Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wcf_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 85.A OD2 no hydrogen 2.700 N/A ALA 5.A N ARG 28.A O no hydrogen 2.833 N/A VAL 6.A N VAL 86.A O no hydrogen 2.850 N/A VAL 7.A N VAL 30.A O no hydrogen 3.068 N/A THR 8.A N VAL 88.A O no hydrogen 3.077 N/A THR 8.A OG1 VAL 88.A O no hydrogen 3.375 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.852 N/A ALA 10.A N HIS 32.A O no hydrogen 2.902 N/A ARG 13.A NH1 LEU 185.A O no hydrogen 3.478 N/A ARG 13.A NH2 LEU 185.A O no hydrogen 3.018 N/A ARG 16.A N LYS 12.A O no hydrogen 3.156 N/A ARG 16.A NH2 GLU 46.A OE2 no hydrogen 3.014 N/A ALA 17.A N ARG 13.A O no hydrogen 3.117 N/A ILE 18.A N ILE 14.A O no hydrogen 2.920 N/A ALA 19.A N GLY 15.A O no hydrogen 2.895 N/A VAL 20.A N ARG 16.A O no hydrogen 2.893 N/A LYS 21.A N ALA 17.A O no hydrogen 2.985 N/A LYS 21.A NZ ASP 215.A OD1 no hydrogen 3.308 N/A LEU 22.A N ILE 18.A O no hydrogen 2.904 N/A HIS 23.A N ALA 19.A O no hydrogen 2.892 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.588 N/A GLN 24.A N VAL 20.A O no hydrogen 2.814 N/A THR 25.A N LEU 22.A O no hydrogen 3.043 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.718 N/A GLY 26.A N HIS 23.A O no hydrogen 2.926 N/A TYR 27.A N LEU 22.A O no hydrogen 2.918 N/A ARG 28.A N PRO 3.A O no hydrogen 2.926 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.533 N/A ARG 28.A NH2 PHE 81.A O no hydrogen 3.389 N/A VAL 29.A N THR 54.A O no hydrogen 2.768 N/A VAL 30.A N ALA 5.A O no hydrogen 2.828 N/A ILE 31.A N VAL 56.A O no hydrogen 2.747 N/A HIS 32.A N VAL 7.A O no hydrogen 3.091 N/A HIS 32.A NE2 ALA 59.A O no hydrogen 2.815 N/A ALA 37.A N ASN 35.A O no hydrogen 3.051 N/A ALA 40.A N SER 36.A O no hydrogen 2.927 N/A VAL 41.A N ALA 37.A O no hydrogen 2.932 N/A SER 42.A N GLU 38.A O no hydrogen 2.940 N/A LEU 43.A N ALA 39.A O no hydrogen 2.931 N/A ALA 44.A N ALA 40.A O no hydrogen 2.983 N/A ASP 45.A N VAL 41.A O no hydrogen 2.896 N/A GLU 46.A N SER 42.A O no hydrogen 3.104 N/A LEU 47.A N LEU 43.A O no hydrogen 2.795 N/A ASN 48.A N ALA 44.A O no hydrogen 2.809 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.909 N/A LYS 49.A N ASP 45.A O no hydrogen 2.768 N/A GLU 50.A N GLU 46.A O no hydrogen 3.190 N/A ARG 51.A N LEU 47.A O no hydrogen 3.094 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 3.193 N/A ARG 51.A NH1 GLU 50.A OE1 no hydrogen 3.466 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 2.917 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.678 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.588 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.701 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.955 N/A VAL 56.A N VAL 29.A O no hydrogen 3.039 N/A GLN 58.A NE2 HIS 34.A O no hydrogen 3.009 N/A ALA 59.A N TYR 33.A O no hydrogen 3.026 N/A THR 62.A N ASP 60.A OD1 no hydrogen 2.926 N/A THR 62.A OG1 ASP 60.A OD1 no hydrogen 2.636 N/A ASN 63.A N ALA 109.A O no hydrogen 2.906 N/A VAL 66.A N SER 64.A OG no hydrogen 2.854 N/A LEU 67.A N SER 64.A O no hydrogen 3.176 N/A SER 70.A N VAL 66.A O no hydrogen 2.942 N/A SER 70.A OG VAL 66.A O no hydrogen 3.070 N/A GLU 72.A N ALA 69.A O no hydrogen 2.851 N/A ILE 73.A N SER 70.A O no hydrogen 3.002 N/A ASN 75.A N GLU 71.A O no hydrogen 2.836 N/A SER 76.A N GLU 72.A O no hydrogen 2.727 N/A SER 76.A OG ILE 73.A O no hydrogen 2.834 N/A CYS 77.A N ILE 73.A O no hydrogen 3.459 N/A CYS 77.A N ILE 74.A O no hydrogen 3.040 N/A CYS 77.A SG ARG 83.A O no hydrogen 3.287 N/A PHE 78.A N ILE 74.A O no hydrogen 3.358 N/A ARG 79.A N ASN 75.A O no hydrogen 2.962 N/A ALA 80.A N SER 76.A O no hydrogen 2.860 N/A PHE 81.A N CYS 77.A O no hydrogen 2.913 N/A GLY 82.A N PHE 78.A O no hydrogen 2.561 N/A ARG 83.A NE ASP 85.A OD1 no hydrogen 3.374 N/A ARG 83.A NH1 GLU 1.A OE2 no hydrogen 3.307 N/A ARG 83.A NH2 ASP 85.A OD1 no hydrogen 2.726 N/A CYS 84.A SG VAL 86.A O no hydrogen 3.885 N/A ASP 85.A N ALA 4.A O no hydrogen 2.765 N/A VAL 86.A N ALA 4.A O no hydrogen 3.143 N/A LEU 87.A N SER 133.A O no hydrogen 3.230 N/A VAL 88.A N VAL 6.A O no hydrogen 2.791 N/A ASN 89.A N VAL 135.A O no hydrogen 2.846 N/A ASN 89.A ND2 ASN 136.A OD1 no hydrogen 2.788 N/A ASN 90.A N THR 8.A OG1 no hydrogen 2.805 N/A ASN 90.A ND2 THR 8.A O no hydrogen 3.113 N/A ALA 91.A N THR 8.A OG1 no hydrogen 3.036 N/A SER 92.A OG ALA 93.A O no hydrogen 3.355 N/A SER 92.A OG ASN 115.A OD1 no hydrogen 2.732 N/A ALA 93.A N THR 114.A OG1 no hydrogen 3.160 N/A TYR 95.A OH GLU 110.A OE1 no hydrogen 2.661 N/A THR 97.A N ALA 147.A O no hydrogen 2.731 N/A LYS 102.A NZ GLU 110.A OE1 no hydrogen 2.729 N/A THR 103.A OG1 THR 106.A OG1 no hydrogen 2.997 N/A THR 106.A N THR 103.A OG1 no hydrogen 3.224 N/A THR 106.A OG1 THR 103.A OG1 no hydrogen 2.997 N/A GLN 107.A N THR 103.A O no hydrogen 3.024 N/A VAL 108.A N VAL 104.A O no hydrogen 2.864 N/A ALA 109.A N GLU 105.A O no hydrogen 2.947 N/A GLU 110.A N THR 106.A O no hydrogen 2.932 N/A LEU 111.A N GLN 107.A O no hydrogen 2.773 N/A ILE 112.A N VAL 108.A O no hydrogen 2.781 N/A THR 114.A N GLU 110.A O no hydrogen 3.066 N/A THR 114.A OG1 GLU 110.A O no hydrogen 2.774 N/A ASN 115.A ND2 ALA 93.A O no hydrogen 3.048 N/A ASN 115.A ND2 LEU 111.A O no hydrogen 2.980 N/A ALA 116.A N ILE 112.A O no hydrogen 2.943 N/A ILE 117.A N ILE 112.A O no hydrogen 2.913 N/A ALA 118.A N GLY 113.A O no hydrogen 2.621 N/A PHE 120.A N ALA 116.A O no hydrogen 3.084 N/A LEU 121.A N ILE 117.A O no hydrogen 2.826 N/A LEU 122.A N ALA 118.A O no hydrogen 2.780 N/A THR 123.A N PRO 119.A O no hydrogen 2.997 N/A THR 123.A OG1 PRO 119.A O no hydrogen 2.536 N/A MET 124.A N PHE 120.A O no hydrogen 2.983 N/A SER 125.A N LEU 121.A O no hydrogen 2.891 N/A SER 125.A OG LEU 121.A O no hydrogen 3.298 N/A PHE 126.A N LEU 122.A O no hydrogen 2.761 N/A ALA 127.A N THR 123.A O no hydrogen 2.940 N/A GLN 128.A N MET 124.A O no hydrogen 2.874 N/A ARG 129.A N SER 125.A O no hydrogen 3.101 N/A ARG 129.A NH1 ASN 75.A OD1 no hydrogen 2.133 N/A GLN 130.A N ALA 127.A O no hydrogen 3.088 N/A GLN 130.A NE2 CYS 84.A O no hydrogen 2.770 N/A GLN 130.A NE2 PHE 126.A O no hydrogen 3.295 N/A ASN 131.A ND2 VAL 221.A O no hydrogen 2.922 N/A SER 133.A N ASP 85.A O no hydrogen 3.062 N/A ILE 134.A N ARG 175.A O no hydrogen 2.802 N/A VAL 135.A N LEU 87.A O no hydrogen 2.894 N/A ASN 136.A N ASN 177.A O no hydrogen 2.914 N/A ASN 136.A ND2 THR 162.A OG1 no hydrogen 2.770 N/A LEU 137.A N ASN 89.A O no hydrogen 3.001 N/A CYS 138.A N VAL 179.A O no hydrogen 2.759 N/A CYS 138.A SG ASN 136.A O no hydrogen 3.563 N/A ALA 140.A N PRO 181.A O no hydrogen 2.876 N/A MET 141.A N ASP 139.A OD1 no hydrogen 2.794 N/A VAL 142.A N ASP 139.A O no hydrogen 3.321 N/A GLN 144.A N MET 141.A O no hydrogen 2.857 N/A LEU 150.A N THR 97.A OG1 no hydrogen 3.272 N/A TYR 151.A OH ASP 139.A OD2 no hydrogen 2.668 N/A ASN 152.A N PHE 148.A O no hydrogen 2.870 N/A ASN 152.A ND2 VAL 142.A O no hydrogen 3.109 N/A MET 153.A N SER 149.A O no hydrogen 2.766 N/A GLY 154.A N LEU 150.A O no hydrogen 2.895 N/A LYS 155.A N TYR 151.A O no hydrogen 2.922 N/A LYS 155.A NZ LEU 137.A O no hydrogen 2.653 N/A HIS 156.A N ASN 152.A O no hydrogen 2.898 N/A HIS 156.A NE2 VAL 142.A O no hydrogen 2.975 N/A ALA 157.A N MET 153.A O no hydrogen 2.954 N/A LEU 158.A N GLY 154.A O no hydrogen 2.941 N/A VAL 159.A N LYS 155.A O no hydrogen 3.164 N/A GLY 160.A N HIS 156.A O no hydrogen 3.065 N/A LEU 161.A N ALA 157.A O no hydrogen 2.829 N/A THR 162.A N LEU 158.A O no hydrogen 2.860 N/A THR 162.A OG1 LEU 158.A O no hydrogen 2.743 N/A GLN 163.A N VAL 159.A O no hydrogen 3.028 N/A SER 164.A N GLY 160.A O no hydrogen 2.730 N/A SER 164.A OG GLY 160.A O no hydrogen 3.399 N/A ALA 165.A N LEU 161.A O no hydrogen 2.606 N/A ALA 166.A N THR 162.A O no hydrogen 2.925 N/A LEU 167.A N GLN 163.A O no hydrogen 3.105 N/A GLU 168.A N SER 164.A O no hydrogen 2.995 N/A LEU 169.A N ALA 165.A O no hydrogen 2.824 N/A ALA 170.A N ALA 166.A O no hydrogen 3.122 N/A TYR 172.A N LEU 169.A O no hydrogen 2.989 N/A GLY 173.A N ALA 170.A O no hydrogen 2.785 N/A ILE 174.A N LEU 169.A O no hydrogen 3.096 N/A ARG 175.A N LEU 132.A O no hydrogen 3.037 N/A ARG 175.A NH1 LEU 220.A O no hydrogen 2.819 N/A ARG 175.A NH1 ILE 228.A O no hydrogen 3.142 N/A ARG 175.A NH2 ASN 131.A OD1 no hydrogen 3.085 N/A ARG 175.A NH2 LEU 220.A O no hydrogen 2.773 N/A VAL 176.A N THR 229.A OG1 no hydrogen 2.923 N/A ASN 177.A N ILE 134.A O no hydrogen 2.890 N/A ASN 177.A ND2 ILE 228.A O no hydrogen 3.006 N/A GLY 178.A N SER 231.A O no hydrogen 2.810 N/A VAL 179.A N ASN 136.A O no hydrogen 2.901 N/A ALA 180.A N ILE 233.A O no hydrogen 2.874 N/A SER 184.A OG ALA 208.A O no hydrogen 2.947 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 3.071 N/A LYS 194.A N GLY 190.A O no hydrogen 2.861 N/A LYS 194.A NZ MET 189.A O no hydrogen 2.831 N/A LYS 194.A NZ GLU 191.A OE1 no hydrogen 3.104 N/A ASP 195.A N GLU 191.A O no hydrogen 2.785 N/A LYS 196.A N GLU 192.A O no hydrogen 3.129 N/A TRP 197.A N GLU 193.A O no hydrogen 3.384 N/A ARG 198.A N LYS 194.A O no hydrogen 2.979 N/A ARG 198.A NE GLU 207.A OE1 no hydrogen 3.142 N/A ARG 198.A NE GLU 207.A OE2 no hydrogen 2.691 N/A ARG 198.A NH1 GLU 191.A OE2 no hydrogen 2.708 N/A ARG 198.A NH1 ASP 195.A OD1 no hydrogen 3.113 N/A ARG 198.A NH2 GLU 207.A OE1 no hydrogen 2.806 N/A ARG 199.A N ASP 195.A O no hydrogen 2.825 N/A LYS 200.A N TRP 197.A O no hydrogen 2.924 N/A VAL 201.A N ARG 198.A O no hydrogen 3.203 N/A LEU 203.A N GLY 237.A O no hydrogen 2.957 N/A ARG 205.A N VAL 201.A O no hydrogen 3.078 N/A ARG 206.A NH1 GLN 212.A OE1 no hydrogen 2.696 N/A GLU 207.A N GLU 207.A OE2 no hydrogen 2.646 N/A ALA 208.A N VAL 183.A O no hydrogen 2.835 N/A SER 209.A N GLN 212.A OE1 no hydrogen 2.885 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.755 N/A GLN 212.A N SER 209.A OG no hydrogen 2.882 N/A ILE 213.A N SER 209.A O no hydrogen 3.346 N/A ALA 214.A N ALA 210.A O no hydrogen 2.908 N/A ASP 215.A N GLU 211.A O no hydrogen 2.699 N/A ALA 216.A N ILE 213.A O no hydrogen 3.083 N/A VAL 217.A N ILE 213.A O no hydrogen 3.339 N/A ILE 218.A N ALA 214.A O no hydrogen 2.883 N/A PHE 219.A N ASP 215.A O no hydrogen 3.004 N/A LEU 220.A N ALA 216.A O no hydrogen 3.113 N/A VAL 221.A N VAL 217.A O no hydrogen 2.971 N/A SER 222.A N PHE 219.A O no hydrogen 2.976 N/A SER 222.A OG PHE 219.A O no hydrogen 2.681 N/A SER 224.A N SER 222.A OG no hydrogen 3.238 N/A ALA 225.A N SER 222.A O no hydrogen 3.162 N/A ILE 228.A N ALA 225.A O no hydrogen 2.891 N/A THR 229.A OG1 VAL 176.A O no hydrogen 3.440 N/A GLY 230.A N VAL 176.A O no hydrogen 2.811 N/A SER 231.A N ASN 177.A OD1 no hydrogen 2.869 N/A ILE 233.A N GLY 178.A O no hydrogen 2.912 N/A LYS 234.A NZ SER 240.A OG no hydrogen 3.307 N/A VAL 235.A N ALA 180.A O no hydrogen 2.946 N/A GLY 238.A N ASP 236.A OD1 no hydrogen 2.949 N/A LEU 239.A N ASP 236.A O no hydrogen 3.043 N/A SER 240.A N ASP 236.A OD2 no hydrogen 2.916 N/A SER 240.A OG ASP 236.A OD2 no hydrogen 2.723 N/A LEU 241.A N GLY 238.A O no hydrogen 3.059 N/A VAL 242.A N LEU 239.A O no hydrogen 3.170 N/A HIS 243.A ND1 ALA 244.A OXT no hydrogen 2.702 N/A