Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4j8o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N.A GLY 16.A O no hydrogen 2.854 N/A CYS 4.A N.B GLY 16.A O no hydrogen 2.861 N/A TRP 5.A NE1 GLY 63.A O no hydrogen 2.802 N/A ILE 6.A N LEU 14.A O no hydrogen 2.765 N/A TYR 8.A N GLY 12.A O no hydrogen 2.903 N/A GLY 11.A N TYR 8.A O no hydrogen 2.928 N/A GLY 12.A N ASP 10.A OD1 no hydrogen 2.822 N/A SER 13.A N VAL 32.A O no hydrogen 2.902 N/A LEU 14.A N ILE 6.A O no hydrogen 2.874 N/A VAL 15.A N ALA 30.A O no hydrogen 2.831 N/A GLY 16.A N CYS 4.A O.A no hydrogen 2.976 N/A GLY 16.A N CYS 4.A O.B no hydrogen 3.036 N/A ASN 19.A N GLU 23.A O no hydrogen 2.848 N/A GLY 22.A N ASN 19.A O no hydrogen 2.483 N/A GLU 23.A N ASN 19.A OD1 no hydrogen 2.772 N/A THR 25.A N GLU 23.A O no hydrogen 2.877 N/A GLY 26.A N PHE 44.A O no hydrogen 3.017 N/A ILE 29.A N GLY 42.A O no hydrogen 2.997 N/A ALA 30.A N VAL 15.A O no hydrogen 2.971 N/A TYR 31.A N LEU 40.A O no hydrogen 2.936 N/A VAL 32.A N SER 13.A O no hydrogen 2.823 N/A TYR 33.A N THR 38.A O no hydrogen 2.835 N/A TYR 33.A OH ASP 94.A OD1 no hydrogen 2.658 N/A GLU 36.A N TYR 33.A O no hydrogen 2.895 N/A ARG 37.A N ASP 35.A OD1 no hydrogen 3.007 N/A THR 38.A N ASP 35.A OD1 no hydrogen 2.821 N/A THR 38.A OG1 ASP 35.A OD1 no hydrogen 3.550 N/A THR 38.A OG1 ASP 35.A OD2 no hydrogen 2.577 N/A ALA 39.A N ALA 55.A O no hydrogen 2.937 N/A LEU 40.A N TYR 31.A O no hydrogen 2.818 N/A TYR 41.A N LYS 53.A O no hydrogen 2.856 N/A GLY 42.A N ILE 29.A O no hydrogen 2.828 N/A LYS 43.A N GLU 51.A O no hydrogen 2.939 N/A PHE 44.A N GLY 26.A O no hydrogen 2.983 N/A ILE 45.A N GLU 48.A O no hydrogen 2.856 N/A ASP 46.A N THR 25.A OG1 no hydrogen 2.774 N/A GLY 47.A N MET 24.A O no hydrogen 2.933 N/A GLU 48.A N ILE 45.A O no hydrogen 2.867 N/A ILE 50.A N LYS 43.A O no hydrogen 2.824 N/A GLU 51.A N LYS 43.A O no hydrogen 3.073 N/A GLY 52.A N TYR 76.A O no hydrogen 2.910 N/A LYS 53.A N TYR 41.A O no hydrogen 2.867 N/A LEU 54.A N SER 74.A O no hydrogen 3.136 N/A ALA 55.A N ALA 39.A O no hydrogen 2.762 N/A THR 56.A N GLU 68.A O no hydrogen 2.842 N/A LEU 57.A N ARG 37.A O no hydrogen 2.765 N/A MET 58.A N HIS 66.A O no hydrogen 2.805 N/A GLU 61.A N ARG 64.A O.A no hydrogen 2.776 N/A GLU 61.A N ARG 64.A O.B no hydrogen 2.894 N/A ARG 64.A N.A GLU 61.A O no hydrogen 2.863 N/A ARG 64.A N.B GLU 61.A O no hydrogen 2.878 N/A ARG 64.A NH1.B GLU 62.A OE1 no hydrogen 3.452 N/A HIS 66.A N SER 59.A O no hydrogen 2.780 N/A GLU 68.A N THR 56.A O no hydrogen 2.915 N/A MET 70.A N LEU 54.A O no hydrogen 2.919 N/A TYR 76.A N GLY 52.A O no hydrogen 2.871 N/A PHE 78.A N MET 49.A O no hydrogen 2.875 N/A ASP 79.A N ARG 197.A O no hydrogen 2.777 N/A SER 81.A OG GLY 132.A O no hydrogen 2.660 N/A THR 82.A N CYS 85.A O no hydrogen 2.974 N/A SER 84.A N THR 82.A OG1 no hydrogen 3.216 N/A CYS 85.A N THR 82.A OG1 no hydrogen 2.923 N/A SER 87.A OG ASP 79.A OD2 no hydrogen 3.460 N/A THR 88.A N ASP 79.A OD2 no hydrogen 2.798 N/A THR 88.A OG1 ASP 79.A OD1 no hydrogen 2.674 N/A THR 88.A OG1 ASP 79.A OD2 no hydrogen 3.417 N/A ASN 89.A N SER 87.A OG no hydrogen 2.972 N/A LEU 92.A N ASN 89.A O no hydrogen 3.094 N/A ASP 94.A N ALA 174.A O no hydrogen 3.231 N/A TYR 96.A OH VAL 126.A O no hydrogen 2.639 N/A GLU 97.A N ASP 94.A OD2 no hydrogen 2.911 N/A SER 98.A N.A ASP 94.A O no hydrogen 2.972 N/A SER 98.A N.B ASP 94.A O no hydrogen 2.964 N/A SER 98.A OG.A ASP 94.A O no hydrogen 2.723 N/A SER 98.A OG.B PRO 95.A O no hydrogen 2.928 N/A SER 98.A OG.B GLU 99.A OE2 no hydrogen 3.261 N/A GLU 99.A N TYR 96.A O no hydrogen 3.303 N/A ARG 100.A N GLU 97.A O no hydrogen 2.880 N/A ARG 100.A NH1 TYR 96.A O no hydrogen 2.894 N/A ARG 100.A NH2 ASP 35.A OD2 no hydrogen 3.004 N/A VAL 101.A N GLU 97.A O no hydrogen 3.047 N/A TYR 102.A N PHE 116.A O no hydrogen 2.905 N/A TYR 102.A OH ASP 213.A OD1 no hydrogen 2.618 N/A ALA 104.A N GLY 114.A O no hydrogen 3.205 N/A SER 106.A N GLY 112.A O no hydrogen 2.852 N/A SER 106.A OG GLU 215.A OE1 no hydrogen 3.242 N/A SER 106.A OG GLU 215.A OE2 no hydrogen 2.608 N/A LEU 107.A N GLU 215.A OE1 no hydrogen 2.890 N/A ILE 108.A N SER 106.A OG no hydrogen 3.052 N/A GLY 114.A N ALA 104.A O no hydrogen 2.811 N/A PHE 116.A N TYR 102.A O no hydrogen 2.865 N/A SER 117.A N.A GLU 214.A O no hydrogen 2.924 N/A SER 117.A N.B GLU 214.A O no hydrogen 2.917 N/A SER 117.A OG.A VAL 119.A O no hydrogen 2.429 N/A SER 117.A OG.B GLU 211.A O no hydrogen 2.501 N/A SER 117.A OG.B GLU 214.A O no hydrogen 3.140 N/A LYS 118.A N ARG 100.A O no hydrogen 2.808 N/A LYS 118.A NZ SER 98.A O.A no hydrogen 2.740 N/A LYS 118.A NZ SER 98.A O.B no hydrogen 2.729 N/A VAL 119.A N SER 117.A OG.A no hydrogen 3.248 N/A VAL 121.A N VAL 210.A O no hydrogen 3.068 N/A ASN 124.A N.A THR 206.A O no hydrogen 2.798 N/A ASN 124.A N.B THR 206.A O no hydrogen 2.793 N/A THR 125.A N THR 206.A OG1 no hydrogen 2.972 N/A THR 125.A OG1 GLY 122.A O no hydrogen 2.766 N/A MET 127.A N ILE 204.A O no hydrogen 2.789 N/A SER 128.A OG GLU 97.A OE2 no hydrogen 2.678 N/A PHE 129.A N GLU 97.A OE2 no hydrogen 2.894 N/A TYR 130.A N LYS 202.A O no hydrogen 2.817 N/A TYR 130.A OH ASN 150.A O no hydrogen 2.757 N/A ASN 131.A N SER 175.A OG no hydrogen 3.376 N/A ASN 131.A ND2 ILE 86.A O no hydrogen 3.143 N/A ASN 131.A ND2 TYR 172.A OH no hydrogen 3.017 N/A VAL 133.A N ASP 161.A O no hydrogen 2.828 N/A ARG 134.A N THR 82.A O no hydrogen 3.053 N/A ARG 134.A NE SER 81.A OG no hydrogen 2.955 N/A ARG 134.A NH1 PRO 200.A O no hydrogen 3.176 N/A ARG 134.A NH2 PRO 200.A O no hydrogen 2.878 N/A ILE 135.A N VAL 159.A O no hydrogen 2.981 N/A HIS 137.A NE2 ASP 155.A O no hydrogen 2.722 N/A GLU 139.A N THR 136.A OG1 no hydrogen 3.160 N/A VAL 140.A N THR 136.A O no hydrogen 3.122 N/A ASP 141.A N HIS 137.A O no hydrogen 2.811 N/A SER 142.A N GLN 138.A O no hydrogen 3.090 N/A SER 142.A OG GLN 138.A O no hydrogen 2.645 N/A ARG 143.A N VAL 140.A O no hydrogen 3.385 N/A ARG 143.A NE ASN 148.A OD1 no hydrogen 2.777 N/A ARG 143.A NH2 ASN 148.A OD1 no hydrogen 3.011 N/A ARG 143.A NH2 ASP 161.A OD2 no hydrogen 3.017 N/A TRP 145.A NE1 GLU 229.A OE2 no hydrogen 2.922 N/A ALA 146.A N ASP 144.A OD2 no hydrogen 2.913 N/A LEU 147.A N ASP 144.A O no hydrogen 2.881 N/A ASN 148.A N TRP 145.A O no hydrogen 2.882 N/A ASN 148.A ND2 VAL 140.A O no hydrogen 3.015 N/A ASN 150.A ND2 VAL 162.A O no hydrogen 3.004 N/A THR 151.A OG1 ASN 148.A O no hydrogen 3.121 N/A LEU 152.A N ILE 160.A O.A no hydrogen 2.791 N/A LEU 152.A N ILE 160.A O.B no hydrogen 2.782 N/A SER 153.A OG ASP 155.A O no hydrogen 3.515 N/A LEU 154.A N THR 158.A O no hydrogen 2.928 N/A ASP 155.A N THR 158.A O no hydrogen 3.285 N/A GLU 157.A N ASP 155.A OD1 no hydrogen 2.790 N/A VAL 159.A N ILE 135.A O no hydrogen 2.875 N/A ILE 160.A N.A LEU 152.A O no hydrogen 2.786 N/A ILE 160.A N.B LEU 152.A O no hydrogen 2.753 N/A ASP 161.A N VAL 133.A O no hydrogen 2.886 N/A TYR 166.A N PRO 163.A O no hydrogen 2.821 N/A HIS 168.A N PRO 165.A O no hydrogen 3.221 N/A LYS 171.A N HIS 168.A O no hydrogen 2.910 N/A TYR 172.A N HIS 168.A O no hydrogen 2.980 N/A TYR 172.A OH SER 175.A OG no hydrogen 2.668 N/A CYS 173.A N ALA 90.A O no hydrogen 2.803 N/A CYS 173.A SG LEU 91.A O no hydrogen 3.437 N/A SER 175.A OG TYR 172.A OH no hydrogen 2.668 N/A LEU 176.A N GLU 97.A OE2 no hydrogen 2.880 N/A GLY 177.A N PHE 129.A O no hydrogen 2.806 N/A LYS 179.A N LEU 176.A O no hydrogen 2.932 N/A LYS 179.A NZ GLU 113.A OE1 no hydrogen 2.772 N/A LYS 179.A NZ ASN 167.A O no hydrogen 2.757 N/A ALA 180.A N GLY 177.A O no hydrogen 3.335 N/A ASN 181.A ND2 SER 106.A OG no hydrogen 2.917 N/A ASN 181.A ND2 ALA 111.A O no hydrogen 3.534 N/A ASN 181.A ND2 GLU 113.A O no hydrogen 3.087 N/A ASN 181.A ND2 GLU 215.A OE2 no hydrogen 3.393 N/A SER 183.A N VAL 218.A O no hydrogen 3.002 N/A THR 185.A N SER 183.A OG no hydrogen 2.904 N/A THR 185.A OG1 SER 183.A OG no hydrogen 3.307 N/A ASN 187.A ND2 GLU 214.A OE2 no hydrogen 2.921 N/A ASN 187.A ND2 GLU 215.A O no hydrogen 2.949 N/A CYS 188.A N THR 217.A O no hydrogen 2.958 N/A CYS 188.A SG ASN 187.A OD1 no hydrogen 3.480 N/A ILE 189.A N ARG 205.A O no hydrogen 2.884 N/A ASP 191.A N CYS 203.A O no hydrogen 2.963 N/A PHE 193.A N ILE 201.A O no hydrogen 2.947 N/A VAL 194.A N ASP 10.A OD2 no hydrogen 2.830 N/A HIS 195.A N GLY 199.A O no hydrogen 2.955 N/A HIS 195.A NE2 ASP 94.A OD1 no hydrogen 2.756 N/A ARG 197.A N HIS 195.A ND1 no hydrogen 3.024 N/A ARG 197.A NH1 LEU 92.A O no hydrogen 2.906 N/A ARG 197.A NH2 LEU 92.A O no hydrogen 3.089 N/A PHE 198.A N HIS 195.A ND1 no hydrogen 3.180 N/A GLY 199.A N HIS 195.A O no hydrogen 2.825 N/A ILE 201.A N PHE 193.A O no hydrogen 2.930 N/A LYS 202.A NZ SER 153.A O no hydrogen 2.694 N/A CYS 203.A N ASP 191.A O no hydrogen 2.727 N/A CYS 203.A SG ASP 191.A O no hydrogen 3.664 N/A ILE 204.A N SER 128.A O no hydrogen 2.817 N/A ARG 205.A N ILE 189.A O no hydrogen 2.884 N/A ARG 205.A NE ASP 191.A OD2 no hydrogen 2.937 N/A ARG 205.A NH1 ASN 124.A O.A no hydrogen 2.930 N/A ARG 205.A NH1 ASN 124.A O.B no hydrogen 2.924 N/A ARG 205.A NH2 ASP 10.A O no hydrogen 3.101 N/A THR 206.A N THR 125.A O no hydrogen 2.873 N/A THR 206.A OG1 GLY 122.A O no hydrogen 2.836 N/A LEU 207.A N ASN 187.A O no hydrogen 2.834 N/A ARG 208.A NH1 ALA 209.A O no hydrogen 2.970 N/A ARG 208.A NH1 GLU 214.A OE2 no hydrogen 2.839 N/A ARG 208.A NH2 GLU 214.A OE2 no hydrogen 2.961 N/A VAL 210.A N VAL 121.A O no hydrogen 2.919 N/A GLU 211.A N GLU 214.A OE1 no hydrogen 2.938 N/A ASP 213.A N SER 117.A O.A no hydrogen 2.666 N/A ASP 213.A N SER 117.A O.B no hydrogen 2.924 N/A GLU 214.A N SER 117.A OG.B no hydrogen 3.040 N/A GLU 214.A N GLU 211.A O no hydrogen 3.251 N/A LEU 216.A N LEU 115.A O no hydrogen 2.767 N/A THR 217.A N ASN 187.A OD1 no hydrogen 2.912 N/A VAL 218.A N ASN 181.A O no hydrogen 3.110 N/A TYR 220.A N HIS 182.A ND1 no hydrogen 2.964 N/A TYR 220.A OH ALA 180.A O no hydrogen 2.742 N/A TYR 222.A N TYR 234.A OH no hydrogen 3.158 N/A HIS 224.A NE2 TYR 234.A OH no hydrogen 2.537 N/A SER 225.A N ASP 223.A OD1 no hydrogen 3.035 N/A GLU 229.A N ASP 223.A O no hydrogen 2.930 N/A TYR 234.A N PRO 231.A O no hydrogen 3.012 N/A TYR 234.A OH HIS 224.A NE2 no hydrogen 2.537 N/A GLN 235.A N PRO 231.A O no hydrogen 3.162 N/A GLN 235.A NE2 ALA 230.A O no hydrogen 3.053 N/A VAL 236.A N GLU 232.A O no hydrogen 2.983 N/A GLU 237.A N TRP 233.A O no hydrogen 3.250 N/A LEU 238.A N TYR 234.A O no hydrogen 2.862 N/A LYS 239.A N GLN 235.A O no hydrogen 3.258 N/A ALA 240.A N VAL 236.A O no hydrogen 3.279 N/A PHE 241.A N GLU 237.A O no hydrogen 2.928 N/A GLN 242.A N LEU 238.A O no hydrogen 2.973 N/A ALA 243.A N LYS 239.A O no hydrogen 3.007 N/A THR 244.A N ALA 240.A O no hydrogen 3.034 N/A THR 244.A OG1 PHE 241.A O no hydrogen 2.851 N/A GLN 245.A N PHE 241.A O no hydrogen 3.222 N/A GLN 245.A N GLN 242.A O no hydrogen 2.989 N/A