Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cb8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N VAL 49.A O no hydrogen 2.573 N/A ARG 4.A N GLN 82.A OE1 no hydrogen 2.878 N/A ARG 4.A NE THR 43.A O no hydrogen 3.409 N/A ILE 5.A N LYS 47.A O no hydrogen 2.957 N/A HIS 6.A N PHE 24.A O no hydrogen 2.614 N/A HIS 6.A ND1 GLN 26.A OE1 no hydrogen 3.166 N/A SER 7.A N PHE 24.A O no hydrogen 3.144 N/A GLU 9.A N ILE 22.A O no hydrogen 2.680 N/A CYS 11.A N GLU 9.A OE2 no hydrogen 2.727 N/A CYS 11.A SG SER 10.A OG no hydrogen 3.532 N/A GLY 12.A N ARG 20.A O no hydrogen 2.774 N/A ILE 19.A N SER 68.A OG no hydrogen 2.805 N/A ARG 20.A N GLY 12.A O no hydrogen 2.885 N/A ARG 20.A NE VAL 72.A O no hydrogen 3.256 N/A ARG 20.A NE THR 73.A OG1 no hydrogen 2.821 N/A ARG 20.A NH1 VAL 72.A O no hydrogen 2.751 N/A ARG 20.A NH1 HIS 99.A ND1 no hydrogen 2.774 N/A ARG 20.A NH2 PRO 17.A O no hydrogen 2.947 N/A ARG 20.A NH2 HIS 99.A ND1 no hydrogen 3.319 N/A PHE 21.A N GLY 71.A O no hydrogen 2.794 N/A ILE 22.A N GLU 9.A O no hydrogen 2.843 N/A THR 23.A N THR 73.A O no hydrogen 2.947 N/A PHE 24.A N SER 7.A O no hydrogen 2.548 N/A PHE 25.A N SER 75.A O no hydrogen 2.874 N/A GLN 26.A N ARG 4.A O no hydrogen 3.003 N/A GLY 27.A N THR 40.A O no hydrogen 2.551 N/A CYS 28.A N TRP 41.A O no hydrogen 2.983 N/A CYS 28.A SG MET 30.A O no hydrogen 4.046 N/A ARG 31.A N VAL 141.A O no hydrogen 3.000 N/A ARG 31.A NH2 CYS 28.A O no hydrogen 2.608 N/A ARG 31.A NH2 MET 30.A O no hydrogen 2.828 N/A LEU 33.A N LEU 140.A O no hydrogen 3.076 N/A HIS 36.A ND1 HIS 201.A NE2 no hydrogen 2.637 N/A ASN 37.A ND2 GLY 76.A O no hydrogen 3.330 N/A ARG 38.A NE GLU 213.A OE1 no hydrogen 2.742 N/A ARG 38.A NH1 GLU 213.A OE1 no hydrogen 3.406 N/A ARG 38.A NH1 GLU 213.A OE2 no hydrogen 2.617 N/A ARG 38.A NH2 ARG 38.A O no hydrogen 2.619 N/A THR 40.A N ASN 37.A O no hydrogen 2.763 N/A TRP 41.A N ARG 38.A O no hydrogen 3.225 N/A HIS 44.A N ASP 42.A OD2 no hydrogen 3.455 N/A THR 50.A N ASP 53.A OD1 no hydrogen 3.487 N/A ASP 53.A N THR 50.A OG1 no hydrogen 3.204 N/A LEU 54.A N THR 50.A O no hydrogen 3.104 N/A MET 55.A N VAL 51.A O no hydrogen 2.873 N/A LYS 56.A N GLU 52.A O no hydrogen 3.076 N/A GLU 57.A N LEU 54.A O no hydrogen 2.797 N/A VAL 58.A N LEU 54.A O no hydrogen 2.876 N/A VAL 59.A N MET 55.A O no hydrogen 3.111 N/A THR 60.A OG1 GLU 57.A O no hydrogen 3.401 N/A TYR 61.A N VAL 58.A O no hydrogen 3.078 N/A ARG 62.A N VAL 59.A O no hydrogen 2.914 N/A ARG 62.A NH1 GLU 96.A OE2 no hydrogen 3.515 N/A ARG 62.A NH2 GLU 96.A OE2 no hydrogen 3.515 N/A MET 65.A N TYR 61.A O no hydrogen 3.285 N/A ASN 66.A N ARG 62.A O no hydrogen 2.879 N/A ALA 67.A N HIS 63.A O no hydrogen 3.017 N/A SER 68.A N PHE 64.A O no hydrogen 2.983 N/A SER 68.A N MET 65.A O no hydrogen 3.040 N/A SER 68.A OG ILE 19.A O no hydrogen 3.246 N/A SER 68.A OG PHE 64.A O no hydrogen 2.510 N/A SER 68.A OG MET 65.A O no hydrogen 3.097 N/A GLY 69.A N MET 65.A O no hydrogen 2.729 N/A GLY 69.A N ASN 66.A O no hydrogen 3.092 N/A GLY 70.A N MET 65.A O no hydrogen 2.831 N/A VAL 72.A N HIS 99.A O no hydrogen 2.955 N/A THR 73.A N PHE 21.A O no hydrogen 2.825 N/A THR 73.A OG1 ASP 15.A O no hydrogen 3.036 N/A ALA 74.A N CYS 101.A O no hydrogen 2.834 N/A SER 75.A N THR 23.A O no hydrogen 2.918 N/A SER 75.A OG ASP 103.A OD2 no hydrogen 3.342 N/A GLY 77.A N PHE 25.A O no hydrogen 2.894 N/A GLU 78.A N GLY 27.A O no hydrogen 2.763 N/A ILE 80.A N GLU 78.A OE1 no hydrogen 3.188 N/A LEU 81.A N GLU 78.A O no hydrogen 2.991 N/A GLN 82.A N ALA 79.A O no hydrogen 2.676 N/A GLN 82.A NE2 ARG 4.A O no hydrogen 2.674 N/A GLN 82.A NE2 GLN 26.A O no hydrogen 3.508 N/A VAL 86.A N GLN 82.A O no hydrogen 2.860 N/A ARG 87.A N ALA 83.A O no hydrogen 3.043 N/A ARG 87.A NE GLU 117.A OE2 no hydrogen 2.897 N/A ARG 87.A NH1 GLU 117.A OE2 no hydrogen 3.026 N/A ASP 88.A N GLU 84.A O no hydrogen 3.199 N/A TRP 89.A N PHE 85.A O no hydrogen 2.994 N/A PHE 90.A N VAL 86.A O no hydrogen 2.828 N/A ARG 91.A N ARG 87.A O no hydrogen 2.967 N/A ALA 92.A N ASP 88.A O no hydrogen 3.119 N/A CYS 93.A N TRP 89.A O no hydrogen 3.033 N/A CYS 93.A SG TRP 89.A O no hydrogen 3.150 N/A LYS 94.A N PHE 90.A O no hydrogen 2.578 N/A LYS 94.A NZ ASP 123.A OD1 no hydrogen 3.252 N/A LYS 94.A NZ ASP 123.A OD2 no hydrogen 2.996 N/A LYS 95.A N ARG 91.A O no hydrogen 3.237 N/A GLU 96.A N CYS 93.A O no hydrogen 2.814 N/A GLY 97.A N LYS 94.A O no hydrogen 2.868 N/A ILE 98.A N CYS 93.A O no hydrogen 2.751 N/A THR 100.A N ASP 123.A OD2 no hydrogen 3.005 N/A THR 100.A OG1 VAL 121.A O no hydrogen 2.932 N/A CYS 101.A N VAL 72.A O no hydrogen 2.940 N/A CYS 101.A SG LEU 124.A O no hydrogen 3.739 N/A LEU 102.A N LEU 124.A O no hydrogen 2.872 N/A ASP 103.A N ALA 74.A O no hydrogen 2.763 N/A THR 104.A N MET 126.A O no hydrogen 3.172 N/A THR 104.A OG1 GLU 78.A OE1 no hydrogen 2.338 N/A ASN 105.A N GLU 78.A OE2 no hydrogen 3.249 N/A GLY 106.A N THR 104.A OG1 no hydrogen 2.754 N/A PHE 107.A N ASN 105.A OD1 no hydrogen 2.798 N/A VAL 108.A N GLY 106.A O no hydrogen 2.786 N/A ILE 115.A N ASP 112.A O no hydrogen 2.988 N/A GLU 117.A N PRO 113.A O no hydrogen 2.925 N/A LEU 118.A N VAL 114.A O no hydrogen 2.794 N/A LEU 119.A N ILE 115.A O no hydrogen 2.977 N/A GLU 120.A N ASP 116.A O no hydrogen 2.754 N/A VAL 121.A N LEU 118.A O no hydrogen 2.892 N/A THR 122.A N LEU 119.A O no hydrogen 3.066 N/A THR 122.A OG1 LEU 118.A O no hydrogen 2.718 N/A ASP 123.A N THR 100.A O no hydrogen 3.193 N/A ASP 123.A N THR 100.A OG1 no hydrogen 2.864 N/A LEU 124.A N THR 100.A O no hydrogen 3.116 N/A VAL 125.A N LYS 161.A O no hydrogen 3.071 N/A MET 126.A N LEU 102.A O no hydrogen 2.969 N/A LEU 127.A N TRP 163.A O no hydrogen 2.818 N/A ASP 128.A N THR 104.A O no hydrogen 3.040 N/A LEU 129.A N ARG 165.A O no hydrogen 3.063 N/A LYS 130.A NZ TYR 34.A OH no hydrogen 2.950 N/A LYS 130.A NZ ASP 128.A OD2 no hydrogen 3.240 N/A GLN 131.A NE2 TRP 172.A O no hydrogen 2.637 N/A GLN 131.A NE2 SER 178.A OG no hydrogen 3.016 N/A ASN 133.A N GLN 131.A OE1 no hydrogen 2.770 N/A ILE 136.A N ASN 133.A OD1 no hydrogen 3.010 N/A HIS 137.A N ASN 133.A O no hydrogen 2.847 N/A HIS 137.A ND1 VAL 143.A O no hydrogen 2.652 N/A GLN 138.A N ASP 134.A O no hydrogen 2.864 N/A GLN 138.A NE2 ASP 134.A O no hydrogen 3.679 N/A GLN 138.A NE2 ASP 134.A OD1 no hydrogen 3.232 N/A ASN 139.A N ILE 136.A O no hydrogen 2.776 N/A LEU 140.A N ILE 136.A O no hydrogen 2.785 N/A VAL 141.A N HIS 137.A O no hydrogen 2.738 N/A SER 144.A OG ASP 134.A OD1 no hydrogen 2.770 N/A ASN 145.A N ASP 134.A OD2 no hydrogen 2.852 N/A ASN 145.A ND2 GLN 131.A O no hydrogen 2.510 N/A ASN 145.A ND2 MET 132.A O no hydrogen 2.990 N/A HIS 146.A N SER 144.A OG no hydrogen 3.106 N/A ARG 147.A NE VAL 108.A O no hydrogen 3.335 N/A ARG 147.A NH2 VAL 108.A O no hydrogen 3.304 N/A ARG 147.A NH2 ARG 109.A O no hydrogen 3.332 N/A THR 148.A OG1 ASN 105.A O no hydrogen 3.230 N/A LEU 149.A N ASN 145.A O no hydrogen 3.065 N/A GLU 150.A N HIS 146.A O no hydrogen 2.874 N/A PHE 151.A N ARG 147.A O no hydrogen 3.031 N/A ALA 152.A N THR 148.A O no hydrogen 2.915 N/A LYS 153.A N LEU 149.A O no hydrogen 2.942 N/A LYS 153.A NZ GLU 150.A OE1 no hydrogen 2.989 N/A TYR 154.A N GLU 150.A O no hydrogen 2.820 N/A LEU 155.A N PHE 151.A O no hydrogen 2.861 N/A ALA 156.A N ALA 152.A O no hydrogen 2.922 N/A ASN 157.A N LYS 153.A O no hydrogen 2.675 N/A LYS 158.A N LEU 155.A O no hydrogen 2.725 N/A ASN 159.A N ALA 156.A O no hydrogen 2.824 N/A VAL 162.A N ASN 191.A O no hydrogen 3.053 N/A TRP 163.A N VAL 125.A O no hydrogen 3.046 N/A TRP 163.A NE1 GLU 193.A OE1 no hydrogen 2.923 N/A ILE 164.A N LYS 194.A O no hydrogen 3.055 N/A ARG 165.A N LEU 127.A O no hydrogen 2.829 N/A ARG 165.A NE GLU 196.A OE2 no hydrogen 2.849 N/A ARG 165.A NH1 VAL 14.A O no hydrogen 3.336 N/A TYR 166.A N GLU 196.A O no hydrogen 3.246 N/A TYR 166.A OH SER 173.A O no hydrogen 2.678 N/A VAL 168.A N LEU 198.A O no hydrogen 2.669 N/A VAL 169.A N SER 173.A OG no hydrogen 2.724 N/A GLY 171.A N ASP 174.A OD1 no hydrogen 2.738 N/A GLY 171.A N ASP 174.A OD2 no hydrogen 2.845 N/A TRP 172.A N VAL 169.A O no hydrogen 3.095 N/A SER 173.A N VAL 169.A O no hydrogen 3.029 N/A SER 173.A OG VAL 167.A O no hydrogen 2.934 N/A SER 173.A OG VAL 169.A O no hydrogen 3.414 N/A SER 178.A N ASP 175.A OD1 no hydrogen 2.798 N/A SER 178.A OG ASP 175.A OD1 no hydrogen 2.600 N/A SER 178.A OG ASP 175.A OD2 no hydrogen 2.951 N/A HIS 180.A N ASP 176.A O no hydrogen 3.133 N/A HIS 180.A N ASP 177.A O no hydrogen 2.793 N/A HIS 180.A ND1 TYR 238.A OH no hydrogen 2.628 N/A ARG 181.A N ASP 177.A O no hydrogen 3.070 N/A LEU 182.A N SER 178.A O no hydrogen 3.175 N/A GLY 183.A N ALA 179.A O no hydrogen 3.034 N/A GLU 184.A N HIS 180.A O no hydrogen 2.518 N/A PHE 185.A N ARG 181.A O no hydrogen 2.683 N/A THR 186.A N LEU 182.A O no hydrogen 2.847 N/A THR 186.A OG1 LEU 182.A O no hydrogen 2.888 N/A ARG 187.A N GLU 184.A O no hydrogen 2.965 N/A ASN 191.A ND2 VAL 160.A O no hydrogen 2.697 N/A GLU 196.A N ILE 164.A O no hydrogen 2.937 N/A LEU 198.A N TYR 166.A O no hydrogen 3.065 N/A TYR 200.A N VAL 168.A O no hydrogen 3.118 N/A TYR 200.A OH TYR 215.A OH no hydrogen 2.619 N/A HIS 201.A NE2 HIS 36.A ND1 no hydrogen 2.637 N/A LYS 207.A N GLY 204.A O no hydrogen 3.305 N/A LYS 207.A NZ HIS 36.A O no hydrogen 2.780 N/A LYS 207.A NZ ASN 37.A OD1 no hydrogen 3.231 N/A TRP 208.A N LYS 205.A O no hydrogen 2.558 N/A TRP 208.A NE1 CYS 35.A O no hydrogen 3.166 N/A VAL 209.A N LYS 205.A O no hydrogen 2.893 N/A ALA 210.A N HIS 206.A O no hydrogen 2.542 N/A MET 211.A N TRP 208.A O no hydrogen 2.719 N/A GLY 212.A N VAL 209.A O no hydrogen 2.517 N/A GLU 213.A N TRP 208.A O no hydrogen 2.897 N/A TYR 215.A OH TYR 200.A OH no hydrogen 2.619 N/A ASP 218.A N TYR 215.A O no hydrogen 3.198 N/A VAL 220.A N LEU 217.A O no hydrogen 2.791 N/A MET 228.A N LYS 224.A O no hydrogen 3.034 N/A GLU 229.A N LYS 225.A O no hydrogen 2.786 N/A ARG 230.A N GLU 226.A O no hydrogen 2.793 N/A VAL 231.A N THR 227.A O no hydrogen 2.937 N/A LYS 232.A N MET 228.A O no hydrogen 2.892 N/A LYS 232.A NZ VAL 242.A O no hydrogen 2.886 N/A GLY 233.A N GLU 229.A O no hydrogen 3.144 N/A ILE 234.A N ARG 230.A O no hydrogen 3.074 N/A LEU 235.A N VAL 231.A O no hydrogen 2.995 N/A GLU 236.A N LYS 232.A O no hydrogen 2.775 N/A TYR 238.A N LEU 235.A O no hydrogen 3.260 N/A TYR 238.A OH HIS 180.A ND1 no hydrogen 2.628 N/A GLY 239.A N GLU 236.A O no hydrogen 3.187 N/A