Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wkm_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N SER 25.A O no hydrogen 3.115 N/A GLN 5.A N THR 23.A O no hydrogen 2.842 N/A GLN 6.A NE2 TYR 94.A O no hydrogen 2.803 N/A SER 7.A N SER 21.A O no hydrogen 3.160 N/A GLU 10.A N SER 118.A O no hydrogen 2.817 N/A VAL 12.A N SER 120.A O no hydrogen 2.959 N/A GLY 15.A N LEU 86.A O no hydrogen 2.845 N/A ALA 16.A N LYS 13.A O no hydrogen 3.329 N/A VAL 18.A N LEU 83.A O no hydrogen 3.026 N/A LEU 20.A N LEU 81.A O no hydrogen 2.833 N/A SER 21.A N SER 7.A OG no hydrogen 3.161 N/A CYS 22.A N ALA 79.A O no hydrogen 2.797 N/A THR 23.A N GLN 5.A O no hydrogen 2.848 N/A THR 23.A OG1 THR 78.A OG1 no hydrogen 3.285 N/A ALA 24.A N ASN 77.A O no hydrogen 2.931 N/A SER 25.A N GLN 3.A O no hydrogen 2.848 N/A ILE 29.A N ASN 77.A OD1 no hydrogen 3.170 N/A ASP 31.A N ASN 28.A O no hydrogen 3.001 N/A THR 32.A N ILE 29.A O no hydrogen 2.773 N/A TYR 33.A N THR 32.A OG1 no hydrogen 2.534 N/A LEU 34.A N ILE 51.A O no hydrogen 3.194 N/A HIS 35.A N SER 97.A O no hydrogen 2.796 N/A TRP 36.A N GLY 49.A O no hydrogen 2.838 N/A VAL 37.A N TYR 95.A O no hydrogen 2.831 N/A LYS 38.A N GLU 46.A O no hydrogen 2.615 N/A LYS 38.A NZ GLU 89.A O no hydrogen 2.468 N/A GLN 39.A N VAL 93.A O no hydrogen 2.925 N/A GLN 39.A NE2 HIS 43.A O no hydrogen 3.283 N/A HIS 43.A N ARG 40.A O no hydrogen 2.931 N/A HIS 43.A ND1 PRO 41.A O no hydrogen 2.615 N/A GLU 46.A N LYS 38.A O no hydrogen 2.764 N/A TRP 47.A NE1 HIS 35.A ND1 no hydrogen 3.095 N/A ILE 48.A N TRP 36.A O no hydrogen 2.812 N/A GLY 49.A N TRP 36.A O no hydrogen 3.441 N/A ARG 50.A N LYS 59.A O no hydrogen 2.923 N/A ILE 51.A N LEU 34.A O no hydrogen 2.865 N/A ASP 52.A N ASN 57.A O no hydrogen 2.924 N/A ALA 54.A N ASP 52.A OD1 no hydrogen 2.830 N/A ASN 55.A N ASP 52.A O no hydrogen 3.363 N/A ASN 57.A N ASN 55.A OD1 no hydrogen 2.892 N/A LYS 59.A N ARG 50.A O no hydrogen 2.938 N/A ASP 61.A N ILE 48.A O no hydrogen 2.990 N/A LYS 63.A N ASP 61.A OD1 no hydrogen 3.035 N/A LYS 63.A NZ GLU 46.A OE1 no hydrogen 3.171 N/A PHE 64.A N ASP 61.A O no hydrogen 2.532 N/A GLN 65.A N ASP 61.A O no hydrogen 3.059 N/A LYS 67.A N PHE 64.A O no hydrogen 2.875 N/A LYS 67.A NZ ASN 84.A O no hydrogen 3.439 N/A LYS 67.A NZ ASP 90.A OD1 no hydrogen 3.167 N/A LYS 67.A NZ ASP 90.A OD2 no hydrogen 2.696 N/A ALA 68.A N PHE 64.A O no hydrogen 2.931 N/A THR 69.A N GLN 82.A O no hydrogen 2.733 N/A ILE 70.A N TYR 60.A OH no hydrogen 2.776 N/A THR 71.A N TYR 80.A O no hydrogen 3.281 N/A ASP 73.A N THR 78.A O no hydrogen 2.630 N/A SER 75.A OG ASP 73.A OD1 no hydrogen 2.748 N/A SER 76.A OG THR 78.A OG1 no hydrogen 3.225 N/A ASN 77.A N THR 74.A O no hydrogen 3.092 N/A ASN 77.A ND2 ALA 24.A O no hydrogen 2.610 N/A ASN 77.A ND2 PHE 27.A O no hydrogen 2.815 N/A THR 78.A N ASP 73.A O no hydrogen 2.899 N/A THR 78.A OG1 THR 23.A OG1 no hydrogen 3.285 N/A THR 78.A OG1 SER 76.A O no hydrogen 2.557 N/A THR 78.A OG1 SER 76.A OG no hydrogen 3.225 N/A ALA 79.A N CYS 22.A O no hydrogen 2.860 N/A TYR 80.A N THR 71.A O no hydrogen 2.786 N/A LEU 81.A N LEU 20.A O no hydrogen 2.828 N/A GLN 82.A N THR 69.A O no hydrogen 2.764 N/A LEU 83.A N VAL 18.A O no hydrogen 3.028 N/A ASN 84.A N LYS 67.A O no hydrogen 3.053 N/A ASN 84.A ND2 ASP 66.A O no hydrogen 3.302 N/A LEU 86.A N ALA 16.A O no hydrogen 3.110 N/A THR 87.A N ASP 90.A OD2 no hydrogen 2.971 N/A GLU 89.A N THR 87.A OG1 no hydrogen 3.369 N/A ASP 90.A N THR 87.A O no hydrogen 3.244 N/A THR 91.A N SER 88.A O no hydrogen 3.334 N/A THR 91.A OG1 SER 88.A O no hydrogen 3.483 N/A ALA 92.A N VAL 119.A O no hydrogen 2.978 N/A VAL 93.A N GLN 39.A O no hydrogen 2.915 N/A TYR 94.A N THR 117.A O no hydrogen 2.788 N/A TYR 94.A OH ASP 90.A O no hydrogen 2.671 N/A TYR 95.A N VAL 37.A O no hydrogen 2.883 N/A CYS 96.A N.A GLN 6.A OE1 no hydrogen 2.996 N/A CYS 96.A N.B GLN 6.A OE1 no hydrogen 2.989 N/A SER 97.A N HIS 35.A O no hydrogen 2.971 N/A SER 97.A OG TYR 112.A O no hydrogen 2.766 N/A ASN 98.A N TYR 112.A O no hydrogen 2.946 N/A ASN 98.A ND2 THR 32.A OG1 no hydrogen 2.831 N/A ASN 98.A ND2 TYR 33.A O no hydrogen 2.607 N/A GLN 100.A N MET 110.A O no hydrogen 2.697 N/A GLN 100.A NE2 ASN 98.A OD1 no hydrogen 2.893 N/A GLY 102.A N TYR 108.A O no hydrogen 2.931 N/A TYR 106.A N LEU 103.A O no hydrogen 2.923 N/A MET 110.A N GLN 100.A O no hydrogen 2.730 N/A TYR 112.A N ASN 98.A O no hydrogen 2.934 N/A TRP 113.A NE1 ASP 111.A OD1 no hydrogen 2.972 N/A GLY 114.A N CYS 96.A O.A no hydrogen 2.944 N/A GLY 114.A N CYS 96.A O.B no hydrogen 2.902 N/A GLN 115.A N GLN 115.A OE1 no hydrogen 2.779 N/A GLN 115.A NE2 GLN 5.A OE1 no hydrogen 2.928 N/A GLY 116.A N GLN 6.A OE1 no hydrogen 3.083 N/A THR 117.A N TYR 94.A O no hydrogen 2.797 N/A THR 117.A OG1 SER 7.A O no hydrogen 2.876 N/A VAL 119.A N ALA 92.A O no hydrogen 2.816 N/A SER 120.A N GLU 10.A O no hydrogen 2.948 N/A SER 120.A OG GLU 152.A O no hydrogen 3.429 N/A VAL 121.A N THR 91.A OG1 no hydrogen 2.893 N/A SER 122.A N VAL 12.A O no hydrogen 2.792 N/A ALA 124.A N SER 122.A OG no hydrogen 2.803 N/A THR 127.A N PHE 150.A O no hydrogen 3.060 N/A THR 127.A OG1 PRO 128.A O no hydrogen 3.314 N/A THR 127.A OG1 GLY 148.A O no hydrogen 3.386 N/A SER 130.A N LYS 147.A O no hydrogen 2.846 N/A TYR 132.A N LEU 145.A O no hydrogen 2.886 N/A LEU 134.A N GLY 143.A O no hydrogen 3.039 N/A VAL 140.A N VAL 187.A O no hydrogen 2.963 N/A THR 141.A OG1 THR 186.A OG1 no hydrogen 3.298 N/A LEU 142.A N VAL 185.A O no hydrogen 2.765 N/A GLY 143.A N LEU 134.A O no hydrogen 3.072 N/A CYS 144.A N SER 183.A O no hydrogen 2.876 N/A LEU 145.A N TYR 132.A O no hydrogen 2.769 N/A VAL 146.A N LEU 181.A O no hydrogen 2.843 N/A LYS 147.A N SER 130.A O no hydrogen 2.823 N/A TYR 149.A N TYR 179.A O no hydrogen 3.120 N/A TYR 149.A OH GLU 152.A OE2 no hydrogen 2.941 N/A PHE 150.A N THR 127.A O no hydrogen 3.018 N/A THR 155.A N ALA 202.A O no hydrogen 2.893 N/A THR 157.A N ASN 200.A O no hydrogen 2.929 N/A THR 157.A OG1 ASN 200.A OD1 no hydrogen 2.805 N/A TRP 158.A NE1 SER 183.A OG no hydrogen 3.072 N/A ASN 159.A N THR 198.A O no hydrogen 2.758 N/A ASN 159.A ND2 THR 196.A O no hydrogen 3.063 N/A SER 160.A N ASN 200.A OD1 no hydrogen 2.864 N/A GLY 161.A N TRP 158.A O no hydrogen 2.980 N/A SER 162.A N ASN 159.A O no hydrogen 2.941 N/A SER 162.A OG ASN 159.A O no hydrogen 2.661 N/A LEU 163.A N TRP 158.A O no hydrogen 3.259 N/A HIS 168.A N SER 184.A O no hydrogen 2.836 N/A THR 169.A OG1 SER 183.A OG no hydrogen 2.716 N/A PHE 170.A N SER 182.A O no hydrogen 3.019 N/A VAL 173.A N THR 180.A O no hydrogen 2.736 N/A GLN 175.A N LEU 178.A O no hydrogen 2.925 N/A LEU 178.A N GLN 175.A O no hydrogen 3.147 N/A TYR 179.A N TYR 149.A O no hydrogen 2.747 N/A THR 180.A N VAL 173.A O no hydrogen 2.914 N/A LEU 181.A N VAL 146.A O no hydrogen 3.026 N/A SER 183.A N CYS 144.A O no hydrogen 2.944 N/A SER 183.A OG HIS 168.A O no hydrogen 3.214 N/A SER 183.A OG THR 169.A OG1 no hydrogen 2.716 N/A SER 184.A N HIS 168.A O no hydrogen 2.749 N/A VAL 185.A N LEU 142.A O no hydrogen 2.658 N/A THR 186.A N GLY 166.A O no hydrogen 2.963 N/A THR 186.A OG1 THR 141.A OG1 no hydrogen 3.298 N/A VAL 187.A N VAL 140.A O no hydrogen 3.085 N/A SER 189.A N SER 138.A O no hydrogen 2.713 N/A SER 189.A OG SER 138.A O no hydrogen 2.816 N/A THR 191.A N PRO 188.A O no hydrogen 2.812 N/A THR 191.A OG1 PRO 188.A O no hydrogen 2.624 N/A TRP 192.A NE1 ILE 214.A O no hydrogen 3.231 N/A SER 194.A N THR 191.A O no hydrogen 3.340 N/A SER 194.A OG SER 190.A O no hydrogen 2.780 N/A GLU 195.A N THR 191.A O no hydrogen 2.727 N/A THR 198.A N ASN 159.A OD1 no hydrogen 2.752 N/A THR 198.A OG1 THR 196.A OG1 no hydrogen 3.057 N/A CYS 199.A N LYS 212.A O no hydrogen 3.001 N/A CYS 199.A SG LYS 212.A O no hydrogen 3.448 N/A ASN 200.A N THR 157.A O no hydrogen 2.703 N/A ASN 200.A ND2 ASP 211.A OD1 no hydrogen 2.801 N/A VAL 201.A N VAL 210.A O no hydrogen 2.991 N/A ALA 202.A N THR 155.A O no hydrogen 2.979 N/A HIS 203.A N THR 208.A O no hydrogen 2.985 N/A HIS 203.A ND1 SER 206.A OG no hydrogen 2.763 N/A HIS 203.A NE2 PRO 151.A O no hydrogen 2.591 N/A SER 206.A OG HIS 203.A ND1 no hydrogen 2.763 N/A SER 206.A OG THR 208.A OG1 no hydrogen 2.554 N/A SER 207.A N PRO 204.A O no hydrogen 2.784 N/A THR 208.A N HIS 203.A O no hydrogen 3.220 N/A THR 208.A OG1 SER 206.A O no hydrogen 3.266 N/A THR 208.A OG1 SER 206.A OG no hydrogen 2.554 N/A LYS 212.A N CYS 199.A O no hydrogen 3.017 N/A ILE 214.A N VAL 197.A O no hydrogen 2.880 N/A