Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b2y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N SER 4.A OG no hydrogen 3.026 N/A GLU 7.A N SER 4.A O no hydrogen 3.500 N/A SER 8.A OG ALA 113.A O no hydrogen 2.773 N/A PHE 9.A N GLY 114.A O no hydrogen 2.808 N/A TRP 11.A N SER 20.A OG no hydrogen 2.846 N/A GLN 12.A NE2.A GLN 19.A OE1 no hydrogen 2.584 N/A SER 13.A N CYS 18.A O no hydrogen 2.819 N/A SER 13.A OG ASP 239.A OD1 no hydrogen 2.743 N/A GLU 14.A N ASP 239.A OD2 no hydrogen 2.598 N/A ILE 15.A N ASP 239.A OD2 no hydrogen 3.240 N/A PHE 16.A N SER 13.A OG no hydrogen 2.966 N/A CYS 18.A N SER 13.A O no hydrogen 3.262 N/A CYS 18.A SG PHE 16.A O no hydrogen 3.806 N/A CYS 18.A SG GLN 19.A O no hydrogen 3.537 N/A GLN 19.A NE2 ASN 21.A OD1 no hydrogen 3.157 N/A SER 20.A N TRP 11.A O no hydrogen 2.810 N/A SER 20.A OG TRP 11.A O no hydrogen 3.333 N/A ASN 21.A ND2 LYS 112.A O no hydrogen 2.960 N/A ASP 22.A N GLN 19.A O no hydrogen 3.076 N/A ALA 25.A N ASP 22.A OD1 no hydrogen 3.245 N/A PHE 26.A N ASP 22.A O no hydrogen 2.979 N/A TYR 27.A N ILE 23.A O no hydrogen 2.927 N/A TYR 27.A OH ALA 51.A O no hydrogen 2.867 N/A ALA 28.A N ASP 24.A O no hydrogen 3.015 N/A GLN 29.A N ALA 25.A O no hydrogen 2.896 N/A LEU 30.A N PHE 26.A O no hydrogen 2.864 N/A ALA 31.A N TYR 27.A O no hydrogen 3.002 N/A GLU 32.A N ALA 28.A O no hydrogen 3.304 N/A GLU 33.A N GLN 29.A O no hydrogen 3.180 N/A VAL 34.A N LEU 30.A O no hydrogen 2.930 N/A ASN 35.A N ALA 31.A O no hydrogen 3.042 N/A ARG 36.A N GLU 32.A O no hydrogen 3.237 N/A ARG 36.A NE GLU 33.A OE1 no hydrogen 2.920 N/A ARG 36.A NH1 LEU 90.A O no hydrogen 3.121 N/A ARG 36.A NH2 GLU 33.A OE1 no hydrogen 2.986 N/A ARG 36.A NH2 LEU 90.A O no hydrogen 3.127 N/A LEU 37.A N GLU 33.A O no hydrogen 2.957 N/A GLY 38.A N ASN 35.A O no hydrogen 3.354 N/A LEU 39.A N VAL 34.A O no hydrogen 2.994 N/A LYS 40.A N GLN 56.A O no hydrogen 2.845 N/A ASN 42.A N LEU 54.A O no hydrogen 2.780 N/A THR 43.A OG1 ASN 53.A OD1 no hydrogen 2.568 N/A LEU 44.A N ILE 52.A O no hydrogen 2.715 N/A VAL 47.A N PHE 50.A O no hydrogen 3.056 N/A PHE 50.A N VAL 47.A O no hydrogen 2.918 N/A ILE 52.A N GLY 45.A O no hydrogen 2.598 N/A ASN 53.A ND2 TYR 55.A OH no hydrogen 3.282 N/A LEU 54.A N ASN 42.A O no hydrogen 2.704 N/A TYR 55.A N LEU 102.A O no hydrogen 2.859 N/A GLN 56.A N LYS 40.A O no hydrogen 3.056 N/A GLN 56.A NE2 SER 101.A OG no hydrogen 2.833 N/A GLN 60.A NE2 SER 57.A O no hydrogen 2.998 N/A ARG 61.A N ASN 99.A OD1 no hydrogen 2.960 N/A ASP 63.A N ASP 63.A OD1 no hydrogen 2.550 N/A LEU 64.A N ARG 61.A O no hydrogen 3.154 N/A SER 66.A N ASP 152.A OD2 no hydrogen 2.723 N/A LEU 67.A N ASN 99.A O no hydrogen 3.017 N/A LEU 68.A N GLY 153.A O no hydrogen 3.135 N/A ILE 69.A N SER 101.A O no hydrogen 3.001 N/A SER 70.A N LEU 155.A O no hydrogen 2.941 N/A SER 70.A OG THR 156.A OG1.B no hydrogen 2.913 N/A SER 71.A N.A LEU 103.A O no hydrogen 2.982 N/A SER 71.A N.B LEU 103.A O no hydrogen 2.942 N/A SER 71.A OG.A CYS 157.A O no hydrogen 2.745 N/A SER 71.A OG.B PRO 104.A O no hydrogen 2.419 N/A HIS 74.A NE2 ASN 123.A OD1 no hydrogen 2.679 N/A GLY 75.A N ARG 116.A O no hydrogen 3.435 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.634 N/A GLU 77.A N HIS 74.A O no hydrogen 2.969 N/A ALA 79.A N GLU 159.A OE2 no hydrogen 2.968 N/A GLY 80.A N GLU 77.A O no hydrogen 3.287 N/A TRP 82.A N ALA 78.A O no hydrogen 3.289 N/A TRP 82.A NE1 SER 20.A O no hydrogen 2.888 N/A GLY 83.A N ALA 79.A O no hydrogen 2.765 N/A HIS 85.A N TRP 82.A O no hydrogen 2.999 N/A HIS 85.A ND1 SER 246.A OG no hydrogen 3.037 N/A PHE 86.A N GLY 83.A O no hydrogen 2.943 N/A ARG 88.A N LEU 84.A O no hydrogen 2.939 N/A GLY 89.A N PHE 86.A O no hydrogen 3.008 N/A LEU 90.A N LEU 87.A O no hydrogen 3.203 N/A LEU 94.A N GLN 91.A O no hydrogen 3.114 N/A PHE 95.A N PRO 92.A O no hydrogen 2.954 N/A GLU 96.A N ALA 93.A O no hydrogen 3.057 N/A ARG 97.A N LEU 94.A O no hydrogen 2.965 N/A ARG 97.A NE ALA 256.A O no hydrogen 2.711 N/A ARG 97.A NH2 ALA 256.A O no hydrogen 3.434 N/A ASN 99.A N PRO 65.A O no hydrogen 2.765 N/A ASN 99.A ND2 ARG 61.A O no hydrogen 2.758 N/A SER 101.A N LEU 67.A O no hydrogen 2.725 N/A LEU 102.A N TYR 55.A O no hydrogen 2.914 N/A LEU 103.A N ILE 69.A O no hydrogen 2.875 N/A VAL 106.A N SER 71.A O.A no hydrogen 3.419 N/A VAL 106.A N SER 71.A O.B no hydrogen 3.413 N/A ASN 107.A N GLY 72.A O no hydrogen 2.870 N/A ASN 107.A ND2 PHE 73.A O no hydrogen 3.117 N/A GLY 110.A N ASN 107.A OD1 no hydrogen 3.021 N/A PHE 111.A N ASN 107.A O no hydrogen 3.012 N/A LYS 112.A N PRO 108.A O no hydrogen 2.953 N/A ALA 113.A N THR 109.A O no hydrogen 3.305 N/A ALA 113.A N GLY 110.A O no hydrogen 3.208 N/A GLY 114.A N PHE 111.A O no hydrogen 3.208 N/A HIS 115.A N GLY 110.A O no hydrogen 3.004 N/A ARG 116.A NH1 GLU 76.A OE2 no hydrogen 2.887 N/A ARG 116.A NH1 GLU 77.A OE2 no hydrogen 2.980 N/A ASN 118.A N GLU 122.A O no hydrogen 3.069 N/A ASN 118.A ND2 GLU 122.A OE1 no hydrogen 2.900 N/A ASN 118.A ND2 GLU 135.A OE1 no hydrogen 2.844 N/A ASN 118.A ND2 GLU 135.A OE2 no hydrogen 3.138 N/A ARG 119.A N THR 109.A OG1 no hydrogen 3.002 N/A ARG 119.A NE ASP 48.A OD2 no hydrogen 2.679 N/A ARG 119.A NH2 ASP 48.A OD1 no hydrogen 3.040 N/A PHE 120.A N ASN 118.A OD1 no hydrogen 2.991 N/A GLY 121.A N ASN 118.A O no hydrogen 3.009 N/A GLU 122.A N ASN 118.A OD1 no hydrogen 2.925 N/A ASN 125.A N ASN 123.A OD1 no hydrogen 2.968 N/A ARG 126.A N ASN 123.A O no hydrogen 3.311 N/A GLY 127.A N THR 213.A OG1 no hydrogen 2.806 N/A PHE 128.A N THR 213.A O no hydrogen 2.741 N/A SER 133.A OG GLU 135.A OE1 no hydrogen 2.832 N/A LEU 134.A N GLU 122.A OE1 no hydrogen 2.857 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.737 N/A GLY 136.A N SER 133.A OG no hydrogen 2.968 N/A LYS 137.A N SER 133.A O no hydrogen 2.946 N/A LYS 137.A NZ THR 132.A OG1 no hydrogen 3.025 N/A LEU 138.A N LEU 134.A O no hydrogen 3.062 N/A LEU 139.A N GLU 135.A O no hydrogen 2.960 N/A LEU 140.A N GLY 136.A O no hydrogen 2.927 N/A GLU 141.A N LYS 137.A O no hydrogen 3.076 N/A HIS 142.A N LEU 139.A O no hydrogen 2.939 N/A HIS 142.A ND1 LEU 138.A O no hydrogen 2.991 N/A ALA 143.A N LEU 140.A O no hydrogen 3.190 N/A LEU 146.A N HIS 142.A O no hydrogen 3.024 N/A CYS 147.A N ALA 143.A O no hydrogen 2.843 N/A CYS 147.A SG ALA 143.A O no hydrogen 3.351 N/A ALA 148.A N GLN 144.A O no hydrogen 3.027 N/A ALA 149.A N LEU 145.A O no hydrogen 3.007 N/A SER 150.A N CYS 147.A O no hydrogen 3.189 N/A SER 150.A OG LEU 146.A O no hydrogen 2.783 N/A SER 150.A OG CYS 147.A O no hydrogen 3.208 N/A ASP 152.A N SER 66.A O no hydrogen 2.914 N/A GLY 153.A N SER 150.A O no hydrogen 2.999 N/A ILE 154.A N.A LEU 226.A O no hydrogen 3.028 N/A ILE 154.A N.B LEU 226.A O no hydrogen 3.040 N/A LEU 155.A N LEU 68.A O no hydrogen 3.016 N/A THR 156.A N.A ALA 228.A O no hydrogen 2.988 N/A THR 156.A N.B ALA 228.A O no hydrogen 3.039 N/A THR 156.A OG1.A ALA 228.A O no hydrogen 3.424 N/A THR 156.A OG1.B SER 70.A O no hydrogen 3.413 N/A THR 156.A OG1.B SER 70.A OG no hydrogen 2.913 N/A THR 156.A OG1.B HIS 158.A NE2 no hydrogen 3.377 N/A CYS 157.A N SER 70.A O no hydrogen 2.966 N/A CYS 157.A SG SER 230.A OG no hydrogen 3.740 N/A HIS 158.A N SER 230.A O no hydrogen 2.871 N/A GLU 159.A N GLU 77.A OE1 no hydrogen 3.168 N/A ASP 160.A N THR 232.A O no hydrogen 2.803 N/A THR 165.A N LYS 192.A O no hydrogen 2.768 N/A THR 165.A OG1 GLU 231.A O no hydrogen 2.869 N/A TYR 166.A N GLU 231.A O no hydrogen 3.277 N/A TYR 166.A OH ASP 160.A OD2 no hydrogen 2.657 N/A VAL 167.A N GLY 205.A O no hydrogen 2.973 N/A TYR 168.A N CYS 229.A O no hydrogen 2.820 N/A SER 169.A N ILE 207.A O no hydrogen 2.767 N/A SER 169.A OG SER 180.A OG no hydrogen 2.725 N/A PHE 170.A N ALA 227.A O no hydrogen 2.905 N/A GLU 171.A N ASN 209.A OD1 no hydrogen 3.216 N/A THR 173.A OG1 THR 175.A O no hydrogen 2.694 N/A GLY 177.A N GLU 171.A OE2 no hydrogen 3.079 N/A SER 180.A N GLU 171.A OE2 no hydrogen 3.159 N/A SER 180.A OG SER 169.A OG no hydrogen 2.725 N/A SER 180.A OG GLU 171.A OE2 no hydrogen 2.581 N/A LEU 181.A N GLY 177.A O no hydrogen 3.070 N/A GLY 182.A N ARG 178.A O no hydrogen 2.904 N/A LEU 183.A N PHE 179.A O no hydrogen 3.298 N/A ARG 184.A N SER 180.A O no hydrogen 2.947 N/A ARG 184.A NE ASP 185.A OD1 no hydrogen 3.193 N/A ARG 184.A NH1 ASP 204.A O no hydrogen 3.191 N/A ARG 184.A NH2 ASP 185.A OD1 no hydrogen 3.314 N/A ASP 185.A N LEU 181.A O no hydrogen 2.814 N/A ALA 186.A N GLY 182.A O no hydrogen 2.945 N/A LEU 187.A N LEU 183.A O no hydrogen 3.114 N/A GLY 188.A N ARG 184.A O no hydrogen 2.773 N/A GLN 189.A N ASP 185.A O no hydrogen 3.183 N/A TYR 190.A N LEU 187.A O no hydrogen 3.045 N/A PHE 191.A N LEU 187.A O no hydrogen 3.256 N/A ALA 194.A N THR 165.A O no hydrogen 2.826 N/A ILE 197.A N CYS 200.A O no hydrogen 2.895 N/A CYS 200.A N ILE 197.A O no hydrogen 2.720 N/A CYS 200.A SG PRO 201.A O no hydrogen 3.886 N/A CYS 200.A SG HIS 210.A ND1 no hydrogen 3.898 N/A THR 203.A N VAL 206.A O no hydrogen 2.954 N/A VAL 206.A N THR 203.A O no hydrogen 3.313 N/A ILE 207.A N VAL 167.A O no hydrogen 2.839 N/A ASN 209.A N SER 169.A O no hydrogen 2.665 N/A ASN 209.A ND2 GLU 171.A O no hydrogen 3.070 N/A SER 214.A N ASP 212.A OD1 no hydrogen 3.171 N/A SER 214.A OG ASP 212.A OD1 no hydrogen 2.737 N/A PHE 215.A N ASN 125.A OD1 no hydrogen 3.099 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.759 N/A ALA 217.A N SER 214.A OG no hydrogen 3.130 N/A PHE 218.A N SER 214.A O no hydrogen 3.048 N/A LEU 219.A N PHE 215.A O no hydrogen 2.966 N/A VAL 220.A N GLU 216.A O no hydrogen 3.120 N/A ARG 221.A N ALA 217.A O no hydrogen 2.882 N/A ARG 221.A NH1 ASP 212.A O no hydrogen 3.199 N/A ARG 221.A NH2 ASP 212.A O no hydrogen 3.008 N/A SER 222.A N PHE 218.A O no hydrogen 2.940 N/A SER 222.A OG PHE 218.A O no hydrogen 2.762 N/A GLY 223.A N VAL 220.A O no hydrogen 2.931 N/A ALA 224.A N LEU 219.A O no hydrogen 2.917 N/A LYS 225.A N ARG 151.A O no hydrogen 3.030 N/A ALA 227.A N PHE 170.A O no hydrogen 3.171 N/A ALA 228.A N ILE 154.A O.A no hydrogen 2.886 N/A ALA 228.A N ILE 154.A O.B no hydrogen 3.016 N/A CYS 229.A N TYR 168.A O no hydrogen 2.891 N/A CYS 229.A SG THR 156.A O.B no hydrogen 3.633 N/A CYS 229.A SG GLU 216.A OE2 no hydrogen 3.810 N/A CYS 229.A SG SER 230.A O no hydrogen 3.932 N/A SER 230.A N THR 156.A O.A no hydrogen 2.845 N/A SER 230.A N THR 156.A O.B no hydrogen 3.090 N/A SER 230.A OG THR 156.A O.A no hydrogen 3.437 N/A GLU 231.A N TYR 166.A O no hydrogen 2.965 N/A THR 232.A N HIS 158.A O no hydrogen 3.094 N/A THR 232.A OG1 HIS 158.A O no hydrogen 3.458 N/A THR 232.A OG1 GLU 159.A OE1 no hydrogen 2.912 N/A GLY 234.A N ASP 160.A O no hydrogen 2.938 N/A GLN 235.A NE2 VAL 161.A O no hydrogen 2.862 N/A GLU 236.A N PRO 233.A O no hydrogen 3.325 N/A ARG 240.A N ASP 237.A OD2 no hydrogen 2.926 N/A ARG 240.A NE TYR 190.A O no hydrogen 3.239 N/A ARG 240.A NH2 TYR 190.A O no hydrogen 3.485 N/A ARG 241.A N ASP 237.A O no hydrogen 2.981 N/A ARG 241.A NE GLU 159.A OE1 no hydrogen 2.728 N/A ARG 241.A NH1 GLU 236.A O no hydrogen 2.932 N/A ARG 241.A NH2 GLU 159.A OE2 no hydrogen 3.021 N/A VAL 242.A N PHE 238.A O no hydrogen 2.948 N/A GLN 243.A N ASP 239.A O no hydrogen 2.970 N/A ALA 244.A N ARG 240.A O no hydrogen 2.905 N/A ASN 245.A N ARG 241.A O no hydrogen 2.952 N/A ASN 245.A ND2 THR 232.A OG1 no hydrogen 3.088 N/A ASN 245.A ND2 ARG 241.A O no hydrogen 2.844 N/A SER 246.A N VAL 242.A O no hydrogen 3.056 N/A SER 246.A OG HIS 85.A ND1 no hydrogen 3.037 N/A ALA 247.A N GLN 243.A O no hydrogen 2.949 N/A ALA 248.A N ALA 244.A O no hydrogen 2.854 N/A GLN 250.A N ALA 247.A O no hydrogen 2.940 N/A PHE 251.A N ALA 248.A O no hydrogen 2.874 N/A ALA 253.A N GLY 249.A O no hydrogen 2.926 N/A HIS 254.A N GLN 250.A O no hydrogen 2.966 N/A CYS 255.A N PHE 251.A O no hydrogen 2.919 N/A CYS 255.A SG HIS 254.A ND1 no hydrogen 4.037 N/A ALA 256.A N ILE 252.A O no hydrogen 2.737 N/A