Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u40_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PHE 84.A O no hydrogen 3.145 N/A HIS 4.A N MET 1.A O no hydrogen 2.917 N/A CYS 5.A N ALA 2.A O no hydrogen 3.332 N/A CYS 5.A SG MET 1.A O no hydrogen 3.802 N/A CYS 5.A SG PHE 84.A O no hydrogen 3.427 N/A THR 7.A N ASN 10.A O no hydrogen 2.907 N/A THR 7.A OG1 GLU 80.A OE1 no hydrogen 2.692 N/A HIS 9.A N THR 7.A OG1 no hydrogen 3.058 N/A HIS 9.A ND1 GLU 80.A OE2 no hydrogen 2.605 N/A ASN 10.A N THR 7.A O no hydrogen 3.414 N/A GLY 11.A N ASN 45.A OD1 no hydrogen 2.727 N/A ALA 12.A N ASN 10.A OD1 no hydrogen 3.146 N/A LYS 13.A N GLU 16.A OE2 no hydrogen 2.934 N/A GLU 16.A N LYS 13.A O no hydrogen 3.093 N/A ALA 18.A N SER 63.A OG no hydrogen 2.955 N/A THR 20.A OG1 LYS 238.A O no hydrogen 2.893 N/A VAL 21.A N ARG 89.A O no hydrogen 2.931 N/A LEU 22.A N SER 63.A O no hydrogen 2.845 N/A MET 23.A N ILE 91.A O no hydrogen 2.868 N/A ALA 24.A N GLN 65.A O no hydrogen 3.132 N/A LEU 28.A N ASP 26.A OD1 no hydrogen 2.971 N/A ARG 29.A NH1 ARG 222.A O no hydrogen 2.355 N/A ARG 29.A NH2 ARG 223.A O no hydrogen 2.798 N/A VAL 30.A N ASP 26.A O no hydrogen 3.039 N/A LYS 31.A N PRO 27.A O no hydrogen 2.990 N/A LEU 32.A N LEU 28.A O no hydrogen 3.055 N/A LEU 33.A N ARG 29.A O no hydrogen 2.878 N/A ALA 34.A N VAL 30.A O no hydrogen 2.982 N/A ASP 35.A N LYS 31.A O no hydrogen 2.965 N/A THR 36.A N LEU 32.A O no hydrogen 2.892 N/A THR 36.A OG1 LEU 32.A O no hydrogen 2.722 N/A TYR 37.A N LEU 33.A O no hydrogen 2.989 N/A LEU 38.A N ALA 34.A O no hydrogen 3.041 N/A THR 39.A N TYR 56.A O no hydrogen 2.809 N/A THR 39.A OG1 TYR 56.A O no hydrogen 3.537 N/A VAL 42.A N THR 54.A O no hydrogen 2.844 N/A GLN 43.A NE2 ASN 45.A O no hydrogen 2.963 N/A TYR 44.A N GLY 52.A O no hydrogen 2.852 N/A TYR 44.A OH GLN 65.A OE1 no hydrogen 2.891 N/A ASN 45.A N GLY 52.A O no hydrogen 3.430 N/A ASN 45.A ND2 HIS 9.A O no hydrogen 3.549 N/A ASN 45.A ND2 ALA 50.A O no hydrogen 2.709 N/A VAL 47.A N ASN 45.A OD1 no hydrogen 3.054 N/A GLY 49.A N SER 46.A O no hydrogen 2.892 N/A ALA 50.A N VAL 47.A O no hydrogen 2.979 N/A GLY 52.A N ASN 45.A O no hydrogen 3.209 N/A TYR 53.A N VAL 64.A O no hydrogen 2.816 N/A THR 54.A N VAL 42.A O no hydrogen 2.849 N/A THR 54.A OG1 GLU 16.A O no hydrogen 2.661 N/A THR 54.A OG1 SER 63.A OG no hydrogen 2.702 N/A GLY 55.A N LEU 62.A O no hydrogen 2.964 N/A TYR 56.A N THR 39.A O no hydrogen 2.799 N/A TYR 57.A N VAL 60.A O no hydrogen 2.888 N/A VAL 60.A N TYR 57.A O no hydrogen 2.824 N/A LEU 62.A N GLY 55.A O no hydrogen 2.790 N/A SER 63.A N THR 20.A O no hydrogen 2.994 N/A SER 63.A OG THR 54.A OG1 no hydrogen 2.702 N/A VAL 64.A N TYR 53.A O no hydrogen 2.819 N/A GLN 65.A N LEU 22.A O no hydrogen 2.966 N/A GLN 65.A NE2 ALA 50.A O no hydrogen 2.738 N/A GLN 65.A NE2 ALA 66.A O no hydrogen 2.960 N/A ALA 66.A N VAL 51.A O no hydrogen 2.968 N/A HIS 67.A N ALA 24.A O no hydrogen 2.831 N/A HIS 67.A ND1 GLY 68.A O no hydrogen 2.640 N/A GLY 68.A N GLY 25.A O no hydrogen 3.190 N/A GLY 70.A N GLU 185.A OE2 no hydrogen 2.816 N/A SER 73.A OG HIS 67.A O no hydrogen 2.674 N/A ILE 74.A N GLY 70.A O no hydrogen 3.110 N/A GLY 75.A N MET 71.A O no hydrogen 2.816 N/A ILE 76.A N PRO 72.A O no hydrogen 3.145 N/A TYR 77.A N SER 73.A O no hydrogen 3.380 N/A ALA 78.A N ILE 74.A O no hydrogen 2.794 N/A TYR 79.A N GLY 75.A O no hydrogen 2.986 N/A GLU 80.A N ILE 76.A O no hydrogen 3.218 N/A LEU 81.A N TYR 77.A O no hydrogen 2.919 N/A PHE 82.A N ALA 78.A O no hydrogen 2.934 N/A ASN 83.A N TYR 79.A O no hydrogen 2.862 N/A ASN 83.A ND2 TYR 79.A O no hydrogen 3.023 N/A PHE 84.A N GLU 80.A O no hydrogen 2.767 N/A TYR 85.A N GLU 80.A O no hydrogen 3.190 N/A TYR 85.A N LEU 81.A O no hydrogen 3.241 N/A TYR 85.A OH ALA 12.A O no hydrogen 2.690 N/A VAL 87.A N LEU 81.A O no hydrogen 3.144 N/A LYS 88.A N GLU 19.A O no hydrogen 2.819 N/A LYS 88.A NZ GLU 19.A OE1 no hydrogen 3.478 N/A LYS 88.A NZ GLU 19.A OE2 no hydrogen 3.239 N/A ARG 89.A N GLU 19.A O no hydrogen 3.116 N/A ARG 89.A NH1.A GLU 141.A OE2 no hydrogen 3.088 N/A ARG 89.A NH1.A LEU 236.A O no hydrogen 2.699 N/A ARG 89.A NH2.A GLU 141.A OE1 no hydrogen 3.421 N/A ARG 89.A NH2.B THR 20.A OG1 no hydrogen 3.125 N/A ILE 90.A N GLN 199.A O no hydrogen 3.002 N/A ILE 91.A N VAL 21.A O no hydrogen 2.941 N/A ARG 92.A N LEU 201.A O no hydrogen 2.784 N/A ARG 92.A NH1 HIS 67.A NE2 no hydrogen 3.121 N/A ARG 92.A NH2 GLU 183.A OE1 no hydrogen 2.976 N/A ILE 93.A N MET 23.A O no hydrogen 2.910 N/A GLY 94.A N MET 203.A O no hydrogen 3.213 N/A ALA 96.A N THR 205.A O no hydrogen 3.087 N/A GLY 97.A N VAL 182.A O no hydrogen 3.189 N/A ALA 98.A N ASP 208.A O no hydrogen 2.822 N/A PHE 99.A N LEU 180.A O no hydrogen 2.736 N/A ASP 100.A N LEU 180.A O no hydrogen 3.143 N/A SER 102.A N ASP 100.A OD1 no hydrogen 2.738 N/A SER 102.A OG ASP 100.A OD1 no hydrogen 2.689 N/A LEU 103.A N ASP 100.A O no hydrogen 3.045 N/A LYS 104.A N ASP 107.A OD1 no hydrogen 2.737 N/A GLY 106.A N ILE 206.A O no hydrogen 2.751 N/A ASP 107.A N LYS 104.A O no hydrogen 2.981 N/A ILE 108.A N ARG 152.A O no hydrogen 3.025 N/A VAL 109.A N LEU 204.A O no hydrogen 2.733 N/A ILE 110.A N LYS 154.A O no hydrogen 2.871 N/A GLY 111.A N CYS 202.A O no hydrogen 3.004 N/A MET 112.A N GLY 156.A O no hydrogen 2.902 N/A GLY 113.A N GLY 156.A O no hydrogen 3.429 N/A ALA 114.A N CYS 132.A O no hydrogen 2.907 N/A CYS 115.A N ILE 158.A O no hydrogen 2.747 N/A TYR 116.A OH TYR 130.A O no hydrogen 2.703 N/A ASP 117.A N SER 160.A O no hydrogen 3.388 N/A SER 118.A OG GLU 121.A OE1 no hydrogen 3.242 N/A SER 118.A OG GLU 121.A OE2 no hydrogen 2.892 N/A ASN 119.A N GLU 121.A OE1 no hydrogen 2.990 N/A ASN 119.A ND2 ASP 117.A O no hydrogen 3.667 N/A PHE 120.A N ASN 119.A OD1 no hydrogen 2.582 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.765 N/A TYR 124.A N GLU 121.A O no hydrogen 3.064 N/A ASP 125.A N ARG 122.A O no hydrogen 3.041 N/A CYS 132.A SG ALA 187.A O no hydrogen 3.517 N/A ALA 134.A N MET 112.A O no hydrogen 2.813 N/A ASP 135.A N ALA 200.A O no hydrogen 3.006 N/A GLN 137.A NE2 GLU 141.A OE1 no hydrogen 3.081 N/A LEU 138.A N ASP 135.A OD1 no hydrogen 2.942 N/A CYS 139.A N ASP 135.A O no hydrogen 3.096 N/A ARG 140.A N PHE 136.A O no hydrogen 2.775 N/A ARG 140.A NH1 GLN 137.A OE1 no hydrogen 2.941 N/A GLU 141.A N GLN 137.A O no hydrogen 2.931 N/A ALA 142.A N LEU 138.A O no hydrogen 2.901 N/A VAL 143.A N CYS 139.A O no hydrogen 3.126 N/A ASP 144.A N ARG 140.A O no hydrogen 2.925 N/A ALA 145.A N GLU 141.A O no hydrogen 2.967 N/A ALA 146.A N ALA 142.A O no hydrogen 3.004 N/A GLU 147.A N VAL 143.A O no hydrogen 2.899 N/A LYS 148.A N ASP 144.A O no hydrogen 2.971 N/A LEU 149.A N ALA 145.A O no hydrogen 2.903 N/A GLY 150.A N GLU 147.A O no hydrogen 2.931 N/A TYR 151.A N ALA 146.A O no hydrogen 2.830 N/A TYR 151.A OH GLU 231.A OE1 no hydrogen 2.849 N/A ARG 152.A NE ASP 107.A OD2 no hydrogen 2.744 N/A ARG 152.A NH2 ASP 107.A OD1 no hydrogen 2.884 N/A ARG 152.A NH2 ASP 107.A OD2 no hydrogen 3.280 N/A TYR 153.A OH GLU 147.A OE2 no hydrogen 2.603 N/A LYS 154.A N ILE 108.A O no hydrogen 2.925 N/A LYS 154.A NZ ASP 100.A OD2 no hydrogen 3.482 N/A GLY 156.A N ILE 110.A O no hydrogen 3.089 N/A ILE 158.A N GLY 113.A O no hydrogen 2.974 N/A TYR 159.A N ALA 181.A O no hydrogen 2.936 N/A TYR 159.A OH ASP 117.A OD1 no hydrogen 2.402 N/A SER 160.A N CYS 115.A O no hydrogen 2.866 N/A SER 160.A OG GLU 183.A OE2 no hydrogen 2.674 N/A ALA 161.A N GLU 183.A O no hydrogen 2.739 N/A ASN 162.A N ASP 117.A OD2 no hydrogen 2.926 N/A ASN 162.A ND2 SER 118.A O no hydrogen 2.771 N/A GLY 168.A N ASP 166.A OD1 no hydrogen 3.059 N/A HIS 170.A N ASP 166.A OD2 no hydrogen 2.784 N/A HIS 170.A ND1 ASP 166.A OD1 no hydrogen 2.763 N/A SER 171.A N ASP 169.A OD1 no hydrogen 3.007 N/A SER 171.A OG ASP 169.A OD1 no hydrogen 2.881 N/A LYS 175.A N SER 171.A O no hydrogen 3.096 N/A LYS 175.A NZ SER 171.A OG no hydrogen 2.823 N/A LYS 175.A NZ CYS 210.A O no hydrogen 3.475 N/A LYS 176.A N GLY 172.A O no hydrogen 2.921 N/A MET 177.A N ALA 173.A O no hydrogen 3.021 N/A GLY 178.A N LYS 175.A O no hydrogen 2.981 N/A VAL 179.A N TRP 174.A O no hydrogen 3.082 N/A LEU 180.A N ASN 157.A O no hydrogen 2.719 N/A VAL 182.A N GLY 97.A O no hydrogen 2.894 N/A GLU 183.A N TYR 159.A O no hydrogen 2.893 N/A MET 184.A N GLU 185.A OE1 no hydrogen 3.347 N/A GLU 185.A N GLU 183.A OE1 no hydrogen 2.907 N/A ALA 186.A N GLU 183.A OE1 no hydrogen 2.704 N/A ALA 186.A N GLU 183.A OE2 no hydrogen 3.392 N/A ALA 187.A N SER 160.A OG no hydrogen 2.789 N/A ALA 188.A N GLU 185.A O no hydrogen 3.244 N/A TYR 190.A N ALA 186.A O no hydrogen 2.981 N/A TYR 190.A OH GLY 111.A O no hydrogen 2.524 N/A MET 191.A N ALA 187.A O no hydrogen 2.986 N/A ILE 192.A N ALA 188.A O no hydrogen 3.040 N/A ALA 193.A N LEU 189.A O no hydrogen 2.960 N/A ALA 194.A N TYR 190.A O no hydrogen 2.940 N/A ARG 195.A N MET 191.A O no hydrogen 2.984 N/A ARG 195.A NH1 ARG 195.A O no hydrogen 2.956 N/A ALA 196.A N ILE 192.A O no hydrogen 2.970 N/A ARG 197.A N ALA 194.A O no hydrogen 3.118 N/A ARG 197.A NH1 ALA 194.A O no hydrogen 3.128 N/A LYS 198.A N ALA 193.A O no hydrogen 2.925 N/A GLN 199.A N LYS 88.A O no hydrogen 2.950 N/A GLN 199.A NE2 ASP 135.A OD1 no hydrogen 2.852 N/A LEU 201.A N ILE 90.A O no hydrogen 3.093 N/A CYS 202.A N TYR 190.A OH no hydrogen 2.768 N/A MET 203.A N ARG 92.A O no hydrogen 2.779 N/A LEU 204.A N VAL 109.A O no hydrogen 2.844 N/A THR 205.A N GLY 94.A O no hydrogen 2.791 N/A ILE 206.A N ASP 107.A O no hydrogen 2.861 N/A SER 207.A N ALA 96.A O no hydrogen 3.002 N/A SER 207.A OG ALA 96.A O no hydrogen 3.436 N/A SER 207.A OG ASP 208.A OD2 no hydrogen 3.200 N/A LEU 209.A N GLU 215.A O no hydrogen 2.886 N/A CYS 210.A N ALA 98.A O no hydrogen 2.914 N/A TYR 211.A OH LEU 103.A O no hydrogen 2.643 N/A GLY 214.A N TYR 211.A O no hydrogen 3.112 N/A MET 217.A N SER 207.A O no hydrogen 2.837 N/A GLU 221.A N THR 218.A OG1 no hydrogen 2.993 N/A ARG 222.A N THR 218.A O no hydrogen 2.826 N/A ARG 222.A NE MET 217.A O no hydrogen 3.125 N/A ARG 222.A NH1 ASP 208.A OD2 no hydrogen 3.064 N/A ARG 222.A NH2 ASP 208.A OD1 no hydrogen 2.920 N/A ARG 222.A NH2 MET 217.A O no hydrogen 3.266 N/A ARG 223.A N ALA 219.A O no hydrogen 3.085 N/A THR 224.A N GLU 220.A O no hydrogen 3.001 N/A THR 224.A N GLU 221.A O no hydrogen 3.237 N/A THR 224.A OG1 GLU 220.A O no hydrogen 2.770 N/A LYS 225.A N GLU 221.A O no hydrogen 2.661 N/A MET 230.A N PHE 226.A O no hydrogen 3.125 N/A GLU 231.A N THR 227.A O no hydrogen 2.873 N/A VAL 232.A N GLN 228.A O no hydrogen 3.207 N/A ALA 233.A N MET 229.A O no hydrogen 2.872 N/A LEU 234.A N MET 230.A O no hydrogen 2.875 N/A SER 235.A N GLU 231.A O no hydrogen 3.241 N/A SER 235.A OG VAL 232.A O no hydrogen 2.612 N/A LEU 236.A N ALA 233.A O no hydrogen 2.998 N/A ALA 237.A N LEU 234.A O no hydrogen 3.013 N/A LYS 238.A N THR 20.A OG1 no hydrogen 3.246 N/A