Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pdy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N THR 4.A OG1 no hydrogen 3.411 N/A THR 4.A N GLU 1.A O no hydrogen 3.237 N/A LEU 5.A N GLU 1.A O no hydrogen 3.500 N/A ARG 6.A N ASP 2.A O no hydrogen 2.906 N/A TYR 7.A N SER 3.A O no hydrogen 3.286 N/A LEU 8.A N THR 4.A O no hydrogen 3.187 N/A GLN 9.A N LEU 5.A O no hydrogen 2.922 N/A ASP 10.A N ARG 6.A O no hydrogen 2.847 N/A LEU 11.A N TYR 7.A O no hydrogen 3.044 N/A LEU 12.A N LEU 8.A O no hydrogen 2.929 N/A ALA 13.A N GLN 9.A O no hydrogen 2.776 N/A TRP 14.A N ASP 10.A O no hydrogen 2.980 N/A VAL 15.A N LEU 11.A O no hydrogen 3.089 N/A GLU 16.A N LEU 12.A O no hydrogen 2.877 N/A GLU 17.A N ALA 13.A O no hydrogen 2.862 N/A ASN 18.A N TRP 14.A O no hydrogen 3.142 N/A ASN 18.A ND2 TRP 14.A O no hydrogen 2.742 N/A GLN 19.A N VAL 15.A O no hydrogen 2.931 N/A GLN 19.A NE2 ASP 23.A OD1 no hydrogen 3.294 N/A GLN 19.A NE2 ASP 23.A OD2 no hydrogen 3.224 N/A GLN 19.A NE2 SER 90.A OG no hydrogen 3.195 N/A HIS 20.A N GLU 16.A O no hydrogen 3.052 N/A ARG 21.A N GLU 17.A O no hydrogen 2.888 N/A VAL 22.A N ASN 18.A O no hydrogen 2.805 N/A ASP 23.A N GLN 19.A O no hydrogen 2.917 N/A GLY 24.A N HIS 20.A O no hydrogen 3.185 N/A ALA 25.A N VAL 22.A O no hydrogen 3.476 N/A VAL 29.A N SER 33.A OG no hydrogen 2.889 N/A ASP 30.A N SER 33.A OG no hydrogen 2.919 N/A SER 33.A N ASP 30.A OD2 no hydrogen 3.043 N/A SER 33.A OG ASP 30.A O no hydrogen 2.996 N/A SER 33.A OG ASP 30.A OD2 no hydrogen 2.602 N/A VAL 34.A N ASP 30.A O no hydrogen 2.867 N/A GLU 35.A N LEU 31.A O no hydrogen 2.933 N/A ALA 36.A N PRO 32.A O no hydrogen 3.052 N/A GLN 37.A N SER 33.A O no hydrogen 3.214 N/A LEU 38.A N VAL 34.A O no hydrogen 2.939 N/A GLY 39.A N GLU 35.A O no hydrogen 2.842 N/A SER 40.A N ALA 36.A O no hydrogen 2.873 N/A HIS 41.A N GLN 37.A O no hydrogen 2.821 N/A HIS 41.A NE2 SER 91.A O no hydrogen 2.854 N/A ARG 42.A N LEU 38.A O no hydrogen 2.920 N/A ARG 42.A NH2 GLU 99.A OE2 no hydrogen 3.554 N/A GLY 43.A N GLY 39.A O no hydrogen 3.485 N/A LEU 44.A N SER 40.A O no hydrogen 3.193 N/A HIS 45.A N HIS 41.A O no hydrogen 2.745 N/A HIS 45.A ND1 SER 91.A OG no hydrogen 2.683 N/A GLN 46.A N ARG 42.A O no hydrogen 3.046 N/A GLN 46.A NE2 GLU 50.A OE2 no hydrogen 2.768 N/A SER 47.A N GLY 43.A O no hydrogen 3.083 N/A ILE 48.A N LEU 44.A O no hydrogen 2.991 N/A GLU 49.A N HIS 45.A O no hydrogen 2.984 N/A GLU 50.A N GLN 46.A O no hydrogen 2.904 N/A PHE 51.A N ILE 48.A O no hydrogen 3.094 N/A ARG 52.A N GLU 49.A O no hydrogen 3.246 N/A ALA 53.A N GLU 50.A O no hydrogen 3.314 N/A LYS 54.A N PHE 51.A O no hydrogen 2.945 N/A GLU 56.A N ARG 52.A O no hydrogen 2.863 N/A ARG 57.A N ALA 53.A O no hydrogen 3.124 N/A ALA 58.A N LYS 54.A O no hydrogen 3.146 N/A ARG 59.A N ILE 55.A O no hydrogen 2.845 N/A ARG 59.A NH1 ASP 81.A OD2 no hydrogen 2.592 N/A ARG 59.A NH2 GLU 62.A OE1 no hydrogen 3.140 N/A SER 60.A N GLU 56.A O no hydrogen 2.976 N/A ASP 61.A N ARG 57.A O no hydrogen 2.988 N/A GLU 62.A N ARG 59.A O no hydrogen 3.310 N/A GLN 64.A N ASP 61.A O no hydrogen 3.144 N/A LEU 65.A N GLU 62.A O no hydrogen 3.271 N/A SER 66.A OG THR 69.A OG1 no hydrogen 3.378 N/A THR 69.A N SER 66.A O no hydrogen 3.070 N/A THR 69.A OG1 SER 66.A O no hydrogen 3.217 N/A THR 69.A OG1 SER 66.A OG no hydrogen 3.378 N/A ARG 70.A N SER 66.A O no hydrogen 3.222 N/A TYR 73.A N THR 69.A O no hydrogen 3.267 N/A TYR 73.A OH ALA 58.A O no hydrogen 2.695 N/A ARG 74.A N ARG 70.A O no hydrogen 2.972 N/A ASP 75.A N GLY 71.A O no hydrogen 3.047 N/A CYS 76.A N ALA 72.A O no hydrogen 3.085 N/A LEU 77.A N TYR 73.A O no hydrogen 2.925 N/A GLY 78.A N ARG 74.A O no hydrogen 2.851 N/A ARG 79.A N ASP 75.A O no hydrogen 3.154 N/A LEU 80.A N CYS 76.A O no hydrogen 2.938 N/A ASP 81.A N LEU 77.A O no hydrogen 2.771 N/A LEU 82.A N GLY 78.A O no hydrogen 3.090 N/A GLN 83.A N ARG 79.A O no hydrogen 2.947 N/A TYR 84.A N LEU 80.A O no hydrogen 2.968 N/A TYR 84.A OH ILE 48.A O no hydrogen 2.863 N/A ALA 85.A N ASP 81.A O no hydrogen 3.097 N/A LYS 86.A N LEU 82.A O no hydrogen 3.233 N/A LYS 86.A NZ GLN 83.A OE1 no hydrogen 2.779 N/A LEU 87.A N GLN 83.A O no hydrogen 2.988 N/A LEU 88.A N TYR 84.A O no hydrogen 2.859 N/A ASN 89.A N ALA 85.A O no hydrogen 3.061 N/A ASN 89.A ND2 ALA 85.A O no hydrogen 2.810 N/A SER 90.A N LYS 86.A O no hydrogen 2.961 N/A SER 90.A OG LYS 86.A O no hydrogen 2.981 N/A SER 91.A N LEU 87.A O no hydrogen 2.870 N/A SER 91.A OG HIS 45.A ND1 no hydrogen 2.683 N/A LYS 92.A N LEU 88.A O no hydrogen 2.941 N/A ALA 93.A N ASN 89.A O no hydrogen 3.050 N/A ARG 94.A N SER 90.A O no hydrogen 2.960 N/A ARG 94.A NH1 GLU 26.A O no hydrogen 2.650 N/A ARG 94.A NH2 GLU 26.A O no hydrogen 3.152 N/A LEU 95.A N SER 91.A O no hydrogen 2.962 N/A ARG 96.A N LYS 92.A O no hydrogen 2.909 N/A SER 97.A N ALA 93.A O no hydrogen 2.877 N/A SER 97.A OG ALA 93.A O no hydrogen 3.137 N/A LEU 98.A N ARG 94.A O no hydrogen 2.863 N/A GLU 99.A N LEU 95.A O no hydrogen 2.884 N/A SER 100.A N ARG 96.A O no hydrogen 2.996 N/A SER 100.A OG ARG 96.A O no hydrogen 3.554 N/A SER 100.A OG SER 97.A O no hydrogen 3.136 N/A SER 100.A OG HIS 170.A NE2 no hydrogen 3.100 N/A LEU 101.A N SER 97.A O no hydrogen 2.915 N/A HIS 102.A N LEU 98.A O no hydrogen 2.882 N/A HIS 102.A NE2 GLU 35.A OE2 no hydrogen 3.151 N/A SER 103.A N GLU 99.A O no hydrogen 3.018 N/A PHE 104.A N SER 100.A O no hydrogen 3.125 N/A VAL 105.A N LEU 101.A O no hydrogen 2.823 N/A ALA 106.A N HIS 102.A O no hydrogen 2.774 N/A ALA 107.A N SER 103.A O no hydrogen 3.159 N/A ALA 108.A N PHE 104.A O no hydrogen 2.951 N/A THR 109.A N VAL 105.A O no hydrogen 2.956 N/A THR 109.A OG1 VAL 105.A O no hydrogen 2.788 N/A LYS 110.A N ALA 106.A O no hydrogen 3.160 N/A GLU 111.A N ALA 107.A O no hydrogen 3.147 N/A LEU 112.A N ALA 108.A O no hydrogen 2.868 N/A MET 113.A N THR 109.A O no hydrogen 3.019 N/A TRP 114.A N LYS 110.A O no hydrogen 3.080 N/A LEU 115.A N GLU 111.A O no hydrogen 3.021 N/A ASN 116.A N LEU 112.A O no hydrogen 3.056 N/A GLU 117.A N MET 113.A O no hydrogen 2.951 N/A LYS 118.A N TRP 114.A O no hydrogen 2.835 N/A LYS 118.A NZ GLU 121.A OE1 no hydrogen 3.516 N/A LYS 118.A NZ GLU 121.A OE2 no hydrogen 3.268 N/A LYS 118.A NZ GLU 122.A OE1 no hydrogen 3.202 N/A LYS 118.A NZ GLU 147.A OE1 no hydrogen 2.834 N/A GLU 119.A N LEU 115.A O no hydrogen 2.933 N/A GLU 120.A N ASN 116.A O no hydrogen 3.102 N/A GLU 121.A N GLU 117.A O no hydrogen 3.120 N/A GLU 122.A N LYS 118.A O no hydrogen 2.994 N/A VAL 123.A N GLU 119.A O no hydrogen 2.945 N/A GLY 124.A N GLU 120.A O no hydrogen 3.020 N/A GLY 124.A N GLU 121.A O no hydrogen 2.977 N/A PHE 125.A N GLU 121.A O no hydrogen 3.275 N/A TRP 127.A NE1 GLU 122.A O no hydrogen 2.822 N/A SER 128.A N ASP 126.A OD1 no hydrogen 2.854 N/A SER 128.A OG ASP 126.A OD1 no hydrogen 2.863 N/A ARG 130.A N SER 128.A OG no hydrogen 3.317 N/A ASN 131.A N SER 128.A O no hydrogen 3.100 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.951 N/A ASN 133.A N ASN 131.A OD1 no hydrogen 3.201 N/A MET 134.A N THR 132.A O no hydrogen 3.148 N/A ALA 136.A N ASN 133.A OD1 no hydrogen 2.869 N/A LYS 137.A N ASN 133.A O no hydrogen 3.121 N/A LYS 137.A NZ TRP 127.A O no hydrogen 3.047 N/A LYS 137.A NZ SER 128.A O no hydrogen 2.951 N/A LYS 137.A NZ ASN 131.A O no hydrogen 3.019 N/A LYS 138.A N MET 134.A O no hydrogen 3.037 N/A LYS 138.A NZ LEU 201.A O no hydrogen 3.067 N/A GLU 139.A N THR 135.A O no hydrogen 3.094 N/A SER 140.A N ALA 136.A O no hydrogen 3.036 N/A SER 140.A OG ALA 136.A O no hydrogen 3.118 N/A TYR 141.A N LYS 137.A O no hydrogen 2.972 N/A SER 142.A N LYS 138.A O no hydrogen 2.989 N/A SER 142.A OG LYS 138.A O no hydrogen 3.086 N/A ALA 143.A N GLU 139.A O no hydrogen 3.132 N/A LEU 144.A N SER 140.A O no hydrogen 2.899 N/A MET 145.A N TYR 141.A O no hydrogen 2.844 N/A ARG 146.A N SER 142.A O no hydrogen 2.982 N/A GLU 147.A N ALA 143.A O no hydrogen 3.144 N/A LEU 148.A N LEU 144.A O no hydrogen 2.918 N/A GLU 149.A N MET 145.A O no hydrogen 2.942 N/A LEU 150.A N ARG 146.A O no hydrogen 3.470 N/A LYS 151.A N GLU 147.A O no hydrogen 2.986 N/A LYS 151.A NZ GLU 111.A OE1 no hydrogen 2.899 N/A GLU 152.A N LEU 148.A O no hydrogen 2.790 N/A LYS 153.A N LEU 150.A O no hydrogen 3.102 N/A LYS 154.A NZ GLU 157.A OE1 no hydrogen 3.448 N/A ILE 155.A N LYS 151.A O no hydrogen 2.964 N/A LYS 156.A N GLU 152.A O no hydrogen 2.957 N/A GLU 157.A N LYS 153.A O no hydrogen 2.879 N/A LEU 158.A N LYS 154.A O no hydrogen 2.920 N/A GLN 159.A N ILE 155.A O no hydrogen 2.952 N/A GLN 159.A NE2 GLN 180.A O no hydrogen 3.130 N/A ASN 160.A N LYS 156.A O no hydrogen 3.089 N/A ALA 161.A N GLU 157.A O no hydrogen 3.089 N/A GLY 162.A N LEU 158.A O no hydrogen 2.984 N/A ASP 163.A N GLN 159.A O no hydrogen 2.892 N/A ARG 164.A N ASN 160.A O no hydrogen 2.893 N/A LEU 165.A N ALA 161.A O no hydrogen 3.168 N/A LEU 166.A N GLY 162.A O no hydrogen 3.022 N/A ARG 167.A N ASP 163.A O no hydrogen 2.801 N/A GLU 168.A N ARG 164.A O no hydrogen 2.984 N/A ASP 169.A N LEU 166.A O no hydrogen 2.740 N/A HIS 170.A N LEU 165.A O no hydrogen 2.996 N/A HIS 170.A NE2 SER 97.A O no hydrogen 2.830 N/A HIS 170.A NE2 SER 100.A OG no hydrogen 3.100 N/A ALA 172.A N HIS 170.A ND1 no hydrogen 2.979 N/A ARG 173.A NH2 GLU 177.A OE2 no hydrogen 3.226 N/A THR 175.A OG1 GLY 28.A O no hydrogen 2.590 N/A VAL 176.A N ALA 172.A O no hydrogen 3.174 N/A GLU 177.A N ARG 173.A O no hydrogen 2.826 N/A SER 178.A N PRO 174.A O no hydrogen 3.016 N/A SER 178.A OG THR 175.A O no hydrogen 3.157 N/A PHE 179.A N THR 175.A O no hydrogen 3.181 N/A GLN 180.A N VAL 176.A O no hydrogen 2.948 N/A GLN 180.A NE2 GLN 159.A O no hydrogen 3.175 N/A GLN 180.A NE2 GLN 159.A OE1 no hydrogen 3.441 N/A GLN 180.A NE2 ASP 163.A OD1 no hydrogen 2.985 N/A ALA 181.A N GLU 177.A O no hydrogen 2.905 N/A ALA 182.A N SER 178.A O no hydrogen 2.990 N/A LEU 183.A N PHE 179.A O no hydrogen 3.009 N/A GLN 184.A N GLN 180.A O no hydrogen 3.087 N/A THR 185.A N ALA 181.A O no hydrogen 2.909 N/A THR 185.A OG1 ALA 181.A O no hydrogen 2.973 N/A GLN 186.A N ALA 182.A O no hydrogen 2.995 N/A TRP 187.A N LEU 183.A O no hydrogen 2.938 N/A SER 188.A N GLN 184.A O no hydrogen 2.949 N/A SER 188.A OG GLN 184.A O no hydrogen 3.505 N/A SER 188.A OG THR 185.A O no hydrogen 2.690 N/A TRP 189.A N THR 185.A O no hydrogen 2.977 N/A MET 190.A N GLN 186.A O no hydrogen 2.966 N/A LEU 191.A N TRP 187.A O no hydrogen 2.878 N/A GLN 192.A N SER 188.A O no hydrogen 2.804 N/A LEU 193.A N TRP 189.A O no hydrogen 2.830 N/A CYS 194.A N MET 190.A O no hydrogen 2.980 N/A CYS 194.A SG MET 190.A O no hydrogen 3.433 N/A CYS 195.A N LEU 191.A O no hydrogen 3.121 N/A CYS 195.A SG LEU 191.A O no hydrogen 3.762 N/A CYS 196.A N GLN 192.A O no hydrogen 3.122 N/A CYS 196.A SG GLN 192.A O no hydrogen 3.830 N/A ILE 197.A N LEU 193.A O no hydrogen 2.982 N/A GLU 198.A N CYS 194.A O no hydrogen 2.973 N/A ALA 199.A N CYS 195.A O no hydrogen 3.091 N/A HIS 200.A N ILE 197.A O no hydrogen 2.838 N/A LEU 201.A N GLU 198.A O no hydrogen 3.147 N/A