Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pwz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG HIS 25.A ND1 no hydrogen 3.057 N/A THR 2.A N ASP 73.A OD1 no hydrogen 2.855 N/A THR 2.A OG1 TYR 69.A O no hydrogen 3.065 N/A ALA 3.A N THR 26.A O no hydrogen 2.864 N/A ILE 4.A N VAL 74.A O no hydrogen 2.873 N/A VAL 5.A N ALA 28.A O no hydrogen 3.155 N/A THR 6.A N VAL 76.A O no hydrogen 3.362 N/A THR 6.A OG1 ASN 78.A O no hydrogen 3.338 N/A ASN 7.A N HIS 30.A ND1 no hydrogen 3.090 N/A ASN 7.A ND2 ASN 78.A O no hydrogen 3.051 N/A VAL 8.A N HIS 30.A O no hydrogen 3.021 N/A LYS 9.A N ASP 31.A OD2 no hydrogen 3.189 N/A LYS 9.A NZ SER 33.A OG no hydrogen 2.599 N/A HIS 10.A N ASN 7.A O no hydrogen 2.973 N/A HIS 10.A ND1 SER 182.A OG no hydrogen 2.715 N/A GLY 12.A N ASN 78.A OD1 no hydrogen 2.896 N/A GLY 13.A N HIS 10.A O no hydrogen 2.779 N/A GLY 15.A N GLN 213.A OE1 no hydrogen 3.006 N/A SER 16.A N GLY 12.A O no hydrogen 2.991 N/A SER 16.A OG GLY 12.A O no hydrogen 3.076 N/A ALA 17.A N GLY 13.A O no hydrogen 2.891 N/A LEU 18.A N MET 14.A O no hydrogen 2.857 N/A ARG 19.A N GLY 15.A O no hydrogen 3.183 N/A ARG 19.A NE GLU 218.A OE2 no hydrogen 2.464 N/A ARG 19.A NH1 ARG 19.A O no hydrogen 2.604 N/A LEU 20.A N SER 16.A O no hydrogen 2.967 N/A SER 21.A N ALA 17.A O no hydrogen 2.751 N/A SER 21.A OG GLN 49.A O no hydrogen 2.862 N/A GLU 22.A N LEU 18.A O no hydrogen 2.715 N/A ALA 23.A N ARG 19.A O no hydrogen 3.164 N/A GLY 24.A N SER 21.A O no hydrogen 2.951 N/A HIS 25.A N LEU 20.A O no hydrogen 3.206 N/A THR 26.A N SER 1.A O no hydrogen 3.113 N/A ALA 28.A N ALA 3.A O no hydrogen 2.944 N/A CYS 29.A N LYS 51.A O no hydrogen 2.724 N/A CYS 29.A SG VAL 27.A O no hydrogen 3.575 N/A HIS 30.A N VAL 5.A O no hydrogen 2.978 N/A SER 33.A N ASP 31.A OD1 no hydrogen 2.736 N/A SER 33.A OG ASP 31.A OD1 no hydrogen 2.776 N/A PHE 34.A N ASP 31.A O no hydrogen 3.363 N/A LYS 35.A N GLU 32.A O no hydrogen 3.053 N/A GLN 36.A N SER 33.A O no hydrogen 3.231 N/A GLU 39.A N GLN 36.A O no hydrogen 2.894 N/A LEU 40.A N GLN 36.A O no hydrogen 3.062 N/A GLU 41.A N LYS 37.A O no hydrogen 2.956 N/A ALA 42.A N ASP 38.A O no hydrogen 3.239 N/A PHE 43.A N GLU 39.A O no hydrogen 2.945 N/A ALA 44.A N LEU 40.A O no hydrogen 2.941 N/A GLU 45.A N GLU 41.A O no hydrogen 2.898 N/A THR 46.A N ALA 42.A O no hydrogen 3.034 N/A THR 46.A OG1 ALA 42.A O no hydrogen 3.111 N/A TYR 47.A N PHE 43.A O no hydrogen 2.878 N/A GLN 49.A N GLN 49.A OE1 no hydrogen 2.791 N/A LEU 50.A N TYR 47.A O no hydrogen 3.019 N/A LYS 51.A N VAL 27.A O no hydrogen 2.722 N/A MET 53.A N CYS 29.A O no hydrogen 2.641 N/A GLU 55.A N GLU 55.A OE2 no hydrogen 2.596 N/A LEU 61.A N GLU 57.A O no hydrogen 2.793 N/A ILE 62.A N PRO 58.A O no hydrogen 2.979 N/A GLU 63.A N ALA 59.A O no hydrogen 3.104 N/A ALA 64.A N GLU 60.A O no hydrogen 2.830 N/A VAL 65.A N LEU 61.A O no hydrogen 2.937 N/A THR 66.A N ILE 62.A O no hydrogen 2.845 N/A THR 66.A OG1 ILE 62.A O no hydrogen 2.585 N/A SER 67.A N GLU 63.A O no hydrogen 2.940 N/A SER 67.A OG GLU 63.A O no hydrogen 2.944 N/A ALA 68.A N ALA 64.A O no hydrogen 3.078 N/A TYR 69.A N VAL 65.A O no hydrogen 2.954 N/A GLN 71.A N TYR 69.A O no hydrogen 2.810 N/A GLN 71.A NE2 ASP 73.A OD1 no hydrogen 3.562 N/A GLN 71.A NE2 ASP 73.A OD2 no hydrogen 2.656 N/A VAL 72.A N GLN 117.A OE1 no hydrogen 3.212 N/A ASP 73.A N THR 2.A O no hydrogen 2.881 N/A VAL 74.A N THR 2.A O no hydrogen 3.050 N/A LEU 75.A N HIS 125.A O no hydrogen 2.849 N/A VAL 76.A N ILE 4.A O no hydrogen 2.872 N/A SER 77.A N ILE 127.A O no hydrogen 2.802 N/A SER 77.A OG ASP 79.A OD1 no hydrogen 3.369 N/A SER 77.A OG ASP 79.A OD2 no hydrogen 2.659 N/A ASN 78.A ND2 THR 6.A O no hydrogen 3.201 N/A ASN 78.A ND2 ASN 7.A O no hydrogen 3.000 N/A ASN 78.A ND2 HIS 10.A O no hydrogen 2.765 N/A GLN 86.A N GLU 140.A O no hydrogen 2.813 N/A GLN 86.A NE2 GLU 84.A OE1 no hydrogen 3.280 N/A LYS 90.A N PRO 87.A O no hydrogen 2.772 N/A LYS 90.A NZ ASP 89.A OD2 no hydrogen 3.146 N/A TYR 91.A N ILE 88.A O no hydrogen 3.410 N/A TYR 91.A OH GLU 84.A O no hydrogen 2.648 N/A TYR 91.A OH GLU 140.A O no hydrogen 3.170 N/A ALA 92.A N ASP 95.A OD2 no hydrogen 3.148 N/A ASP 95.A N ALA 92.A O no hydrogen 2.729 N/A TYR 96.A N VAL 93.A O no hydrogen 3.008 N/A TYR 96.A OH SER 146.A OG no hydrogen 2.811 N/A ARG 97.A N VAL 93.A O no hydrogen 3.234 N/A GLY 98.A N GLU 94.A O no hydrogen 2.936 N/A VAL 100.A N TYR 96.A O no hydrogen 2.757 N/A GLU 101.A N ARG 97.A O no hydrogen 2.678 N/A ALA 102.A N GLY 98.A O no hydrogen 3.096 N/A LEU 103.A N ALA 99.A O no hydrogen 2.924 N/A GLN 104.A N VAL 100.A O no hydrogen 2.927 N/A ILE 105.A N VAL 100.A O no hydrogen 2.977 N/A ARG 106.A N GLU 101.A O no hydrogen 3.138 N/A ARG 106.A NH1 GLN 56.A O no hydrogen 3.245 N/A PHE 108.A N GLN 104.A O no hydrogen 3.108 N/A ALA 109.A N ILE 105.A O no hydrogen 2.739 N/A LEU 110.A N ARG 106.A O no hydrogen 3.063 N/A VAL 111.A N PRO 107.A O no hydrogen 3.165 N/A ASN 112.A N PHE 108.A O no hydrogen 2.896 N/A ALA 113.A N LEU 110.A O no hydrogen 3.023 N/A VAL 114.A N LEU 110.A O no hydrogen 3.063 N/A ALA 115.A N VAL 111.A O no hydrogen 2.777 N/A GLN 117.A NE2 THR 66.A OG1 no hydrogen 3.109 N/A MET 118.A N VAL 114.A O no hydrogen 3.340 N/A LYS 119.A N ALA 115.A O no hydrogen 2.970 N/A LYS 120.A N SER 116.A O no hydrogen 3.037 N/A ARG 121.A N GLN 117.A O no hydrogen 3.317 N/A ARG 121.A NE SER 123.A OG no hydrogen 3.382 N/A ARG 121.A NH1 GLN 117.A OE1 no hydrogen 2.942 N/A ARG 121.A NH2 VAL 72.A O no hydrogen 3.146 N/A ARG 121.A NH2 SER 123.A O no hydrogen 2.721 N/A LYS 122.A N MET 118.A O no hydrogen 2.659 N/A SER 123.A N MET 118.A O no hydrogen 3.181 N/A HIS 125.A N ASP 73.A O no hydrogen 2.737 N/A HIS 125.A NE2 ASP 229.A OD1 no hydrogen 2.579 N/A ILE 126.A N PRO 168.A O no hydrogen 3.112 N/A ILE 127.A N LEU 75.A O no hydrogen 2.784 N/A PHE 128.A N PHE 170.A O no hydrogen 2.851 N/A ILE 129.A N SER 77.A O no hydrogen 3.014 N/A THR 130.A N ILE 172.A O no hydrogen 3.069 N/A SER 131.A OG THR 133.A OG1 no hydrogen 2.832 N/A ALA 132.A N PRO 174.A O no hydrogen 2.991 N/A THR 133.A N SER 131.A OG no hydrogen 3.063 N/A THR 133.A OG1 SER 131.A OG no hydrogen 2.832 N/A PHE 135.A N ALA 132.A O no hydrogen 3.024 N/A THR 145.A N LEU 141.A O no hydrogen 3.037 N/A THR 145.A OG1 LEU 141.A O no hydrogen 2.851 N/A SER 146.A N SER 142.A O no hydrogen 3.382 N/A SER 146.A OG TYR 96.A OH no hydrogen 2.811 N/A SER 146.A OG SER 142.A O no hydrogen 2.662 N/A SER 146.A OG THR 143.A O no hydrogen 3.291 N/A ALA 147.A N THR 143.A O no hydrogen 3.072 N/A ARG 148.A N TYR 144.A O no hydrogen 3.282 N/A ARG 148.A NE TYR 144.A OH no hydrogen 2.889 N/A ARG 148.A NH1 ASP 79.A O no hydrogen 3.155 N/A ARG 148.A NH2 ASP 79.A O no hydrogen 3.188 N/A ARG 148.A NH2 TYR 144.A OH no hydrogen 2.825 N/A ALA 149.A N THR 145.A O no hydrogen 3.218 N/A GLY 150.A N SER 146.A O no hydrogen 3.183 N/A ALA 151.A N ALA 147.A O no hydrogen 3.180 N/A CYS 152.A N ARG 148.A O no hydrogen 2.977 N/A CYS 152.A SG THR 130.A OG1 no hydrogen 3.277 N/A CYS 152.A SG ARG 148.A O no hydrogen 3.637 N/A THR 153.A N ALA 149.A O no hydrogen 3.040 N/A THR 153.A OG1 ALA 149.A O no hydrogen 3.371 N/A LEU 154.A N GLY 150.A O no hydrogen 2.837 N/A ALA 155.A N ALA 151.A O no hydrogen 3.004 N/A ASN 156.A N CYS 152.A O no hydrogen 3.128 N/A ASN 156.A ND2 GLY 233.A O no hydrogen 2.852 N/A ALA 157.A N THR 153.A O no hydrogen 2.877 N/A LEU 158.A N LEU 154.A O no hydrogen 2.867 N/A SER 159.A N ALA 155.A O no hydrogen 2.897 N/A SER 159.A OG ASN 156.A O no hydrogen 2.550 N/A LYS 160.A N ALA 157.A O no hydrogen 3.120 N/A LEU 162.A N LEU 158.A O no hydrogen 3.029 N/A GLY 163.A N SER 159.A O no hydrogen 3.235 N/A TYR 165.A N LEU 162.A O no hydrogen 2.866 N/A ASN 166.A N GLY 163.A O no hydrogen 3.005 N/A ASN 166.A ND2 LYS 122.A O no hydrogen 3.688 N/A ILE 167.A N LEU 162.A O no hydrogen 3.196 N/A VAL 169.A N THR 232.A OG1 no hydrogen 3.218 N/A PHE 170.A N ILE 126.A O no hydrogen 2.850 N/A ALA 171.A N GLN 234.A O no hydrogen 3.155 N/A ILE 172.A N PHE 128.A O no hydrogen 2.843 N/A GLY 173.A N PHE 236.A O no hydrogen 2.600 N/A ASN 175.A N LEU 238.A O no hydrogen 2.911 N/A TYR 176.A OH HIS 200.A NE2 no hydrogen 2.792 N/A HIS 178.A N GLY 211.A O no hydrogen 2.843 N/A HIS 178.A NE2 THR 188.A OG1 no hydrogen 2.615 N/A SER 179.A N TYR 186.A O no hydrogen 2.856 N/A SER 179.A OG SER 182.A O no hydrogen 2.784 N/A SER 182.A N SER 179.A O no hydrogen 2.780 N/A SER 182.A OG HIS 10.A ND1 no hydrogen 2.715 N/A TYR 184.A N SER 182.A OG no hydrogen 3.263 N/A TYR 186.A N SER 179.A OG no hydrogen 2.835 N/A TYR 186.A OH ASN 175.A OD1 no hydrogen 3.117 N/A THR 188.A N GLU 180.A O no hydrogen 2.848 N/A THR 188.A OG1 HIS 178.A NE2 no hydrogen 2.615 N/A THR 188.A OG1 GLU 180.A O no hydrogen 3.335 N/A LYS 192.A N THR 188.A O no hydrogen 2.830 N/A THR 193.A N PRO 190.A O no hydrogen 3.209 N/A THR 193.A OG1 GLU 189.A OE1 no hydrogen 2.717 N/A ASN 194.A N PRO 190.A O no hydrogen 2.827 N/A ASN 194.A ND2 GLU 196.A OE2 no hydrogen 2.733 N/A HIS 197.A ND1 ASN 194.A OD1 no hydrogen 3.074 N/A VAL 198.A N ASN 194.A O no hydrogen 2.849 N/A ALA 199.A N PRO 195.A O no hydrogen 3.007 N/A HIS 200.A N GLU 196.A O no hydrogen 3.068 N/A HIS 200.A NE2 TYR 176.A OH no hydrogen 2.792 N/A VAL 201.A N HIS 197.A O no hydrogen 3.082 N/A LYS 202.A N VAL 198.A O no hydrogen 3.086 N/A LYS 203.A N ALA 199.A O no hydrogen 3.020 N/A LYS 203.A N HIS 200.A O no hydrogen 2.685 N/A LYS 203.A NZ GLU 246.A OE2 no hydrogen 3.169 N/A VAL 204.A N HIS 200.A O no hydrogen 2.990 N/A THR 205.A OG1 VAL 201.A O no hydrogen 2.850 N/A LEU 207.A N GLY 240.A O no hydrogen 3.059 N/A GLN 208.A N THR 205.A O no hydrogen 3.167 N/A GLN 208.A NE2 LYS 202.A O no hydrogen 3.299 N/A ARG 209.A N THR 205.A OG1 no hydrogen 3.124 N/A ARG 209.A NH1 LEU 210.A O no hydrogen 2.843 N/A ARG 209.A NH1 GLU 215.A OE2 no hydrogen 2.906 N/A ARG 209.A NH2 GLU 215.A OE1 no hydrogen 3.189 N/A ARG 209.A NH2 GLU 215.A OE2 no hydrogen 3.326 N/A GLY 211.A N TYR 176.A O no hydrogen 2.539 N/A THR 212.A N GLU 215.A OE2 no hydrogen 3.063 N/A THR 212.A OG1 GLU 215.A OE2 no hydrogen 2.951 N/A GLN 213.A NE2 PHE 11.A O no hydrogen 2.766 N/A GLN 213.A NE2 HIS 178.A O no hydrogen 2.864 N/A GLU 215.A N THR 212.A O no hydrogen 3.228 N/A GLU 215.A N THR 212.A OG1 no hydrogen 3.370 N/A LEU 216.A N THR 212.A O no hydrogen 3.416 N/A GLY 217.A N GLN 213.A O no hydrogen 2.978 N/A GLU 218.A N LYS 214.A O no hydrogen 2.917 N/A LEU 219.A N GLU 215.A O no hydrogen 3.069 N/A VAL 220.A N LEU 216.A O no hydrogen 3.025 N/A ALA 221.A N GLY 217.A O no hydrogen 2.931 N/A PHE 222.A N GLU 218.A O no hydrogen 2.823 N/A LEU 223.A N LEU 219.A O no hydrogen 2.954 N/A ALA 224.A N VAL 220.A O no hydrogen 3.076 N/A SER 225.A N PHE 222.A O no hydrogen 3.228 N/A SER 225.A OG PHE 222.A O no hydrogen 2.782 N/A SER 225.A OG SER 227.A OG no hydrogen 3.010 N/A SER 227.A N SER 225.A OG no hydrogen 3.068 N/A SER 227.A OG SER 225.A OG no hydrogen 3.010 N/A LEU 231.A N CYS 228.A O no hydrogen 3.309 N/A THR 232.A N ASP 229.A O no hydrogen 3.016 N/A GLY 233.A N VAL 169.A O no hydrogen 2.853 N/A GLN 234.A N LEU 231.A O no hydrogen 3.030 N/A GLN 234.A NE2 VAL 235.A O no hydrogen 3.027 N/A PHE 236.A N ALA 171.A O no hydrogen 2.663 N/A LEU 238.A N GLY 173.A O no hydrogen 2.862 N/A PHE 242.A N ALA 239.A O no hydrogen 2.852 N/A MET 244.A N VAL 204.A O no hydrogen 3.173 N/A ARG 247.A NH2 PRO 252.A O no hydrogen 2.910 N/A MET 251.A N TRP 248.A O no hydrogen 3.127 N/A