Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wak_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N GLU 22.A O no hydrogen 3.068 N/A TYR 4.A N GLU 22.A O no hydrogen 3.342 N/A LEU 5.A N HIS 55.A O no hydrogen 2.948 N/A VAL 6.A N PHE 24.A O no hydrogen 2.857 N/A ILE 7.A N ILE 57.A O no hydrogen 2.730 N/A ALA 8.A N HIS 26.A O no hydrogen 2.947 N/A CYS 9.A SG ASN 28.A O no hydrogen 3.969 N/A CYS 9.A SG HIS 61.A NE2 no hydrogen 3.593 N/A SER 10.A N ASN 28.A O no hydrogen 2.997 N/A LEU 19.A N PRO 15.A O no hydrogen 2.792 N/A THR 20.A N ALA 16.A O no hydrogen 3.241 N/A THR 20.A OG1 ALA 16.A O no hydrogen 3.347 N/A PHE 24.A N TYR 4.A O no hydrogen 3.000 N/A HIS 26.A N VAL 6.A O no hydrogen 2.971 N/A ARG 27.A NH1 CYS 9.A O no hydrogen 2.476 N/A ARG 27.A NH1 ASP 11.A O no hydrogen 3.186 N/A ASN 28.A N ALA 8.A O no hydrogen 2.999 N/A ASN 28.A ND2 HIS 26.A NE2 no hydrogen 3.053 N/A ASN 28.A ND2 GLN 32.A O no hydrogen 2.802 N/A ASN 31.A N ASN 28.A O no hydrogen 3.116 N/A ASN 31.A ND2 ASN 31.A O no hydrogen 2.919 N/A GLN 32.A N ASN 28.A OD1 no hydrogen 2.814 N/A GLN 32.A NE2 TRP 82.A O no hydrogen 3.166 N/A VAL 33.A N GLN 117.A OE1 no hydrogen 2.863 N/A ASP 37.A N ILE 34.A O no hydrogen 3.074 N/A ASN 39.A N ASP 37.A OD1 no hydrogen 3.111 N/A CYS 40.A N ASP 37.A OD2 no hydrogen 3.208 N/A CYS 40.A SG GLN 32.A O no hydrogen 3.908 N/A LEU 41.A N ASP 37.A O no hydrogen 3.037 N/A SER 42.A N PHE 38.A O no hydrogen 2.968 N/A SER 42.A OG PHE 38.A O no hydrogen 2.642 N/A VAL 43.A N ASN 39.A O no hydrogen 3.229 N/A VAL 44.A N CYS 40.A O no hydrogen 3.005 N/A GLN 45.A N LEU 41.A O no hydrogen 2.761 N/A GLN 45.A NE2 ASP 49.A OD2 no hydrogen 2.835 N/A TYR 46.A N SER 42.A O no hydrogen 3.076 N/A ALA 47.A N VAL 43.A O no hydrogen 2.913 N/A VAL 48.A N VAL 44.A O no hydrogen 3.040 N/A ASP 49.A N GLN 45.A O no hydrogen 3.002 N/A VAL 50.A N TYR 46.A O no hydrogen 2.930 N/A LEU 51.A N TYR 46.A O no hydrogen 2.991 N/A LYS 52.A NZ GLN 135.A OE1 no hydrogen 3.076 N/A ILE 53.A N ALA 47.A O no hydrogen 2.908 N/A ILE 56.A N SER 138.A O no hydrogen 2.978 N/A ILE 57.A N LEU 5.A O no hydrogen 2.720 N/A ILE 58.A N HIS 140.A O no hydrogen 2.761 N/A CYS 59.A N ILE 7.A O no hydrogen 2.851 N/A CYS 59.A SG GLY 60.A O no hydrogen 3.542 N/A GLY 60.A N TRP 142.A O no hydrogen 2.951 N/A THR 62.A N TYR 144.A O no hydrogen 3.282 N/A THR 62.A OG1 ASP 145.A OD1 no hydrogen 2.685 N/A CYS 64.A SG ASP 11.A OD2 no hydrogen 3.249 N/A CYS 64.A SG HIS 61.A NE2 no hydrogen 3.483 N/A HIS 68.A N CYS 64.A O no hydrogen 3.019 N/A ALA 69.A N GLY 65.A O no hydrogen 2.862 N/A ALA 70.A N GLY 66.A O no hydrogen 2.947 N/A MET 71.A N ILE 67.A O no hydrogen 3.121 N/A ALA 72.A N HIS 68.A O no hydrogen 3.024 N/A ASN 80.A N GLY 77.A O no hydrogen 2.784 N/A ASN 80.A ND2 LYS 74.A O no hydrogen 2.644 N/A ASN 81.A N LEU 78.A O no hydrogen 2.810 N/A ASN 81.A ND2 LEU 78.A O no hydrogen 3.045 N/A TRP 82.A NE1 VAL 29.A O no hydrogen 2.785 N/A LEU 83.A N ILE 79.A O no hydrogen 2.969 N/A LEU 84.A N ASN 81.A O no hydrogen 3.307 N/A ILE 86.A N LEU 83.A O no hydrogen 2.943 N/A ARG 87.A N LEU 83.A O no hydrogen 3.065 N/A ARG 87.A NH1 ALA 70.A O no hydrogen 2.764 N/A ASP 88.A N LEU 84.A O no hydrogen 2.943 N/A ILE 89.A N HIS 85.A O no hydrogen 3.335 N/A TRP 90.A N ILE 86.A O no hydrogen 2.890 N/A PHE 91.A N ARG 87.A O no hydrogen 3.012 N/A LYS 92.A N ASP 88.A O no hydrogen 2.965 N/A LYS 92.A NZ GLU 116.A OE1 no hydrogen 3.075 N/A LYS 92.A NZ GLU 116.A OE2 no hydrogen 3.438 N/A LYS 92.A NZ TYR 168.A OH no hydrogen 3.150 N/A HIS 93.A N ILE 89.A O no hydrogen 3.257 N/A HIS 93.A N TRP 90.A O no hydrogen 2.838 N/A HIS 93.A NE2 GLU 116.A OE2 no hydrogen 2.865 N/A GLY 94.A N PHE 91.A O no hydrogen 2.961 N/A LEU 97.A N HIS 93.A O no hydrogen 3.049 N/A GLY 98.A N GLY 94.A O no hydrogen 2.862 N/A LYS 99.A N HIS 95.A O no hydrogen 3.208 N/A LEU 100.A N LEU 97.A O no hydrogen 3.222 N/A SER 101.A OG GLU 103.A OE2 no hydrogen 2.340 N/A LYS 104.A N SER 101.A O no hydrogen 2.713 N/A ARG 105.A N PRO 102.A O no hydrogen 3.423 N/A ARG 105.A NE LEU 100.A O no hydrogen 2.916 N/A ARG 105.A NH2 LEU 100.A O no hydrogen 3.078 N/A MET 108.A N LYS 104.A O no hydrogen 3.331 N/A LEU 109.A N ARG 105.A O no hydrogen 2.832 N/A THR 110.A N ALA 106.A O no hydrogen 2.937 N/A THR 110.A OG1 ALA 106.A O no hydrogen 3.015 N/A LYS 111.A N ASP 107.A O no hydrogen 3.317 N/A ILE 112.A N MET 108.A O no hydrogen 2.825 N/A ASN 113.A N LEU 109.A O no hydrogen 2.762 N/A ASN 113.A ND2 ALA 30.A O no hydrogen 3.192 N/A VAL 114.A N THR 110.A O no hydrogen 3.286 N/A ALA 115.A N LYS 111.A O no hydrogen 3.328 N/A GLU 116.A N ILE 112.A O no hydrogen 2.976 N/A GLN 117.A N ASN 113.A O no hydrogen 2.873 N/A GLN 117.A NE2 ASN 113.A OD1 no hydrogen 2.970 N/A VAL 118.A N VAL 114.A O no hydrogen 3.071 N/A TYR 119.A N ALA 115.A O no hydrogen 2.971 N/A TYR 119.A OH GLU 165.A OE2 no hydrogen 2.205 N/A ASN 120.A N GLU 116.A O no hydrogen 2.897 N/A ASN 120.A ND2 VAL 33.A O no hydrogen 2.853 N/A ASN 120.A ND2 GLN 117.A OE1 no hydrogen 3.367 N/A LEU 121.A N GLN 117.A O no hydrogen 2.821 N/A GLY 122.A N VAL 118.A O no hydrogen 2.728 N/A ARG 123.A N TYR 119.A O no hydrogen 3.127 N/A ARG 123.A N ASN 120.A O no hydrogen 3.134 N/A THR 124.A N LEU 121.A O no hydrogen 3.021 N/A THR 124.A OG1 LEU 121.A O no hydrogen 2.786 N/A VAL 127.A N THR 124.A OG1 no hydrogen 3.178 N/A LYS 128.A N THR 124.A O no hydrogen 3.003 N/A SER 129.A N SER 125.A O no hydrogen 2.871 N/A SER 129.A OG SER 125.A O no hydrogen 2.779 N/A ALA 130.A N ILE 126.A O no hydrogen 3.199 N/A TRP 131.A N VAL 127.A O no hydrogen 2.926 N/A TRP 131.A NE1 LEU 137.A O no hydrogen 2.741 N/A GLU 132.A N LYS 128.A O no hydrogen 2.776 N/A ARG 133.A N SER 129.A O no hydrogen 2.882 N/A ARG 133.A NH2 ASP 49.A OD1 no hydrogen 2.905 N/A ARG 133.A NH2 GLN 135.A OE1 no hydrogen 3.374 N/A GLY 134.A N TRP 131.A O no hydrogen 2.954 N/A GLN 135.A N ALA 130.A O no hydrogen 2.999 N/A GLN 135.A NE2 VAL 48.A O no hydrogen 2.909 N/A LYS 136.A NZ GLU 54.A OE2 no hydrogen 3.174 N/A SER 138.A N GLU 54.A O no hydrogen 2.829 N/A SER 138.A OG HIS 55.A ND1 no hydrogen 2.895 N/A SER 138.A OG HIS 140.A NE2 no hydrogen 3.061 N/A LEU 139.A N ALA 158.A O no hydrogen 2.883 N/A HIS 140.A N ILE 56.A O no hydrogen 2.857 N/A HIS 140.A NE2 SER 138.A OG no hydrogen 3.061 N/A GLY 141.A N VAL 156.A O no hydrogen 3.197 N/A TRP 142.A N ILE 58.A O no hydrogen 2.834 N/A VAL 143.A N VAL 152.A O no hydrogen 3.029 N/A TYR 144.A N GLY 60.A O no hydrogen 2.905 N/A ASP 145.A N PHE 150.A O no hydrogen 2.874 N/A VAL 146.A N THR 62.A OG1 no hydrogen 3.340 N/A ASN 147.A N ASP 145.A OD1 no hydrogen 2.985 N/A ASP 148.A N ASP 145.A O no hydrogen 3.343 N/A GLN 154.A N GLY 141.A O no hydrogen 3.062 N/A GLN 154.A NE2 VAL 152.A O no hydrogen 2.680 N/A GLY 155.A N ASP 153.A OD1 no hydrogen 2.476 N/A ALA 158.A N LEU 139.A O no hydrogen 3.140 N/A THR 159.A N THR 163.A OG1 no hydrogen 3.195 N/A SER 160.A OG THR 163.A OG1 no hydrogen 2.385 N/A ARG 161.A NH1 GLU 165.A OE2 no hydrogen 2.516 N/A THR 163.A N SER 160.A OG no hydrogen 3.174 N/A THR 163.A OG1 SER 160.A O no hydrogen 2.873 N/A THR 163.A OG1 SER 160.A OG no hydrogen 2.385 N/A LEU 164.A N SER 160.A O no hydrogen 2.960 N/A GLU 165.A N ARG 161.A O no hydrogen 3.046 N/A ILE 166.A N GLU 162.A O no hydrogen 3.157 N/A SER 167.A N THR 163.A O no hydrogen 2.906 N/A SER 167.A OG MET 157.A O no hydrogen 2.599 N/A SER 167.A OG THR 163.A O no hydrogen 3.023 N/A TYR 168.A N LEU 164.A O no hydrogen 2.966 N/A TYR 168.A OH GLU 116.A OE2 no hydrogen 2.508 N/A ARG 169.A N GLU 165.A O no hydrogen 2.884 N/A ASN 170.A N ILE 166.A O no hydrogen 2.810 N/A ALA 171.A N SER 167.A O no hydrogen 2.807 N/A ILE 172.A N TYR 168.A O no hydrogen 3.268 N/A ALA 173.A N ARG 169.A O no hydrogen 3.262 N/A ARG 174.A N ASN 170.A O no hydrogen 2.801 N/A ARG 174.A NH1 GLN 154.A O no hydrogen 3.283 N/A LEU 175.A N ALA 171.A O no hydrogen 3.090 N/A SER 176.A N ILE 172.A O no hydrogen 3.101 N/A SER 176.A OG ILE 172.A O no hydrogen 2.465 N/A ILE 177.A N ARG 174.A O no hydrogen 3.411 N/A