Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wcd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD1 no hydrogen 2.857 N/A ALA 5.A N ARG 28.A O no hydrogen 2.807 N/A VAL 6.A N VAL 88.A O no hydrogen 2.858 N/A VAL 7.A N VAL 30.A O no hydrogen 3.085 N/A THR 8.A N VAL 90.A O no hydrogen 3.092 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.439 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.908 N/A ALA 10.A N HIS 32.A O no hydrogen 2.890 N/A LYS 12.A NZ SER 36.A OG no hydrogen 2.801 N/A ARG 13.A NH1 LEU 191.A O no hydrogen 2.937 N/A ARG 13.A NH2 LEU 190.A O no hydrogen 2.873 N/A ARG 13.A NH2 LEU 191.A O no hydrogen 3.545 N/A ARG 16.A N LYS 12.A O no hydrogen 3.048 N/A ARG 16.A NH2 GLU 46.A OE1 no hydrogen 3.330 N/A ALA 17.A N ARG 13.A O no hydrogen 3.104 N/A ILE 18.A N ILE 14.A O no hydrogen 2.939 N/A ALA 19.A N GLY 15.A O no hydrogen 2.956 N/A VAL 20.A N ARG 16.A O no hydrogen 2.825 N/A LYS 21.A N ALA 17.A O no hydrogen 3.027 N/A LYS 21.A NZ GLU 217.A OE1.A no hydrogen 2.901 N/A LYS 21.A NZ ASP 221.A OD1 no hydrogen 3.191 N/A LEU 22.A N ILE 18.A O no hydrogen 2.891 N/A HIS 23.A N ALA 19.A O no hydrogen 2.841 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.745 N/A GLN 24.A N VAL 20.A O no hydrogen 2.762 N/A THR 25.A N LYS 21.A O no hydrogen 2.994 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.666 N/A GLY 26.A N HIS 23.A O no hydrogen 2.878 N/A TYR 27.A N LEU 22.A O no hydrogen 2.899 N/A ARG 28.A N PRO 3.A O no hydrogen 2.870 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.184 N/A ARG 28.A NH1 PHE 83.A O no hydrogen 3.244 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.642 N/A ARG 28.A NH2 PHE 83.A O no hydrogen 3.270 N/A VAL 29.A N THR 54.A O no hydrogen 2.862 N/A VAL 30.A N ALA 5.A O no hydrogen 2.799 N/A ILE 31.A N VAL 56.A O no hydrogen 2.735 N/A HIS 32.A N VAL 7.A O no hydrogen 3.076 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.897 N/A TYR 33.A N CYS 58.A O no hydrogen 2.991 N/A ALA 37.A N ASN 35.A O no hydrogen 2.991 N/A ALA 40.A N SER 36.A O no hydrogen 3.027 N/A VAL 41.A N ALA 37.A O no hydrogen 3.029 N/A SER 42.A N GLU 38.A O no hydrogen 2.924 N/A LEU 43.A N ALA 39.A O no hydrogen 3.048 N/A ALA 44.A N ALA 40.A O no hydrogen 3.070 N/A ASP 45.A N VAL 41.A O no hydrogen 2.813 N/A GLU 46.A N SER 42.A O no hydrogen 3.149 N/A LEU 47.A N LEU 43.A O no hydrogen 3.060 N/A ASN 48.A N ALA 44.A O no hydrogen 2.833 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.893 N/A LYS 49.A N ASP 45.A O no hydrogen 2.920 N/A GLU 50.A N GLU 46.A O no hydrogen 3.270 N/A ARG 51.A N LEU 47.A O no hydrogen 2.994 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 3.095 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 3.087 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.874 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.745 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.517 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.935 N/A VAL 56.A N VAL 29.A O no hydrogen 3.074 N/A CYS 58.A N ILE 31.A O no hydrogen 3.029 N/A CYS 58.A SG SER 78.A OG no hydrogen 3.248 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 2.788 N/A ALA 60.A N TYR 33.A O no hydrogen 2.970 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.032 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.652 N/A ASN 64.A N ALA 112.A O no hydrogen 2.870 N/A VAL 67.A N SER 65.A OG no hydrogen 3.180 N/A LEU 68.A N SER 65.A O no hydrogen 3.136 N/A SER 71.A N VAL 67.A O no hydrogen 3.044 N/A SER 71.A OG VAL 67.A O no hydrogen 3.476 N/A CYS 72.A N LEU 68.A O no hydrogen 2.973 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.492 N/A CYS 72.A SG ALA 121.A O no hydrogen 3.910 N/A GLU 73.A N PRO 69.A O no hydrogen 2.937 N/A GLU 74.A N ALA 70.A O no hydrogen 2.935 N/A ILE 75.A N SER 71.A O no hydrogen 3.039 N/A ILE 76.A N CYS 72.A O no hydrogen 3.263 N/A ASN 77.A N GLU 73.A O no hydrogen 2.848 N/A SER 78.A N GLU 74.A O no hydrogen 2.786 N/A SER 78.A OG GLU 74.A O no hydrogen 3.086 N/A SER 78.A OG GLU 74.A OE2 no hydrogen 3.364 N/A CYS 79.A N ILE 76.A O no hydrogen 2.951 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.338 N/A PHE 80.A N ILE 76.A O no hydrogen 3.268 N/A ARG 81.A N ASN 77.A O no hydrogen 2.834 N/A ARG 81.A NH1 GLU 74.A OE2 no hydrogen 2.874 N/A ARG 81.A NH2 GLU 74.A OE1 no hydrogen 3.233 N/A ARG 81.A NH2 GLU 74.A OE2 no hydrogen 3.154 N/A ALA 82.A N SER 78.A O no hydrogen 3.048 N/A PHE 83.A N CYS 79.A O no hydrogen 2.852 N/A GLY 84.A N PHE 80.A O no hydrogen 2.937 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.868 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 3.042 N/A CYS 86.A SG VAL 88.A O no hydrogen 3.955 N/A ASP 87.A N ALA 4.A O no hydrogen 2.677 N/A VAL 88.A N ALA 4.A O no hydrogen 3.188 N/A LEU 89.A N SER 137.A O no hydrogen 3.089 N/A VAL 90.A N VAL 6.A O no hydrogen 2.813 N/A ASN 91.A N VAL 139.A O no hydrogen 2.873 N/A ASN 91.A ND2 ASN 140.A OD1 no hydrogen 2.803 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.869 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.123 N/A ALA 93.A N THR 8.A OG1 no hydrogen 2.898 N/A SER 94.A OG ALA 95.A O no hydrogen 3.249 N/A SER 94.A OG ASN 118.A OD1 no hydrogen 2.693 N/A ALA 95.A N THR 117.A OG1 no hydrogen 3.096 N/A TYR 97.A OH GLU 113.A OE1 no hydrogen 2.692 N/A THR 99.A N ALA 152.A O no hydrogen 2.738 N/A LYS 105.A NZ GLU 113.A OE1 no hydrogen 2.867 N/A THR 106.A OG1 THR 109.A OG1 no hydrogen 2.992 N/A THR 109.A N THR 106.A OG1 no hydrogen 3.007 N/A THR 109.A OG1 THR 106.A OG1 no hydrogen 2.992 N/A GLN 110.A N THR 106.A O no hydrogen 2.971 N/A VAL 111.A N VAL 107.A O no hydrogen 2.837 N/A ALA 112.A N GLU 108.A O no hydrogen 2.946 N/A GLU 113.A N THR 109.A O no hydrogen 2.953 N/A LEU 114.A N GLN 110.A O no hydrogen 2.860 N/A ILE 115.A N VAL 111.A O no hydrogen 2.926 N/A THR 117.A N GLU 113.A O no hydrogen 2.973 N/A THR 117.A OG1 GLU 113.A O no hydrogen 2.732 N/A ASN 118.A N LEU 114.A O no hydrogen 3.402 N/A ASN 118.A ND2 ALA 95.A O no hydrogen 2.887 N/A ASN 118.A ND2 LEU 114.A O no hydrogen 2.992 N/A ALA 119.A N ILE 115.A O no hydrogen 3.017 N/A ILE 120.A N ILE 115.A O no hydrogen 2.923 N/A ALA 121.A N GLY 116.A O no hydrogen 2.744 N/A PHE 123.A N ALA 119.A O no hydrogen 3.092 N/A LEU 124.A N ILE 120.A O no hydrogen 2.904 N/A LEU 125.A N ALA 121.A O no hydrogen 2.736 N/A THR 126.A N PRO 122.A O no hydrogen 2.882 N/A THR 126.A OG1 PRO 122.A O no hydrogen 2.699 N/A MET 127.A N PHE 123.A O no hydrogen 2.957 N/A SER 128.A N LEU 124.A O no hydrogen 2.953 N/A SER 128.A OG LEU 124.A O no hydrogen 3.411 N/A PHE 129.A N LEU 125.A O no hydrogen 2.804 N/A ALA 130.A N THR 126.A O no hydrogen 2.948 N/A GLN 131.A N MET 127.A O no hydrogen 2.899 N/A ARG 132.A N SER 128.A O no hydrogen 3.051 N/A ARG 132.A NE ASN 77.A OD1 no hydrogen 2.668 N/A ARG 132.A NH2 ASN 77.A OD1 no hydrogen 2.817 N/A GLN 133.A N ALA 130.A O no hydrogen 3.280 N/A GLN 133.A NE2 CYS 86.A O no hydrogen 2.960 N/A GLN 133.A NE2 PHE 129.A O no hydrogen 3.101 N/A SER 137.A N ASP 87.A O no hydrogen 3.097 N/A ILE 138.A N ARG 180.A O no hydrogen 2.834 N/A VAL 139.A N LEU 89.A O no hydrogen 2.934 N/A ASN 140.A N ASN 182.A O no hydrogen 2.910 N/A ASN 140.A ND2 THR 167.A OG1 no hydrogen 2.931 N/A LEU 141.A N ASN 91.A O no hydrogen 2.972 N/A CYS 142.A N VAL 184.A O no hydrogen 2.740 N/A CYS 142.A SG ASN 140.A O no hydrogen 3.667 N/A ALA 144.A N PRO 186.A O no hydrogen 2.817 N/A MET 145.A N ASP 143.A OD1 no hydrogen 2.794 N/A VAL 146.A N ASP 143.A O no hydrogen 3.230 N/A GLN 148.A N MET 145.A O no hydrogen 2.846 N/A PHE 153.A N CYS 150.A O no hydrogen 3.286 N/A SER 154.A OG.A THR 99.A O no hydrogen 3.459 N/A LEU 155.A N THR 99.A OG1 no hydrogen 3.306 N/A TYR 156.A OH ASP 143.A OD2 no hydrogen 2.854 N/A ASN 157.A N PHE 153.A O no hydrogen 2.883 N/A ASN 157.A ND2 VAL 146.A O no hydrogen 2.911 N/A MET 158.A N SER 154.A O no hydrogen 2.756 N/A GLY 159.A N LEU 155.A O no hydrogen 2.984 N/A LYS 160.A N TYR 156.A O no hydrogen 3.025 N/A LYS 160.A NZ ASN 118.A OD1 no hydrogen 3.131 N/A LYS 160.A NZ LEU 141.A O no hydrogen 2.823 N/A HIS 161.A N ASN 157.A O no hydrogen 2.887 N/A HIS 161.A NE2 VAL 146.A O no hydrogen 3.090 N/A ALA 162.A N MET 158.A O no hydrogen 2.895 N/A LEU 163.A N GLY 159.A O no hydrogen 2.969 N/A VAL 164.A N LYS 160.A O no hydrogen 3.145 N/A GLY 165.A N HIS 161.A O no hydrogen 3.058 N/A LEU 166.A N ALA 162.A O no hydrogen 2.806 N/A THR 167.A N LEU 163.A O no hydrogen 2.900 N/A THR 167.A OG1 LEU 163.A O no hydrogen 2.762 N/A GLN 168.A N VAL 164.A O no hydrogen 3.069 N/A SER 169.A N GLY 165.A O no hydrogen 2.891 N/A SER 169.A OG GLY 165.A O no hydrogen 3.221 N/A ALA 170.A N LEU 166.A O no hydrogen 2.734 N/A ALA 171.A N THR 167.A O no hydrogen 2.983 N/A LEU 172.A N GLN 168.A O no hydrogen 3.053 N/A GLU 173.A N SER 169.A O no hydrogen 2.994 N/A LEU 174.A N ALA 170.A O no hydrogen 2.811 N/A ALA 175.A N ALA 171.A O no hydrogen 3.120 N/A TYR 177.A N LEU 174.A O no hydrogen 2.899 N/A GLY 178.A N ALA 175.A O no hydrogen 2.821 N/A ILE 179.A N LEU 174.A O no hydrogen 3.213 N/A ARG 180.A N LEU 136.A O no hydrogen 3.096 N/A ARG 180.A NH1 LEU 226.A O no hydrogen 2.838 N/A ARG 180.A NH1 ILE 234.A O no hydrogen 3.098 N/A ARG 180.A NH2 ASN 135.A OD1 no hydrogen 3.131 N/A ARG 180.A NH2 LEU 226.A O no hydrogen 2.788 N/A VAL 181.A N THR 235.A OG1 no hydrogen 2.949 N/A ASN 182.A N ILE 138.A O no hydrogen 2.946 N/A ASN 182.A ND2 ILE 234.A O no hydrogen 3.032 N/A GLY 183.A N SER 237.A O no hydrogen 2.819 N/A VAL 184.A N ASN 140.A O no hydrogen 3.013 N/A ALA 185.A N ILE 239.A O no hydrogen 2.831 N/A SER 189.A OG ALA 214.A O no hydrogen 2.888 N/A MET 195.A N PRO 192.A O no hydrogen 3.060 N/A LYS 200.A N GLY 196.A O no hydrogen 2.993 N/A ASP 201.A N GLU 197.A O no hydrogen 2.816 N/A LYS 202.A N GLU 198.A O no hydrogen 3.120 N/A TRP 203.A N GLU 199.A O no hydrogen 3.270 N/A ARG 204.A N LYS 200.A O no hydrogen 2.889 N/A ARG 204.A NE GLU 213.A OE1 no hydrogen 3.348 N/A ARG 204.A NE GLU 213.A OE2 no hydrogen 2.848 N/A ARG 204.A NH1 GLU 197.A OE2 no hydrogen 2.763 N/A ARG 204.A NH1 ASP 201.A OD1 no hydrogen 2.922 N/A ARG 204.A NH2 GLU 213.A OE1 no hydrogen 2.829 N/A ARG 205.A N ASP 201.A O no hydrogen 3.017 N/A LYS 206.A N TRP 203.A O no hydrogen 3.043 N/A VAL 207.A N ARG 204.A O no hydrogen 3.168 N/A LEU 209.A N GLY 243.A O no hydrogen 2.952 N/A GLY 210.A N PRO 208.A O no hydrogen 3.027 N/A ARG 211.A N VAL 207.A O no hydrogen 2.991 N/A ARG 211.A NH1 ARG 205.A O no hydrogen 2.726 N/A GLU 213.A N GLU 213.A OE2 no hydrogen 2.691 N/A ALA 214.A N VAL 188.A O no hydrogen 2.940 N/A SER 215.A N GLN 218.A OE1 no hydrogen 2.941 N/A GLN 218.A N SER 215.A OG no hydrogen 3.042 N/A ILE 219.A N SER 215.A O no hydrogen 3.346 N/A ALA 220.A N ALA 216.A O no hydrogen 2.963 N/A ASP 221.A N GLU 217.A O no hydrogen 2.782 N/A ALA 222.A N ILE 219.A O no hydrogen 3.080 N/A VAL 223.A N ILE 219.A O no hydrogen 3.312 N/A ILE 224.A N ALA 220.A O no hydrogen 2.893 N/A PHE 225.A N ASP 221.A O no hydrogen 3.049 N/A LEU 226.A N ALA 222.A O no hydrogen 3.090 N/A VAL 227.A N VAL 223.A O no hydrogen 3.048 N/A SER 228.A N PHE 225.A O no hydrogen 3.028 N/A SER 228.A OG PHE 225.A O no hydrogen 2.679 N/A SER 230.A N SER 228.A OG no hydrogen 3.050 N/A ALA 231.A N SER 228.A O no hydrogen 3.142 N/A GLN 232.A N GLY 229.A O no hydrogen 3.454 N/A ILE 234.A N ALA 231.A O no hydrogen 2.911 N/A GLY 236.A N VAL 181.A O no hydrogen 2.735 N/A SER 237.A N ASN 182.A OD1 no hydrogen 2.984 N/A ILE 239.A N GLY 183.A O no hydrogen 2.898 N/A LYS 240.A NZ SER 246.A OG no hydrogen 3.136 N/A VAL 241.A N ALA 185.A O no hydrogen 2.908 N/A GLY 244.A N ASP 242.A OD1 no hydrogen 3.044 N/A LEU 245.A N ASP 242.A O no hydrogen 2.941 N/A SER 246.A N ASP 242.A OD2 no hydrogen 2.964 N/A SER 246.A OG ASP 242.A OD2 no hydrogen 2.762 N/A LEU 247.A N GLY 244.A O no hydrogen 2.946 N/A VAL 248.A N LEU 245.A O no hydrogen 3.090 N/A HIS 249.A ND1 ALA 250.A OXT no hydrogen 2.740 N/A