Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ito_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N TRP 204.A O no hydrogen 2.883 N/A ALA 7.A N LEU 202.A O no hydrogen 2.976 N/A ARG 8.A N ASP 6.A OD1 no hydrogen 2.882 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 3.090 N/A ARG 8.A NE ASP 6.A OD2 no hydrogen 3.319 N/A ARG 8.A NH2 ASP 6.A OD2 no hydrogen 2.753 N/A GLU 9.A N ASP 6.A O no hydrogen 3.075 N/A GLN 10.A N ASP 6.A O no hydrogen 2.994 N/A TRP 11.A N ALA 7.A O no hydrogen 3.069 N/A CYS 14.A N TRP 11.A O no hydrogen 3.013 N/A THR 16.A OG1 ASP 40.A OD1 no hydrogen 2.774 N/A ILE 17.A N CYS 14.A O no hydrogen 3.289 N/A LYS 18.A N PRO 15.A O no hydrogen 2.849 N/A GLU 19.A N THR 16.A O no hydrogen 3.038 N/A ARG 21.A NH1 VAL 52.A O no hydrogen 3.128 N/A ARG 21.A NH2 VAL 52.A O no hydrogen 3.524 N/A GLN 23.A N SER 218.A O no hydrogen 2.929 N/A GLN 23.A NE2 CYS 26.A O no hydrogen 2.790 N/A GLY 24.A N ASP 22.A OD2 no hydrogen 2.782 N/A CYS 26.A N GLY 24.A O no hydrogen 2.858 N/A GLY 27.A N CYS 69.A O no hydrogen 2.900 N/A SER 28.A OG TYR 101.A OH no hydrogen 3.062 N/A CYS 29.A SG HIS 197.A ND1 no hydrogen 3.582 N/A TRP 30.A NE1 GLY 68.A O no hydrogen 2.910 N/A ALA 31.A N SER 28.A O no hydrogen 2.801 N/A PHE 32.A N SER 28.A O no hydrogen 3.114 N/A GLY 33.A N CYS 29.A O no hydrogen 2.922 N/A VAL 35.A N ALA 31.A O no hydrogen 3.012 N/A GLU 36.A N PHE 32.A O no hydrogen 2.943 N/A ALA 37.A N GLY 33.A O no hydrogen 3.214 N/A ILE 38.A N ALA 34.A O no hydrogen 2.771 N/A SER 39.A N VAL 35.A O no hydrogen 2.909 N/A SER 39.A OG VAL 35.A O no hydrogen 2.686 N/A SER 39.A OG VAL 50.A O no hydrogen 3.522 N/A ASP 40.A N GLU 36.A O no hydrogen 3.109 N/A ARG 41.A N ALA 37.A O no hydrogen 2.960 N/A ARG 41.A NE PRO 167.A O no hydrogen 2.899 N/A ARG 41.A NH1 TYR 149.A OH no hydrogen 3.195 N/A ARG 41.A NH1 GLU 161.A OE2 no hydrogen 3.033 N/A ARG 41.A NH1 GLY 247.A O no hydrogen 2.843 N/A ARG 41.A NH2 GLU 161.A OE2 no hydrogen 2.822 N/A ARG 41.A NH2 GLY 166.A O no hydrogen 2.965 N/A ARG 41.A NH2 PRO 167.A O no hydrogen 3.534 N/A ILE 42.A N ILE 38.A O no hydrogen 2.848 N/A CYS 43.A N SER 39.A O no hydrogen 3.152 N/A CYS 43.A SG ASN 13.A O no hydrogen 3.431 N/A CYS 43.A SG ASN 47.A OD1 no hydrogen 3.994 N/A ILE 44.A N ASP 40.A O no hydrogen 2.880 N/A HIS 45.A N ARG 41.A O no hydrogen 2.963 N/A HIS 45.A ND1 ARG 41.A O no hydrogen 3.161 N/A SER 46.A OG ILE 42.A O no hydrogen 2.344 N/A SER 46.A OG SER 46.A O no hydrogen 2.459 N/A VAL 52.A N SER 39.A OG no hydrogen 3.028 N/A SER 53.A N VAL 87.A O no hydrogen 2.769 N/A SER 53.A OG ARG 99.A O no hydrogen 2.686 N/A ASP 56.A N SER 53.A OG no hydrogen 2.902 N/A MET 57.A N SER 53.A O no hydrogen 3.476 N/A LEU 58.A N ALA 54.A O no hydrogen 2.928 N/A THR 59.A N GLU 55.A O no hydrogen 3.130 N/A THR 59.A OG1 GLU 55.A O no hydrogen 2.654 N/A CYS 60.A N ASP 56.A O no hydrogen 2.959 N/A CYS 60.A SG ASP 56.A OD2 no hydrogen 3.657 N/A CYS 60.A SG THR 59.A OG1 no hydrogen 3.636 N/A CYS 60.A SG TYR 138.A OH no hydrogen 3.878 N/A CYS 61.A N MET 57.A O no hydrogen 3.333 N/A CYS 65.A N GLY 62.A O no hydrogen 3.017 N/A GLY 66.A N GLY 63.A O no hydrogen 3.214 N/A ASP 67.A N GLY 71.A O no hydrogen 2.691 N/A CYS 69.A N THR 123.A OG1 no hydrogen 2.859 N/A ASN 70.A N ASP 67.A O no hydrogen 2.722 N/A GLY 71.A N GLY 68.A O no hydrogen 3.108 N/A PHE 73.A N CYS 65.A O no hydrogen 2.610 N/A GLY 76.A N PHE 73.A O no hydrogen 2.779 N/A ALA 77.A N PHE 73.A O no hydrogen 3.277 N/A TRP 78.A N PRO 74.A O no hydrogen 3.332 N/A TRP 78.A NE1 GLU 169.A OE2 no hydrogen 2.867 N/A ASN 79.A N SER 75.A O no hydrogen 3.185 N/A ASN 79.A ND2 GLU 64.A OE2 no hydrogen 3.512 N/A PHE 80.A N GLY 76.A O no hydrogen 2.885 N/A TRP 81.A N ALA 77.A O no hydrogen 3.186 N/A THR 82.A N TRP 78.A O no hydrogen 3.342 N/A THR 82.A OG1 ASN 79.A O no hydrogen 2.696 N/A LYS 83.A N ASN 79.A O no hydrogen 2.966 N/A LYS 83.A N PHE 80.A O no hydrogen 3.160 N/A LYS 83.A NZ THR 82.A OG1 no hydrogen 3.240 N/A LYS 84.A N PHE 80.A O no hydrogen 2.742 N/A GLY 85.A N PHE 80.A O no hydrogen 3.184 N/A LEU 86.A N HIS 143.A O no hydrogen 2.806 N/A VAL 87.A N ASP 56.A OD1 no hydrogen 3.197 N/A SER 88.A N ASP 141.A OD2 no hydrogen 2.936 N/A SER 88.A OG TYR 134.A OH no hydrogen 3.134 N/A SER 88.A OG ASP 141.A OD2 no hydrogen 2.663 N/A GLY 89.A N GLU 51.A O no hydrogen 2.813 N/A GLY 90.A N VAL 96.A O no hydrogen 2.720 N/A SER 94.A N LEU 91.A O no hydrogen 3.017 N/A SER 94.A OG LEU 91.A O no hydrogen 2.619 N/A HIS 95.A ND1 ASN 93.A O no hydrogen 3.123 N/A VAL 96.A N SER 94.A OG no hydrogen 3.138 N/A CYS 98.A N SER 88.A OG no hydrogen 3.111 N/A ARG 99.A N SER 88.A O no hydrogen 2.789 N/A ARG 99.A NH1 ASP 56.A OD2 no hydrogen 2.985 N/A ARG 99.A NH1 THR 59.A OG1 no hydrogen 3.205 N/A ARG 99.A NH2 THR 59.A OG1 no hydrogen 3.076 N/A ARG 99.A NH2 LYS 125.A O no hydrogen 3.113 N/A TYR 101.A N GLY 90.A O no hydrogen 2.934 N/A TYR 101.A OH GLN 23.A O no hydrogen 2.730 N/A TYR 101.A OH SER 28.A OG no hydrogen 3.062 N/A SER 102.A N GLU 55.A OE1 no hydrogen 2.997 N/A SER 102.A OG GLU 55.A OE1 no hydrogen 3.321 N/A SER 102.A OG GLU 55.A OE2 no hydrogen 2.922 N/A CYS 106.A N ASP 22.A OD1 no hydrogen 3.035 N/A CYS 106.A SG HIS 108.A NE2 no hydrogen 3.719 N/A GLU 107.A N PRO 115.A O no hydrogen 2.839 N/A HIS 108.A NE2 ASP 22.A OD2 no hydrogen 2.702 N/A ARG 114.A N GLU 107.A OE2 no hydrogen 3.136 N/A ARG 114.A NH2 ASP 222.A OD1 no hydrogen 2.999 N/A ARG 114.A NH2 ASP 222.A OD2 no hydrogen 3.048 N/A CYS 117.A N GLU 107.A O no hydrogen 2.952 N/A CYS 117.A SG GLU 107.A O no hydrogen 3.149 N/A THR 118.A N SER 25.A OG no hydrogen 2.839 N/A THR 118.A OG1 THR 118.A O no hydrogen 2.446 N/A SER 127.A OG THR 129.A OG1 no hydrogen 3.126 N/A THR 129.A OG1 SER 127.A OG no hydrogen 3.126 N/A CYS 130.A SG PRO 136.A O no hydrogen 3.663 N/A GLU 131.A N CYS 98.A O no hydrogen 2.803 N/A TYR 134.A N GLU 131.A O no hydrogen 3.129 N/A TYR 134.A OH ASP 141.A OD1 no hydrogen 2.552 N/A SER 137.A N GLU 140.A OE1 no hydrogen 3.397 N/A SER 137.A OG GLU 140.A OE1 no hydrogen 3.245 N/A TYR 138.A OH ASP 56.A OD1 no hydrogen 3.369 N/A TYR 138.A OH ASP 56.A OD2 no hydrogen 2.617 N/A ASP 141.A N SER 137.A O no hydrogen 3.023 N/A ASP 141.A N TYR 138.A O no hydrogen 3.319 N/A LYS 142.A NZ ASP 56.A OD1 no hydrogen 2.814 N/A LYS 142.A NZ GLY 85.A O no hydrogen 3.013 N/A LYS 142.A NZ TYR 138.A OH no hydrogen 3.034 N/A HIS 143.A N LEU 86.A O no hydrogen 2.646 N/A HIS 143.A ND1 LEU 86.A O no hydrogen 3.259 N/A GLY 145.A N TRP 81.A O no hydrogen 3.113 N/A CYS 146.A N MET 248.A O no hydrogen 2.774 N/A SER 148.A OG ASN 79.A OD1 no hydrogen 2.649 N/A TYR 149.A N ALA 246.A O no hydrogen 2.998 N/A TYR 149.A OH GLU 161.A OE2 no hydrogen 2.670 N/A VAL 151.A N ILE 244.A O no hydrogen 2.724 N/A ASN 153.A ND2 ASP 236.A OD2 no hydrogen 3.295 N/A ASN 154.A N ALA 152.A O no hydrogen 2.555 N/A GLU 157.A N ASN 154.A OD1 no hydrogen 2.618 N/A ILE 158.A N ASN 154.A O no hydrogen 2.861 N/A MET 159.A N GLU 155.A O no hydrogen 2.933 N/A ALA 160.A N LYS 156.A O no hydrogen 2.925 N/A GLU 161.A N GLU 157.A O no hydrogen 2.907 N/A ILE 162.A N ILE 158.A O no hydrogen 3.152 N/A TYR 163.A N MET 159.A O no hydrogen 2.877 N/A LYS 164.A N ALA 160.A O no hydrogen 3.021 N/A ASN 165.A N GLU 161.A O no hydrogen 2.840 N/A ASN 165.A ND2 HIS 45.A NE2 no hydrogen 3.337 N/A GLY 166.A N ILE 162.A O no hydrogen 2.880 N/A VAL 168.A N ILE 201.A O no hydrogen 3.065 N/A GLU 169.A N VAL 245.A O no hydrogen 2.984 N/A GLY 170.A N ILE 199.A O no hydrogen 2.793 N/A PHE 172.A N HIS 197.A O no hydrogen 3.096 N/A SER 173.A N CYS 238.A O no hydrogen 2.895 N/A VAL 174.A N GLY 195.A O no hydrogen 2.843 N/A SER 176.A N GLU 192.A O no hydrogen 2.925 N/A PHE 178.A N TYR 175.A O no hydrogen 2.870 N/A LEU 179.A N SER 176.A O no hydrogen 3.363 N/A TYR 181.A N PHE 178.A O no hydrogen 2.915 N/A TYR 181.A OH GLY 184.A O no hydrogen 2.581 N/A TYR 186.A N LYS 230.A O no hydrogen 2.657 N/A TYR 186.A OH ASP 177.A OD2 no hydrogen 2.930 N/A HIS 188.A ND1 ASP 177.A OD2 no hydrogen 2.990 N/A VAL 189.A N ASP 177.A OD1 no hydrogen 3.041 N/A MET 194.A N VAL 174.A O no hydrogen 2.714 N/A HIS 197.A N PHE 172.A O no hydrogen 2.829 N/A HIS 197.A NE2 ASN 217.A OD1 no hydrogen 2.896 N/A ILE 199.A N GLY 170.A O no hydrogen 2.709 N/A ARG 200.A N GLY 216.A O no hydrogen 3.408 N/A ARG 200.A NE ASP 40.A OD2 no hydrogen 2.708 N/A ARG 200.A NH1 ILE 17.A O no hydrogen 3.278 N/A ARG 200.A NH2 ILE 17.A O no hydrogen 2.365 N/A ILE 201.A N VAL 168.A O no hydrogen 2.903 N/A LEU 202.A N LEU 214.A O no hydrogen 2.991 N/A TRP 204.A N PHE 5.A O no hydrogen 2.945 N/A TRP 204.A NE1 PRO 2.A O no hydrogen 2.978 N/A GLY 205.A N TYR 212.A O no hydrogen 3.099 N/A GLU 207.A N THR 210.A O no hydrogen 2.767 N/A THR 210.A N GLU 207.A O no hydrogen 3.155 N/A THR 210.A OG1 ASN 208.A O no hydrogen 3.529 N/A TYR 212.A N GLY 205.A O no hydrogen 2.843 N/A TRP 213.A N ILE 231.A O no hydrogen 2.819 N/A TRP 213.A NE1 GLU 241.A OE2 no hydrogen 2.812 N/A LEU 214.A N GLY 203.A O no hydrogen 2.631 N/A VAL 215.A N PHE 229.A O no hydrogen 2.962 N/A GLY 216.A N ARG 200.A O no hydrogen 2.786 N/A ASN 217.A N GLY 227.A O no hydrogen 3.017 N/A SER 218.A N ASN 217.A OD1 no hydrogen 2.669 N/A SER 218.A OG GLN 23.A OE1 no hydrogen 2.513 N/A ASN 220.A N ARG 21.A O no hydrogen 3.013 N/A ASN 220.A ND2 ASP 22.A OD1 no hydrogen 2.693 N/A THR 221.A N ASN 220.A OD1 no hydrogen 2.910 N/A THR 221.A OG1 ASN 220.A OD1 no hydrogen 3.543 N/A TRP 223.A NE1 LEU 179.A O no hydrogen 2.997 N/A ASP 225.A N PHE 228.A O no hydrogen 2.933 N/A GLY 227.A N TRP 223.A O no hydrogen 2.834 N/A PHE 228.A N ASP 225.A O no hydrogen 3.037 N/A PHE 229.A N VAL 215.A O no hydrogen 3.006 N/A LYS 230.A N TYR 181.A OH no hydrogen 3.240 N/A LYS 230.A NZ GLU 207.A OE1 no hydrogen 2.968 N/A ILE 231.A N TRP 213.A O no hydrogen 3.258 N/A LEU 232.A N TYR 186.A O no hydrogen 3.196 N/A ARG 233.A N PRO 211.A O no hydrogen 2.990 N/A ARG 233.A NE TYR 212.A O no hydrogen 2.795 N/A ARG 233.A NH1 GLU 155.A OE1 no hydrogen 2.593 N/A ARG 233.A NH2 GLY 205.A O no hydrogen 2.761 N/A GLY 234.A N GLU 241.A OE2 no hydrogen 2.994 N/A ASP 236.A N GLU 241.A OE1 no hydrogen 3.003 N/A GLY 239.A N ASP 236.A O no hydrogen 2.801 N/A ILE 240.A N HIS 237.A O no hydrogen 3.269 N/A GLU 241.A N ASP 236.A OD1 no hydrogen 3.014 N/A SER 242.A N GLY 239.A O no hydrogen 3.052 N/A SER 242.A OG GLY 239.A O no hydrogen 2.928 N/A VAL 245.A N GLU 169.A O no hydrogen 3.014 N/A ALA 246.A N TYR 149.A O no hydrogen 3.086 N/A MET 248.A N SER 147.A O no hydrogen 3.298 N/A MET 248.A N SER 147.A OG no hydrogen 3.140 N/A CYS 250.A N PHE 144.A O no hydrogen 3.287 N/A CYS 250.A SG PHE 144.A O no hydrogen 3.730 N/A