Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cdx_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 THR 178.A O no hydrogen 3.032 N/A ARG 3.A NH2 THR 178.A O no hydrogen 2.975 N/A ALA 5.A N THR 16.A O no hydrogen 3.013 N/A GLN 6.A NE2 THR 8.A OG1 no hydrogen 2.932 N/A LEU 7.A N ILE 14.A O no hydrogen 2.863 N/A THR 8.A OG1 THR 13.A OG1 no hydrogen 2.692 N/A ILE 9.A N SER 12.A O no hydrogen 2.991 N/A SER 12.A N ILE 9.A O no hydrogen 3.270 N/A SER 12.A OG ILE 9.A O no hydrogen 2.782 N/A THR 13.A OG1 THR 8.A OG1 no hydrogen 2.692 N/A ILE 14.A N LEU 7.A O no hydrogen 2.768 N/A THR 16.A N ALA 5.A O no hydrogen 3.085 N/A THR 16.A OG1 ASN 180.A OD1 no hydrogen 3.178 N/A GLU 18.A N THR 16.A OG1 no hydrogen 3.395 N/A ALA 19.A N ARG 3.A O no hydrogen 2.612 N/A ILE 22.A N ASN 21.A OD1 no hydrogen 2.613 N/A ILE 23.A N THR 183.A O no hydrogen 3.154 N/A GLY 25.A N ILE 185.A O no hydrogen 2.842 N/A GLY 27.A N VAL 24.A O no hydrogen 2.861 N/A GLU 28.A N GLY 25.A O no hydrogen 3.181 N/A CYS 33.A N GLU 235.A OE1 no hydrogen 2.802 N/A CYS 33.A SG SER 34.A O no hydrogen 3.593 N/A SER 34.A OG SER 36.A OG no hydrogen 3.140 N/A SER 36.A OG SER 34.A OG no hydrogen 3.140 N/A ASP 37.A N SER 34.A OG no hydrogen 3.124 N/A ALA 38.A N SER 34.A O no hydrogen 3.060 N/A THR 45.A N PHE 236.A O no hydrogen 2.864 N/A ARG 46.A NE GLU 235.A OE2 no hydrogen 2.880 N/A ARG 46.A NH2 GLU 235.A OE2 no hydrogen 3.445 N/A SER 50.A OG PRO 47.A O no hydrogen 3.566 N/A VAL 51.A N ASP 48.A O no hydrogen 3.034 N/A ASN 52.A N ASP 48.A O no hydrogen 2.962 N/A ARG 53.A NE ASN 11.A OD1 no hydrogen 2.854 N/A ARG 53.A NH2 ASN 11.A OD1 no hydrogen 2.997 N/A PHE 54.A N SER 12.A OG no hydrogen 2.896 N/A TYR 55.A N LEU 229.A O no hydrogen 2.818 N/A THR 56.A OG1 THR 228.A OG1 no hydrogen 2.928 N/A LEU 57.A N ILE 227.A O no hydrogen 3.131 N/A THR 59.A OG1 THR 226.A OG1 no hydrogen 3.001 N/A LYS 60.A N ILE 225.A O no hydrogen 2.934 N/A LYS 60.A NZ ASP 58.A OD1 no hydrogen 3.367 N/A LYS 60.A NZ ASP 58.A OD2 no hydrogen 2.769 N/A LYS 60.A NZ ASP 147.A O no hydrogen 2.745 N/A TRP 62.A N ILE 223.A O no hydrogen 2.899 N/A GLU 63.A N SER 66.A OG no hydrogen 2.681 N/A LYS 64.A NZ ASP 214.A OD1 no hydrogen 3.526 N/A LYS 64.A NZ TYR 215.A O no hydrogen 3.564 N/A SER 66.A N GLU 63.A O no hydrogen 2.948 N/A SER 66.A OG GLU 63.A O no hydrogen 3.180 N/A LYS 67.A NZ GLN 152.A O no hydrogen 3.338 N/A TRP 69.A N VAL 207.A O no hydrogen 2.945 N/A TYR 70.A N PHE 149.A O no hydrogen 3.022 N/A TYR 70.A OH GLN 141.A O no hydrogen 2.602 N/A TRP 71.A N LEU 205.A O no hydrogen 2.950 N/A LYS 72.A NZ TYR 121.A O no hydrogen 3.018 N/A LYS 72.A NZ THR 142.A O no hydrogen 2.986 N/A PHE 73.A N PHE 203.A O no hydrogen 2.959 N/A VAL 76.A N LYS 72.A O no hydrogen 2.979 N/A LEU 77.A N PRO 74.A O no hydrogen 2.823 N/A THR 78.A N PRO 74.A O no hydrogen 3.349 N/A THR 78.A N ASP 75.A O no hydrogen 3.245 N/A THR 78.A OG1 ASP 75.A O no hydrogen 2.931 N/A THR 80.A N LEU 77.A O no hydrogen 2.810 N/A GLY 84.A N THR 80.A O no hydrogen 2.844 N/A GLN 85.A N GLY 81.A O no hydrogen 3.341 N/A ASN 86.A N VAL 82.A O no hydrogen 3.122 N/A ASN 86.A ND2 VAL 82.A O no hydrogen 3.085 N/A ALA 87.A N PHE 83.A O no hydrogen 2.876 N/A GLN 88.A N GLY 84.A O no hydrogen 2.914 N/A GLN 88.A N GLN 85.A O no hydrogen 3.002 N/A GLN 88.A NE2 THR 78.A O no hydrogen 2.815 N/A GLN 88.A NE2 GLY 84.A O no hydrogen 3.467 N/A PHE 89.A N GLN 85.A O no hydrogen 2.877 N/A HIS 90.A N ASN 86.A O no hydrogen 3.127 N/A HIS 90.A ND1 ASN 86.A O no hydrogen 2.962 N/A TYR 91.A N GLY 238.A O no hydrogen 2.874 N/A LEU 92.A N ALA 237.A O no hydrogen 2.959 N/A TYR 93.A N ASP 195.A O no hydrogen 2.733 N/A TYR 93.A OH SER 95.A OG no hydrogen 2.738 N/A ARG 94.A N GLU 235.A O no hydrogen 3.150 N/A ARG 94.A NE PRO 193.A O no hydrogen 2.725 N/A SER 95.A OG TYR 93.A OH no hydrogen 2.738 N/A SER 95.A OG GLY 96.A O no hydrogen 3.034 N/A GLY 96.A N MET 232.A O no hydrogen 2.757 N/A PHE 97.A N VAL 186.A O no hydrogen 2.875 N/A CYS 98.A N ALA 230.A O no hydrogen 2.888 N/A ILE 99.A N ILE 184.A O no hydrogen 2.816 N/A HIS 100.A N THR 228.A O no hydrogen 2.812 N/A HIS 100.A ND1 THR 183.A OG1 no hydrogen 2.896 N/A VAL 101.A N ALA 182.A O no hydrogen 2.925 N/A GLN 102.A N THR 226.A O no hydrogen 2.818 N/A CYS 103.A N ASN 180.A O no hydrogen 3.015 N/A CYS 103.A SG PRO 224.A O no hydrogen 3.538 N/A SER 106.A OG HIS 109.A ND1 no hydrogen 2.606 N/A PHE 108.A N SER 106.A OG no hydrogen 2.983 N/A HIS 109.A N SER 106.A O no hydrogen 3.031 N/A HIS 109.A ND1 SER 106.A OG no hydrogen 2.606 N/A HIS 109.A NE2 THR 220.A O no hydrogen 2.811 N/A GLN 110.A N ASP 214.A O no hydrogen 3.183 N/A ALA 112.A N SER 211.A O no hydrogen 2.944 N/A LEU 113.A N ILE 174.A O no hydrogen 2.920 N/A LEU 114.A N VAL 208.A O no hydrogen 2.825 N/A VAL 115.A N GLN 172.A O no hydrogen 2.831 N/A ALA 116.A N LEU 206.A O no hydrogen 3.028 N/A VAL 117.A N PRO 170.A O no hydrogen 3.064 N/A LEU 118.A N GLY 204.A O no hydrogen 2.840 N/A GLU 120.A N ASN 202.A O no hydrogen 2.846 N/A TYR 121.A OH LEU 157.A O no hydrogen 2.591 N/A GLY 124.A N ASP 158.A O no hydrogen 2.927 N/A THR 125.A OG1 THR 135.A O no hydrogen 3.449 N/A THR 125.A OG1 THR 135.A OG1 no hydrogen 2.619 N/A ALA 127.A N THR 125.A OG1 no hydrogen 3.227 N/A GLY 129.A N VAL 126.A O no hydrogen 3.012 N/A THR 130.A OG1 THR 132.A OG1 no hydrogen 3.027 N/A GLY 131.A N ALA 127.A O no hydrogen 2.980 N/A THR 132.A OG1 THR 130.A OG1 no hydrogen 3.027 N/A THR 135.A OG1 THR 125.A OG1 no hydrogen 2.619 N/A TYR 139.A OH GLN 143.A OE1 no hydrogen 3.163 N/A GLN 141.A N PRO 138.A O no hydrogen 2.666 N/A THR 142.A N PRO 138.A O no hydrogen 3.263 N/A THR 142.A N TYR 139.A O no hydrogen 3.249 N/A THR 142.A OG1 TYR 139.A O no hydrogen 3.359 N/A GLN 143.A N TYR 139.A O no hydrogen 2.971 N/A GLN 143.A NE2 LEU 198.A O no hydrogen 3.093 N/A GLY 145.A N ASP 75.A OD2 no hydrogen 2.649 N/A GLY 148.A N GLY 145.A O no hydrogen 3.412 N/A PHE 149.A N TYR 70.A O no hydrogen 3.116 N/A LEU 151.A N GLY 68.A O no hydrogen 2.958 N/A GLN 152.A N ASP 158.A OD2 no hydrogen 2.934 N/A HIS 153.A N ASP 158.A OD1 no hydrogen 2.656 N/A VAL 156.A N HIS 153.A O no hydrogen 3.139 N/A LEU 157.A N PRO 154.A O no hydrogen 3.026 N/A ASP 158.A N HIS 153.A O no hydrogen 3.387 N/A ALA 159.A N VAL 156.A O no hydrogen 2.914 N/A ILE 161.A N VAL 156.A O no hydrogen 3.138 N/A ILE 163.A N TYR 155.A O no hydrogen 3.119 N/A GLN 165.A N PRO 162.A O no hydrogen 3.192 N/A LEU 166.A N ILE 163.A O no hydrogen 2.848 N/A VAL 168.A N GLN 165.A O no hydrogen 3.132 N/A CYS 169.A N LEU 166.A O no hydrogen 2.968 N/A HIS 171.A ND1 CYS 169.A O no hydrogen 2.775 N/A GLN 172.A N VAL 115.A O no hydrogen 2.884 N/A GLN 172.A NE2 ALA 20.A O no hydrogen 2.898 N/A GLN 172.A NE2 ASN 21.A O no hydrogen 3.303 N/A ILE 174.A N LEU 113.A O no hydrogen 2.806 N/A ASN 175.A N ASN 179.A OD1 no hydrogen 3.177 N/A LEU 176.A N GLY 111.A O no hydrogen 3.086 N/A THR 178.A N ASN 175.A O no hydrogen 2.574 N/A ASN 179.A N ASN 175.A O no hydrogen 2.937 N/A ASN 179.A ND2 TRP 173.A O no hydrogen 2.829 N/A ASN 179.A ND2 CYS 181.A O no hydrogen 2.960 N/A ASN 180.A N GLU 18.A O no hydrogen 2.938 N/A CYS 181.A SG THR 16.A OG1 no hydrogen 3.239 N/A CYS 181.A SG ASN 180.A OD1 no hydrogen 3.553 N/A ALA 182.A N VAL 101.A O no hydrogen 2.910 N/A THR 183.A N GLN 172.A OE1 no hydrogen 2.792 N/A THR 183.A OG1 HIS 100.A ND1 no hydrogen 2.896 N/A ILE 184.A N ILE 99.A O no hydrogen 2.892 N/A ILE 185.A N ILE 23.A O no hydrogen 2.748 N/A VAL 186.A N PHE 97.A O no hydrogen 2.712 N/A ASN 190.A ND2 TYR 188.A OH no hydrogen 3.078 N/A ASN 190.A ND2 ASP 195.A OD2 no hydrogen 2.963 N/A ALA 191.A N ASN 190.A OD1 no hydrogen 2.655 N/A ASP 195.A N TYR 93.A O no hydrogen 3.029 N/A SER 196.A N ASP 195.A OD1 no hydrogen 2.870 N/A LEU 198.A N SER 196.A OG no hydrogen 3.152 N/A ASN 199.A N SER 196.A OG no hydrogen 3.211 N/A HIS 200.A N SER 196.A O no hydrogen 3.352 N/A HIS 200.A ND1 ASP 195.A OD2 no hydrogen 2.697 N/A HIS 200.A NE2 GLU 120.A OE1 no hydrogen 2.818 N/A HIS 200.A NE2 GLU 120.A OE2 no hydrogen 3.022 N/A GLY 204.A N LEU 118.A O no hydrogen 2.892 N/A LEU 205.A N TRP 71.A O no hydrogen 2.773 N/A LEU 206.A N ALA 116.A O no hydrogen 2.865 N/A VAL 207.A N TRP 69.A O no hydrogen 2.983 N/A VAL 208.A N LEU 114.A O no hydrogen 3.073 N/A ILE 210.A N ALA 112.A O no hydrogen 2.996 N/A SER 211.A N ALA 112.A O no hydrogen 3.346 N/A ASP 214.A N GLN 110.A O no hydrogen 3.021 N/A TYR 215.A N ASP 214.A OD1 no hydrogen 2.800 N/A ALA 219.A N ASP 216.A O no hydrogen 3.167 N/A ILE 225.A N LYS 60.A O no hydrogen 2.799 N/A THR 226.A N GLN 102.A O no hydrogen 2.838 N/A THR 226.A OG1 THR 59.A OG1 no hydrogen 3.001 N/A ILE 227.A N ASP 58.A O no hydrogen 2.952 N/A THR 228.A N HIS 100.A O no hydrogen 3.207 N/A THR 228.A OG1 THR 56.A OG1 no hydrogen 2.928 N/A THR 228.A OG1 GLN 102.A OE1 no hydrogen 2.874 N/A LEU 229.A N TYR 55.A O no hydrogen 2.917 N/A ALA 230.A N CYS 98.A O no hydrogen 2.886 N/A MET 232.A N GLY 96.A O no hydrogen 2.812 N/A SER 234.A N ASN 52.A OD1 no hydrogen 3.285 N/A SER 234.A OG ASN 52.A OD1 no hydrogen 2.692 N/A GLU 235.A N ARG 94.A O no hydrogen 2.915 N/A PHE 236.A N THR 45.A O no hydrogen 3.069 N/A ALA 237.A N LEU 92.A O no hydrogen 3.064 N/A GLY 238.A N ASP 42.A OD2 no hydrogen 2.880 N/A ARG 240.A N PHE 89.A O no hydrogen 3.080 N/A ARG 240.A NH1 GLN 241.A O no hydrogen 3.386 N/A GLN 241.A N GLN 241.A OE1 no hydrogen 2.841 N/A VAL 243.A N GLN 88.A O no hydrogen 3.113 N/A