Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jfc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N SER 17.A O no hydrogen 2.889 N/A LYS 4.A N THR 15.A O no hydrogen 2.862 N/A LYS 4.A NZ GLU 54.A OE2 no hydrogen 2.803 N/A THR 6.A N ILE 13.A O no hydrogen 3.041 N/A GLU 8.A N THR 11.A O no hydrogen 3.177 N/A THR 11.A N GLU 8.A O no hydrogen 3.190 N/A LEU 12.A N SER 48.A O no hydrogen 2.967 N/A ILE 13.A N THR 6.A O no hydrogen 2.962 N/A LEU 14.A N VAL 50.A O no hydrogen 2.668 N/A THR 15.A N LYS 4.A O no hydrogen 2.814 N/A LEU 16.A N THR 52.A O no hydrogen 2.794 N/A SER 17.A N ALA 2.A O no hydrogen 2.738 N/A SER 17.A OG GLU 54.A OE1 no hydrogen 2.690 N/A SER 17.A OG GLU 54.A OE2 no hydrogen 3.190 N/A ASN 18.A N ASN 23.A OD1 no hydrogen 2.779 N/A PHE 21.A N ASN 18.A O no hydrogen 2.959 N/A ASN 23.A N ASN 18.A O no hydrogen 2.932 N/A ASN 23.A ND2 GLU 54.A O no hydrogen 2.894 N/A ASN 23.A ND2 VAL 57.A O no hydrogen 2.867 N/A ALA 24.A N PHE 21.A O no hydrogen 3.220 N/A LEU 25.A N GLY 61.A O no hydrogen 2.986 N/A TYR 30.A N GLY 26.A O no hydrogen 3.206 N/A ALA 31.A N PRO 27.A O no hydrogen 3.323 N/A ALA 32.A N GLU 28.A O no hydrogen 3.080 N/A GLY 33.A N ILE 29.A O no hydrogen 2.920 N/A ILE 34.A N TYR 30.A O no hydrogen 2.942 N/A GLU 35.A N ALA 31.A O no hydrogen 2.970 N/A ALA 36.A N ALA 32.A O no hydrogen 2.875 N/A LEU 37.A N GLY 33.A O no hydrogen 3.218 N/A ASN 38.A N ILE 34.A O no hydrogen 2.809 N/A ALA 39.A N GLU 35.A O no hydrogen 2.830 N/A ALA 40.A N ALA 36.A O no hydrogen 3.169 N/A GLU 41.A N ASN 38.A O no hydrogen 3.347 N/A ASN 43.A N ALA 40.A O no hydrogen 3.249 N/A GLU 45.A N ASN 43.A OD1 no hydrogen 2.906 N/A ILE 46.A N ASN 43.A O no hydrogen 2.987 N/A ARG 47.A N GLN 10.A O no hydrogen 2.763 N/A ARG 47.A NH1 ASN 196.A O no hydrogen 2.851 N/A ARG 47.A NH2 TYR 253.A O no hydrogen 2.843 N/A SER 48.A OG ASN 196.A OD1 no hydrogen 2.689 N/A VAL 49.A N PRO 98.A O no hydrogen 2.898 N/A VAL 50.A N LEU 12.A O no hydrogen 2.711 N/A ILE 51.A N ILE 100.A O no hydrogen 2.846 N/A THR 52.A N LEU 14.A O no hydrogen 2.868 N/A THR 52.A OG1 ALA 102.A O no hydrogen 3.075 N/A GLU 54.A N LEU 16.A O no hydrogen 2.829 N/A PHE 58.A N GLU 104.A O no hydrogen 2.991 N/A CYS 59.A N ALA 106.A O no hydrogen 3.079 N/A CYS 59.A SG ASN 23.A O no hydrogen 3.387 N/A CYS 59.A SG GLY 61.A O no hydrogen 3.674 N/A ALA 60.A N ARG 22.A O no hydrogen 3.075 N/A ARG 66.A NH1 ASN 63.A OD1 no hydrogen 3.393 N/A LEU 67.A N ASN 63.A O no hydrogen 3.128 N/A GLN 68.A N LEU 64.A O no hydrogen 2.936 N/A ALA 69.A N GLN 65.A O no hydrogen 2.986 N/A ASN 70.A N ARG 66.A O no hydrogen 2.928 N/A ASN 70.A ND2 GLN 78.A OE1 no hydrogen 2.941 N/A ARG 71.A N LEU 67.A O no hydrogen 3.106 N/A ARG 72.A N ALA 69.A O no hydrogen 3.040 N/A GLU 73.A N ASN 70.A O no hydrogen 3.057 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.727 N/A VAL 77.A N ALA 74.A O no hydrogen 2.973 N/A ALA 79.A N PRO 75.A O no hydrogen 3.071 N/A GLN 80.A N GLU 76.A O no hydrogen 2.908 N/A SER 81.A N VAL 77.A O no hydrogen 3.011 N/A ILE 82.A N GLN 78.A O no hydrogen 2.832 N/A GLU 83.A N ALA 79.A O no hydrogen 2.992 N/A GLY 84.A N GLN 80.A O no hydrogen 3.317 N/A LEU 85.A N SER 81.A O no hydrogen 3.422 N/A HIS 86.A N ILE 82.A O no hydrogen 2.850 N/A ASN 87.A N GLU 83.A O no hydrogen 2.804 N/A TRP 88.A N GLY 84.A O no hydrogen 3.100 N/A ILE 89.A N LEU 85.A O no hydrogen 2.978 N/A ASP 90.A N HIS 86.A O no hydrogen 2.935 N/A SER 91.A N ASN 87.A O no hydrogen 2.887 N/A ILE 92.A N TRP 88.A O no hydrogen 2.827 N/A ARG 93.A N ILE 89.A O no hydrogen 2.978 N/A ARG 93.A NH1 ASP 119.A OD1 no hydrogen 3.076 N/A ARG 93.A NH2 CYS 118.A O no hydrogen 3.445 N/A THR 94.A N ASP 90.A O no hydrogen 2.859 N/A THR 94.A OG1 ASP 90.A O no hydrogen 2.835 N/A TYR 95.A N ILE 92.A O no hydrogen 3.101 N/A TYR 95.A OH LEU 37.A O no hydrogen 2.748 N/A LYS 97.A NZ ALA 40.A O no hydrogen 2.833 N/A LYS 97.A NZ GLU 41.A O no hydrogen 3.182 N/A LYS 97.A NZ ASN 43.A O no hydrogen 3.106 N/A LYS 97.A NZ ILE 46.A O no hydrogen 2.570 N/A VAL 99.A N ASP 119.A OD2 no hydrogen 2.731 N/A ILE 100.A N VAL 49.A O no hydrogen 2.722 N/A ALA 101.A N PHE 120.A O no hydrogen 2.857 N/A ALA 102.A N ILE 51.A O no hydrogen 2.973 N/A VAL 103.A N VAL 122.A O no hydrogen 2.734 N/A ALA 107.A N VAL 128.A O no hydrogen 2.810 N/A ALA 108.A N CYS 59.A O no hydrogen 2.905 N/A GLY 109.A N VAL 130.A O no hydrogen 2.856 N/A GLY 111.A N ALA 108.A O no hydrogen 2.804 N/A SER 113.A N GLY 109.A O no hydrogen 3.139 N/A SER 113.A OG ASP 140.A O no hydrogen 2.685 N/A LEU 114.A N ALA 110.A O no hydrogen 2.841 N/A ALA 115.A N GLY 111.A O no hydrogen 3.122 N/A LEU 116.A N PHE 112.A O no hydrogen 2.867 N/A ALA 117.A N LEU 114.A O no hydrogen 3.020 N/A CYS 118.A N ALA 115.A O no hydrogen 3.273 N/A CYS 118.A SG LEU 114.A O no hydrogen 3.511 N/A ASP 119.A N VAL 99.A O no hydrogen 2.913 N/A PHE 120.A N VAL 99.A O no hydrogen 3.247 N/A VAL 121.A N ASN 177.A OD1 no hydrogen 2.940 N/A VAL 122.A N ALA 101.A O no hydrogen 2.785 N/A ALA 123.A N LYS 178.A O no hydrogen 3.100 N/A ALA 124.A N VAL 103.A O no hydrogen 2.846 N/A SER 125.A N ALA 180.A O no hydrogen 2.734 N/A SER 125.A OG ALA 180.A O no hydrogen 3.550 N/A ALA 127.A N ALA 124.A O no hydrogen 2.814 N/A VAL 128.A N GLY 105.A O no hydrogen 2.796 N/A VAL 130.A N ALA 107.A O no hydrogen 3.205 N/A TYR 132.A OH ASP 140.A OD1 no hydrogen 2.605 N/A SER 133.A OG LEU 160.A O no hydrogen 3.039 N/A THR 134.A N SER 131.A O no hydrogen 3.004 N/A VAL 135.A N TYR 132.A O no hydrogen 2.963 N/A GLY 136.A N SER 133.A O no hydrogen 3.243 N/A LEU 137.A N TYR 132.A O no hydrogen 2.911 N/A GLY 143.A N ASP 140.A O no hydrogen 3.414 N/A SER 146.A N GLY 142.A O no hydrogen 2.797 N/A SER 146.A OG GLY 142.A O no hydrogen 3.022 N/A LEU 147.A N GLY 143.A O no hydrogen 3.082 N/A ALA 148.A N SER 144.A O no hydrogen 2.896 N/A ARG 149.A N TRP 145.A O no hydrogen 3.065 N/A ARG 149.A NH2 SER 214.A O no hydrogen 3.142 N/A SER 150.A OG SER 146.A O no hydrogen 2.766 N/A LEU 151.A N LEU 147.A O no hydrogen 3.096 N/A ALA 156.A N PRO 152.A O no hydrogen 2.947 N/A SER 157.A N ARG 153.A O no hydrogen 2.888 N/A SER 157.A OG ARG 153.A O no hydrogen 2.981 N/A GLU 158.A N ALA 154.A O no hydrogen 2.991 N/A LEU 159.A N LEU 155.A O no hydrogen 3.071 N/A LEU 160.A N ALA 156.A O no hydrogen 2.992 N/A ARG 164.A NH1 GLU 163.A OE1 no hydrogen 3.437 N/A ILE 165.A N PHE 129.A O no hydrogen 2.920 N/A GLN 168.A NE2 ASP 172.A OD1 no hydrogen 3.014 N/A ARG 169.A N SER 166.A OG no hydrogen 2.983 N/A LEU 170.A N SER 166.A O no hydrogen 2.811 N/A HIS 171.A N ALA 167.A O no hydrogen 2.879 N/A ASP 172.A N GLN 168.A O no hydrogen 2.997 N/A LEU 173.A N ARG 169.A O no hydrogen 3.085 N/A GLY 174.A N LEU 170.A O no hydrogen 3.090 N/A GLY 174.A N HIS 171.A O no hydrogen 3.112 N/A LEU 175.A N LEU 170.A O no hydrogen 3.040 N/A VAL 176.A N LEU 170.A O no hydrogen 3.387 N/A ASN 177.A N VAL 121.A O no hydrogen 2.810 N/A ALA 180.A N ALA 123.A O no hydrogen 2.787 N/A GLY 183.A N GLU 104.A OE1 no hydrogen 2.807 N/A ASP 184.A N SER 181.A O no hydrogen 2.704 N/A ALA 185.A N GLU 104.A OE2 no hydrogen 2.878 N/A GLU 188.A N ASP 184.A O no hydrogen 2.989 N/A ALA 189.A N ALA 185.A O no hydrogen 2.904 N/A LEU 190.A N LEU 186.A O no hydrogen 2.904 N/A ARG 191.A N SER 187.A O no hydrogen 2.937 N/A GLY 193.A N LEU 190.A O no hydrogen 2.890 N/A GLN 194.A N ARG 191.A O no hydrogen 3.236 N/A ASN 196.A N ALA 192.A O no hydrogen 2.739 N/A ARG 198.A N LEU 195.A O no hydrogen 2.988 N/A ASN 201.A ND2 ASN 232.A OD1 no hydrogen 2.916 N/A ALA 202.A N ALA 199.A O no hydrogen 3.049 N/A LEU 203.A N ALA 199.A O no hydrogen 3.096 N/A ALA 204.A N PRO 200.A O no hydrogen 3.060 N/A SER 205.A N ASN 201.A O no hydrogen 2.976 N/A SER 205.A OG ASN 201.A O no hydrogen 3.498 N/A SER 205.A OG HIS 228.A ND1 no hydrogen 2.664 N/A ILE 206.A N ALA 202.A O no hydrogen 2.882 N/A LYS 207.A N LEU 203.A O no hydrogen 2.855 N/A LYS 207.A NZ ILE 92.A O no hydrogen 2.917 N/A LYS 207.A NZ TYR 95.A O no hydrogen 3.123 N/A LYS 207.A NZ LYS 97.A O no hydrogen 3.318 N/A LYS 207.A NZ ASP 119.A OD1 no hydrogen 3.357 N/A LYS 207.A NZ ASP 119.A OD2 no hydrogen 2.724 N/A GLU 208.A N ALA 204.A O no hydrogen 3.071 N/A LEU 209.A N SER 205.A O no hydrogen 2.966 N/A ILE 210.A N ILE 206.A O no hydrogen 2.963 N/A ASN 211.A N LYS 207.A O no hydrogen 2.913 N/A ASN 211.A ND2 ARG 93.A O no hydrogen 2.962 N/A GLU 212.A N GLU 208.A O no hydrogen 2.942 N/A ALA 213.A N LEU 209.A O no hydrogen 2.876 N/A ALA 213.A N ILE 210.A O no hydrogen 3.330 N/A SER 214.A OG ASN 211.A O no hydrogen 3.135 N/A SER 215.A N GLU 212.A O no hydrogen 3.022 N/A SER 215.A OG GLU 212.A O no hydrogen 3.338 N/A ASN 216.A N ALA 213.A O no hydrogen 3.311 N/A ASN 216.A ND2 GLN 221.A OE1 no hydrogen 2.737 N/A GLN 220.A N THR 217.A OG1 no hydrogen 3.173 N/A GLN 221.A N THR 217.A O no hydrogen 2.914 N/A GLN 221.A NE2 LEU 209.A O no hydrogen 2.819 N/A LEU 222.A N LEU 218.A O no hydrogen 2.643 N/A ALA 223.A N SER 219.A O no hydrogen 3.226 N/A CYS 224.A N GLN 220.A O no hydrogen 3.050 N/A CYS 224.A SG GLN 220.A O no hydrogen 3.827 N/A GLU 225.A N GLN 221.A O no hydrogen 2.812 N/A ARG 226.A N LEU 222.A O no hydrogen 2.922 N/A ARG 226.A NE ASP 227.A OD1 no hydrogen 3.155 N/A ARG 226.A NH2 ASP 227.A OD1 no hydrogen 3.081 N/A ARG 226.A NH2 ASP 227.A OD2 no hydrogen 3.458 N/A ASP 227.A N ALA 223.A O no hydrogen 3.114 N/A HIS 228.A N CYS 224.A O no hydrogen 3.036 N/A HIS 228.A ND1 SER 205.A OG no hydrogen 2.664 N/A PHE 229.A N GLU 225.A O no hydrogen 2.845 N/A VAL 230.A N ARG 226.A O no hydrogen 3.074 N/A ARG 231.A N ASP 227.A O no hydrogen 3.046 N/A ARG 231.A NH1 HIS 228.A ND1 no hydrogen 3.244 N/A ASN 232.A N HIS 228.A O no hydrogen 2.882 N/A ASN 232.A ND2 SER 205.A OG no hydrogen 3.110 N/A LEU 233.A N PHE 229.A O no hydrogen 2.835 N/A HIS 234.A N VAL 230.A O no hydrogen 3.057 N/A HIS 235.A N ARG 231.A O no hydrogen 2.871 N/A ASN 237.A N HIS 235.A ND1 no hydrogen 3.088 N/A GLY 238.A N HIS 235.A O no hydrogen 2.942 N/A GLY 239.A N HIS 235.A O no hydrogen 3.395 N/A GLU 240.A N SER 236.A O no hydrogen 2.868 N/A GLY 241.A N ASN 237.A O no hydrogen 2.699 N/A ILE 242.A N GLY 238.A O no hydrogen 3.150 N/A ALA 243.A N GLY 239.A O no hydrogen 3.041 N/A ALA 244.A N GLU 240.A O no hydrogen 2.784 N/A PHE 245.A N GLY 241.A O no hydrogen 3.126 N/A LEU 246.A N ILE 242.A O no hydrogen 2.906 N/A GLY 247.A N ALA 243.A O no hydrogen 2.775 N/A LYS 248.A N PHE 245.A O no hydrogen 3.067 N/A ARG 249.A N ALA 244.A O no hydrogen 2.927 N/A ARG 249.A NH1 GLU 240.A OE1 no hydrogen 3.495 N/A ARG 249.A NH1 GLU 240.A OE2 no hydrogen 2.705 N/A ARG 249.A NH2 GLU 240.A OE1 no hydrogen 2.920 N/A GLN 252.A N GLU 240.A OE2 no hydrogen 2.684 N/A GLN 252.A NE2 THR 250.A O no hydrogen 2.988 N/A