Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ket_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N PRO 3.A O no hydrogen 3.356 N/A THR 6.A OG1 ASP 47.A OD1 no hydrogen 2.825 N/A ALA 7.A N PRO 3.A O no hydrogen 2.994 N/A LYS 8.A N LYS 4.A O no hydrogen 3.019 N/A ARG 9.A N THR 6.A O no hydrogen 2.995 N/A ARG 9.A NE ASP 47.A OD2 no hydrogen 2.640 N/A ARG 9.A NH2 ASP 47.A OD1 no hydrogen 3.249 N/A ARG 9.A NH2 ASP 47.A OD2 no hydrogen 3.393 N/A LEU 10.A N THR 6.A O no hydrogen 3.275 N/A TYR 13.A N ARG 9.A O no hydrogen 2.936 N/A TYR 13.A OH ASP 47.A OD2 no hydrogen 2.497 N/A TYR 14.A N LEU 10.A O no hydrogen 2.943 N/A TYR 14.A OH ASP 76.A OD1 no hydrogen 2.424 N/A ARG 15.A N SER 11.A O no hydrogen 3.233 N/A ILE 16.A N LEU 12.A O no hydrogen 3.132 N/A PHE 17.A N TYR 13.A O no hydrogen 2.919 N/A LYS 18.A N TYR 14.A O no hydrogen 2.933 N/A LYS 18.A NZ ARG 102.A O no hydrogen 2.770 N/A ARG 19.A N ARG 15.A O no hydrogen 2.859 N/A PHE 20.A N ILE 16.A O no hydrogen 2.991 N/A ASN 21.A N PHE 17.A O no hydrogen 2.950 N/A THR 22.A N LYS 18.A O no hydrogen 2.901 N/A THR 22.A OG1 LYS 18.A O no hydrogen 3.152 N/A ASP 23.A N ARG 19.A O no hydrogen 2.915 N/A GLY 24.A N ASN 21.A O no hydrogen 3.168 N/A ILE 25.A N PHE 20.A O no hydrogen 3.031 N/A ALA 28.A N TYR 61.A O no hydrogen 2.907 N/A SER 29.A N GLN 32.A OE1 no hydrogen 2.779 N/A LYS 31.A NZ ASP 35.A OD1 no hydrogen 3.186 N/A LYS 31.A NZ ASP 35.A OD2 no hydrogen 3.172 N/A GLN 32.A N SER 29.A OG no hydrogen 3.089 N/A ILE 33.A N SER 29.A O no hydrogen 2.901 N/A ALA 34.A N SER 30.A O no hydrogen 2.838 N/A ASP 35.A N LYS 31.A O no hydrogen 2.867 N/A ALA 36.A N GLN 32.A O no hydrogen 3.183 N/A ALA 36.A N ILE 33.A O no hydrogen 3.267 N/A LEU 37.A N ILE 33.A O no hydrogen 3.059 N/A ILE 39.A N ALA 34.A O no hydrogen 2.972 N/A ALA 42.A N ASP 40.A OD2 no hydrogen 3.000 N/A THR 43.A N ASP 40.A O no hydrogen 3.314 N/A ARG 45.A N SER 41.A O no hydrogen 3.145 N/A ARG 45.A NH1 SER 30.A OG no hydrogen 3.093 N/A ARG 45.A NH1 SER 41.A OG no hydrogen 3.264 N/A ARG 46.A N ALA 42.A O no hydrogen 3.053 N/A ASP 47.A N THR 43.A O no hydrogen 2.714 N/A PHE 48.A N VAL 44.A O no hydrogen 2.807 N/A SER 49.A N ARG 45.A O no hydrogen 2.975 N/A SER 49.A OG ARG 46.A O no hydrogen 2.901 N/A TYR 50.A N ASP 47.A O no hydrogen 3.224 N/A PHE 51.A N PHE 48.A O no hydrogen 2.857 N/A GLY 52.A N SER 49.A O no hydrogen 3.345 N/A ARG 56.A N GLY 60.A O no hydrogen 3.032 N/A PHE 59.A N ARG 56.A O no hydrogen 3.088 N/A GLY 60.A N ARG 56.A O no hydrogen 3.099 N/A TYR 61.A N ALA 28.A O no hydrogen 2.832 N/A VAL 63.A N GLU 26.A O no hydrogen 2.745 N/A LYS 65.A N ASP 62.A OD1 no hydrogen 2.796 N/A LEU 66.A N ASP 62.A O no hydrogen 2.991 N/A MET 67.A N VAL 63.A O no hydrogen 2.826 N/A ASN 68.A N LYS 64.A O no hydrogen 2.943 N/A PHE 69.A N LYS 65.A O no hydrogen 2.967 N/A PHE 70.A N LEU 66.A O no hydrogen 2.971 N/A ALA 71.A N MET 67.A O no hydrogen 3.042 N/A GLU 72.A N ASN 68.A O no hydrogen 3.253 N/A ILE 73.A N PHE 69.A O no hydrogen 3.050 N/A LEU 74.A N PHE 70.A O no hydrogen 2.853 N/A ASN 75.A N GLU 72.A O no hydrogen 3.138 N/A ASP 76.A N ALA 71.A O no hydrogen 2.638 N/A THR 80.A N LYS 104.A O no hydrogen 2.984 N/A VAL 82.A N GLN 106.A O no hydrogen 2.752 N/A MET 83.A N THR 146.A O no hydrogen 3.100 N/A LEU 84.A N MET 109.A O no hydrogen 3.108 N/A VAL 85.A N ILE 148.A O no hydrogen 2.838 N/A GLY 86.A N PHE 111.A O no hydrogen 2.929 N/A CYS 87.A N ASP 112.A OD1 no hydrogen 2.754 N/A CYS 87.A SG PHE 111.A O no hydrogen 3.562 N/A ARG 92.A N GLY 88.A O no hydrogen 2.881 N/A ARG 92.A NH1 CYS 87.A O no hydrogen 3.537 N/A ALA 93.A N ASN 89.A O no hydrogen 3.349 N/A LEU 94.A N ILE 90.A O no hydrogen 3.050 N/A LEU 95.A N GLY 91.A O no hydrogen 3.010 N/A HIS 96.A N ARG 92.A O no hydrogen 3.144 N/A TYR 97.A N LEU 94.A O no hydrogen 2.843 N/A ARG 98.A NH2 LEU 95.A O no hydrogen 2.913 N/A PHE 99.A N TYR 97.A O no hydrogen 2.885 N/A HIS 100.A ND1 MET 105.A O no hydrogen 3.193 N/A ASP 101.A N ARG 98.A O no hydrogen 3.322 N/A ARG 102.A N PHE 99.A O no hydrogen 3.346 N/A ASN 103.A N PHE 99.A O no hydrogen 3.191 N/A LYS 104.A N ASP 76.A OD2 no hydrogen 3.093 N/A LYS 104.A NZ ASP 76.A O no hydrogen 2.402 N/A GLN 106.A N THR 80.A O no hydrogen 3.055 N/A GLN 106.A NE2 ASN 81.A OD1 no hydrogen 2.662 N/A SER 108.A N VAL 82.A O no hydrogen 2.965 N/A ALA 110.A N PRO 128.A O no hydrogen 2.944 N/A PHE 111.A N LEU 84.A O no hydrogen 2.794 N/A ASP 112.A N TYR 130.A O no hydrogen 2.956 N/A ASN 116.A N LEU 113.A O no hydrogen 2.864 N/A VAL 119.A N ASN 116.A O no hydrogen 3.209 N/A GLY 120.A N VAL 129.A O no hydrogen 3.078 N/A LYS 121.A N LEU 118.A O no hydrogen 3.222 N/A THR 122.A OG1 THR 123.A O no hydrogen 2.961 N/A THR 123.A N ILE 127.A O no hydrogen 2.870 N/A GLY 126.A N THR 123.A O no hydrogen 2.964 N/A VAL 129.A N LYS 121.A O no hydrogen 3.015 N/A TYR 130.A N ALA 110.A O no hydrogen 2.768 N/A ILE 132.A N ASP 112.A O no hydrogen 2.802 N/A SER 133.A N ASP 114.A OD2 no hydrogen 3.215 N/A SER 133.A OG ASP 114.A OD1 no hydrogen 2.821 N/A SER 133.A OG ASP 114.A OD2 no hydrogen 3.014 N/A THR 134.A N GLY 131.A O no hydrogen 2.889 N/A THR 134.A OG1 GLY 131.A O no hydrogen 2.612 N/A THR 134.A OG1 HIS 138.A ND1 no hydrogen 3.206 N/A ILE 135.A N ILE 132.A O no hydrogen 3.233 N/A ASP 137.A N THR 134.A O no hydrogen 2.939 N/A HIS 138.A N THR 134.A O no hydrogen 3.277 N/A HIS 138.A ND1 THR 134.A O no hydrogen 3.162 N/A LEU 139.A N ILE 135.A O no hydrogen 2.988 N/A ILE 140.A N ASP 137.A O no hydrogen 3.389 N/A SER 142.A OG LEU 139.A O no hydrogen 3.059 N/A ILE 144.A N SER 142.A OG no hydrogen 3.202 N/A ALA 147.A N GLY 170.A O no hydrogen 2.947 N/A ILE 148.A N MET 83.A O no hydrogen 2.736 N/A LEU 149.A N LEU 172.A O no hydrogen 2.889 N/A THR 150.A N VAL 85.A O no hydrogen 2.868 N/A THR 150.A OG1 VAL 85.A O no hydrogen 3.044 N/A THR 150.A OG1 GLY 86.A O no hydrogen 2.709 N/A THR 154.A OG1 GLU 155.A OE2 no hydrogen 2.753 N/A GLU 155.A N PRO 152.A O no hydrogen 2.835 N/A ALA 156.A N SER 153.A O no hydrogen 3.164 N/A GLN 157.A NE2 ASP 161.A OD2 no hydrogen 2.779 N/A GLN 157.A NE2 THR 180.A O no hydrogen 3.096 N/A VAL 159.A N GLU 155.A O no hydrogen 2.900 N/A ALA 160.A N ALA 156.A O no hydrogen 2.777 N/A ASP 161.A N GLN 157.A O no hydrogen 3.001 N/A ILE 162.A N GLU 158.A O no hydrogen 3.374 N/A LEU 163.A N VAL 159.A O no hydrogen 3.017 N/A VAL 164.A N ALA 160.A O no hydrogen 2.970 N/A LYS 165.A N ASP 161.A O no hydrogen 2.960 N/A ALA 166.A N ILE 162.A O no hydrogen 2.960 N/A GLY 167.A N VAL 164.A O no hydrogen 3.056 N/A ILE 168.A N LEU 163.A O no hydrogen 2.922 N/A LYS 169.A N GLU 145.A O no hydrogen 2.748 N/A GLY 170.A N GLU 145.A O no hydrogen 3.214 N/A ILE 171.A N ILE 186.A O no hydrogen 2.804 N/A LEU 172.A N ALA 147.A O no hydrogen 2.896 N/A SER 173.A N GLN 188.A O no hydrogen 2.902 N/A PHE 174.A N LEU 149.A O no hydrogen 3.025 N/A SER 175.A N SER 173.A OG no hydrogen 3.299 N/A VAL 177.A N SER 175.A O no hydrogen 2.894 N/A LEU 179.A N TYR 189.A OH no hydrogen 2.672 N/A THR 180.A N GLN 157.A OE1 no hydrogen 2.938 N/A ILE 185.A N PRO 182.A O no hydrogen 3.102 N/A ILE 186.A N LYS 169.A O no hydrogen 3.166 N/A GLN 188.A N ILE 171.A O no hydrogen 2.903 N/A VAL 190.A N SER 173.A O no hydrogen 2.824 N/A SER 194.A N ASP 191.A OD1 no hydrogen 3.189 N/A GLU 195.A N ASP 191.A O no hydrogen 3.058 N/A LEU 196.A N LEU 192.A O no hydrogen 3.017 N/A GLN 197.A N THR 193.A O no hydrogen 2.836 N/A THR 198.A N SER 194.A O no hydrogen 2.910 N/A THR 198.A OG1 SER 194.A O no hydrogen 2.600 N/A LEU 199.A N GLU 195.A O no hydrogen 2.980 N/A LEU 200.A N LEU 196.A O no hydrogen 3.111 N/A TYR 201.A N GLN 197.A O no hydrogen 2.948 N/A PHE 202.A N THR 198.A O no hydrogen 2.917 N/A MET 203.A N LEU 199.A O no hydrogen 2.930 N/A ASN 204.A N LEU 200.A O no hydrogen 3.118 N/A ASN 204.A N TYR 201.A O no hydrogen 3.272 N/A GLN 205.A N TYR 201.A O no hydrogen 3.366 N/A GLN 205.A N PHE 202.A O no hydrogen 3.173 N/A GLN 205.A NE2 TYR 201.A O no hydrogen 2.917 N/A