Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3otd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N SER 2.A OG no hydrogen 3.119 N/A GLU 5.A N SER 2.A OG no hydrogen 3.106 N/A VAL 7.A N PHE 4.A O no hydrogen 3.098 N/A ARG 8.A N GLU 5.A O no hydrogen 2.909 N/A ASP 9.A N TYR 6.A O no hydrogen 2.925 N/A PHE 10.A N VAL 7.A O no hydrogen 3.350 N/A GLU 11.A N ARG 8.A O no hydrogen 3.146 N/A THR 15.A OG1 ASP 13.A OD1 no hydrogen 2.574 N/A CYS 16.A N ARG 89.A O no hydrogen 2.755 N/A CYS 16.A SG ARG 89.A O no hydrogen 3.450 N/A CYS 20.A SG ALA 18.A O no hydrogen 3.391 N/A TRP 21.A N TYR 132.A O no hydrogen 3.055 N/A TRP 21.A NE1 ASN 135.A OD1 no hydrogen 2.876 N/A VAL 23.A N VAL 130.A O no hydrogen 2.897 N/A VAL 24.A N PHE 78.A O no hydrogen 2.912 N/A ARG 25.A N ARG 128.A O no hydrogen 3.033 N/A ARG 25.A NE ASP 27.A OD1 no hydrogen 3.239 N/A ARG 25.A NH2 ASP 27.A OD1 no hydrogen 3.210 N/A LEU 26.A N TYR 76.A O no hydrogen 2.841 N/A ASP 27.A N ASP 126.A O no hydrogen 2.832 N/A GLY 28.A N ASP 74.A O no hydrogen 2.882 N/A ARG 29.A N GLY 124.A O no hydrogen 2.787 N/A ARG 33.A N ASN 30.A O no hydrogen 3.266 N/A PHE 34.A N ASN 30.A O no hydrogen 3.259 N/A ALA 35.A N PHE 31.A O no hydrogen 2.861 N/A GLU 36.A N HIS 32.A O no hydrogen 3.250 N/A LYS 37.A N ARG 33.A O no hydrogen 2.900 N/A HIS 38.A N PHE 34.A O no hydrogen 3.027 N/A HIS 38.A N ALA 35.A O no hydrogen 3.296 N/A HIS 38.A ND1 PHE 34.A O no hydrogen 2.765 N/A ASN 39.A N GLU 36.A O no hydrogen 3.111 N/A ASN 39.A ND2 GLN 117.A OE1 no hydrogen 2.688 N/A PHE 40.A N ALA 35.A O no hydrogen 2.952 N/A ALA 41.A N ASP 45.A OD2 no hydrogen 2.551 N/A ASN 44.A ND2 ASN 153.A OD1 no hydrogen 2.815 N/A SER 46.A OG TYR 204.A OH no hydrogen 2.593 N/A ARG 47.A N ASP 45.A OD1 no hydrogen 3.028 N/A ARG 47.A NE ASP 45.A OD1 no hydrogen 2.950 N/A ARG 47.A NE ASP 45.A OD2 no hydrogen 3.436 N/A ARG 47.A NH2 ASN 39.A O no hydrogen 3.002 N/A ARG 47.A NH2 ASP 45.A OD2 no hydrogen 2.802 N/A ALA 48.A N ASP 45.A OD1 no hydrogen 3.416 N/A LEU 49.A N ASP 45.A O no hydrogen 3.091 N/A GLN 50.A N SER 46.A O no hydrogen 2.946 N/A LEU 51.A N ARG 47.A O no hydrogen 2.906 N/A MET 52.A N ALA 48.A O no hydrogen 2.997 N/A THR 53.A N LEU 49.A O no hydrogen 3.059 N/A THR 53.A OG1 LEU 49.A O no hydrogen 3.439 N/A THR 53.A OG1 TYR 76.A OH no hydrogen 2.837 N/A LYS 54.A N GLN 50.A O no hydrogen 2.937 N/A CYS 55.A N LEU 51.A O no hydrogen 2.960 N/A CYS 55.A SG LEU 51.A O no hydrogen 3.422 N/A CYS 55.A SG PHE 102.A O no hydrogen 3.720 N/A ALA 56.A N MET 52.A O no hydrogen 2.871 N/A GLN 57.A N THR 53.A O no hydrogen 2.830 N/A GLN 57.A NE2 PRO 216.A O no hydrogen 2.926 N/A THR 58.A N LYS 54.A O no hydrogen 3.012 N/A THR 58.A OG1 LYS 54.A O no hydrogen 3.129 N/A VAL 59.A N CYS 55.A O no hydrogen 2.949 N/A MET 60.A N ALA 56.A O no hydrogen 2.972 N/A GLU 61.A N GLN 57.A O no hydrogen 2.944 N/A GLU 62.A N THR 58.A O no hydrogen 2.867 N/A LEU 63.A N VAL 59.A O no hydrogen 2.968 N/A VAL 67.A N VAL 79.A O no hydrogen 2.921 N/A ALA 69.A N LEU 210.A O no hydrogen 3.027 N/A TYR 70.A N SER 77.A O no hydrogen 2.984 N/A TYR 70.A OH LYS 206.A O no hydrogen 2.614 N/A GLY 71.A N THR 208.A O no hydrogen 2.809 N/A GLN 72.A N GLU 75.A O no hydrogen 3.175 N/A GLU 75.A N GLN 72.A O no hydrogen 2.872 N/A TYR 76.A N LEU 26.A O no hydrogen 3.122 N/A TYR 76.A OH THR 53.A OG1 no hydrogen 2.837 N/A SER 77.A N TYR 70.A O no hydrogen 2.853 N/A SER 77.A OG TYR 141.A OH no hydrogen 2.732 N/A PHE 78.A N VAL 24.A O no hydrogen 2.725 N/A VAL 79.A N ILE 68.A O no hydrogen 2.889 N/A PHE 80.A N VAL 22.A O no hydrogen 2.805 N/A LYS 81.A N ASP 65.A O no hydrogen 2.882 N/A LYS 81.A NZ GLU 238.A OE1 no hydrogen 3.329 N/A LYS 81.A NZ GLU 238.A OE2 no hydrogen 3.006 N/A THR 84.A N LYS 81.A O no hydrogen 3.294 N/A THR 84.A OG1 ASP 65.A OD2 no hydrogen 2.566 N/A TRP 86.A N THR 84.A OG1 no hydrogen 3.179 N/A LYS 88.A N ASN 85.A O no hydrogen 3.042 N/A ARG 89.A NE CYS 16.A O no hydrogen 3.026 N/A ARG 89.A NH1 THR 84.A O no hydrogen 2.901 N/A ARG 89.A NH2 LEU 17.A O no hydrogen 2.855 N/A ARG 89.A NH2 CYS 20.A O no hydrogen 2.898 N/A ARG 90.A N PHE 87.A O no hydrogen 3.117 N/A ARG 90.A NE ASP 14.A OD1 no hydrogen 3.012 N/A ARG 90.A NH2 ASP 14.A OD1 no hydrogen 3.425 N/A ALA 91.A N ASP 14.A O no hydrogen 2.765 N/A SER 92.A N ASP 14.A OD2 no hydrogen 2.614 N/A SER 92.A OG ASP 14.A OD2 no hydrogen 3.136 N/A LYS 93.A N ARG 90.A O no hydrogen 3.035 N/A PHE 94.A N ARG 90.A O no hydrogen 3.336 N/A MET 95.A N ALA 91.A O no hydrogen 3.003 N/A THR 96.A N SER 92.A O no hydrogen 2.950 N/A THR 96.A OG1 SER 92.A O no hydrogen 2.940 N/A HIS 97.A N LYS 93.A O no hydrogen 3.059 N/A HIS 97.A ND1 LYS 93.A O no hydrogen 3.115 N/A VAL 98.A N PHE 94.A O no hydrogen 3.089 N/A ALA 99.A N MET 95.A O no hydrogen 2.857 N/A SER 100.A N THR 96.A O no hydrogen 2.853 N/A SER 100.A OG THR 96.A O no hydrogen 2.703 N/A SER 100.A OG HIS 97.A O no hydrogen 3.421 N/A GLN 101.A N HIS 97.A O no hydrogen 3.193 N/A PHE 102.A N VAL 98.A O no hydrogen 3.044 N/A ALA 103.A N ALA 99.A O no hydrogen 3.039 N/A SER 104.A N SER 100.A O no hydrogen 2.977 N/A SER 104.A OG SER 100.A O no hydrogen 3.434 N/A SER 104.A OG GLN 101.A O no hydrogen 3.213 N/A SER 105.A N GLN 101.A O no hydrogen 3.299 N/A SER 105.A OG GLN 101.A O no hydrogen 2.863 N/A TYR 106.A N PHE 102.A O no hydrogen 2.929 N/A VAL 107.A N ALA 103.A O no hydrogen 3.409 N/A PHE 108.A N SER 104.A O no hydrogen 2.931 N/A TYR 109.A N SER 105.A O no hydrogen 2.916 N/A TRP 110.A N VAL 107.A O no hydrogen 3.326 N/A TRP 110.A NE1 GLN 117.A O no hydrogen 3.018 N/A ASP 112.A N TYR 109.A O no hydrogen 3.062 N/A TYR 113.A N TRP 110.A O no hydrogen 3.056 N/A PHE 114.A N TRP 110.A O no hydrogen 2.886 N/A GLN 117.A NE2 PRO 118.A O no hydrogen 3.062 N/A LEU 120.A N HIS 38.A NE2 no hydrogen 3.098 N/A ASP 126.A N ASP 27.A O no hydrogen 2.615 N/A ARG 128.A N ARG 25.A O no hydrogen 3.081 N/A ARG 128.A NH2 ASP 27.A OD2 no hydrogen 3.421 N/A VAL 130.A N VAL 23.A O no hydrogen 2.956 N/A TYR 132.A N TRP 21.A O no hydrogen 2.962 N/A SER 134.A N THR 137.A OG1 no hydrogen 2.996 N/A SER 134.A OG THR 137.A OG1 no hydrogen 3.191 N/A ASN 135.A ND2 LEU 236.A O no hydrogen 3.316 N/A GLN 136.A NE2 ASP 140.A OD1 no hydrogen 2.698 N/A THR 137.A N SER 134.A OG no hydrogen 3.209 N/A THR 137.A OG1 SER 134.A O no hydrogen 2.761 N/A THR 137.A OG1 SER 134.A OG no hydrogen 3.191 N/A LEU 138.A N SER 134.A O no hydrogen 2.997 N/A LYS 139.A N ASN 135.A O no hydrogen 2.958 N/A ASP 140.A N GLN 136.A O no hydrogen 2.860 N/A TYR 141.A N THR 137.A O no hydrogen 2.943 N/A TYR 141.A OH SER 77.A OG no hydrogen 2.732 N/A LEU 142.A N LEU 138.A O no hydrogen 3.047 N/A SER 143.A N LYS 139.A O no hydrogen 2.836 N/A SER 143.A OG LYS 139.A O no hydrogen 3.052 N/A TRP 144.A N ASP 140.A O no hydrogen 2.859 N/A ARG 145.A N TYR 141.A O no hydrogen 3.047 N/A ARG 145.A NE GLU 75.A OE2 no hydrogen 2.851 N/A ARG 145.A NH2 GLU 75.A OE1 no hydrogen 2.747 N/A ARG 145.A NH2 GLU 75.A OE2 no hydrogen 3.419 N/A GLN 146.A N LEU 142.A O no hydrogen 2.903 N/A GLN 146.A NE2 LYS 206.A O no hydrogen 3.087 N/A GLN 146.A NE2 CYS 221.A O no hydrogen 2.956 N/A ALA 147.A N SER 143.A O no hydrogen 2.757 N/A ASP 148.A N TRP 144.A O no hydrogen 3.078 N/A CYS 149.A N ARG 145.A O no hydrogen 3.029 N/A CYS 149.A SG TYR 204.A O no hydrogen 3.753 N/A CYS 149.A SG ARG 205.A O no hydrogen 3.756 N/A HIS 150.A N GLN 146.A O no hydrogen 3.013 N/A ILE 151.A N ALA 147.A O no hydrogen 2.908 N/A ASN 152.A N ASP 148.A O no hydrogen 3.011 N/A ASN 152.A ND2 ASP 148.A OD1 no hydrogen 3.399 N/A ASN 153.A N CYS 149.A O no hydrogen 2.860 N/A ASN 153.A ND2 TYR 197.A OH no hydrogen 2.998 N/A LEU 154.A N HIS 150.A O no hydrogen 3.018 N/A TYR 155.A N ILE 151.A O no hydrogen 3.144 N/A ASN 156.A N ASN 152.A O no hydrogen 2.731 N/A THR 157.A N ASN 153.A O no hydrogen 2.836 N/A THR 157.A OG1 ASN 153.A O no hydrogen 2.656 N/A VAL 158.A N LEU 154.A O no hydrogen 3.272 N/A PHE 159.A N TYR 155.A O no hydrogen 2.883 N/A TRP 160.A N ASN 156.A O no hydrogen 2.900 N/A ALA 161.A N THR 157.A O no hydrogen 3.116 N/A LEU 162.A N VAL 158.A O no hydrogen 2.957 N/A ILE 163.A N PHE 159.A O no hydrogen 3.328 N/A GLN 164.A N TRP 160.A O no hydrogen 2.805 N/A GLN 165.A N ALA 161.A O no hydrogen 2.840 N/A SER 166.A N ALA 161.A O no hydrogen 3.237 N/A SER 166.A N LEU 162.A O no hydrogen 3.187 N/A GLY 167.A N ILE 163.A O no hydrogen 3.128 N/A LEU 168.A N LEU 162.A O no hydrogen 2.982 N/A THR 169.A N GLN 172.A OE1 no hydrogen 3.015 N/A GLN 172.A N THR 169.A OG1 no hydrogen 3.115 N/A ALA 173.A N THR 169.A O no hydrogen 2.820 N/A GLN 174.A N PRO 170.A O no hydrogen 3.042 N/A GLY 175.A N VAL 171.A O no hydrogen 3.144 N/A ARG 176.A N GLN 172.A O no hydrogen 2.963 N/A ARG 176.A NH1 ARG 176.A O no hydrogen 2.817 N/A LEU 177.A N ALA 173.A O no hydrogen 3.033 N/A GLN 178.A N GLN 174.A O no hydrogen 2.982 N/A THR 180.A N LEU 177.A O no hydrogen 3.131 N/A THR 180.A OG1 LEU 177.A O no hydrogen 2.471 N/A LEU 181.A N ASP 184.A OD2 no hydrogen 2.717 N/A LYS 185.A N LEU 181.A O no hydrogen 3.003 N/A LYS 185.A NZ THR 180.A OG1 no hydrogen 2.961 N/A ASN 186.A N ALA 182.A O no hydrogen 3.094 N/A GLU 187.A N ALA 183.A O no hydrogen 2.940 N/A ILE 188.A N ASP 184.A O no hydrogen 2.912 N/A LEU 189.A N LYS 185.A O no hydrogen 3.063 N/A PHE 190.A N ASN 186.A O no hydrogen 3.072 N/A SER 191.A N GLU 187.A O no hydrogen 2.825 N/A SER 191.A OG GLU 187.A O no hydrogen 3.288 N/A SER 191.A OG GLU 187.A OE1 no hydrogen 2.767 N/A SER 191.A OG GLU 187.A OE2 no hydrogen 3.019 N/A GLU 192.A N ILE 188.A O no hydrogen 2.994 N/A PHE 193.A N LEU 189.A O no hydrogen 3.243 N/A ASN 194.A N PHE 190.A O no hydrogen 3.085 N/A ILE 195.A N LEU 189.A O no hydrogen 2.757 N/A ASN 199.A N ASN 196.A O no hydrogen 3.040 N/A GLU 200.A N TYR 197.A O no hydrogen 2.890 N/A TYR 204.A OH SER 46.A OG no hydrogen 2.593 N/A ARG 205.A N LEU 201.A O no hydrogen 3.126 N/A ARG 205.A NE GLU 200.A O no hydrogen 2.939 N/A LYS 206.A N PRO 202.A O no hydrogen 2.744 N/A LYS 206.A NZ ASP 222.A OD1 no hydrogen 2.884 N/A GLY 207.A N MET 203.A O no hydrogen 2.903 N/A THR 208.A N GLY 71.A O no hydrogen 2.803 N/A VAL 209.A N LEU 219.A O no hydrogen 2.817 N/A LEU 210.A N ALA 69.A O no hydrogen 2.765 N/A ILE 211.A N VAL 217.A O no hydrogen 3.480 N/A TRP 212.A NE1 ILE 66.A O no hydrogen 2.803 N/A GLN 213.A N LYS 215.A O no hydrogen 3.094 N/A LYS 215.A N GLN 213.A O no hydrogen 3.390 N/A VAL 217.A N ILE 211.A O no hydrogen 2.988 N/A LEU 219.A N VAL 209.A O no hydrogen 2.902 N/A CYS 221.A SG ASP 222.A O no hydrogen 3.944 N/A ILE 223.A N GLN 146.A OE1 no hydrogen 2.761 N/A GLY 225.A N ASP 222.A OD2 no hydrogen 2.769 N/A TRP 229.A NE1 ILE 223.A O no hydrogen 2.859 N/A LYS 230.A N ASP 226.A O no hydrogen 2.878 N/A GLU 231.A N ALA 227.A O no hydrogen 3.110 N/A HIS 232.A N PHE 228.A O no hydrogen 3.100 N/A HIS 232.A N TRP 229.A O no hydrogen 3.305 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.425 N/A ILE 235.A N HIS 232.A O no hydrogen 3.453 N/A ASP 237.A N PRO 233.A O no hydrogen 3.075 N/A