Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3le7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 GLU 26.A OE1.A no hydrogen 2.541 N/A ASN 2.A ND2 GLU 26.A OE1.B no hydrogen 3.072 N/A ILE 4.A N LEU 51.A O no hydrogen 2.748 N/A TYR 6.A N LYS 53.A O no hydrogen 2.519 N/A TYR 6.A OH THR 11.A OG1 no hydrogen 2.335 N/A ALA 8.A N GLN 55.A O no hydrogen 2.449 N/A GLY 9.A N ASP 7.A OD1 no hydrogen 2.630 N/A ASN 10.A N ASP 7.A O no hydrogen 3.461 N/A ASN 10.A N ASP 7.A OD1 no hydrogen 3.252 N/A THR 11.A OG1 TYR 6.A OH no hydrogen 2.335 N/A THR 11.A OG1 THR 12.A O no hydrogen 3.218 N/A LYS 15.A N THR 12.A OG1 no hydrogen 2.804 N/A TYR 16.A N THR 12.A O no hydrogen 2.632 N/A TYR 16.A OH MET 172.A O no hydrogen 2.403 N/A ALA 17.A N ILE 13.A O no hydrogen 2.511 N/A THR 18.A N ASN 14.A O no hydrogen 2.733 N/A THR 18.A OG1 ASN 14.A O no hydrogen 2.863 N/A PHE 19.A N LYS 15.A O no hydrogen 2.556 N/A MET 20.A N TYR 16.A O no hydrogen 2.541 N/A GLU 21.A N ALA 17.A O no hydrogen 2.666 N/A SER 22.A N THR 18.A O no hydrogen 2.570 N/A SER 22.A OG THR 18.A O no hydrogen 2.725 N/A LEU 23.A N PHE 19.A O no hydrogen 2.616 N/A ARG 24.A N MET 20.A O no hydrogen 2.635 N/A ARG 24.A NE ALA 177.A O no hydrogen 2.467 N/A ARG 24.A NH1 GLU 183.A OE1 no hydrogen 2.573 N/A ARG 24.A NH2 ALA 176.A O no hydrogen 2.389 N/A ARG 24.A NH2 ALA 177.A O no hydrogen 3.377 N/A ARG 24.A NH2 GLU 183.A OE1 no hydrogen 2.608 N/A ASN 25.A N GLU 21.A O no hydrogen 2.573 N/A GLU 26.A N SER 22.A O no hydrogen 2.531 N/A ALA 27.A N LEU 23.A O no hydrogen 2.557 N/A LYS 28.A N ARG 24.A O no hydrogen 2.595 N/A LYS 28.A NZ ASN 25.A OD1 no hydrogen 2.901 N/A ASP 29.A N MET 39.A O no hydrogen 2.660 N/A SER 31.A N ASP 29.A OD1 no hydrogen 2.547 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 2.386 N/A LEU 32.A N ASP 29.A O no hydrogen 3.167 N/A GLN 33.A NE2.A THR 261.A OG1 no hydrogen 3.348 N/A CYS 34.A N ILE 37.A O no hydrogen 2.654 N/A TYR 35.A N GLN 259.A O no hydrogen 2.393 N/A TYR 35.A OH ALA 217.A O no hydrogen 2.555 N/A TYR 35.A OH GLN 259.A OE1 no hydrogen 3.348 N/A GLY 36.A N THR 260.A O no hydrogen 2.629 N/A ILE 37.A N CYS 34.A O no hydrogen 2.759 N/A MET 39.A N LEU 32.A O no hydrogen 2.879 N/A LEU 40.A N LEU 251.A O no hydrogen 2.630 N/A SER 44.A N ASN 42.A OD1 no hydrogen 3.013 N/A SER 44.A OG ASN 43.A OD1 no hydrogen 3.155 N/A SER 45.A OG ILE 47.A O no hydrogen 2.591 N/A LYS 48.A NZ.A TYR 49.A OH no hydrogen 2.762 N/A LYS 48.A NZ.B ASN 43.A O no hydrogen 2.472 N/A TYR 49.A OH GLU 96.A OE1 no hydrogen 3.415 N/A LEU 50.A N LEU 66.A O no hydrogen 2.599 N/A LEU 51.A N ASN 2.A O no hydrogen 2.626 N/A VAL 52.A N LEU 64.A O no hydrogen 2.284 N/A LYS 53.A N ILE 4.A O no hydrogen 2.655 N/A LEU 54.A N ILE 62.A O no hydrogen 2.450 N/A GLN 55.A N TYR 6.A O no hydrogen 2.673 N/A GLY 56.A N LYS 60.A O no hydrogen 2.504 N/A ALA 57.A N SER 145.A O no hydrogen 2.660 N/A GLN 59.A N GLY 56.A O no hydrogen 2.700 N/A LYS 60.A N ALA 57.A O no hydrogen 2.840 N/A LYS 60.A NZ GLY 149.A O no hydrogen 2.308 N/A LYS 60.A NZ SER 152.A O no hydrogen 2.643 N/A ILE 62.A N LEU 54.A O no hydrogen 2.563 N/A THR 63.A N SER 77.A O no hydrogen 2.582 N/A LEU 64.A N VAL 52.A O no hydrogen 2.375 N/A MET 65.A N GLY 75.A O no hydrogen 2.824 N/A LEU 66.A N LEU 50.A O no hydrogen 2.568 N/A ARG 67.A N TYR 72.A O no hydrogen 2.616 N/A ARG 67.A NE GLU 96.A OE1 no hydrogen 2.684 N/A ARG 67.A NE GLU 96.A OE2 no hydrogen 3.202 N/A ARG 67.A NH1 ASN 70.A OD1 no hydrogen 3.104 N/A ARG 67.A NH2 GLU 96.A OE2 no hydrogen 2.610 N/A ARG 68.A N LYS 48.A O no hydrogen 2.518 N/A ARG 68.A NE GLU 26.A O no hydrogen 2.602 N/A ARG 68.A NH1 ILE 47.A O no hydrogen 2.295 N/A ARG 68.A NH2 GLU 26.A O no hydrogen 3.339 N/A ARG 68.A NH2 LYS 28.A O no hydrogen 2.715 N/A TYR 72.A N ASN 70.A OD1 no hydrogen 2.804 N/A MET 74.A N MET 65.A O no hydrogen 2.504 N/A TYR 76.A N HIS 87.A O no hydrogen 2.501 N/A TYR 76.A OH GLU 162.A OE2 no hydrogen 2.325 N/A SER 77.A N THR 63.A O no hydrogen 2.568 N/A ASP 78.A N ARG 85.A O no hydrogen 2.680 N/A PHE 80.A N ASN 83.A O no hydrogen 2.620 N/A ASN 83.A N PHE 80.A O no hydrogen 2.741 N/A CYS 84.A N SER 110.A O no hydrogen 2.546 N/A ARG 85.A N ASP 78.A O no hydrogen 2.654 N/A ARG 85.A NE ASP 78.A OD1 no hydrogen 2.715 N/A ARG 85.A NH1 GLN 154.A O no hydrogen 2.626 N/A ARG 85.A NH1 SER 155.A O no hydrogen 3.447 N/A ARG 85.A NH2 ASP 78.A OD1 no hydrogen 3.326 N/A ARG 85.A NH2 ASP 78.A OD2 no hydrogen 2.474 N/A ARG 85.A NH2 GLN 154.A O no hydrogen 2.596 N/A TYR 86.A N ASP 112.A O no hydrogen 2.744 N/A HIS 87.A N TYR 76.A O no hydrogen 2.529 N/A HIS 87.A NE2 ASP 78.A OD1 no hydrogen 2.169 N/A PHE 89.A N MET 74.A O no hydrogen 3.072 N/A ASN 90.A N TYR 118.A O no hydrogen 3.255 N/A ILE 92.A N PHE 89.A O no hydrogen 2.841 N/A ARG 97.A NH1 PHE 89.A O no hydrogen 2.615 N/A ARG 97.A NH1 ILE 92.A O no hydrogen 2.622 N/A ARG 97.A NH2 ILE 88.A O no hydrogen 3.467 N/A THR 98.A N GLY 94.A O no hydrogen 2.803 N/A THR 98.A OG1 GLY 94.A O no hydrogen 2.845 N/A ASN 99.A N THR 95.A O no hydrogen 2.617 N/A VAL 100.A N GLU 96.A O no hydrogen 2.337 N/A GLU 101.A N ARG 97.A O no hydrogen 2.821 N/A ASN 102.A N THR 98.A O no hydrogen 2.482 N/A THR 103.A N ASN 99.A O no hydrogen 2.382 N/A THR 103.A OG1 ASN 99.A O no hydrogen 2.301 N/A LEU 104.A N VAL 100.A O no hydrogen 2.615 N/A CYS 105.A N GLU 101.A O no hydrogen 2.771 N/A CYS 105.A SG CYS 84.A O no hydrogen 3.433 N/A SER 106.A N THR 103.A O no hydrogen 3.356 N/A SER 106.A OG THR 103.A O no hydrogen 3.161 N/A SER 108.A N CYS 105.A O no hydrogen 3.259 N/A SER 108.A OG CYS 105.A O no hydrogen 2.606 N/A SER 110.A OG ASN 83.A OD1 no hydrogen 2.680 N/A ARG 111.A NE CYS 105.A O no hydrogen 3.389 N/A ARG 111.A NH1 GLU 101.A OE2 no hydrogen 2.691 N/A ARG 111.A NH1 ASN 102.A OD1 no hydrogen 2.532 N/A ARG 111.A NH2 ASN 102.A OD1 no hydrogen 3.075 N/A ASP 112.A N CYS 84.A O no hydrogen 2.716 N/A LYS 114.A N TYR 86.A O no hydrogen 2.651 N/A ILE 116.A N ILE 88.A O no hydrogen 2.670 N/A TYR 118.A OH GLU 162.A OE1 no hydrogen 2.618 N/A LEU 121.A N ASN 119.A OD1 no hydrogen 2.838 N/A TYR 122.A OH GLU 175.A OE2 no hydrogen 2.373 N/A THR 124.A OG1 ASN 119.A OD1 no hydrogen 2.224 N/A LEU 125.A N LEU 121.A O no hydrogen 2.768 N/A GLU 126.A N TYR 122.A O no hydrogen 2.473 N/A LYS 127.A N SER 123.A O no hydrogen 2.590 N/A LYS 128.A N THR 124.A O no hydrogen 2.553 N/A ALA 129.A N LEU 125.A O no hydrogen 2.380 N/A GLU 130.A N LYS 127.A O no hydrogen 2.638 N/A VAL 131.A N GLU 126.A O no hydrogen 2.671 N/A ASN 132.A N GLN 136.A OE1 no hydrogen 2.477 N/A SER 133.A N GLN 136.A OE1 no hydrogen 3.188 N/A SER 133.A OG SER 135.A OG no hydrogen 2.988 N/A ARG 134.A N GLU 126.A OE2 no hydrogen 2.638 N/A ARG 134.A NE GLU 204.A OE1 no hydrogen 2.451 N/A ARG 134.A NH1 GLU 126.A OE2 no hydrogen 2.499 N/A ARG 134.A NH2 GLU 204.A OE1 no hydrogen 2.699 N/A ARG 134.A NH2 GLU 205.A OE2 no hydrogen 2.771 N/A SER 135.A N SER 133.A OG no hydrogen 2.772 N/A SER 135.A OG SER 133.A OG no hydrogen 2.988 N/A GLN 136.A N SER 133.A O no hydrogen 2.732 N/A VAL 137.A N ARG 134.A O no hydrogen 2.743 N/A LEU 139.A N PHE 194.A O no hydrogen 2.453 N/A GLN 142.A N GLN 142.A OE1 no hydrogen 2.688 N/A LEU 144.A N GLY 140.A O no hydrogen 2.699 N/A SER 145.A N ILE 141.A O no hydrogen 2.552 N/A SER 146.A N GLN 142.A O no hydrogen 2.498 N/A SER 146.A OG GLN 142.A O no hydrogen 2.926 N/A ASP 147.A N ILE 143.A O no hydrogen 2.420 N/A ILE 148.A N LEU 144.A O no hydrogen 2.548 N/A GLY 149.A N SER 145.A O no hydrogen 2.863 N/A LYS 150.A N SER 146.A O no hydrogen 2.811 N/A LYS 150.A N ASP 147.A O no hydrogen 2.741 N/A LYS 150.A NZ ASP 147.A OD1 no hydrogen 2.707 N/A ILE 151.A N ASP 147.A O no hydrogen 2.964 N/A ILE 151.A N ILE 148.A O no hydrogen 2.991 N/A SER 152.A N ILE 148.A O no hydrogen 2.494 N/A SER 152.A OG THR 61.A O no hydrogen 2.388 N/A GLY 153.A N ASP 78.A OD2 no hydrogen 2.401 N/A GLN 154.A N ILE 151.A O no hydrogen 2.942 N/A THR 158.A OG1 THR 161.A OG1 no hydrogen 2.956 N/A LYS 160.A NZ GLU 130.A OE1 no hydrogen 2.788 N/A THR 161.A N THR 158.A OG1 no hydrogen 2.862 N/A THR 161.A OG1 THR 158.A OG1 no hydrogen 2.956 N/A GLU 162.A N THR 158.A O no hydrogen 2.806 N/A ALA 163.A N ASP 159.A O no hydrogen 2.302 N/A LYS 164.A N LYS 160.A O no hydrogen 2.662 N/A PHE 165.A N THR 161.A O no hydrogen 2.687 N/A LEU 166.A N GLU 162.A O no hydrogen 2.512 N/A LEU 167.A N ALA 163.A O no hydrogen 2.580 N/A VAL 168.A N LYS 164.A O no hydrogen 2.642 N/A ALA 169.A N PHE 165.A O no hydrogen 2.552 N/A ILE 170.A N LEU 166.A O no hydrogen 2.503 N/A GLN 171.A N LEU 167.A O no hydrogen 2.901 N/A GLN 171.A NE2 GLU 204.A OE2 no hydrogen 2.366 N/A MET 172.A N VAL 168.A O no hydrogen 2.584 N/A VAL 173.A N ILE 170.A O no hydrogen 3.346 N/A SER 174.A OG LEU 71.A O no hydrogen 2.525 N/A GLU 175.A N ILE 170.A O no hydrogen 2.724 N/A ALA 177.A N VAL 173.A O no hydrogen 2.719 N/A ARG 178.A N SER 174.A O no hydrogen 2.574 N/A ARG 178.A NE ASN 70.A O no hydrogen 3.176 N/A ARG 178.A NH2 ASN 70.A O no hydrogen 2.349 N/A PHE 179.A N GLU 175.A O no hydrogen 2.485 N/A TYR 181.A N ASP 247.A O no hydrogen 2.767 N/A GLU 183.A N PHE 179.A O no hydrogen 2.691 N/A ASN 184.A N LYS 180.A O no hydrogen 2.430 N/A GLN 185.A N TYR 181.A O no hydrogen 2.632 N/A VAL 186.A N ILE 182.A O no hydrogen 2.744 N/A LYS 187.A N GLU 183.A O no hydrogen 2.654 N/A LYS 187.A NZ GLU 183.A OE2 no hydrogen 2.582 N/A THR 188.A N ASN 184.A O no hydrogen 2.504 N/A THR 188.A OG1 ASN 184.A O no hydrogen 2.671 N/A ASN 189.A N GLN 185.A O no hydrogen 2.733 N/A ASN 189.A ND2 GLN 185.A O no hydrogen 2.625 N/A ASN 189.A ND2 GLN 185.A OE1 no hydrogen 3.453 N/A PHE 190.A N LYS 187.A O no hydrogen 2.880 N/A ARG 192.A N ASN 189.A O no hydrogen 2.775 N/A ARG 192.A NH1 ASN 189.A OD1 no hydrogen 2.482 N/A PHE 194.A N LEU 139.A O no hydrogen 2.565 N/A SER 195.A OG GLN 138.A OE1 no hydrogen 3.241 N/A ASN 197.A ND2 TYR 181.A OH no hydrogen 2.591 N/A ASP 198.A N ALA 231.A O no hydrogen 3.257 N/A LYS 199.A NZ ASP 247.A OD1 no hydrogen 3.347 N/A LYS 199.A NZ ASP 247.A OD2 no hydrogen 2.536 N/A ILE 200.A N ASN 197.A OD1 no hydrogen 2.665 N/A LEU 201.A N ASN 197.A O no hydrogen 2.996 N/A ASP 202.A N ASP 198.A O no hydrogen 2.553 N/A LEU 203.A N LYS 199.A O no hydrogen 2.664 N/A GLU 204.A N ILE 200.A O no hydrogen 2.698 N/A GLU 205.A N LEU 201.A O no hydrogen 2.701 N/A ASN 206.A N LEU 203.A O no hydrogen 2.828 N/A ASN 206.A ND2 ASP 202.A O no hydrogen 2.674 N/A TRP 207.A N GLU 204.A O no hydrogen 3.364 N/A TRP 207.A NE1 LEU 250.A O no hydrogen 2.615 N/A ILE 210.A N ASN 206.A O no hydrogen 2.469 N/A SER 211.A N TRP 207.A O no hydrogen 2.586 N/A SER 211.A OG TRP 207.A O no hydrogen 2.514 N/A THR 212.A N GLY 208.A O no hydrogen 2.635 N/A THR 212.A OG1 GLY 208.A O no hydrogen 2.728 N/A ALA 213.A N LYS 209.A O no hydrogen 2.662 N/A ILE 214.A N ILE 210.A O no hydrogen 2.557 N/A HIS 215.A N SER 211.A O no hydrogen 2.558 N/A HIS 215.A ND1 ASP 216.A OD1 no hydrogen 2.615 N/A HIS 215.A NE2 GLY 256.A O no hydrogen 2.670 N/A ASP 216.A N THR 212.A O no hydrogen 2.512 N/A ALA 217.A N ILE 214.A O no hydrogen 2.945 N/A THR 218.A N ALA 221.A O no hydrogen 2.764 N/A GLY 220.A N TYR 35.A OH no hydrogen 2.657 N/A ALA 221.A N THR 218.A O no hydrogen 2.720 N/A LEU 222.A N LEU 239.A O no hydrogen 2.645 N/A LYS 224.A NZ PRO 223.A O no hydrogen 3.376 N/A LEU 226.A N VAL 238.A O no hydrogen 2.576 N/A LEU 228.A N TRP 236.A O no hydrogen 2.486 N/A LYS 229.A N ASP 202.A OD2 no hydrogen 2.545 N/A LYS 229.A NZ GLY 233.A O no hydrogen 3.499 N/A ASN 230.A N THR 234.A O no hydrogen 2.595 N/A GLY 233.A N ASN 230.A O no hydrogen 2.669 N/A THR 234.A N ASP 232.A OD1 no hydrogen 2.829 N/A THR 234.A OG1 ASN 230.A OD1 no hydrogen 2.751 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 2.535 N/A TRP 236.A N LEU 228.A O no hydrogen 2.564 N/A VAL 238.A N LEU 226.A O no hydrogen 2.607 N/A LEU 239.A N GLU 243.A OE2 no hydrogen 2.468 N/A ARG 240.A N GLU 243.A OE2 no hydrogen 2.525 N/A ARG 240.A NH2 ASN 219.A O no hydrogen 2.258 N/A VAL 241.A N GLY 220.A O no hydrogen 2.503 N/A GLU 243.A N ARG 240.A O no hydrogen 2.772 N/A ILE 244.A N VAL 241.A O no hydrogen 2.704 N/A LYS 245.A N VAL 241.A O no hydrogen 2.481 N/A LYS 245.A NZ TYR 35.A O no hydrogen 2.423 N/A ASP 247.A N ILE 244.A O no hydrogen 2.603 N/A MET 248.A N LYS 245.A O no hydrogen 2.640 N/A GLY 249.A N ARG 178.A O no hydrogen 2.461 N/A LEU 250.A N ARG 178.A O no hydrogen 2.664 N/A LEU 251.A N PRO 38.A O no hydrogen 2.595 N/A ASN 252.A N SER 211.A OG no hydrogen 2.607 N/A CYS 258.A SG GLN 33.A O no hydrogen 3.081 N/A