Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4d10_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N PHE 155.A O no hydrogen 2.801 N/A SER 12.A N ARG 51.A O no hydrogen 2.921 N/A ALA 14.A N ILE 53.A O no hydrogen 2.801 N/A LEU 15.A N THR 161.A O no hydrogen 2.801 N/A HIS 16.A N VAL 55.A O no hydrogen 2.810 N/A HIS 16.A ND1 GLU 168.A OE1 no hydrogen 2.795 N/A HIS 16.A NE2 GLU 54.A OE2 no hydrogen 2.836 N/A LEU 18.A N GLU 168.A OE2 no hydrogen 3.166 N/A VAL 19.A N HIS 16.A O no hydrogen 2.997 N/A LEU 21.A N PRO 17.A O no hydrogen 3.005 N/A ASN 22.A N LEU 18.A O no hydrogen 2.802 N/A ASN 22.A ND2 ASN 57.A OD1 no hydrogen 2.987 N/A ASN 22.A ND2 SER 58.A OG no hydrogen 2.948 N/A ILE 23.A N VAL 19.A O no hydrogen 3.038 N/A SER 24.A N ILE 20.A O no hydrogen 2.890 N/A ASP 25.A N LEU 21.A O no hydrogen 2.804 N/A HIS 26.A N ASN 22.A O no hydrogen 2.882 N/A HIS 26.A ND1 TYR 97.A OH no hydrogen 2.798 N/A TRP 27.A N ILE 23.A O no hydrogen 2.940 N/A ILE 28.A N SER 24.A O no hydrogen 2.806 N/A ARG 29.A N ASP 25.A O no hydrogen 2.805 N/A ARG 29.A NH1 ASP 25.A OD2 no hydrogen 2.644 N/A ARG 29.A NH2 GLU 60.A OE1 no hydrogen 3.402 N/A MET 30.A N HIS 26.A O no hydrogen 3.045 N/A ARG 31.A N TRP 27.A O no hydrogen 2.902 N/A SER 32.A N ILE 28.A O no hydrogen 2.803 N/A GLN 33.A N ARG 29.A O no hydrogen 2.951 N/A GLU 34.A N MET 30.A O no hydrogen 2.886 N/A GLY 35.A N ARG 31.A O no hydrogen 2.800 N/A GLN 39.A NE2 THR 98.A OG1 no hydrogen 2.856 N/A VAL 40.A N THR 99.A OG1 no hydrogen 3.226 N/A GLY 42.A N TYR 97.A O no hydrogen 3.028 N/A ALA 43.A N PHE 59.A O no hydrogen 2.800 N/A LEU 44.A N GLY 95.A O no hydrogen 2.799 N/A ILE 45.A N ASN 57.A O no hydrogen 2.803 N/A GLY 46.A N GLU 92.A O no hydrogen 2.805 N/A LYS 47.A N GLU 54.A O no hydrogen 3.008 N/A LYS 47.A NZ GLU 90.A OE1 no hydrogen 3.332 N/A GLU 49.A N ASN 52.A O no hydrogen 2.802 N/A ASN 52.A N GLU 49.A O no hydrogen 3.134 N/A ASN 52.A ND2 GLU 49.A O no hydrogen 3.429 N/A ILE 53.A N SER 12.A O no hydrogen 2.802 N/A GLU 54.A N LYS 47.A O no hydrogen 2.801 N/A VAL 55.A N ALA 14.A O no hydrogen 2.800 N/A MET 56.A N ILE 45.A O no hydrogen 2.979 N/A ASN 57.A N ILE 45.A O no hydrogen 3.064 N/A SER 58.A N ASN 57.A OD1 no hydrogen 2.856 N/A PHE 59.A N ALA 43.A O no hydrogen 3.046 N/A LEU 61.A N ILE 41.A O no hydrogen 2.982 N/A HIS 64.A N ILE 71.A O no hydrogen 2.911 N/A VAL 66.A N LYS 69.A O no hydrogen 2.801 N/A LYS 69.A N VAL 66.A O no hydrogen 2.858 N/A ILE 71.A N HIS 64.A O no hydrogen 2.797 N/A ILE 72.A N GLN 113.A OE1 no hydrogen 2.790 N/A ASP 73.A N LEU 62.A O no hydrogen 2.810 N/A LYS 74.A NZ GLU 116.A OE2 no hydrogen 3.124 N/A TYR 76.A N ASP 73.A OD1 no hydrogen 2.920 N/A TYR 77.A N ASP 73.A O no hydrogen 3.311 N/A TYR 77.A OH GLU 81.A OE2 no hydrogen 2.937 N/A TYR 78.A N LYS 74.A O no hydrogen 3.004 N/A THR 79.A N GLU 75.A O no hydrogen 2.960 N/A THR 79.A OG1 GLU 75.A O no hydrogen 2.989 N/A LYS 80.A N TYR 76.A O no hydrogen 2.805 N/A GLU 81.A N TYR 77.A O no hydrogen 2.798 N/A GLU 82.A N TYR 78.A O no hydrogen 3.058 N/A GLN 83.A N THR 79.A O no hydrogen 3.142 N/A PHE 84.A N LYS 80.A O no hydrogen 2.804 N/A LYS 85.A N GLU 81.A O no hydrogen 3.029 N/A LYS 85.A NZ LEU 91.A O no hydrogen 2.778 N/A LYS 85.A NZ GLU 92.A OE1 no hydrogen 3.339 N/A LYS 85.A NZ GLU 92.A OE2 no hydrogen 2.993 N/A GLN 86.A N GLN 83.A O no hydrogen 3.166 N/A GLN 86.A NE2 GLU 82.A O no hydrogen 3.445 N/A VAL 87.A N PHE 84.A O no hydrogen 3.221 N/A PHE 88.A N PHE 84.A O no hydrogen 2.800 N/A LEU 91.A N PHE 88.A O no hydrogen 3.087 N/A GLU 92.A N GLY 46.A O no hydrogen 2.800 N/A LEU 94.A N LEU 44.A O no hydrogen 2.801 N/A GLY 95.A N LEU 44.A O no hydrogen 3.341 N/A TRP 96.A N LEU 122.A O no hydrogen 2.990 N/A TRP 96.A NE1 HIS 111.A ND1 no hydrogen 3.017 N/A TYR 97.A N GLY 42.A O no hydrogen 2.802 N/A TYR 97.A OH HIS 26.A ND1 no hydrogen 2.798 N/A THR 98.A N LEU 124.A O no hydrogen 3.050 N/A THR 98.A OG1 VAL 40.A O no hydrogen 2.668 N/A GLY 100.A N LEU 126.A O no hydrogen 2.803 N/A ASP 104.A N ASP 107.A OD2 no hydrogen 3.014 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.664 N/A ASP 107.A N ASP 104.A OD1 no hydrogen 2.941 N/A ILE 108.A N ASP 104.A O no hydrogen 3.296 N/A HIS 109.A N PRO 105.A O no hydrogen 3.017 N/A VAL 110.A N SER 106.A O no hydrogen 2.988 N/A HIS 111.A N ASP 107.A O no hydrogen 2.799 N/A HIS 111.A NE2 SER 142.A OG no hydrogen 2.904 N/A LYS 112.A N ILE 108.A O no hydrogen 2.932 N/A GLN 113.A N HIS 109.A O no hydrogen 3.280 N/A GLN 113.A NE2 ILE 70.A O no hydrogen 2.763 N/A GLN 113.A NE2 HIS 109.A O no hydrogen 3.475 N/A VAL 114.A N VAL 110.A O no hydrogen 2.929 N/A CYS 115.A N HIS 111.A O no hydrogen 2.800 N/A CYS 115.A SG HIS 111.A O no hydrogen 3.285 N/A GLU 116.A N LYS 112.A O no hydrogen 3.163 N/A GLU 116.A N GLN 113.A O no hydrogen 3.157 N/A ILE 117.A N VAL 114.A O no hydrogen 2.801 N/A ILE 118.A N VAL 114.A O no hydrogen 3.088 N/A LEU 122.A N LEU 94.A O no hydrogen 2.803 N/A PHE 123.A N PHE 140.A O no hydrogen 2.913 N/A LEU 124.A N TRP 96.A O no hydrogen 2.804 N/A LYS 125.A N SER 138.A O no hydrogen 2.801 N/A LYS 125.A NZ ASP 107.A OD1 no hydrogen 2.925 N/A LYS 125.A NZ ASP 107.A OD2 no hydrogen 2.723 N/A LEU 126.A N THR 98.A O no hydrogen 3.018 N/A ASN 127.A N PRO 136.A O no hydrogen 2.945 N/A MET 129.A N ASN 127.A OD1 no hydrogen 3.078 N/A HIS 132.A N THR 130.A OG1 no hydrogen 3.266 N/A VAL 137.A N LEU 135.A O no hydrogen 2.851 N/A SER 138.A N LYS 125.A O no hydrogen 2.938 N/A SER 138.A OG GLU 157.A OE2 no hydrogen 2.666 N/A PHE 140.A N PHE 123.A O no hydrogen 2.799 N/A GLU 141.A N ALA 156.A O no hydrogen 2.803 N/A SER 142.A OG HIS 111.A NE2 no hydrogen 2.904 N/A VAL 143.A N LEU 154.A O no hydrogen 2.800 N/A ASP 145.A N THR 152.A O no hydrogen 2.803 N/A ILE 147.A N GLU 150.A O no hydrogen 3.064 N/A GLU 150.A N ILE 147.A O no hydrogen 3.007 N/A THR 152.A N ASP 145.A O no hydrogen 2.798 N/A LEU 154.A N VAL 143.A O no hydrogen 2.801 N/A ALA 156.A N GLU 141.A O no hydrogen 2.800 N/A LEU 158.A N VAL 139.A O no hydrogen 2.802 N/A TYR 160.A OH VAL 137.A O no hydrogen 2.840 N/A THR 161.A N VAL 13.A O no hydrogen 3.005 N/A ALA 163.A N LEU 15.A O no hydrogen 2.803 N/A ALA 167.A N GLU 165.A OE1 no hydrogen 3.450 N/A ARG 169.A N GLU 165.A O no hydrogen 2.804 N/A ILE 170.A N GLU 166.A O no hydrogen 3.053 N/A GLY 171.A N ALA 167.A O no hydrogen 2.973 N/A VAL 172.A N GLU 168.A O no hydrogen 2.798 N/A ASP 173.A N ARG 169.A O no hydrogen 2.802 N/A HIS 174.A N ILE 170.A O no hydrogen 2.800 N/A VAL 175.A N GLY 171.A O no hydrogen 2.804 N/A ALA 176.A N VAL 172.A O no hydrogen 2.801 N/A ARG 177.A N ASP 173.A O no hydrogen 2.800 N/A MET 178.A N HIS 174.A O no hydrogen 2.984 N/A HIS 185.A N VAL 182.A O no hydrogen 3.064 N/A LEU 186.A N VAL 182.A O no hydrogen 3.311 N/A HIS 190.A N LEU 186.A O no hydrogen 2.927 N/A SER 191.A N ILE 187.A O no hydrogen 2.956 N/A SER 191.A OG ILE 187.A O no hydrogen 3.249 N/A SER 191.A OG ALA 188.A O no hydrogen 2.785 N/A ALA 192.A N ALA 188.A O no hydrogen 3.017 N/A ILE 193.A N GLN 189.A O no hydrogen 2.800 N/A LYS 194.A N HIS 190.A O no hydrogen 2.988 N/A MET 195.A N SER 191.A O no hydrogen 2.958 N/A LEU 196.A N ALA 192.A O no hydrogen 2.998 N/A HIS 197.A N ILE 193.A O no hydrogen 2.801 N/A SER 198.A N LYS 194.A O no hydrogen 2.995 N/A ARG 199.A N MET 195.A O no hydrogen 3.061 N/A VAL 200.A N LEU 196.A O no hydrogen 2.802 N/A LYS 201.A N HIS 197.A O no hydrogen 2.886 N/A LEU 202.A N SER 198.A O no hydrogen 2.804 N/A ILE 203.A N ARG 199.A O no hydrogen 3.000 N/A LEU 204.A N VAL 200.A O no hydrogen 2.976 N/A GLU 205.A N LYS 201.A O no hydrogen 2.888 N/A TYR 206.A N LEU 202.A O no hydrogen 3.002 N/A VAL 207.A N ILE 203.A O no hydrogen 2.976 N/A LYS 208.A N LEU 204.A O no hydrogen 3.029 N/A LYS 208.A NZ GLU 205.A OE2 no hydrogen 3.142 N/A ALA 209.A N GLU 205.A O no hydrogen 2.938 N/A SER 210.A N TYR 206.A O no hydrogen 2.955 N/A SER 210.A OG TYR 206.A O no hydrogen 3.008 N/A GLU 211.A N VAL 207.A O no hydrogen 2.953 N/A ALA 212.A N LYS 208.A O no hydrogen 2.801 N/A GLY 213.A N ALA 209.A O no hydrogen 3.128 N/A VAL 215.A N GLY 213.A O no hydrogen 2.770 N/A GLU 220.A N ASN 218.A OD1 no hydrogen 3.074 N/A ILE 221.A N ASN 218.A OD1 no hydrogen 3.280 N/A ARG 223.A N HIS 219.A O no hydrogen 3.238 N/A ARG 223.A NE GLU 220.A O no hydrogen 3.552 N/A GLU 224.A N GLU 220.A O no hydrogen 3.184 N/A ALA 225.A N ILE 221.A O no hydrogen 2.929 N/A TYR 226.A N LEU 222.A O no hydrogen 2.828 N/A ALA 227.A N ARG 223.A O no hydrogen 2.923 N/A LEU 228.A N GLU 224.A O no hydrogen 2.797 N/A CYS 229.A N ALA 225.A O no hydrogen 2.887 N/A HIS 230.A N TYR 226.A O no hydrogen 3.050 N/A CYS 231.A N LEU 228.A O no hydrogen 3.175 N/A CYS 231.A SG ALA 227.A O no hydrogen 3.339 N/A LEU 232.A N CYS 229.A O no hydrogen 3.456 N/A LYS 241.A N THR 237.A O no hydrogen 3.218 N/A THR 242.A N ASP 238.A O no hydrogen 2.948 N/A THR 242.A OG1 ASP 238.A O no hydrogen 2.723 N/A ASP 243.A N LYS 239.A O no hydrogen 2.972 N/A PHE 244.A N PHE 240.A O no hydrogen 2.796 N/A TYR 245.A N LYS 241.A O no hydrogen 2.987 N/A ASP 246.A N THR 242.A O no hydrogen 2.813 N/A GLN 247.A N ASP 243.A O no hydrogen 2.943 N/A CYS 248.A N PHE 244.A O no hydrogen 2.991 N/A CYS 248.A SG PHE 244.A O no hydrogen 3.322 N/A ASN 249.A N TYR 245.A O no hydrogen 2.863 N/A ASP 250.A N ASP 246.A O no hydrogen 2.960 N/A VAL 251.A N GLN 247.A O no hydrogen 3.001 N/A GLY 252.A N CYS 248.A O no hydrogen 2.884 N/A LEU 253.A N ASN 249.A O no hydrogen 2.804 N/A MET 254.A N ASP 250.A O no hydrogen 3.008 N/A ALA 255.A N VAL 251.A O no hydrogen 2.800 N/A TYR 256.A N GLY 252.A O no hydrogen 2.959 N/A LEU 257.A N LEU 253.A O no hydrogen 2.924 N/A GLY 258.A N MET 254.A O no hydrogen 2.927 N/A THR 259.A N ALA 255.A O no hydrogen 2.921 N/A THR 259.A OG1 ALA 255.A O no hydrogen 2.971 N/A THR 259.A OG1 TYR 256.A O no hydrogen 2.751 N/A ILE 260.A N TYR 256.A O no hydrogen 2.963 N/A THR 261.A N LEU 257.A O no hydrogen 2.999 N/A THR 261.A OG1 LEU 257.A O no hydrogen 2.735 N/A LYS 262.A N GLY 258.A O no hydrogen 3.028 N/A THR 263.A N THR 259.A O no hydrogen 2.935 N/A THR 263.A OG1 THR 259.A O no hydrogen 2.718 N/A CYS 264.A N ILE 260.A O no hydrogen 2.803 N/A ASN 265.A N THR 261.A O no hydrogen 3.027 N/A THR 266.A N LYS 262.A O no hydrogen 2.942 N/A THR 266.A OG1 LYS 262.A O no hydrogen 2.865 N/A MET 267.A N THR 263.A O no hydrogen 2.805 N/A ASN 268.A N CYS 264.A O no hydrogen 3.028 N/A GLN 269.A N ASN 265.A O no hydrogen 2.947 N/A PHE 270.A N THR 266.A O no hydrogen 3.078 N/A VAL 271.A N MET 267.A O no hydrogen 3.005 N/A ASN 272.A N ASN 268.A O no hydrogen 2.980 N/A LYS 273.A N GLN 269.A O no hydrogen 3.075 N/A PHE 274.A N PHE 270.A O no hydrogen 2.805 N/A ASN 275.A N VAL 271.A O no hydrogen 2.986 N/A VAL 276.A N LYS 273.A O no hydrogen 3.186 N/A LEU 277.A N LYS 273.A O no hydrogen 3.049 N/A TYR 278.A N PHE 274.A O no hydrogen 3.109 N/A ARG 280.A NH2 VAL 276.A O no hydrogen 3.436 N/A GLN 281.A N ASN 275.A O no hydrogen 3.155 N/A