Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xcl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N GLU 7.A OE2 no hydrogen 2.872 N/A GLY 6.A N GLU 134.A OE2 no hydrogen 3.071 N/A GLU 7.A N ALA 4.A O no hydrogen 2.919 N/A CYS 9.A N LEU 132.A O no hydrogen 2.590 N/A CYS 9.A SG GLU 7.A OE1 no hydrogen 3.370 N/A GLY 10.A N ASP 8.A OD1 no hydrogen 2.894 N/A TRP 13.A N CYS 9.A O no hydrogen 2.935 N/A TRP 13.A N GLY 10.A O no hydrogen 3.323 N/A ARG 14.A NE ASP 86.A OD1 no hydrogen 2.909 N/A ARG 14.A NE ASP 86.A OD2 no hydrogen 3.037 N/A ALA 16.A N TRP 13.A O no hydrogen 3.346 N/A ALA 19.A N GLN 28.A O no hydrogen 2.857 N/A TYR 20.A OH GLY 63.A O no hydrogen 2.758 N/A ASP 21.A N HIS 26.A O no hydrogen 3.226 N/A ASP 24.A N ASP 21.A O no hydrogen 2.757 N/A THR 25.A N ASP 21.A OD2 no hydrogen 2.834 N/A HIS 26.A N ASP 21.A OD2 no hydrogen 3.112 N/A HIS 26.A ND1 ASP 21.A OD1 no hydrogen 3.082 N/A LEU 27.A N MET 35.A O no hydrogen 2.881 N/A GLN 28.A N ALA 19.A O no hydrogen 2.843 N/A ILE 29.A N LYS 32.A O no hydrogen 3.259 N/A LYS 32.A N ILE 29.A O no hydrogen 2.876 N/A LYS 32.A NZ GLU 7.A OE1 no hydrogen 2.795 N/A LYS 32.A NZ GLU 7.A OE2 no hydrogen 3.412 N/A LYS 32.A NZ LEU 30.A O no hydrogen 3.530 N/A VAL 34.A N LEU 27.A O no hydrogen 3.168 N/A MET 35.A N LEU 27.A O no hydrogen 3.327 N/A ARG 37.A N THR 25.A O no hydrogen 2.931 N/A ARG 37.A NE ASP 24.A O no hydrogen 2.644 N/A ARG 37.A NH2 ASP 24.A O no hydrogen 3.427 N/A ARG 37.A NH2 ASP 24.A OD2 no hydrogen 3.246 N/A TRP 38.A NE1 GLU 36.A OE2 no hydrogen 2.711 N/A GLU 39.A N GLU 36.A O no hydrogen 3.282 N/A THR 40.A N ARG 37.A O no hydrogen 3.097 N/A THR 40.A OG1 ARG 37.A O no hydrogen 2.541 N/A TYR 42.A N GLU 39.A O no hydrogen 2.662 N/A TYR 42.A OH ILE 222.A O no hydrogen 2.622 N/A MET 43.A N GLU 39.A O no hydrogen 2.860 N/A HIS 44.A N THR 40.A O no hydrogen 2.913 N/A SER 45.A N PRO 41.A O no hydrogen 3.173 N/A SER 45.A OG THR 223.A OG1 no hydrogen 2.622 N/A LEU 46.A N TYR 42.A O no hydrogen 2.944 N/A ALA 47.A N MET 43.A O no hydrogen 2.912 N/A ALA 48.A N HIS 44.A O no hydrogen 2.984 N/A ALA 49.A N SER 45.A O no hydrogen 3.286 N/A ALA 49.A N LEU 46.A O no hydrogen 3.242 N/A ALA 50.A N LEU 46.A O no hydrogen 2.923 N/A ALA 51.A N ALA 47.A O no hydrogen 2.913 N/A SER 52.A N ALA 49.A O no hydrogen 3.145 N/A SER 52.A OG ALA 49.A O no hydrogen 2.660 N/A ARG 53.A NE SER 52.A OG no hydrogen 3.166 N/A ARG 53.A NH2 SER 52.A OG no hydrogen 2.591 N/A GLY 54.A N ALA 51.A O no hydrogen 3.147 N/A ARG 56.A N ASP 123.A OD2 no hydrogen 3.078 N/A ARG 56.A NE HIS 121.A O no hydrogen 2.902 N/A ARG 56.A NH1 GLU 78.A OE1 no hydrogen 2.942 N/A ARG 56.A NH2 HIS 121.A O no hydrogen 3.184 N/A VAL 57.A N GLU 78.A O no hydrogen 2.871 N/A LEU 58.A N GLY 124.A O no hydrogen 2.902 N/A GLU 59.A N TRP 80.A O no hydrogen 2.806 N/A VAL 60.A N LEU 126.A O no hydrogen 2.833 N/A GLY 61.A N ILE 82.A O no hydrogen 2.856 N/A PHE 62.A N GLU 83.A OE2 no hydrogen 3.064 N/A ALA 65.A N PHE 62.A O no hydrogen 3.027 N/A SER 69.A N ALA 65.A O no hydrogen 2.990 N/A SER 69.A OG ALA 65.A O no hydrogen 2.788 N/A ARG 70.A N ILE 66.A O no hydrogen 3.380 N/A ARG 70.A NH1 ARG 70.A O no hydrogen 2.588 N/A VAL 71.A N ALA 67.A O no hydrogen 2.919 N/A GLN 72.A N ALA 68.A O no hydrogen 3.159 N/A GLN 72.A NE2 GLN 72.A O no hydrogen 3.649 N/A GLN 72.A NE2 HIS 101.A O no hydrogen 3.630 N/A GLN 73.A N ARG 70.A O no hydrogen 3.136 N/A ALA 74.A N VAL 71.A O no hydrogen 3.105 N/A LYS 77.A N GLY 55.A O no hydrogen 2.764 N/A GLU 78.A N GLY 55.A O no hydrogen 3.058 N/A HIS 79.A N LYS 102.A O no hydrogen 2.613 N/A HIS 79.A NE2 GLU 59.A OE1 no hydrogen 2.727 N/A TRP 80.A N VAL 57.A O no hydrogen 2.785 N/A TRP 80.A NE1 GLU 78.A OE1 no hydrogen 2.872 N/A ILE 81.A N VAL 104.A O no hydrogen 2.936 N/A ILE 82.A N GLU 59.A O no hydrogen 2.934 N/A GLU 83.A N LEU 106.A O no hydrogen 3.039 N/A ASN 85.A N GLU 83.A OE1 no hydrogen 2.757 N/A ASN 85.A ND2 TRP 13.A O no hydrogen 2.585 N/A ASN 85.A ND2 ALA 16.A O no hydrogen 2.893 N/A ASP 86.A N ARG 14.A O no hydrogen 2.838 N/A VAL 88.A N ASN 85.A OD1 no hydrogen 3.168 N/A PHE 89.A N ASN 85.A O no hydrogen 2.953 N/A GLN 90.A N ASP 86.A O no hydrogen 3.192 N/A GLN 90.A NE2 GLN 90.A O no hydrogen 3.519 N/A GLN 90.A NE2 ASN 94.A OD1 no hydrogen 3.064 N/A ARG 91.A N GLY 87.A O no hydrogen 3.350 N/A LEU 92.A N VAL 88.A O no hydrogen 2.806 N/A GLN 93.A N PHE 89.A O no hydrogen 2.744 N/A ASN 94.A N GLN 90.A O no hydrogen 2.932 N/A TRP 95.A N ARG 91.A O no hydrogen 2.870 N/A TRP 95.A NE1 SER 69.A OG no hydrogen 3.233 N/A ALA 96.A N LEU 92.A O no hydrogen 2.862 N/A LYS 98.A N TRP 95.A O no hydrogen 3.136 N/A LYS 98.A NZ GLN 99.A OE1 no hydrogen 3.235 N/A GLN 99.A N ALA 96.A O no hydrogen 3.199 N/A LYS 102.A NZ GLU 78.A OE2 no hydrogen 3.367 N/A VAL 104.A N HIS 79.A O no hydrogen 2.884 N/A LEU 106.A N ILE 81.A O no hydrogen 2.733 N/A LYS 107.A NZ ASP 86.A OD1 no hydrogen 2.418 N/A GLY 108.A N GLU 83.A O no hydrogen 2.920 N/A GLU 111.A N GLU 111.A OE2 no hydrogen 2.671 N/A GLU 112.A N LEU 109.A O no hydrogen 2.842 N/A VAL 113.A N LEU 109.A O no hydrogen 2.755 N/A ALA 114.A N TRP 110.A O no hydrogen 2.844 N/A THR 116.A N VAL 113.A O no hydrogen 2.972 N/A THR 116.A OG1 VAL 113.A O no hydrogen 2.590 N/A LEU 117.A N ALA 114.A O no hydrogen 3.006 N/A GLY 120.A N ARG 151.A O no hydrogen 2.689 N/A PHE 122.A N LEU 152.A O no hydrogen 2.970 N/A ASP 123.A N ARG 56.A O no hydrogen 2.926 N/A GLY 124.A N ARG 56.A O no hydrogen 3.339 N/A ILE 125.A N ILE 158.A O no hydrogen 2.905 N/A LEU 126.A N LEU 58.A O no hydrogen 2.845 N/A TYR 127.A N THR 160.A O no hydrogen 3.055 N/A TYR 127.A OH HIS 140.A ND1 no hydrogen 2.727 N/A ASP 128.A N VAL 60.A O no hydrogen 2.960 N/A GLU 134.A N GLU 7.A O no hydrogen 2.789 N/A THR 136.A N SER 133.A O no hydrogen 3.368 N/A THR 136.A N SER 133.A OG no hydrogen 3.297 N/A TRP 137.A N GLU 134.A O no hydrogen 3.295 N/A TRP 137.A NE1 THR 165.A O no hydrogen 2.697 N/A HIS 138.A ND1 SER 166.A OG no hydrogen 2.715 N/A THR 139.A N THR 136.A O no hydrogen 3.244 N/A HIS 140.A N THR 136.A O no hydrogen 3.197 N/A HIS 140.A ND1 TYR 127.A OH no hydrogen 2.727 N/A PHE 142.A N THR 139.A O no hydrogen 2.919 N/A ASN 143.A N THR 139.A O no hydrogen 3.278 N/A PHE 144.A N HIS 140.A O no hydrogen 3.287 N/A ILE 145.A N GLN 141.A O no hydrogen 2.847 N/A LYS 146.A N PHE 142.A O no hydrogen 2.835 N/A THR 147.A N ASN 143.A O no hydrogen 3.186 N/A THR 147.A OG1 ASN 143.A O no hydrogen 2.809 N/A HIS 148.A N PHE 144.A O no hydrogen 2.747 N/A ALA 149.A N PHE 144.A O no hydrogen 3.179 N/A ARG 151.A NH2 ALA 114.A O no hydrogen 2.892 N/A ARG 151.A NH2 LEU 117.A O no hydrogen 2.855 N/A LEU 152.A N HIS 148.A O no hydrogen 2.668 N/A LEU 153.A N ALA 149.A O no hydrogen 3.076 N/A LYS 154.A N PHE 122.A O no hydrogen 2.869 N/A GLY 157.A N LYS 154.A O no hydrogen 2.682 N/A ILE 158.A N ASP 123.A O no hydrogen 2.965 N/A LEU 159.A N VAL 226.A O no hydrogen 2.556 N/A THR 160.A N ILE 125.A O no hydrogen 2.981 N/A THR 160.A OG1 PRO 224.A O no hydrogen 2.691 N/A TYR 161.A OH GLN 186.A OE1 no hydrogen 3.122 N/A CYS 162.A N TYR 127.A O no hydrogen 3.200 N/A ASN 163.A ND2 TRP 137.A O no hydrogen 2.996 N/A SER 166.A N ASN 163.A O no hydrogen 3.300 N/A SER 166.A N ASN 163.A OD1 no hydrogen 3.281 N/A SER 166.A OG HIS 138.A ND1 no hydrogen 2.715 N/A TRP 167.A N ASN 163.A O no hydrogen 2.970 N/A GLY 168.A N LEU 164.A O no hydrogen 2.885 N/A LEU 170.A N SER 166.A O no hydrogen 2.938 N/A MET 171.A N TRP 167.A O no hydrogen 2.723 N/A LYS 172.A N GLU 169.A O no hydrogen 3.336 N/A SER 173.A N GLU 169.A O no hydrogen 3.069 N/A SER 173.A OG GLU 169.A O no hydrogen 2.702 N/A LYS 174.A N LEU 170.A O no hydrogen 3.066 N/A LYS 174.A NZ SER 173.A OG no hydrogen 3.125 N/A TYR 175.A N LEU 170.A O no hydrogen 3.030 N/A TYR 175.A OH GLU 184.A OE1 no hydrogen 3.224 N/A THR 179.A N ASP 177.A OD1 no hydrogen 3.147 N/A THR 179.A OG1 ASP 177.A OD1 no hydrogen 2.722 N/A ALA 180.A N ASP 177.A O no hydrogen 3.110 N/A ALA 180.A N ASP 177.A OD1 no hydrogen 3.315 N/A MET 181.A N ASP 177.A O no hydrogen 3.051 N/A PHE 182.A N ILE 178.A O no hydrogen 3.144 N/A GLU 183.A N THR 179.A O no hydrogen 3.084 N/A GLU 184.A N ALA 180.A O no hydrogen 3.105 N/A THR 185.A N MET 181.A O no hydrogen 2.828 N/A THR 185.A OG1 MET 181.A O no hydrogen 2.738 N/A GLN 186.A N PHE 182.A O no hydrogen 2.731 N/A GLN 186.A NE2 THR 185.A OG1 no hydrogen 3.092 N/A VAL 187.A N PHE 182.A O no hydrogen 3.002 N/A LEU 190.A N GLN 186.A O no hydrogen 3.290 N/A LEU 191.A N VAL 187.A O no hydrogen 2.867 N/A GLU 192.A N PRO 188.A O no hydrogen 3.054 N/A ALA 193.A N ALA 189.A O no hydrogen 2.909 N/A GLY 194.A N LEU 191.A O no hydrogen 2.894 N/A PHE 195.A N LEU 190.A O no hydrogen 3.269 N/A ARG 197.A NH2 ILE 200.A O no hydrogen 3.000 N/A ASN 199.A N GLN 196.A O no hydrogen 2.936 N/A ILE 200.A N ARG 197.A O no hydrogen 3.257 N/A CYS 201.A N LEU 225.A O no hydrogen 2.846 N/A GLU 203.A N THR 223.A O no hydrogen 2.905 N/A MET 205.A N MET 221.A O no hydrogen 2.935 N/A LEU 207.A N PRO 219.A O no hydrogen 2.949 N/A CYS 213.A N PRO 210.A O no hydrogen 3.022 N/A CYS 213.A SG GLU 36.A OE2 no hydrogen 3.509 N/A CYS 213.A SG TYR 216.A O no hydrogen 3.570 N/A ARG 214.A NH1 GLY 31.A O no hydrogen 3.512 N/A TYR 215.A OH GLU 39.A OE1 no hydrogen 2.547 N/A TYR 216.A OH GLN 220.A O no hydrogen 2.855 N/A MET 221.A N MET 205.A O no hydrogen 2.781 N/A THR 223.A N GLU 203.A O no hydrogen 2.812 N/A THR 223.A OG1 SER 45.A OG no hydrogen 2.622 N/A LEU 225.A N CYS 201.A O no hydrogen 2.712 N/A VAL 226.A N LEU 159.A O no hydrogen 2.803 N/A THR 227.A N ASN 199.A O no hydrogen 3.137 N/A THR 227.A OG1 HIS 229.A O no hydrogen 2.336 N/A LYS 228.A NZ PHE 150.A O no hydrogen 2.722 N/A LYS 228.A NZ LEU 153.A O no hydrogen 2.819 N/A