Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4knp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N HIS 24.A NE2 no hydrogen 3.539 N/A VAL 3.A N GLN 36.A OE1 no hydrogen 2.955 N/A ASP 4.A N THR 19.A O no hydrogen 2.896 N/A ALA 6.A N ARG 17.A O no hydrogen 2.904 N/A ALA 10.A N GLY 7.A O no hydrogen 2.781 N/A THR 11.A N GLY 7.A O no hydrogen 2.717 N/A THR 11.A OG1 GLY 7.A O no hydrogen 3.167 N/A THR 11.A OG1 GLY 13.A O no hydrogen 3.145 N/A THR 11.A OG1 VAL 15.A O no hydrogen 2.911 N/A GLY 12.A N PRO 8.A O no hydrogen 2.807 N/A GLY 13.A N THR 11.A OG1 no hydrogen 3.274 N/A ALA 16.A N VAL 52.A O no hydrogen 2.964 N/A ARG 17.A N ALA 6.A O no hydrogen 2.854 N/A LEU 18.A N VAL 54.A O no hydrogen 2.867 N/A THR 19.A N ASP 4.A O no hydrogen 2.893 N/A LEU 20.A N ALA 56.A O no hydrogen 2.900 N/A ASN 21.A N LEU 2.A O no hydrogen 2.819 N/A SER 22.A N ASN 27.A OD1 no hydrogen 2.759 N/A SER 22.A OG ASN 25.A OD1 no hydrogen 2.556 N/A ARG 26.A N PRO 23.A O no hydrogen 3.117 N/A ASN 27.A N SER 22.A O no hydrogen 2.624 N/A ASN 27.A ND2 LEU 20.A O no hydrogen 3.609 N/A ASN 27.A ND2 THR 58.A O no hydrogen 3.211 N/A ASN 27.A ND2 THR 61.A O no hydrogen 2.828 N/A ASN 27.A ND2 PHE 62.A O no hydrogen 3.427 N/A ALA 28.A N ASN 25.A OD1 no hydrogen 3.259 N/A LEU 29.A N GLY 65.A O no hydrogen 2.501 N/A SER 30.A N ALA 28.A O no hydrogen 3.013 N/A LEU 33.A N SER 30.A OG no hydrogen 3.132 N/A VAL 34.A N SER 30.A O no hydrogen 2.920 N/A SER 35.A N SER 31.A O no hydrogen 2.859 N/A SER 35.A OG SER 31.A O no hydrogen 3.351 N/A GLN 36.A N ALA 32.A O no hydrogen 2.904 N/A LEU 37.A N LEU 33.A O no hydrogen 2.893 N/A HIS 38.A N VAL 34.A O no hydrogen 2.912 N/A GLN 39.A N SER 35.A O no hydrogen 2.924 N/A GLN 39.A NE2 ASP 43.A OD1 no hydrogen 3.152 N/A GLY 40.A N GLN 36.A O no hydrogen 2.888 N/A LEU 41.A N LEU 37.A O no hydrogen 2.919 N/A ARG 42.A N HIS 38.A O no hydrogen 2.948 N/A ASP 43.A N GLN 39.A O no hydrogen 2.897 N/A ALA 44.A N GLY 40.A O no hydrogen 2.903 N/A SER 45.A N LEU 41.A O no hydrogen 2.910 N/A SER 46.A N ARG 42.A O no hydrogen 2.911 N/A SER 46.A OG ARG 42.A O no hydrogen 2.600 N/A ASP 47.A N ALA 44.A O no hydrogen 3.076 N/A ALA 49.A N ASP 47.A OD1 no hydrogen 2.861 N/A VAL 50.A N ASP 47.A O no hydrogen 2.942 N/A ARG 51.A N PRO 14.A O no hydrogen 2.743 N/A ARG 51.A NE GLY 188.A O no hydrogen 2.934 N/A ARG 51.A NH2 GLY 188.A O no hydrogen 2.844 N/A VAL 52.A N PRO 14.A O no hydrogen 3.265 N/A VAL 53.A N PRO 91.A O no hydrogen 2.960 N/A VAL 54.A N ALA 16.A O no hydrogen 2.852 N/A LEU 55.A N ILE 93.A O no hydrogen 2.820 N/A ALA 56.A N LEU 18.A O no hydrogen 2.831 N/A HIS 57.A ND1 THR 58.A O no hydrogen 2.958 N/A THR 58.A N LEU 20.A O no hydrogen 3.062 N/A THR 58.A OG1 LEU 20.A O no hydrogen 3.418 N/A THR 58.A OG1 ASN 21.A OD1 no hydrogen 2.918 N/A PHE 62.A N HIS 99.A O no hydrogen 2.801 N/A CYS 63.A N HIS 99.A O no hydrogen 3.342 N/A CYS 63.A SG ASN 27.A O no hydrogen 3.485 N/A ASP 72.A N SER 69.A OG no hydrogen 3.251 N/A VAL 74.A N TYR 71.A O no hydrogen 2.885 N/A GLU 75.A N ASP 72.A O no hydrogen 2.926 N/A ALA 77.A N ALA 73.A O no hydrogen 2.946 N/A ARG 78.A N VAL 74.A O no hydrogen 2.943 N/A ARG 78.A NE GLU 215.A OE1 no hydrogen 2.815 N/A ARG 78.A NE GLU 215.A OE2 no hydrogen 3.302 N/A ARG 78.A NH1 GLU 75.A OE2 no hydrogen 2.510 N/A ARG 78.A NH2 GLU 215.A OE2 no hydrogen 2.646 N/A GLU 79.A N GLU 75.A O no hydrogen 2.895 N/A ALA 81.A N ARG 78.A O no hydrogen 2.895 N/A LEU 82.A N GLU 79.A O no hydrogen 2.932 N/A ARG 83.A NE GLU 87.A OE2 no hydrogen 3.111 N/A ARG 83.A NH1 ASP 211.A OD1 no hydrogen 3.045 N/A ARG 83.A NH2 ASP 211.A OD1 no hydrogen 2.825 N/A ALA 84.A N ALA 81.A O no hydrogen 2.867 N/A ILE 85.A N LEU 82.A O no hydrogen 2.997 N/A GLU 87.A N ARG 83.A O no hydrogen 2.858 N/A SER 88.A N ILE 85.A O no hydrogen 3.376 N/A SER 88.A OG LEU 90.A O no hydrogen 3.456 N/A ARG 89.A NE SER 45.A O no hydrogen 3.252 N/A ARG 89.A NE SER 45.A OG no hydrogen 3.275 N/A ARG 89.A NH2 SER 45.A O no hydrogen 2.607 N/A ARG 89.A NH2 ASP 47.A O no hydrogen 3.294 N/A LEU 90.A N SER 88.A OG no hydrogen 2.865 N/A VAL 92.A N ASP 112.A OD1 no hydrogen 2.965 N/A ILE 93.A N VAL 53.A O no hydrogen 2.859 N/A ALA 94.A N ILE 113.A O no hydrogen 2.868 N/A ALA 95.A N LEU 55.A O no hydrogen 2.888 N/A ILE 96.A N VAL 115.A O no hydrogen 2.844 N/A ASP 97.A N HIS 57.A NE2 no hydrogen 3.116 N/A HIS 99.A N GLY 60.A O no hydrogen 3.033 N/A HIS 99.A ND1 SER 121.A OG no hydrogen 2.821 N/A VAL 100.A N SER 121.A O no hydrogen 2.897 N/A ARG 101.A N CYS 63.A O no hydrogen 3.019 N/A ARG 101.A NH1 VAL 100.A O no hydrogen 2.813 N/A ARG 101.A NH1 SER 121.A O no hydrogen 3.182 N/A ARG 101.A NH1 SER 121.A OG no hydrogen 2.818 N/A ARG 101.A NH2 SER 121.A OG no hydrogen 2.903 N/A GLY 104.A N ARG 101.A O no hydrogen 3.002 N/A PHE 105.A N ALA 102.A O no hydrogen 2.587 N/A LEU 107.A N GLY 103.A O no hydrogen 2.977 N/A VAL 108.A N GLY 104.A O no hydrogen 2.942 N/A GLY 109.A N PHE 105.A O no hydrogen 2.880 N/A ALA 110.A N GLY 106.A O no hydrogen 2.925 N/A ALA 110.A N LEU 107.A O no hydrogen 3.040 N/A CYS 111.A N LEU 107.A O no hydrogen 3.213 N/A CYS 111.A N VAL 108.A O no hydrogen 3.204 N/A CYS 111.A SG LEU 107.A O no hydrogen 3.593 N/A ASP 112.A N VAL 92.A O no hydrogen 2.958 N/A ILE 113.A N VAL 92.A O no hydrogen 3.186 N/A ALA 114.A N THR 171.A OG1 no hydrogen 2.906 N/A VAL 115.A N ALA 94.A O no hydrogen 2.924 N/A GLY 117.A N ILE 96.A O no hydrogen 2.810 N/A ARG 119.A N ASP 97.A OD1 no hydrogen 2.801 N/A ARG 119.A NE ASP 97.A O no hydrogen 3.009 N/A ARG 119.A NH2 GLY 59.A O no hydrogen 3.278 N/A ARG 119.A NH2 ASP 97.A O no hydrogen 2.742 N/A SER 120.A N GLY 117.A O no hydrogen 3.023 N/A SER 120.A OG GLY 117.A O no hydrogen 2.892 N/A SER 121.A OG HIS 99.A ND1 no hydrogen 2.821 N/A PHE 122.A N PHE 159.A O no hydrogen 2.885 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.701 N/A ARG 128.A N THR 125.A O no hydrogen 2.764 N/A ARG 128.A NE THR 155.A O no hydrogen 3.354 N/A ARG 128.A NH2 THR 155.A O no hydrogen 2.891 N/A ILE 129.A N GLU 126.A O no hydrogen 2.942 N/A GLY 130.A N ALA 127.A O no hydrogen 3.047 N/A VAL 131.A N GLU 126.A O no hydrogen 3.035 N/A SER 137.A N ALA 134.A O no hydrogen 3.201 N/A SER 137.A OG PRO 133.A O no hydrogen 2.580 N/A SER 137.A OG ALA 134.A O no hydrogen 3.383 N/A SER 137.A OG TYR 153.A OH no hydrogen 2.778 N/A LEU 138.A N ILE 135.A O no hydrogen 3.129 N/A THR 139.A N ILE 136.A O no hydrogen 3.276 N/A THR 139.A OG1 GLY 106.A O no hydrogen 3.139 N/A LEU 140.A N ILE 136.A O no hydrogen 2.936 N/A LEU 141.A N SER 137.A O no hydrogen 2.948 N/A LYS 143.A N LEU 140.A O no hydrogen 3.037 N/A LYS 143.A NZ GLY 109.A O no hydrogen 2.489 N/A LYS 143.A NZ CYS 111.A O no hydrogen 3.110 N/A LEU 144.A N LEU 140.A O no hydrogen 2.933 N/A SER 145.A N ILE 167.A O no hydrogen 3.090 N/A ALA 148.A N SER 145.A OG no hydrogen 3.304 N/A ALA 149.A N SER 145.A O no hydrogen 3.066 N/A ALA 150.A N ALA 146.A O no hydrogen 2.981 N/A ARG 151.A N ARG 147.A O no hydrogen 2.902 N/A ARG 151.A NE GLU 157.A OE1 no hydrogen 2.827 N/A ARG 151.A NH2 GLU 157.A OE1 no hydrogen 3.270 N/A ARG 151.A NH2 GLU 157.A OE2 no hydrogen 3.149 N/A TYR 152.A N ALA 148.A O no hydrogen 2.896 N/A TYR 153.A N ALA 149.A O no hydrogen 2.918 N/A TYR 153.A OH SER 137.A OG no hydrogen 2.778 N/A LEU 154.A N ALA 150.A O no hydrogen 2.977 N/A LEU 154.A N ARG 151.A O no hydrogen 3.036 N/A THR 155.A N ARG 151.A O no hydrogen 2.853 N/A THR 155.A OG1 ARG 151.A O no hydrogen 3.000 N/A THR 155.A OG1 GLU 157.A OE1 no hydrogen 2.978 N/A GLY 156.A N TYR 152.A O no hydrogen 3.178 N/A GLU 157.A N THR 155.A OG1 no hydrogen 3.222 N/A PHE 159.A N PHE 122.A O no hydrogen 2.774 N/A ARG 163.A N ASP 160.A OD1 no hydrogen 2.952 N/A ARG 163.A NE GLU 166.A OE1 no hydrogen 2.810 N/A ARG 163.A NH1 TYR 152.A OH no hydrogen 2.763 N/A ARG 163.A NH2 GLU 166.A OE1 no hydrogen 3.497 N/A ALA 164.A N ASP 160.A O no hydrogen 3.026 N/A GLU 165.A N ALA 161.A O no hydrogen 2.891 N/A GLU 166.A N ARG 162.A O no hydrogen 2.923 N/A ILE 167.A N ARG 163.A O no hydrogen 2.959 N/A GLY 168.A N ALA 164.A O no hydrogen 3.221 N/A GLY 168.A N GLU 165.A O no hydrogen 3.258 N/A LEU 169.A N ALA 164.A O no hydrogen 2.867 N/A ILE 170.A N ALA 164.A O no hydrogen 3.195 N/A THR 171.A N ALA 114.A O no hydrogen 2.618 N/A THR 171.A OG1 ALA 114.A O no hydrogen 3.445 N/A ALA 173.A N ALA 116.A O no hydrogen 3.032 N/A ALA 178.A N ASP 175.A OD1 no hydrogen 3.115 N/A ALA 179.A N ASP 175.A O no hydrogen 3.204 N/A VAL 180.A N VAL 176.A O no hydrogen 2.894 N/A ASP 181.A N ASP 177.A O no hydrogen 2.905 N/A GLN 182.A N ALA 178.A O no hydrogen 2.944 N/A GLN 182.A NE2 GLN 182.A O no hydrogen 3.270 N/A GLN 182.A NE2 ASP 186.A OD2 no hydrogen 3.420 N/A LEU 183.A N ALA 179.A O no hydrogen 2.954 N/A VAL 184.A N VAL 180.A O no hydrogen 2.865 N/A ALA 185.A N ASP 181.A O no hydrogen 2.898 N/A ASP 186.A N GLN 182.A O no hydrogen 2.983 N/A VAL 187.A N LEU 183.A O no hydrogen 2.888 N/A GLY 188.A N VAL 184.A O no hydrogen 2.893 N/A ARG 189.A N ALA 185.A O no hydrogen 3.022 N/A ARG 189.A N ASP 186.A O no hydrogen 3.144 N/A GLY 190.A N VAL 187.A O no hydrogen 2.641 N/A GLY 194.A N SER 191.A OG no hydrogen 2.870 N/A LEU 195.A N SER 191.A O no hydrogen 2.729 N/A ALA 196.A N PRO 192.A O no hydrogen 2.931 N/A ALA 197.A N GLN 193.A O no hydrogen 2.920 N/A SER 198.A N GLY 194.A O no hydrogen 2.879 N/A SER 198.A OG GLY 194.A O no hydrogen 2.587 N/A LYS 199.A N LEU 195.A O no hydrogen 2.895 N/A LYS 199.A NZ ILE 85.A O no hydrogen 2.970 N/A LYS 199.A NZ LEU 90.A O no hydrogen 2.726 N/A LYS 199.A NZ ASP 112.A OD1 no hydrogen 2.782 N/A ALA 200.A N ALA 196.A O no hydrogen 2.922 N/A LEU 201.A N ALA 197.A O no hydrogen 2.949 N/A THR 202.A OG1 LYS 199.A O no hydrogen 2.608 N/A THR 203.A N LYS 199.A O no hydrogen 2.975 N/A THR 203.A N ALA 200.A O no hydrogen 3.275 N/A THR 203.A OG1 LYS 199.A O no hydrogen 3.412 N/A THR 203.A OG1 ALA 200.A O no hydrogen 3.480 N/A ALA 204.A N ALA 200.A O no hydrogen 3.112 N/A LEU 207.A N THR 203.A O no hydrogen 2.900 N/A GLU 208.A N ALA 204.A O no hydrogen 2.946 N/A ARG 209.A N ALA 205.A O no hydrogen 2.955 N/A PHE 210.A N VAL 206.A O no hydrogen 2.944 N/A ASP 211.A N LEU 207.A O no hydrogen 2.927 N/A ARG 212.A N.A GLU 208.A O no hydrogen 2.977 N/A ARG 212.A N.B GLU 208.A O no hydrogen 2.966 N/A ASP 213.A N ARG 209.A O no hydrogen 2.908 N/A ALA 214.A N PHE 210.A O no hydrogen 2.902 N/A LEU 217.A N ASP 213.A O no hydrogen 2.896 N/A ALA 218.A N ALA 214.A O no hydrogen 2.938 N/A GLU 219.A N GLU 215.A O no hydrogen 2.964 N/A GLU 220.A N ARG 216.A O.A no hydrogen 2.959 N/A GLU 220.A N ARG 216.A O.B no hydrogen 2.981 N/A SER 221.A N LEU 217.A O no hydrogen 2.890 N/A ALA 222.A N ALA 218.A O no hydrogen 2.943 N/A ARG 223.A N GLU 219.A O no hydrogen 2.956 N/A LEU 224.A N GLU 220.A O no hydrogen 2.890 N/A PHE 225.A N SER 221.A O no hydrogen 2.905 N/A VAL 226.A N ALA 222.A O no hydrogen 2.927 N/A SER 227.A N ARG 223.A O no hydrogen 3.214 N/A SER 227.A N LEU 224.A O no hydrogen 3.148 N/A SER 227.A OG LEU 224.A O no hydrogen 2.683 N/A ARG 231.A N SER 227.A O no hydrogen 3.285 N/A GLU 232.A N ASP 228.A O no hydrogen 2.906 N/A GLY 233.A N GLU 229.A O no hydrogen 2.879 N/A ALA 235.A N GLU 232.A O no hydrogen 2.898 N/A GLU 238.A N LEU 234.A O no hydrogen 2.626 N/A LYS 239.A N PHE 236.A O no hydrogen 3.328 N/A ARG 240.A N ALA 235.A O no hydrogen 2.791 N/A ARG 240.A NE GLU 238.A OE1 no hydrogen 2.570 N/A ARG 240.A NH1 GLU 232.A OE2 no hydrogen 2.785 N/A ARG 240.A NH1 SER 241.A O no hydrogen 3.369 N/A ARG 240.A NH2 GLU 232.A OE1 no hydrogen 2.969 N/A ARG 240.A NH2 GLU 232.A OE2 no hydrogen 3.453 N/A SER 241.A OG PRO 242.A O no hydrogen 3.396 N/A SER 241.A OG THR 245.A O no hydrogen 2.233 N/A SER 241.A OG SER 246.A OXT no hydrogen 3.091 N/A ASN 243.A N GLU 232.A OE2 no hydrogen 2.740 N/A THR 245.A N PRO 242.A O no hydrogen 2.930 N/A