Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f1p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N VAL 1.A O no hydrogen 2.732 N/A GLN 6.A N VAL 2.A O no hydrogen 3.007 N/A GLN 6.A NE2 PRO 22.A O no hydrogen 2.637 N/A SER 7.A N GLN 4.A O no hydrogen 3.348 N/A SER 7.A OG GLN 4.A O no hydrogen 2.494 N/A VAL 8.A N VAL 5.A O no hydrogen 3.454 N/A ASN 11.A N VAL 8.A O no hydrogen 2.812 N/A ASN 11.A ND2 VAL 5.A O no hydrogen 2.853 N/A GLN 13.A N GLY 10.A O no hydrogen 3.498 N/A CYS 14.A N GLU 19.A O no hydrogen 2.651 N/A CYS 15.A N THR 32.A O no hydrogen 2.914 N/A CYS 15.A SG ASP 16.A OD1 no hydrogen 3.824 N/A CYS 15.A SG ASN 76.A OD1 no hydrogen 3.442 N/A CYS 15.A SG TYR 108.A OH no hydrogen 3.580 N/A ARG 18.A N CYS 14.A O no hydrogen 2.942 N/A ALA 21.A N ALA 12.A O no hydrogen 2.881 N/A TRP 24.A N LEU 33.A O no hydrogen 2.998 N/A ALA 25.A N ARG 52.A O no hydrogen 2.710 N/A SER 26.A N VAL 31.A O no hydrogen 2.833 N/A SER 26.A OG ASN 28.A OD1 no hydrogen 3.135 N/A SER 26.A OG SER 49.A OG no hydrogen 2.533 N/A ILE 27.A N LYS 50.A O no hydrogen 2.862 N/A ASN 28.A ND2 PHE 48.A O no hydrogen 3.056 N/A GLY 30.A N SER 26.A O no hydrogen 2.790 N/A VAL 31.A N SER 26.A O no hydrogen 3.166 N/A THR 32.A OG1 ASN 11.A O no hydrogen 2.896 N/A THR 32.A OG1 ASN 72.A OD1 no hydrogen 2.892 N/A LEU 33.A N TRP 24.A O no hydrogen 2.754 N/A SER 38.A N CYS 34.A O no hydrogen 2.876 N/A SER 38.A OG CYS 34.A O no hydrogen 3.281 N/A SER 38.A OG ILE 35.A O no hydrogen 2.824 N/A GLY 39.A N ILE 35.A O no hydrogen 3.072 N/A ILE 40.A N GLN 36.A O no hydrogen 3.241 N/A HIS 41.A N CYS 37.A O no hydrogen 2.877 N/A HIS 41.A ND1 CYS 37.A O no hydrogen 2.967 N/A ARG 42.A N SER 38.A O no hydrogen 3.103 N/A SER 43.A N ILE 40.A O no hydrogen 2.834 N/A LEU 44.A N HIS 41.A O no hydrogen 3.017 N/A PHE 48.A N GLY 45.A O no hydrogen 3.065 N/A SER 49.A N GLY 45.A O no hydrogen 3.117 N/A SER 49.A OG SER 26.A OG no hydrogen 2.533 N/A LYS 50.A N ASN 28.A OD1 no hydrogen 2.795 N/A LYS 50.A NZ GLN 178.A O no hydrogen 2.641 N/A ARG 52.A N ALA 25.A O no hydrogen 2.793 N/A ARG 52.A NH1 VAL 51.A O no hydrogen 2.810 N/A SER 53.A N ASP 57.A OD2 no hydrogen 2.740 N/A LEU 54.A N GLU 23.A O no hydrogen 2.935 N/A THR 55.A N SER 53.A OG no hydrogen 3.254 N/A THR 55.A OG1 SER 53.A OG no hydrogen 3.324 N/A LEU 56.A N SER 53.A OG no hydrogen 2.780 N/A TRP 59.A NE1 SER 53.A O no hydrogen 2.776 N/A LEU 63.A N GLU 60.A O no hydrogen 2.819 N/A VAL 64.A N GLU 60.A O no hydrogen 3.097 N/A LYS 65.A N PRO 61.A O no hydrogen 3.019 N/A LEU 66.A N GLU 62.A O no hydrogen 2.777 N/A MET 67.A N.A LEU 63.A O no hydrogen 2.985 N/A MET 67.A N.B LEU 63.A O no hydrogen 2.991 N/A CYS 68.A N VAL 64.A O no hydrogen 3.105 N/A CYS 68.A SG VAL 64.A O no hydrogen 3.254 N/A GLU 69.A N LYS 65.A O no hydrogen 3.174 N/A GLU 69.A N LEU 66.A O no hydrogen 3.164 N/A LEU 70.A N MET 67.A O.A no hydrogen 3.300 N/A LEU 70.A N MET 67.A O.B no hydrogen 3.327 N/A GLY 71.A N GLY 30.A O no hydrogen 2.922 N/A ASN 72.A N ASN 11.A OD1 no hydrogen 2.783 N/A ILE 75.A N GLY 71.A O no hydrogen 2.995 N/A ASN 76.A N ASN 72.A O no hydrogen 2.785 N/A ASN 76.A ND2 CYS 15.A O no hydrogen 3.326 N/A GLN 77.A N VAL 73.A O no hydrogen 3.042 N/A ILE 78.A N ILE 75.A O no hydrogen 3.111 N/A TYR 79.A N ILE 75.A O no hydrogen 2.751 N/A GLU 80.A N ASN 76.A O no hydrogen 2.810 N/A ALA 81.A N ILE 78.A O no hydrogen 3.361 N/A ARG 82.A N PHE 113.A O no hydrogen 2.772 N/A VAL 83.A N GLU 80.A O no hydrogen 3.269 N/A MET 86.A N ARG 82.A O no hydrogen 2.830 N/A VAL 88.A N VAL 83.A O no hydrogen 3.351 N/A LYS 90.A NZ CYS 15.A O no hydrogen 2.819 N/A LYS 90.A NZ GLU 80.A OE1 no hydrogen 2.777 N/A LYS 90.A NZ GLU 80.A OE2 no hydrogen 3.095 N/A CYS 95.A N GLY 92.A O no hydrogen 3.270 N/A SER 96.A OG GLN 98.A OE1 no hydrogen 2.818 N/A GLN 98.A N SER 96.A OG no hydrogen 3.016 N/A LYS 100.A N SER 96.A O no hydrogen 3.077 N/A LYS 100.A NZ GLN 36.A OE1 no hydrogen 2.647 N/A LYS 100.A NZ PRO 93.A O no hydrogen 2.936 N/A GLU 101.A N ARG 97.A O no hydrogen 2.745 N/A ALA 102.A N GLN 98.A O no hydrogen 2.975 N/A TRP 103.A N GLU 99.A O no hydrogen 3.094 N/A TRP 103.A NE1 GLU 80.A OE2 no hydrogen 2.898 N/A ILE 104.A N LYS 100.A O no hydrogen 2.889 N/A HIS 105.A N GLU 101.A O no hydrogen 2.962 N/A ALA 106.A N ALA 102.A O no hydrogen 3.151 N/A LYS 107.A N TRP 103.A O no hydrogen 2.834 N/A LYS 107.A NZ ASP 16.A OD1 no hydrogen 2.785 N/A LYS 107.A NZ ASN 76.A OD1 no hydrogen 2.764 N/A LYS 107.A NZ GLU 80.A OE2 no hydrogen 2.799 N/A LYS 107.A NZ TYR 108.A OH no hydrogen 3.495 N/A TYR 108.A N ILE 104.A O no hydrogen 2.959 N/A TYR 108.A OH ASP 16.A OD1 no hydrogen 2.666 N/A VAL 109.A N HIS 105.A O no hydrogen 3.066 N/A GLU 110.A N HIS 105.A O no hydrogen 2.925 N/A LYS 111.A NZ TYR 108.A O no hydrogen 2.514 N/A LYS 112.A N ALA 106.A O no hydrogen 2.808 N/A THR 115.A OG1 LEU 117.A O no hydrogen 2.628 N/A LEU 124.A N HIS 120.A O no hydrogen 2.958 N/A LEU 125.A N PRO 121.A O no hydrogen 2.932 N/A PHE 126.A N GLY 122.A O no hydrogen 2.981 N/A ARG 127.A N ALA 123.A O no hydrogen 2.880 N/A ARG 127.A NE ALA 123.A O no hydrogen 3.568 N/A ALA 128.A N LEU 124.A O no hydrogen 2.830 N/A SER 129.A N LEU 125.A O no hydrogen 2.903 N/A SER 129.A N PHE 126.A O no hydrogen 3.333 N/A SER 129.A OG LEU 125.A O no hydrogen 2.713 N/A GLY 130.A N ARG 127.A O no hydrogen 3.349 N/A SER 134.A N ALA 128.A O no hydrogen 2.930 N/A SER 134.A OG THR 137.A OG1 no hydrogen 2.697 N/A THR 137.A OG1 SER 134.A OG no hydrogen 2.697 N/A MET 138.A N SER 134.A O no hydrogen 2.946 N/A ALA 139.A N LEU 135.A O no hydrogen 2.897 N/A ASP 140.A N PRO 136.A O no hydrogen 2.981 N/A ALA 141.A N THR 137.A O no hydrogen 2.820 N/A LEU 142.A N MET 138.A O no hydrogen 2.931 N/A ALA 143.A N ALA 139.A O no hydrogen 2.941 N/A HIS 144.A N ASP 140.A O no hydrogen 3.197 N/A GLY 145.A N LEU 142.A O no hydrogen 3.023 N/A ALA 146.A N ALA 141.A O no hydrogen 3.077 N/A ASN 149.A N ASP 147.A OD1 no hydrogen 2.893 N/A TRP 150.A N ASP 147.A O no hydrogen 3.169 N/A ASN 152.A N ALA 158.A O no hydrogen 2.816 N/A ASN 152.A ND2 GLN 155.A OE1 no hydrogen 2.877 N/A ASN 152.A ND2 ASP 156.A OD1 no hydrogen 2.585 N/A ASN 157.A N ASN 152.A O no hydrogen 2.886 N/A ILE 162.A N THR 159.A OG1 no hydrogen 3.026 N/A GLN 163.A N THR 159.A O no hydrogen 2.970 N/A GLN 163.A NE2 PHE 126.A O no hydrogen 3.256 N/A ALA 164.A N PRO 160.A O no hydrogen 2.861 N/A THR 165.A N LEU 161.A O no hydrogen 2.928 N/A THR 165.A OG1 LEU 161.A O no hydrogen 2.874 N/A ALA 166.A N ILE 162.A O no hydrogen 2.925 N/A ALA 167.A N GLN 163.A O no hydrogen 3.003 N/A ASN 168.A N THR 165.A O no hydrogen 2.953 N/A SER 169.A N ALA 164.A O no hydrogen 2.978 N/A ALA 172.A N SER 169.A OG no hydrogen 3.242 N/A CYS 173.A N SER 169.A O no hydrogen 3.065 N/A CYS 173.A SG SER 169.A O no hydrogen 3.336 N/A GLU 174.A N LEU 170.A O no hydrogen 2.916 N/A PHE 175.A N LEU 171.A O no hydrogen 2.887 N/A LEU 176.A N ALA 172.A O no hydrogen 3.013 N/A LEU 177.A N CYS 173.A O no hydrogen 2.858 N/A GLN 178.A N GLU 174.A O no hydrogen 2.844 N/A GLN 178.A NE2 GLU 174.A OE2 no hydrogen 2.838 N/A ASN 179.A N PHE 175.A O no hydrogen 3.117 N/A ASN 179.A ND2 ASN 28.A O no hydrogen 2.936 N/A ASN 179.A ND2 PHE 175.A O no hydrogen 3.004 N/A GLY 180.A N LEU 177.A O no hydrogen 3.060 N/A ALA 181.A N LEU 176.A O no hydrogen 2.979 N/A ASN 184.A N ASN 182.A OD1 no hydrogen 2.800 N/A GLN 185.A N ASN 182.A O no hydrogen 3.237 N/A GLN 185.A NE2 ASN 149.A O no hydrogen 3.122 N/A ASP 187.A N ARG 191.A O no hydrogen 2.962 N/A SER 188.A N ASP 156.A O no hydrogen 3.415 N/A SER 188.A OG ASP 156.A O no hydrogen 3.488 N/A ALA 189.A N ASP 187.A OD1 no hydrogen 3.026 N/A GLY 190.A N ASP 187.A O no hydrogen 2.928 N/A ARG 191.A N ASP 187.A OD1 no hydrogen 2.836 N/A ARG 191.A NE ASP 187.A OD1 no hydrogen 3.538 N/A ARG 191.A NE ASP 187.A OD2 no hydrogen 2.972 N/A ARG 191.A NH2 ASP 187.A OD2 no hydrogen 2.975 N/A GLY 192.A N HIS 195.A ND1 no hydrogen 3.195 N/A HIS 195.A NE2 ARG 224.A O no hydrogen 3.057 N/A HIS 196.A N GLY 192.A O no hydrogen 3.091 N/A HIS 196.A NE2 ASP 187.A OD2 no hydrogen 2.985 N/A ALA 197.A N PRO 193.A O no hydrogen 2.811 N/A THR 198.A N LEU 194.A O no hydrogen 2.991 N/A THR 198.A OG1 LEU 194.A O no hydrogen 2.783 N/A ILE 199.A N HIS 195.A O no hydrogen 2.883 N/A LEU 200.A N HIS 196.A O no hydrogen 3.072 N/A GLY 201.A N THR 198.A O no hydrogen 3.196 N/A HIS 202.A N ALA 197.A O no hydrogen 2.894 N/A ALA 206.A N HIS 202.A O no hydrogen 3.014 N/A CYS 207.A N THR 203.A O no hydrogen 2.912 N/A LEU 208.A N GLY 204.A O no hydrogen 3.030 N/A PHE 209.A N LEU 205.A O no hydrogen 2.965 N/A LEU 210.A N ALA 206.A O no hydrogen 3.055 N/A LYS 211.A N CYS 207.A O no hydrogen 3.060 N/A LYS 211.A NZ GLU 60.A OE2 no hydrogen 2.903 N/A ARG 212.A N PHE 209.A O no hydrogen 3.067 N/A ARG 212.A NH1 GLU 174.A OE1 no hydrogen 2.878 N/A GLY 213.A N LEU 210.A O no hydrogen 3.383 N/A ALA 214.A N PHE 209.A O no hydrogen 3.001 N/A GLY 217.A N ASP 215.A OD1 no hydrogen 2.996 N/A ARG 219.A NH1 GLY 223.A O no hydrogen 2.731 N/A ASP 220.A N ARG 224.A O no hydrogen 2.900 N/A SER 221.A N ALA 189.A O no hydrogen 2.826 N/A SER 221.A OG ALA 189.A O no hydrogen 3.172 N/A GLU 222.A N ASP 220.A OD1 no hydrogen 2.977 N/A GLY 223.A N ASP 220.A O no hydrogen 2.959 N/A ARG 224.A N ASP 220.A OD1 no hydrogen 2.878 N/A ARG 224.A NE ASP 220.A OD2 no hydrogen 2.939 N/A ARG 224.A NH2 ASP 220.A OD2 no hydrogen 2.792 N/A THR 228.A N ASP 225.A OD1 no hydrogen 2.864 N/A THR 228.A OG1 ASP 225.A OD1 no hydrogen 2.509 N/A ILE 229.A N ASP 225.A O no hydrogen 3.325 N/A ALA 230.A N PRO 226.A O no hydrogen 2.918 N/A MET 231.A N LEU 227.A O no hydrogen 2.820 N/A GLU 232.A N THR 228.A O no hydrogen 2.860 N/A THR 233.A N ILE 229.A O no hydrogen 2.871 N/A THR 233.A OG1 ILE 229.A O no hydrogen 2.770 N/A THR 233.A OG1 ALA 230.A O no hydrogen 3.218 N/A ALA 234.A N MET 231.A O no hydrogen 2.969 N/A ASN 235.A N ALA 230.A O no hydrogen 2.980 N/A ILE 238.A N ASN 235.A OD1 no hydrogen 3.239 N/A VAL 239.A N ASN 235.A O no hydrogen 3.091 N/A THR 240.A N ALA 236.A O no hydrogen 3.056 N/A THR 240.A OG1 ALA 236.A O no hydrogen 2.787 N/A LEU 241.A N ASP 237.A O no hydrogen 2.964 N/A LEU 242.A N ILE 238.A O no hydrogen 2.914 N/A ARG 243.A N VAL 239.A O no hydrogen 2.954 N/A LEU 244.A N THR 240.A O no hydrogen 2.978 N/A ALA 245.A N LEU 241.A O no hydrogen 2.876 N/A LYS 246.A N LEU 242.A O no hydrogen 3.051 N/A MET 247.A N ARG 243.A O no hydrogen 3.215 N/A