Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pwx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 73.A OD1 no hydrogen 2.941 N/A THR 2.A OG1 TYR 69.A O no hydrogen 3.157 N/A ALA 3.A N THR 26.A O no hydrogen 2.904 N/A ILE 4.A N VAL 74.A O no hydrogen 2.757 N/A VAL 5.A N ALA 28.A O no hydrogen 3.196 N/A THR 6.A N VAL 76.A O no hydrogen 3.336 N/A ASN 7.A N HIS 30.A ND1 no hydrogen 2.990 N/A ASN 7.A ND2 ASN 78.A O no hydrogen 3.131 N/A VAL 8.A N HIS 30.A O no hydrogen 3.210 N/A LYS 9.A NZ SER 33.A OG no hydrogen 3.313 N/A HIS 10.A N ASN 7.A O no hydrogen 2.987 N/A HIS 10.A ND1 SER 182.A OG no hydrogen 2.690 N/A GLY 12.A N ASN 78.A OD1 no hydrogen 2.906 N/A GLY 13.A N HIS 10.A O no hydrogen 2.688 N/A SER 16.A N GLY 12.A O no hydrogen 2.999 N/A SER 16.A OG GLY 12.A O no hydrogen 2.877 N/A ALA 17.A N GLY 13.A O no hydrogen 3.018 N/A LEU 18.A N MET 14.A O no hydrogen 3.384 N/A ARG 19.A N GLY 15.A O no hydrogen 3.375 N/A ARG 19.A N SER 16.A O no hydrogen 2.885 N/A ARG 19.A NH1 ARG 19.A O no hydrogen 2.774 N/A LEU 20.A N SER 16.A O no hydrogen 2.589 N/A LEU 20.A N ALA 17.A O no hydrogen 3.104 N/A SER 21.A N ALA 17.A O no hydrogen 2.739 N/A SER 21.A OG GLN 49.A O no hydrogen 3.186 N/A ALA 23.A N ARG 19.A O no hydrogen 3.115 N/A GLY 24.A N SER 21.A O no hydrogen 3.260 N/A HIS 25.A N LEU 20.A O no hydrogen 3.146 N/A THR 26.A N SER 1.A O no hydrogen 3.091 N/A ALA 28.A N ALA 3.A O no hydrogen 2.937 N/A CYS 29.A N LYS 51.A O no hydrogen 2.818 N/A CYS 29.A SG VAL 27.A O no hydrogen 3.388 N/A HIS 30.A N VAL 5.A O no hydrogen 3.048 N/A SER 33.A OG ASP 31.A OD1 no hydrogen 2.787 N/A PHE 34.A N ASP 31.A O no hydrogen 2.934 N/A LEU 40.A N GLN 36.A O no hydrogen 3.267 N/A GLU 41.A N ASP 38.A O no hydrogen 3.109 N/A ALA 42.A N ASP 38.A O no hydrogen 3.178 N/A ALA 42.A N GLU 39.A O no hydrogen 2.857 N/A PHE 43.A N GLU 39.A O no hydrogen 3.291 N/A GLU 45.A N GLU 41.A O no hydrogen 3.336 N/A GLU 45.A N ALA 42.A O no hydrogen 3.178 N/A THR 46.A OG1 ALA 42.A O no hydrogen 3.304 N/A TYR 47.A N PHE 43.A O no hydrogen 2.946 N/A GLN 49.A N GLN 49.A OE1 no hydrogen 3.165 N/A LEU 50.A N TYR 47.A O no hydrogen 3.428 N/A LYS 51.A N VAL 27.A O no hydrogen 2.866 N/A MET 53.A N CYS 29.A O no hydrogen 2.820 N/A GLN 56.A NE2 GLU 32.A O no hydrogen 3.131 N/A LEU 61.A N GLU 57.A O no hydrogen 2.713 N/A ILE 62.A N PRO 58.A O no hydrogen 3.111 N/A GLU 63.A N ALA 59.A O no hydrogen 2.706 N/A ALA 64.A N GLU 60.A O no hydrogen 2.622 N/A VAL 65.A N LEU 61.A O no hydrogen 2.817 N/A THR 66.A N ILE 62.A O no hydrogen 2.923 N/A THR 66.A OG1 ILE 62.A O no hydrogen 2.668 N/A SER 67.A N GLU 63.A O no hydrogen 2.986 N/A ALA 68.A N ALA 64.A O no hydrogen 2.686 N/A TYR 69.A N VAL 65.A O no hydrogen 2.786 N/A GLN 71.A NE2 ASP 73.A OD1 no hydrogen 3.463 N/A GLN 71.A NE2 ASP 73.A OD2 no hydrogen 2.490 N/A VAL 72.A N GLN 117.A OE1 no hydrogen 3.256 N/A ASP 73.A N THR 2.A O no hydrogen 2.956 N/A VAL 74.A N THR 2.A O no hydrogen 3.175 N/A LEU 75.A N HIS 125.A O no hydrogen 3.010 N/A VAL 76.A N ILE 4.A O no hydrogen 2.772 N/A SER 77.A N ILE 127.A O no hydrogen 2.808 N/A SER 77.A OG ASP 79.A OD2 no hydrogen 2.806 N/A ASN 78.A N VAL 76.A O no hydrogen 2.875 N/A ASN 78.A ND2 THR 6.A O no hydrogen 2.881 N/A ASN 78.A ND2 HIS 10.A O no hydrogen 3.070 N/A ASP 79.A N SER 77.A O no hydrogen 2.844 N/A GLN 86.A N TYR 91.A OH no hydrogen 3.301 N/A LYS 90.A N PRO 87.A O no hydrogen 2.452 N/A LYS 90.A NZ ASP 89.A OD2 no hydrogen 2.661 N/A TYR 91.A N ILE 88.A O no hydrogen 3.493 N/A TYR 91.A OH GLU 84.A O no hydrogen 2.918 N/A ASP 95.A N ALA 92.A O no hydrogen 3.027 N/A ARG 97.A N VAL 93.A O no hydrogen 3.437 N/A GLY 98.A N GLU 94.A O no hydrogen 3.088 N/A ALA 99.A N ASP 95.A O no hydrogen 3.236 N/A VAL 100.A N TYR 96.A O no hydrogen 2.890 N/A GLU 101.A N ARG 97.A O no hydrogen 2.744 N/A ALA 102.A N GLY 98.A O no hydrogen 2.805 N/A LEU 103.A N ALA 99.A O no hydrogen 3.059 N/A GLN 104.A N VAL 100.A O no hydrogen 3.043 N/A ILE 105.A N VAL 100.A O no hydrogen 2.552 N/A ARG 106.A N GLU 101.A O no hydrogen 3.292 N/A ARG 106.A NH1 GLN 56.A O no hydrogen 2.811 N/A ARG 106.A NH2 GLN 56.A O no hydrogen 3.496 N/A PHE 108.A N GLN 104.A O no hydrogen 3.427 N/A ALA 109.A N ILE 105.A O no hydrogen 2.707 N/A LEU 110.A N ARG 106.A O no hydrogen 2.896 N/A VAL 111.A N PRO 107.A O no hydrogen 3.107 N/A ASN 112.A N PHE 108.A O no hydrogen 2.911 N/A ALA 113.A N LEU 110.A O no hydrogen 3.031 N/A VAL 114.A N VAL 111.A O no hydrogen 3.265 N/A ALA 115.A N VAL 111.A O no hydrogen 2.692 N/A GLN 117.A NE2 THR 66.A OG1 no hydrogen 2.587 N/A MET 118.A N VAL 114.A O no hydrogen 3.259 N/A MET 118.A N ALA 115.A O no hydrogen 3.225 N/A LYS 119.A N ALA 115.A O no hydrogen 3.209 N/A ARG 121.A NE SER 123.A OG no hydrogen 3.257 N/A ARG 121.A NH1 VAL 72.A O no hydrogen 3.409 N/A ARG 121.A NH2 VAL 72.A O no hydrogen 3.119 N/A LYS 122.A N MET 118.A O no hydrogen 3.045 N/A HIS 125.A N ASP 73.A O no hydrogen 3.023 N/A HIS 125.A NE2 ASP 229.A OD1 no hydrogen 2.783 N/A ILE 126.A N PRO 168.A O no hydrogen 2.781 N/A ILE 127.A N LEU 75.A O no hydrogen 2.779 N/A PHE 128.A N PHE 170.A O no hydrogen 3.002 N/A ILE 129.A N SER 77.A O no hydrogen 3.066 N/A THR 130.A N ILE 172.A O no hydrogen 2.618 N/A THR 130.A OG1 ILE 172.A O no hydrogen 2.990 N/A SER 131.A OG THR 133.A OG1 no hydrogen 2.478 N/A ALA 132.A N PRO 174.A O no hydrogen 2.918 N/A THR 133.A N SER 131.A OG no hydrogen 3.182 N/A THR 133.A OG1 SER 131.A OG no hydrogen 2.478 N/A TYR 144.A N THR 143.A OG1 no hydrogen 2.674 N/A THR 145.A N LEU 141.A O no hydrogen 3.360 N/A THR 145.A OG1 LEU 141.A O no hydrogen 2.771 N/A SER 146.A OG SER 142.A O no hydrogen 2.506 N/A SER 146.A OG THR 143.A O no hydrogen 3.112 N/A ALA 147.A N THR 143.A O no hydrogen 2.869 N/A ARG 148.A N TYR 144.A O no hydrogen 3.112 N/A ARG 148.A NE TYR 144.A OH no hydrogen 3.554 N/A ARG 148.A NH1 ASP 79.A O no hydrogen 3.394 N/A ARG 148.A NH2 ASP 79.A O no hydrogen 3.126 N/A ARG 148.A NH2 TYR 144.A OH no hydrogen 3.495 N/A ALA 149.A N THR 145.A O no hydrogen 3.034 N/A GLY 150.A N SER 146.A O no hydrogen 2.971 N/A GLY 150.A N ALA 147.A O no hydrogen 2.696 N/A ALA 151.A N ALA 147.A O no hydrogen 2.883 N/A CYS 152.A N ARG 148.A O no hydrogen 2.743 N/A CYS 152.A SG THR 130.A OG1 no hydrogen 3.293 N/A CYS 152.A SG SER 131.A O no hydrogen 4.016 N/A CYS 152.A SG ARG 148.A O no hydrogen 3.429 N/A THR 153.A N ALA 149.A O no hydrogen 3.074 N/A THR 153.A OG1 ALA 149.A O no hydrogen 3.062 N/A LEU 154.A N GLY 150.A O no hydrogen 2.937 N/A ALA 155.A N ALA 151.A O no hydrogen 2.942 N/A ASN 156.A N CYS 152.A O no hydrogen 3.055 N/A ASN 156.A ND2 GLY 233.A O no hydrogen 2.804 N/A ALA 157.A N THR 153.A O no hydrogen 2.749 N/A LEU 158.A N LEU 154.A O no hydrogen 2.803 N/A SER 159.A N ALA 155.A O no hydrogen 3.246 N/A SER 159.A N ASN 156.A O no hydrogen 3.206 N/A SER 159.A OG ASN 156.A O no hydrogen 2.303 N/A LYS 160.A N ALA 157.A O no hydrogen 2.715 N/A LYS 160.A NZ SER 159.A OG no hydrogen 2.880 N/A LEU 162.A N LEU 158.A O no hydrogen 2.798 N/A GLY 163.A N SER 159.A O no hydrogen 3.214 N/A TYR 165.A N LEU 162.A O no hydrogen 3.065 N/A ASN 166.A N GLY 163.A O no hydrogen 2.697 N/A ILE 167.A N LEU 162.A O no hydrogen 3.150 N/A VAL 169.A N THR 232.A OG1 no hydrogen 3.121 N/A PHE 170.A N ILE 126.A O no hydrogen 2.794 N/A ALA 171.A N GLN 234.A O no hydrogen 3.144 N/A ILE 172.A N PHE 128.A O no hydrogen 2.809 N/A GLY 173.A N PHE 236.A O no hydrogen 2.571 N/A ASN 175.A ND2 PRO 174.A O no hydrogen 3.436 N/A TYR 176.A OH HIS 200.A NE2 no hydrogen 2.629 N/A HIS 178.A N GLY 211.A O no hydrogen 3.301 N/A HIS 178.A NE2 THR 188.A OG1 no hydrogen 2.473 N/A SER 179.A N TYR 186.A O no hydrogen 3.093 N/A SER 179.A OG SER 182.A O no hydrogen 2.855 N/A SER 182.A N SER 179.A O no hydrogen 3.447 N/A SER 182.A OG HIS 10.A ND1 no hydrogen 2.690 N/A TYR 186.A N SER 179.A OG no hydrogen 2.857 N/A THR 188.A N GLU 180.A O no hydrogen 3.313 N/A THR 188.A OG1 HIS 178.A NE2 no hydrogen 2.473 N/A LYS 192.A N THR 188.A O no hydrogen 3.126 N/A THR 193.A N PRO 190.A O no hydrogen 3.148 N/A THR 193.A OG1 THR 188.A O no hydrogen 3.472 N/A THR 193.A OG1 GLU 189.A OE2 no hydrogen 2.224 N/A ASN 194.A N PRO 190.A O no hydrogen 2.725 N/A HIS 197.A N ASN 194.A OD1 no hydrogen 3.298 N/A VAL 198.A N ASN 194.A O no hydrogen 2.992 N/A ALA 199.A N PRO 195.A O no hydrogen 3.138 N/A HIS 200.A N GLU 196.A O no hydrogen 3.178 N/A VAL 201.A N HIS 197.A O no hydrogen 3.127 N/A VAL 201.A N VAL 198.A O no hydrogen 3.080 N/A LYS 202.A N VAL 198.A O no hydrogen 3.236 N/A LYS 203.A N ALA 199.A O no hydrogen 3.118 N/A LYS 203.A NZ GLU 246.A OE1 no hydrogen 2.799 N/A VAL 204.A N VAL 201.A O no hydrogen 3.297 N/A THR 205.A N VAL 201.A O no hydrogen 3.174 N/A THR 205.A OG1 VAL 201.A O no hydrogen 2.508 N/A LEU 207.A N GLY 240.A O no hydrogen 3.399 N/A ARG 209.A NH1 LEU 210.A O no hydrogen 2.400 N/A ARG 209.A NH1 GLU 215.A OE2 no hydrogen 3.328 N/A ARG 209.A NH2 GLU 215.A OE1 no hydrogen 2.844 N/A ARG 209.A NH2 GLU 215.A OE2 no hydrogen 2.893 N/A GLY 211.A N TYR 176.A O no hydrogen 2.766 N/A THR 212.A N GLU 215.A OE2 no hydrogen 2.637 N/A THR 212.A OG1 GLU 215.A OE2 no hydrogen 3.243 N/A GLU 215.A N THR 212.A OG1 no hydrogen 3.028 N/A LEU 216.A N THR 212.A O no hydrogen 3.080 N/A GLY 217.A N GLN 213.A O no hydrogen 2.717 N/A GLU 218.A N LYS 214.A O no hydrogen 2.918 N/A GLU 218.A N GLU 215.A O no hydrogen 3.259 N/A LEU 219.A N GLU 215.A O no hydrogen 3.369 N/A VAL 220.A N LEU 216.A O no hydrogen 3.388 N/A ALA 221.A N GLY 217.A O no hydrogen 3.068 N/A PHE 222.A N GLU 218.A O no hydrogen 2.648 N/A LEU 223.A N LEU 219.A O no hydrogen 2.649 N/A ALA 224.A N VAL 220.A O no hydrogen 2.789 N/A SER 225.A N PHE 222.A O no hydrogen 3.291 N/A SER 225.A OG PHE 222.A O no hydrogen 2.452 N/A SER 225.A OG SER 227.A OG no hydrogen 2.567 N/A SER 227.A N SER 225.A OG no hydrogen 3.270 N/A SER 227.A OG SER 225.A OG no hydrogen 2.567 N/A LEU 231.A N CYS 228.A O no hydrogen 3.334 N/A THR 232.A N ASP 229.A O no hydrogen 3.154 N/A GLY 233.A N VAL 169.A O no hydrogen 2.860 N/A GLN 234.A NE2 VAL 235.A O no hydrogen 3.499 N/A PHE 236.A N ALA 171.A O no hydrogen 2.756 N/A LEU 238.A N GLY 173.A O no hydrogen 3.094 N/A