR 162.A N ARG 159.A O no hydrogen 2.920 N/A THR 162.A OG1 LEU 133.A O no hydrogen 2.614 N/A THR 162.A OG1 ARG 159.A O no hydrogen 3.065 N/A VAL 163.A N ASP 134.A O no hydrogen 3.064 N/A LEU 164.A N ALA 208.A O no hydrogen 2.874 N/A LEU 165.A N VAL 136.A O no hydrogen 2.752 N/A ALA 166.A N GLU 206.A O no hydrogen 2.886 N/A ASP 167.A N LEU 138.A O no hydrogen 2.883 N/A ASN 168.A N ASP 167.A OD1 no hydrogen 2.675 N/A ASN 168.A ND2 VAL 171.A O no hydrogen 3.284 N/A ASN 168.A ND2 ASP 203.A OD2 no hydrogen 2.678 N/A VAL 169.A N GLY 204.A O no hydrogen 3.259 N/A ILE 170.A N ASP 203.A OD1 no hydrogen 3.146 N/A VAL 171.A N ASP 203.A OD1 no hydrogen 2.812 N/A THR 174.A N VAL 169.A O no hydrogen 2.953 N/A LEU 178.A N THR 174.A O no hydrogen 2.995 N/A ALA 179.A N PRO 175.A O no hydrogen 2.812 N/A TYR 180.A N ASP 176.A O no hydrogen 2.954 N/A TYR 180.A OH GLU 153.A OE2 no hydrogen 2.869 N/A VAL 181.A N PHE 177.A O no hydrogen 2.995 N/A ARG 182.A N LEU 178.A O no hydrogen 2.924 N/A ARG 182.A NE GLU 206.A OE2 no hydrogen 2.992 N/A ARG 182.A NH2 GLU 206.A OE1 no hydrogen 2.889 N/A GLY 183.A N ALA 179.A O no hydrogen 3.234 N/A SER 186.A N SER 184.A OG no hydrogen 3.021 N/A SER 186.A OG GLY 212.A O no hydrogen 2.919 N/A SER 186.A OG SER 214.A OG no hydrogen 3.116 N/A PHE 187.A N SER 184.A O no hydrogen 3.307 N/A GLU 188.A N ILE 209.A O no hydrogen 2.912 N/A THR 190.A N LYS 207.A O no hydrogen 2.768 N/A HIS 191.A ND1 GLU 206.A OE1 no hydrogen 2.843 N/A TYR 192.A N LEU 205.A O no hydrogen 2.849 N/A SER 194.A N ASP 203.A O no hydrogen 2.922 N/A LEU 196.A N VAL 201.A O no hydrogen 2.834 N/A TYR 198.A N GLU 197.A OE2.A no hydrogen 2.415 N/A VAL 201.A N LEU 196.A O no hydrogen 3.213 N/A ASP 203.A N SER 194.A O no hydrogen 2.582 N/A LEU 205.A N TYR 192.A O no hydrogen 2.766 N/A GLU 206.A N ALA 166.A O no hydrogen 2.975 N/A LYS 207.A N THR 190.A O no hydrogen 2.723 N/A LYS 207.A NZ TYR 55.A OH no hydrogen 2.902 N/A LYS 207.A NZ TYR 192.A OH no hydrogen 3.409 N/A ALA 208.A N LEU 164.A O no hydrogen 2.799 N/A ILE 209.A N GLU 188.A O no hydrogen 2.901 N/A TYR 210.A N THR 162.A O no hydrogen 2.884 N/A GLN 211.A N SER 186.A O no hydrogen 2.643 N/A GLN 211.A NE2 ILE 209.A O no hydrogen 3.153 N/A SER 214.A OG SER 186.A OG no hydrogen 3.116 N/A