Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4khp_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH PRO 6.A O no hydrogen 3.009 N/A CYS 8.A SG CYS 30.A O no hydrogen 1.712 N/A LEU 10.A N VAL 7.A O no hydrogen 2.672 N/A CYS 11.A N VAL 7.A O no hydrogen 3.385 N/A CYS 11.A SG LEU 18.A O no hydrogen 2.930 N/A ARG 12.A NH1 TYR 37.A O no hydrogen 3.180 N/A GLY 15.A N ARG 12.A O no hydrogen 3.060 N/A VAL 16.A N GLU 14.A O no hydrogen 2.945 N/A GLU 23.A N LYS 21.A O no hydrogen 2.651 N/A CYS 25.A SG LEU 18.A O no hydrogen 4.000 N/A CYS 25.A SG CYS 30.A O no hydrogen 3.616 N/A SER 27.A OG GLU 23.A O no hydrogen 3.142 N/A CYS 30.A SG LEU 18.A O no hydrogen 3.131 N/A ARG 35.A N ALA 31.A O no hydrogen 3.007 N/A GLY 43.A N GLY 40.A O no hydrogen 2.980 N/A LYS 45.A NZ HIS 42.A ND1 no hydrogen 3.341 N/A ARG 49.A NH1 PRO 50.A O no hydrogen 3.345 N/A ALA 54.A N SER 51.A OG no hydrogen 3.138 N/A VAL 55.A N SER 51.A O no hydrogen 3.049 N/A ARG 56.A N ASP 52.A O no hydrogen 3.195 N/A ARG 56.A NH1 ASP 52.A O no hydrogen 3.360 N/A ARG 56.A NH2 GLU 204.A OE2 no hydrogen 2.528 N/A LEU 57.A N TYR 53.A O no hydrogen 2.716 N/A ARG 58.A N ALA 54.A O no hydrogen 2.847 N/A GLU 59.A N VAL 55.A O no hydrogen 2.945 N/A LYS 60.A N ARG 56.A O no hydrogen 3.265 N/A LYS 60.A NZ GLN 61.A OE1 no hydrogen 2.998 N/A LYS 60.A NZ GLU 71.A OE1 no hydrogen 2.917 N/A GLN 61.A N LEU 57.A O no hydrogen 2.829 N/A LYS 62.A N ARG 58.A O no hydrogen 2.722 N/A LYS 62.A NZ GLU 59.A OE2 no hydrogen 2.682 N/A LYS 62.A NZ PRO 196.A O no hydrogen 2.824 N/A LEU 63.A N GLU 59.A O no hydrogen 3.040 N/A ARG 64.A N LYS 60.A O no hydrogen 2.961 N/A ARG 64.A NH1 ILE 69.A O no hydrogen 3.169 N/A ARG 64.A NH2 GLN 61.A OE1 no hydrogen 3.047 N/A ARG 65.A N GLN 61.A O no hydrogen 2.795 N/A ARG 65.A NH1 GLU 14.A OE1 no hydrogen 3.188 N/A ILE 66.A N LYS 62.A O no hydrogen 2.934 N/A TYR 67.A N LEU 63.A O no hydrogen 3.444 N/A TYR 67.A OH GLU 97.A OE1 no hydrogen 2.563 N/A GLY 68.A N ARG 65.A O no hydrogen 3.238 N/A GLN 73.A N SER 70.A O no hydrogen 3.176 N/A PHE 74.A N SER 70.A O no hydrogen 2.848 N/A ARG 75.A N GLU 71.A O no hydrogen 2.885 N/A ARG 75.A NE GLU 79.A OE1 no hydrogen 3.287 N/A ARG 75.A NH2 GLU 79.A OE1 no hydrogen 3.008 N/A ASN 76.A N ARG 72.A O no hydrogen 3.261 N/A LEU 77.A N GLN 73.A O no hydrogen 3.084 N/A PHE 78.A N PHE 74.A O no hydrogen 2.964 N/A GLU 79.A N ARG 75.A O no hydrogen 2.990 N/A GLU 80.A N ASN 76.A O no hydrogen 2.880 N/A ALA 81.A N LEU 77.A O no hydrogen 2.949 N/A SER 82.A N PHE 78.A O no hydrogen 2.960 N/A SER 82.A OG PHE 78.A O no hydrogen 3.028 N/A LYS 83.A N GLU 79.A O no hydrogen 3.343 N/A LYS 84.A N GLU 80.A O no hydrogen 3.343 N/A LYS 84.A NZ GLU 80.A OE1 no hydrogen 3.380 N/A THR 88.A OG1 ALA 81.A O no hydrogen 2.997 N/A THR 88.A OG1 GLY 86.A O no hydrogen 3.432 N/A VAL 91.A N VAL 87.A O no hydrogen 3.093 N/A PHE 92.A N THR 88.A O no hydrogen 3.419 N/A LEU 93.A N GLY 89.A O no hydrogen 3.454 N/A GLY 94.A N SER 90.A O no hydrogen 2.614 N/A LEU 95.A N VAL 91.A O no hydrogen 2.791 N/A LEU 96.A N PHE 92.A O no hydrogen 2.680 N/A GLU 97.A N LEU 93.A O no hydrogen 2.906 N/A SER 98.A N LEU 95.A O no hydrogen 3.023 N/A SER 98.A OG GLY 94.A O no hydrogen 2.843 N/A ARG 99.A NE ASP 101.A OD2 no hydrogen 3.260 N/A ARG 99.A NH2 ASP 101.A OD2 no hydrogen 3.148 N/A LEU 100.A N TYR 137.A O no hydrogen 2.844 N/A ASP 101.A N PRO 135.A O no hydrogen 3.189 N/A ASN 102.A N ARG 99.A O no hydrogen 2.819 N/A ASN 102.A ND2 GLU 97.A O no hydrogen 3.066 N/A ASN 102.A ND2 GLU 97.A OE2 no hydrogen 2.873 N/A VAL 103.A N ARG 99.A O no hydrogen 3.013 N/A VAL 104.A N LEU 100.A O no hydrogen 2.924 N/A ARG 106.A N ASN 102.A O no hydrogen 2.638 N/A ARG 106.A NE GLU 97.A OE2 no hydrogen 2.639 N/A LEU 107.A N VAL 103.A O no hydrogen 2.596 N/A GLY 108.A N TYR 105.A O no hydrogen 3.027 N/A VAL 111.A N GLN 115.A OE1 no hydrogen 2.679 N/A ARG 113.A NE ASN 102.A OD1 no hydrogen 2.565 N/A ARG 113.A NH2 ASN 102.A OD1 no hydrogen 3.154 N/A ARG 114.A NH2 GLY 5.A O no hydrogen 3.361 N/A ALA 116.A N SER 112.A O no hydrogen 2.641 N/A ARG 117.A N ARG 113.A O no hydrogen 2.777 N/A GLN 118.A N ARG 114.A O no hydrogen 3.274 N/A LEU 119.A N GLN 115.A O no hydrogen 3.050 N/A VAL 120.A N ALA 116.A O no hydrogen 3.076 N/A ARG 121.A N ARG 117.A O no hydrogen 2.911 N/A ARG 121.A NE ASP 133.A O no hydrogen 3.081 N/A ARG 121.A NH2 ASP 133.A O no hydrogen 3.324 N/A HIS 122.A N GLN 118.A O no hydrogen 2.954 N/A GLY 123.A N VAL 120.A O no hydrogen 3.372 N/A HIS 124.A N LEU 119.A O no hydrogen 3.131 N/A HIS 124.A ND1 SER 151.A OG no hydrogen 2.917 N/A THR 126.A N ALA 146.A O no hydrogen 3.288 N/A THR 126.A OG1 GLY 129.A O no hydrogen 2.750 N/A THR 126.A OG1 ARG 130.A O no hydrogen 3.147 N/A ASN 128.A N GLU 144.A O no hydrogen 2.822 N/A ASN 128.A ND2 ASP 143.A OD1 no hydrogen 3.409 N/A VAL 132.A N ILE 125.A O no hydrogen 3.449 N/A TYR 137.A N LEU 134.A O no hydrogen 2.789 N/A ARG 138.A NH2 GLU 80.A OE2 no hydrogen 3.011 N/A VAL 139.A N SER 98.A O no hydrogen 2.639 N/A ARG 140.A N ASP 143.A OD2 no hydrogen 2.929 N/A GLY 142.A N PHE 184.A O no hydrogen 2.554 N/A GLU 144.A N ASN 128.A OD1 no hydrogen 2.867 N/A ILE 145.A N GLY 182.A O no hydrogen 3.018 N/A ALA 146.A N THR 126.A O no hydrogen 2.823 N/A VAL 147.A N MET 180.A O no hydrogen 3.174 N/A ALA 148.A N HIS 124.A O no hydrogen 2.813 N/A LYS 150.A N GLU 149.A OE1 no hydrogen 3.081 N/A LYS 150.A NZ GLU 149.A OE1 no hydrogen 3.461 N/A SER 151.A N ALA 148.A O no hydrogen 2.345 N/A SER 151.A OG HIS 124.A ND1 no hydrogen 2.917 N/A ARG 152.A N ALA 148.A O no hydrogen 3.042 N/A ARG 152.A N GLU 149.A O no hydrogen 3.185 N/A ARG 152.A NH2 GLY 179.A O no hydrogen 3.102 N/A LEU 154.A N SER 151.A O no hydrogen 3.175 N/A ARG 158.A N LEU 154.A O no hydrogen 3.002 N/A GLN 159.A N GLU 155.A O no hydrogen 2.816 N/A ASN 160.A N LEU 156.A O no hydrogen 3.234 N/A ASN 160.A ND2 PHE 109.A O no hydrogen 3.199 N/A ASN 160.A ND2 GLN 115.A OE1 no hydrogen 3.106 N/A LEU 161.A N ILE 157.A O no hydrogen 2.843 N/A GLU 162.A N ARG 158.A O no hydrogen 2.692 N/A ALA 163.A N GLN 159.A O no hydrogen 2.658 N/A LYS 165.A N GLU 162.A O no hydrogen 2.699 N/A LYS 165.A NZ GLU 162.A OE1 no hydrogen 2.782 N/A ARG 167.A NH2 TYR 26.A OH no hydrogen 3.352 N/A LEU 173.A N GLY 170.A O no hydrogen 2.984 N/A SER 174.A N LYS 183.A O no hydrogen 3.350 N/A GLY 179.A N ASP 176.A OD2 no hydrogen 2.878 N/A LYS 181.A N ASP 176.A O no hydrogen 3.171 N/A GLY 182.A N ILE 145.A O no hydrogen 2.946 N/A LYS 183.A N SER 174.A O no hydrogen 2.907 N/A PHE 184.A N ASP 143.A O no hydrogen 3.073 N/A LEU 185.A N TRP 172.A O no hydrogen 2.783 N/A ARG 186.A N TRP 172.A O no hydrogen 3.451 N/A ARG 186.A NH2 ASP 192.A OD2 no hydrogen 2.680 N/A ASP 189.A N ASP 192.A OD1 no hydrogen 2.812 N/A ARG 190.A N ASP 189.A OD2 no hydrogen 3.250 N/A ARG 190.A NE GLU 199.A OE1 no hydrogen 2.920 N/A ARG 190.A NH1 ARG 190.A O no hydrogen 3.152 N/A ARG 190.A NH2 LEU 195.A O no hydrogen 3.017 N/A ARG 190.A NH2 VAL 197.A O no hydrogen 3.070 N/A ASP 192.A N ASP 189.A O no hydrogen 3.000 N/A LEU 193.A N ARG 190.A O no hydrogen 3.268 N/A VAL 197.A N LEU 195.A O no hydrogen 2.695 N/A ASN 198.A N GLU 59.A OE1 no hydrogen 2.726 N/A GLN 200.A N ASN 198.A OD1 no hydrogen 3.233 N/A LEU 201.A N ASN 198.A O no hydrogen 3.112 N/A VAL 202.A N GLU 199.A O no hydrogen 2.662 N/A ILE 203.A N GLU 199.A O no hydrogen 2.855 N/A GLU 204.A N GLN 200.A O no hydrogen 3.215 N/A PHE 205.A N LEU 201.A O no hydrogen 3.066 N/A TYR 206.A N VAL 202.A O no hydrogen 3.247 N/A TYR 206.A N ILE 203.A O no hydrogen 3.226 N/A TYR 206.A OH GLU 71.A OE2 no hydrogen 2.757 N/A SER 207.A N GLU 204.A O no hydrogen 2.874 N/A SER 207.A OG ILE 203.A O no hydrogen 3.274 N/A