Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ncc_1.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 26.A OG no hydrogen 2.737 N/A THR 5.A N SER 24.A O no hydrogen 2.826 N/A GLN 6.A NE2 TYR 85.A O no hydrogen 3.144 N/A GLN 6.A NE2 THR 101.A OG1 no hydrogen 3.001 N/A SER 7.A N THR 22.A O no hydrogen 2.875 N/A MET 11.A N LYS 102.A O no hydrogen 3.110 N/A ALA 13.A N GLU 104.A O no hydrogen 2.680 N/A SER 14.A N GLU 17.A OE1 no hydrogen 2.818 N/A SER 14.A OG GLU 17.A OE1 no hydrogen 3.562 N/A GLY 16.A N MET 77.A O no hydrogen 2.723 N/A GLU 17.A N SER 14.A O no hydrogen 3.085 N/A VAL 19.A N ILE 74.A O no hydrogen 2.777 N/A ILE 21.A N LEU 72.A O no hydrogen 2.936 N/A THR 22.A N SER 7.A O no hydrogen 2.696 N/A CYS 23.A N TYR 70.A O no hydrogen 2.737 N/A SER 24.A N THR 5.A O no hydrogen 2.815 N/A ALA 25.A N THR 68.A O no hydrogen 2.996 N/A SER 26.A N VAL 3.A O no hydrogen 3.021 N/A VAL 29.A N GLY 67.A O no hydrogen 2.789 N/A SER 30.A N SER 91.A OG no hydrogen 3.137 N/A MET 32.A N THR 50.A OG1 no hydrogen 3.263 N/A HIS 33.A N GLN 88.A O no hydrogen 2.802 N/A TRP 34.A N ILE 47.A O no hydrogen 2.787 N/A PHE 35.A N TYR 86.A O no hydrogen 2.855 N/A GLN 36.A N LYS 44.A O no hydrogen 2.779 N/A GLN 36.A NE2 TYR 85.A OH no hydrogen 2.926 N/A GLN 37.A N THR 84.A O no hydrogen 2.802 N/A GLN 37.A NE2 THR 41.A O no hydrogen 3.090 N/A LYS 38.A NZ GLU 80.A O no hydrogen 2.710 N/A THR 41.A N LYS 38.A O no hydrogen 3.183 N/A THR 41.A OG1 LYS 38.A O no hydrogen 3.173 N/A LYS 44.A N GLN 36.A O no hydrogen 2.796 N/A TRP 46.A N TRP 34.A O no hydrogen 2.788 N/A ILE 47.A N TRP 34.A O no hydrogen 3.048 N/A TYR 48.A N ASN 52.A O no hydrogen 2.917 N/A THR 50.A N MET 32.A O no hydrogen 2.783 N/A SER 51.A N SER 49.A O no hydrogen 2.789 N/A ASN 52.A N TYR 48.A O no hydrogen 3.248 N/A ALA 54.A N TRP 46.A O no hydrogen 2.691 N/A VAL 57.A N ALA 54.A O no hydrogen 3.206 N/A ARG 60.A NE ASP 81.A OD1 no hydrogen 3.379 N/A ARG 60.A NE ASP 81.A OD2 no hydrogen 2.647 N/A ARG 60.A NH2 GLU 80.A OE2 no hydrogen 3.124 N/A ARG 60.A NH2 ASP 81.A OD1 no hydrogen 2.597 N/A ARG 60.A NH2 ASP 81.A OD2 no hydrogen 3.375 N/A PHE 61.A N PRO 58.A O no hydrogen 3.353 N/A SER 62.A OG THR 73.A O no hydrogen 3.502 N/A SER 64.A N SER 71.A O no hydrogen 3.184 N/A SER 66.A N SER 69.A O no hydrogen 3.360 N/A SER 69.A N SER 66.A O no hydrogen 3.177 N/A TYR 70.A N CYS 23.A O no hydrogen 2.868 N/A TYR 70.A OH VAL 29.A O no hydrogen 2.835 N/A SER 71.A N SER 64.A O no hydrogen 2.923 N/A LEU 72.A N ILE 21.A O no hydrogen 2.959 N/A THR 73.A N SER 62.A O no hydrogen 2.949 N/A ILE 74.A N VAL 19.A O no hydrogen 2.848 N/A SER 75.A N ARG 60.A O no hydrogen 2.993 N/A SER 75.A OG ARG 60.A O no hydrogen 3.554 N/A MET 77.A N GLU 17.A O no hydrogen 2.660 N/A GLU 78.A N ASP 81.A OD2 no hydrogen 3.244 N/A ASP 81.A N GLU 78.A O no hydrogen 2.737 N/A ALA 82.A N ALA 79.A O no hydrogen 3.235 N/A THR 84.A N GLN 37.A O no hydrogen 2.836 N/A TYR 85.A N THR 101.A O no hydrogen 2.868 N/A TYR 85.A OH ASP 81.A O no hydrogen 2.678 N/A TYR 86.A N PHE 35.A O no hydrogen 2.983 N/A CYS 87.A N GLN 6.A OE1 no hydrogen 2.779 N/A CYS 87.A SG GLN 6.A OE1 no hydrogen 3.133 N/A GLN 88.A N HIS 33.A O no hydrogen 2.810 N/A GLN 89.A N THR 96.A O no hydrogen 3.201 N/A GLN 89.A NE2 SER 92.A O no hydrogen 3.272 N/A GLN 89.A NE2 PRO 94.A O no hydrogen 3.156 N/A GLN 89.A NE2 THR 96.A OG1 no hydrogen 2.880 N/A ARG 90.A NH1 HIS 33.A NE2 no hydrogen 3.168 N/A ARG 90.A NH1 SER 49.A OG no hydrogen 3.144 N/A SER 91.A N GLN 89.A OE1 no hydrogen 2.977 N/A SER 92.A OG TYR 93.A O no hydrogen 3.344 N/A THR 96.A OG1 ILE 2.A O no hydrogen 2.831 N/A GLY 98.A N CYS 87.A O no hydrogen 2.809 N/A THR 101.A N TYR 85.A O no hydrogen 2.792 N/A THR 101.A OG1 PRO 8.A O no hydrogen 2.716 N/A LYS 102.A N ALA 9.A O no hydrogen 2.869 N/A LYS 102.A NZ ASP 164.A OD1 no hydrogen 3.115 N/A LEU 103.A N ALA 83.A O no hydrogen 2.697 N/A GLU 104.A N MET 11.A O no hydrogen 2.860 N/A ILE 105.A N GLN 165.A OE1 no hydrogen 3.109 N/A LYS 106.A N ALA 13.A O no hydrogen 2.860 N/A ARG 107.A NE ALA 108.A O no hydrogen 2.615 N/A ARG 107.A NH1 ASP 169.A O no hydrogen 3.235 N/A ARG 107.A NH2 ALA 108.A O no hydrogen 3.032 N/A ALA 110.A N TYR 139.A O no hydrogen 2.785 N/A THR 113.A N ASN 136.A O no hydrogen 2.876 N/A SER 115.A N PHE 134.A O no hydrogen 2.824 N/A PHE 117.A N VAL 132.A O no hydrogen 2.719 N/A GLN 123.A N SER 120.A OG no hydrogen 3.156 N/A GLN 123.A NE2 SER 130.A OG no hydrogen 2.841 N/A LEU 124.A N SER 120.A O no hydrogen 3.113 N/A THR 125.A N SER 121.A O no hydrogen 3.052 N/A THR 125.A N GLU 122.A O no hydrogen 3.290 N/A THR 125.A OG1 GLU 122.A O no hydrogen 2.566 N/A SER 126.A N GLN 123.A O no hydrogen 2.851 N/A SER 126.A OG GLN 123.A O no hydrogen 2.790 N/A GLY 127.A N LEU 124.A O no hydrogen 3.463 N/A ALA 129.A N LEU 180.A O no hydrogen 2.939 N/A SER 130.A N GLN 123.A OE1 no hydrogen 2.881 N/A SER 130.A OG THR 179.A OG1 no hydrogen 3.137 N/A VAL 131.A N LEU 178.A O no hydrogen 2.870 N/A VAL 132.A N PHE 117.A O no hydrogen 2.931 N/A CYS 133.A N SER 176.A O no hydrogen 2.802 N/A CYS 133.A SG SER 115.A O no hydrogen 3.285 N/A PHE 134.A N SER 115.A O no hydrogen 2.623 N/A LEU 135.A N MET 174.A O no hydrogen 2.913 N/A ASN 136.A N THR 113.A O no hydrogen 2.925 N/A ASN 137.A N SER 173.A OG no hydrogen 3.149 N/A ASN 137.A ND2 ASP 169.A OD2 no hydrogen 3.085 N/A PHE 138.A N TYR 172.A O no hydrogen 2.893 N/A TYR 139.A N ALA 110.A O no hydrogen 3.027 N/A LYS 141.A NZ GLU 104.A OE2 no hydrogen 2.400 N/A ASN 144.A N THR 196.A O no hydrogen 3.178 N/A LYS 146.A N GLU 194.A O no hydrogen 2.809 N/A LYS 146.A NZ GLU 194.A OE2 no hydrogen 2.905 N/A TRP 147.A NE1 SER 176.A OG no hydrogen 3.180 N/A LYS 148.A N THR 192.A O no hydrogen 2.981 N/A LYS 148.A NZ GLU 194.A OE1 no hydrogen 3.091 N/A ILE 149.A N SER 152.A O no hydrogen 2.830 N/A ASP 150.A N SER 190.A O no hydrogen 2.960 N/A SER 152.A N ILE 149.A O no hydrogen 2.991 N/A ARG 154.A N TRP 147.A O no hydrogen 2.590 N/A LEU 159.A N THR 177.A O no hydrogen 2.753 N/A SER 161.A N SER 175.A O no hydrogen 3.096 N/A THR 163.A N SER 173.A O no hydrogen 2.911 N/A THR 163.A OG1 ASP 164.A O no hydrogen 3.388 N/A GLN 165.A NE2 ILE 105.A O no hydrogen 2.650 N/A GLN 165.A NE2 SER 170.A O no hydrogen 2.793 N/A ASP 166.A N THR 171.A O no hydrogen 2.949 N/A LYS 168.A N ASP 166.A OD1 no hydrogen 2.593 N/A SER 170.A N ASP 166.A O no hydrogen 2.953 N/A THR 171.A N ASP 169.A OD1 no hydrogen 3.169 N/A THR 171.A OG1 PHE 138.A O no hydrogen 2.918 N/A TYR 172.A N PHE 138.A O no hydrogen 2.802 N/A TYR 172.A OH GLU 104.A OE1 no hydrogen 2.193 N/A MET 174.A N LEU 135.A O no hydrogen 2.958 N/A SER 175.A N SER 161.A O no hydrogen 3.125 N/A SER 176.A N CYS 133.A O no hydrogen 2.791 N/A SER 176.A OG ASN 160.A OD1 no hydrogen 2.460 N/A THR 177.A N LEU 159.A O no hydrogen 2.989 N/A LEU 178.A N VAL 131.A O no hydrogen 2.875 N/A THR 179.A N GLY 157.A O no hydrogen 2.983 N/A THR 179.A OG1 SER 130.A OG no hydrogen 3.137 N/A LEU 180.A N ALA 129.A O no hydrogen 2.708 N/A LYS 182.A N GLY 127.A O no hydrogen 3.354 N/A LYS 182.A NZ LEU 124.A O no hydrogen 2.892 N/A GLU 184.A N THR 181.A OG1 no hydrogen 3.072 N/A TYR 185.A N THR 181.A O no hydrogen 2.952 N/A GLU 186.A N LYS 182.A O no hydrogen 2.995 N/A ARG 187.A N GLU 184.A O no hydrogen 2.990 N/A ARG 187.A NE ASP 183.A OD1 no hydrogen 3.314 N/A ARG 187.A NH1 ASP 183.A OD1 no hydrogen 3.042 N/A ARG 187.A NH1 ASP 183.A OD2 no hydrogen 3.211 N/A HIS 188.A N TYR 185.A O no hydrogen 3.301 N/A HIS 188.A ND1 ASP 150.A OD2 no hydrogen 3.099 N/A ASN 189.A N ASP 150.A OD1 no hydrogen 2.990 N/A ASN 189.A N ASP 150.A OD2 no hydrogen 3.420 N/A SER 190.A N ASP 150.A OD1 no hydrogen 2.878 N/A SER 190.A OG ASP 150.A OD1 no hydrogen 3.220 N/A TYR 191.A N PHE 208.A O no hydrogen 2.940 N/A TYR 191.A OH TYR 185.A O no hydrogen 2.667 N/A THR 192.A N LYS 148.A O no hydrogen 2.893 N/A THR 192.A OG1 SER 207.A OG no hydrogen 2.544 N/A CYS 193.A N LYS 206.A O no hydrogen 2.770 N/A GLU 194.A N LYS 146.A O no hydrogen 2.893 N/A ALA 195.A N ILE 204.A O no hydrogen 2.847 N/A THR 196.A N ASN 144.A O no hydrogen 2.790 N/A HIS 197.A ND1 THR 199.A OG1 no hydrogen 2.538 N/A HIS 197.A NE2 PRO 140.A O no hydrogen 2.862 N/A LYS 198.A NZ ASP 109.A OD2 no hydrogen 2.721 N/A THR 199.A OG1 HIS 197.A ND1 no hydrogen 2.538 N/A SER 200.A N HIS 197.A O no hydrogen 3.087 N/A SER 200.A OG SER 202.A O no hydrogen 3.376 N/A SER 202.A N SER 200.A OG no hydrogen 3.043 N/A ILE 204.A N ALA 195.A O no hydrogen 2.658 N/A LYS 206.A N CYS 193.A O no hydrogen 2.805 N/A LYS 206.A NZ VAL 114.A O no hydrogen 3.259 N/A SER 207.A OG TYR 191.A O no hydrogen 3.273 N/A SER 207.A OG THR 192.A OG1 no hydrogen 2.544 N/A SER 207.A OG LYS 206.A O no hydrogen 3.069 N/A PHE 208.A N TYR 191.A O no hydrogen 3.148 N/A ARG 210.A N ASN 189.A O no hydrogen 3.114 N/A ARG 210.A NH1 HIS 188.A O no hydrogen 2.711 N/A