Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k4w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG THR 1.A OG1 no hydrogen 2.742 N/A GLU 4.A N THR 1.A OG1 no hydrogen 3.088 N/A ILE 5.A N THR 1.A O no hydrogen 3.170 N/A ASP 6.A N MET 2.A O no hydrogen 3.001 N/A ARG 7.A N SER 3.A O no hydrogen 3.145 N/A ILE 8.A N GLU 4.A O no hydrogen 3.010 N/A ALA 9.A N ILE 5.A O no hydrogen 2.927 N/A GLN 10.A N ASP 6.A O no hydrogen 2.900 N/A ASN 11.A N ARG 7.A O no hydrogen 3.121 N/A ASN 11.A ND2 ARG 72.A O no hydrogen 3.071 N/A ILE 12.A N ILE 8.A O no hydrogen 3.051 N/A ILE 13.A N ALA 9.A O no hydrogen 2.861 N/A LYS 14.A N GLN 10.A O no hydrogen 2.847 N/A LYS 14.A NZ GLU 18.A OE2 no hydrogen 2.447 N/A SER 15.A N ASN 11.A O no hydrogen 2.914 N/A SER 15.A OG PHE 69.A O no hydrogen 2.741 N/A HIS 16.A N ILE 12.A O no hydrogen 2.927 N/A HIS 16.A NE2 GLU 149.A OE1 no hydrogen 3.055 N/A LEU 17.A N ILE 13.A O no hydrogen 3.054 N/A GLU 18.A N LYS 14.A O no hydrogen 3.069 N/A THR 19.A N HIS 16.A O no hydrogen 3.113 N/A THR 19.A OG1 SER 15.A O no hydrogen 2.622 N/A CYS 20.A SG HIS 16.A O no hydrogen 3.493 N/A THR 23.A N GLU 26.A OE1 no hydrogen 2.954 N/A THR 23.A OG1 GLU 26.A OE1 no hydrogen 3.517 N/A GLU 26.A N THR 23.A OG1 no hydrogen 3.265 N/A LEU 27.A N THR 23.A O no hydrogen 3.156 N/A HIS 28.A N MET 24.A O no hydrogen 3.264 N/A GLN 29.A N GLU 25.A O no hydrogen 3.363 N/A LEU 30.A N LEU 27.A O no hydrogen 2.925 N/A ALA 31.A N LEU 27.A O no hydrogen 2.889 N/A GLN 33.A N LEU 30.A O no hydrogen 2.885 N/A HIS 35.A N TYR 117.A O no hydrogen 2.960 N/A THR 36.A N GLU 39.A OE1 no hydrogen 2.673 N/A THR 36.A OG1 GLU 38.A OE2 no hydrogen 3.346 N/A GLU 38.A N GLU 38.A OE2 no hydrogen 2.753 N/A GLU 39.A N THR 36.A OG1 no hydrogen 3.097 N/A ILE 40.A N THR 36.A O no hydrogen 2.857 N/A LYS 41.A N TYR 37.A O no hydrogen 2.985 N/A ALA 42.A N GLU 38.A O no hydrogen 2.896 N/A TYR 43.A N GLU 39.A O no hydrogen 3.068 N/A TYR 43.A OH HIS 35.A NE2 no hydrogen 3.379 N/A TYR 43.A OH GLU 114.A OE1 no hydrogen 2.570 N/A GLN 44.A N ILE 40.A O no hydrogen 3.014 N/A GLN 44.A NE2 GLN 121.A O no hydrogen 3.056 N/A SER 45.A N LYS 41.A O no hydrogen 2.842 N/A SER 45.A N ALA 42.A O no hydrogen 3.058 N/A SER 45.A OG LYS 41.A O no hydrogen 2.982 N/A LYS 46.A N TYR 43.A O no hydrogen 3.291 N/A LYS 46.A NZ GLN 54.A OE1 no hydrogen 2.671 N/A SER 47.A OG GLU 49.A OE1 no hydrogen 2.998 N/A ALA 50.A N SER 47.A OG no hydrogen 2.926 N/A LEU 51.A N SER 47.A O no hydrogen 3.081 N/A TRP 52.A N ARG 48.A O no hydrogen 2.991 N/A TRP 52.A NE1 LEU 126.A O no hydrogen 3.299 N/A GLN 53.A N GLU 49.A O no hydrogen 2.931 N/A GLN 54.A N ALA 50.A O no hydrogen 3.094 N/A GLN 54.A NE2 GLU 114.A OE2 no hydrogen 2.611 N/A CYS 55.A N LEU 51.A O no hydrogen 2.851 N/A CYS 55.A SG LEU 51.A O no hydrogen 3.478 N/A ALA 56.A N TRP 52.A O no hydrogen 2.830 N/A ILE 57.A N GLN 53.A O no hydrogen 3.032 N/A GLN 58.A N GLN 54.A O no hydrogen 3.032 N/A ILE 59.A N CYS 55.A O no hydrogen 2.856 N/A THR 60.A N ALA 56.A O no hydrogen 2.879 N/A THR 60.A OG1 ALA 56.A O no hydrogen 2.717 N/A HIS 61.A N ILE 57.A O no hydrogen 2.871 N/A HIS 61.A NE2 GLN 21.A OE1 no hydrogen 3.176 N/A ALA 62.A N GLN 58.A O no hydrogen 2.947 N/A ILE 63.A N ILE 59.A O no hydrogen 2.759 N/A GLN 64.A N THR 60.A O no hydrogen 2.840 N/A TYR 65.A N HIS 61.A O no hydrogen 3.410 N/A VAL 66.A N ALA 62.A O no hydrogen 3.215 N/A VAL 67.A N ILE 63.A O no hydrogen 3.031 N/A GLU 68.A N GLN 64.A O no hydrogen 3.170 N/A PHE 69.A N TYR 65.A O no hydrogen 2.814 N/A ALA 70.A N VAL 66.A O no hydrogen 2.893 N/A LYS 71.A N VAL 67.A O no hydrogen 2.907 N/A ARG 72.A N PHE 69.A O no hydrogen 3.154 N/A ARG 72.A NH1 GLU 18.A OE1 no hydrogen 2.722 N/A ILE 73.A N ALA 70.A O no hydrogen 2.981 N/A THR 74.A N ASN 11.A OD1 no hydrogen 2.788 N/A THR 74.A OG1 ASN 11.A OD1 no hydrogen 3.311 N/A PHE 76.A N ILE 73.A O no hydrogen 2.789 N/A MET 77.A N ILE 73.A O no hydrogen 3.188 N/A LEU 79.A N PHE 76.A O no hydrogen 3.192 N/A GLN 84.A N CYS 80.A O no hydrogen 3.006 N/A GLN 84.A NE2 LEU 79.A O no hydrogen 2.891 N/A ILE 85.A N GLN 81.A O no hydrogen 3.021 N/A LEU 86.A N ASN 82.A O no hydrogen 3.074 N/A LEU 87.A N ASP 83.A O no hydrogen 2.813 N/A LEU 88.A N GLN 84.A O no hydrogen 2.987 N/A LYS 89.A N ILE 85.A O no hydrogen 2.752 N/A LYS 89.A NZ LEU 242.A O no hydrogen 3.457 N/A SER 90.A N LEU 86.A O no hydrogen 3.029 N/A SER 90.A OG LEU 86.A O no hydrogen 2.663 N/A SER 90.A OG LEU 87.A O no hydrogen 3.286 N/A GLY 91.A N LEU 87.A O no hydrogen 2.864 N/A CYS 92.A N LEU 88.A O no hydrogen 2.808 N/A CYS 92.A SG LEU 88.A O no hydrogen 3.224 N/A VAL 95.A N GLY 91.A O no hydrogen 2.924 N/A VAL 96.A N CYS 92.A O no hydrogen 2.953 N/A LEU 97.A N LEU 93.A O no hydrogen 2.794 N/A VAL 98.A N GLU 94.A O no hydrogen 3.072 N/A ARG 99.A N VAL 95.A O no hydrogen 2.804 N/A ARG 99.A NH1 THR 19.A O no hydrogen 2.791 N/A ARG 99.A NH2 THR 19.A O no hydrogen 3.408 N/A ARG 99.A NH2 THR 19.A OG1 no hydrogen 2.963 N/A MET 100.A N VAL 96.A O no hydrogen 2.848 N/A CYS 101.A N VAL 98.A O no hydrogen 3.170 N/A CYS 101.A SG LEU 97.A O no hydrogen 3.704 N/A CYS 101.A SG VAL 98.A O no hydrogen 3.411 N/A ARG 102.A N ARG 99.A O no hydrogen 2.976 N/A ARG 102.A NE GLU 149.A OE1 no hydrogen 3.306 N/A ARG 102.A NE GLU 149.A OE2 no hydrogen 2.856 N/A ARG 102.A NH1 TYR 22.A O no hydrogen 3.093 N/A ARG 102.A NH2 TYR 22.A O no hydrogen 2.917 N/A ARG 102.A NH2 GLU 149.A OE1 no hydrogen 2.852 N/A ALA 103.A N MET 100.A O no hydrogen 2.895 N/A ASN 105.A N THR 110.A O no hydrogen 2.796 N/A LEU 107.A N ASN 105.A OD1 no hydrogen 2.969 N/A THR 110.A N ASN 105.A O no hydrogen 3.201 N/A THR 110.A OG1 ASN 108.A OD1 no hydrogen 2.661 N/A VAL 111.A N GLY 118.A O no hydrogen 2.995 N/A LEU 112.A N ALA 103.A O no hydrogen 3.046 N/A PHE 113.A N LYS 116.A O no hydrogen 3.037 N/A LYS 116.A NZ GLN 33.A OE1 no hydrogen 2.654 N/A TYR 117.A N GLN 33.A O no hydrogen 2.803 N/A GLY 118.A N VAL 111.A O no hydrogen 2.962 N/A GLN 121.A N GLN 121.A OE1 no hydrogen 2.811 N/A MET 122.A N GLY 119.A O no hydrogen 3.073 N/A PHE 123.A N MET 120.A O no hydrogen 3.067 N/A LYS 124.A N GLN 121.A O no hydrogen 3.074 N/A LYS 124.A NZ ASP 129.A OD2 no hydrogen 2.345 N/A LEU 126.A N PHE 123.A O no hydrogen 2.920 N/A GLY 127.A N LYS 124.A O no hydrogen 3.064 N/A SER 128.A OG LEU 126.A O no hydrogen 3.152 N/A LEU 131.A N ASP 130.A OD1 no hydrogen 2.794 N/A VAL 132.A N SER 128.A O no hydrogen 3.058 N/A ASN 133.A N ASP 129.A O no hydrogen 2.674 N/A GLU 134.A N ASP 130.A O no hydrogen 3.023 N/A ALA 135.A N LEU 131.A O no hydrogen 2.924 N/A PHE 136.A N VAL 132.A O no hydrogen 2.879 N/A ASP 137.A N ASN 133.A O no hydrogen 2.884 N/A PHE 138.A N GLU 134.A O no hydrogen 3.027 N/A ALA 139.A N ALA 135.A O no hydrogen 3.032 N/A LYS 140.A N PHE 136.A O no hydrogen 2.847 N/A ASN 141.A N ASP 137.A O no hydrogen 2.975 N/A LEU 142.A N PHE 138.A O no hydrogen 2.937 N/A CYS 143.A N ALA 139.A O no hydrogen 2.900 N/A CYS 143.A SG CYS 101.A O no hydrogen 3.362 N/A CYS 143.A SG ALA 139.A O no hydrogen 3.224 N/A SER 144.A N LYS 140.A O no hydrogen 3.115 N/A SER 144.A N ASN 141.A O no hydrogen 3.268 N/A SER 144.A OG ASN 141.A O no hydrogen 2.492 N/A LEU 145.A N LEU 142.A O no hydrogen 2.959 N/A GLN 146.A N CYS 143.A O no hydrogen 2.903 N/A GLN 146.A NE2 CYS 143.A O no hydrogen 3.526 N/A THR 148.A N GLU 151.A OE1 no hydrogen 2.867 N/A GLU 151.A N THR 148.A OG1 no hydrogen 3.417 N/A ILE 152.A N THR 148.A O no hydrogen 2.984 N/A ALA 153.A N GLU 149.A O no hydrogen 2.781 N/A LEU 154.A N GLU 150.A O no hydrogen 2.966 N/A PHE 155.A N GLU 151.A O no hydrogen 2.808 N/A SER 156.A N ILE 152.A O no hydrogen 2.886 N/A SER 156.A OG ILE 152.A O no hydrogen 2.903 N/A SER 156.A OG ALA 153.A O no hydrogen 2.737 N/A SER 157.A N ALA 153.A O no hydrogen 2.978 N/A SER 157.A OG LEU 154.A O no hydrogen 2.572 N/A ALA 158.A N LEU 154.A O no hydrogen 2.980 N/A VAL 159.A N PHE 155.A O no hydrogen 2.941 N/A LEU 160.A N SER 156.A O no hydrogen 3.072 N/A ILE 161.A N SER 157.A O no hydrogen 2.754 N/A ASP 164.A N SER 162.A OG no hydrogen 3.265 N/A ARG 165.A N SER 162.A O no hydrogen 3.533 N/A ARG 165.A NH1 GLU 94.A OE1 no hydrogen 3.457 N/A ARG 165.A NH1 GLU 94.A OE2 no hydrogen 3.207 N/A ARG 165.A NH2 GLU 94.A OE1 no hydrogen 2.597 N/A LEU 169.A N ASP 83.A OD1 no hydrogen 2.747 N/A GLU 170.A N ASP 83.A OD2 no hydrogen 2.803 N/A ARG 172.A NE GLN 175.A OE1 no hydrogen 3.568 N/A ARG 172.A NH2 GLN 175.A OE1 no hydrogen 3.519 N/A ARG 172.A NH2 GLU 179.A OE1 no hydrogen 3.083 N/A LYS 173.A NZ GLU 170.A OE1 no hydrogen 3.181 N/A LYS 173.A NZ GLU 170.A OE2 no hydrogen 2.570 N/A VAL 174.A N GLU 170.A O no hydrogen 3.310 N/A GLN 175.A N PRO 171.A O no hydrogen 2.774 N/A LYS 176.A N ARG 172.A O no hydrogen 2.825 N/A LEU 177.A N LYS 173.A O no hydrogen 3.353 N/A GLN 178.A N VAL 174.A O no hydrogen 2.990 N/A GLU 179.A N GLN 175.A O no hydrogen 2.957 N/A LYS 180.A N LYS 176.A O no hydrogen 3.315 N/A LYS 180.A NZ GLU 4.A OE1 no hydrogen 3.538 N/A LYS 180.A NZ GLU 4.A OE2 no hydrogen 2.809 N/A ILE 181.A N LEU 177.A O no hydrogen 2.897 N/A TYR 182.A N GLN 178.A O no hydrogen 2.885 N/A PHE 183.A N GLU 179.A O no hydrogen 2.943 N/A ALA 184.A N LYS 180.A O no hydrogen 2.929 N/A LEU 185.A N ILE 181.A O no hydrogen 2.806 N/A GLN 186.A N TYR 182.A O no hydrogen 2.845 N/A HIS 187.A N PHE 183.A O no hydrogen 3.263 N/A VAL 188.A N ALA 184.A O no hydrogen 2.962 N/A ILE 189.A N LEU 185.A O no hydrogen 2.955 N/A GLN 190.A N HIS 187.A O no hydrogen 3.165 N/A LYS 191.A N VAL 188.A O no hydrogen 3.169 N/A LYS 191.A NZ GLU 150.A OE1 no hydrogen 2.878 N/A ASN 192.A N ILE 189.A O no hydrogen 3.067 N/A ASN 192.A ND2 GLU 151.A OE2 no hydrogen 2.695 N/A HIS 193.A NE2 GLU 151.A OE1 no hydrogen 2.567 N/A LYS 201.A N GLU 197.A O no hydrogen 2.596 N/A LEU 202.A N THR 198.A O no hydrogen 2.841 N/A ILE 203.A N LEU 199.A O no hydrogen 2.996 N/A ALA 204.A N ALA 200.A O no hydrogen 3.018 N/A LYS 205.A N LEU 202.A O no hydrogen 2.855 N/A ILE 206.A N ILE 203.A O no hydrogen 3.149 N/A ILE 209.A N LYS 205.A O no hydrogen 3.010 N/A THR 210.A N ILE 206.A O no hydrogen 3.213 N/A THR 210.A OG1 GLU 94.A OE2 no hydrogen 2.725 N/A THR 210.A OG1 ILE 206.A O no hydrogen 3.368 N/A ALA 211.A N PRO 207.A O no hydrogen 2.919 N/A VAL 212.A N THR 208.A O no hydrogen 2.951 N/A CYS 213.A N ILE 209.A O no hydrogen 3.166 N/A CYS 213.A SG ILE 209.A O no hydrogen 3.584 N/A ASN 214.A N THR 210.A O no hydrogen 2.906 N/A LEU 215.A N ALA 211.A O no hydrogen 3.029 N/A HIS 216.A N VAL 212.A O no hydrogen 3.048 N/A HIS 216.A NE2 TYR 239.A OH no hydrogen 2.966 N/A GLY 217.A N CYS 213.A O no hydrogen 3.123 N/A GLU 218.A N ASN 214.A O no hydrogen 2.857 N/A LYS 219.A N LEU 215.A O no hydrogen 2.924 N/A LYS 219.A NZ ASP 130.A OD2 no hydrogen 2.691 N/A LEU 220.A N HIS 216.A O no hydrogen 3.005 N/A GLN 221.A N GLY 217.A O no hydrogen 2.985 N/A GLN 221.A NE2 GLY 217.A O no hydrogen 2.885 N/A GLN 221.A NE2 PHE 243.A O no hydrogen 3.072 N/A VAL 222.A N GLU 218.A O no hydrogen 3.354 N/A PHE 223.A N LYS 219.A O no hydrogen 2.928 N/A LYS 224.A N LEU 220.A O no hydrogen 2.776 N/A GLN 225.A N GLN 221.A O no hydrogen 3.296 N/A SER 226.A N VAL 222.A O no hydrogen 3.235 N/A HIS 227.A N PHE 223.A O no hydrogen 2.791 N/A VAL 231.A N HIS 227.A O no hydrogen 3.493 N/A ASN 232.A N PRO 228.A O no hydrogen 3.035 N/A THR 233.A N ASP 229.A O no hydrogen 3.065 N/A THR 233.A OG1 ASP 229.A O no hydrogen 3.002 N/A LEU 234.A N ILE 230.A O no hydrogen 2.794 N/A PHE 235.A N ILE 230.A O no hydrogen 3.168 N/A TYR 239.A OH HIS 216.A NE2 no hydrogen 2.966 N/A LYS 240.A N PRO 236.A O no hydrogen 3.099 N/A LYS 240.A NZ ASN 232.A OD1 no hydrogen 3.325 N/A GLU 241.A N PRO 237.A O no hydrogen 2.907 N/A LEU 242.A N LEU 238.A O no hydrogen 2.861 N/A PHE 243.A N TYR 239.A O no hydrogen 3.015 N/A ASN 244.A N LYS 240.A O no hydrogen 2.965 N/A