| 1 | M | 42.2 | Very low | 48.6 | Very low | 242 Ų | 242 | 149.1 Ų | 149.1 | 100% | 1.192 | 76% | 0.762 | S | S | * | * | | | | 0 | 96.8 | 0 | -69.6 | 164.2 | -179.5 | 0 | 0 | 105.9 | | |
| 2 | L | 48.8 | Very low | 48.5 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 125.8 | -179.2 | -75.5 | 94.4 | 0 | 0 | 0 | 107.9 | | |
| 3 | A | 48.6 | Very low | 48.7 | Very low | 55 Ų | 55 | 138.8 Ų | 138.8 | 46% | 0.455 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 135 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108 | E5 W7 | A3-E5 PolarHBondContact O-N 3.48Å; A3-W7 HydrophobicContact CB-CZ2 3.6Å |
| 4 | P | 46.4 | Very low | 49 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 48% | 0.481 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 134.9 | -176.2 | 25.6 | -31.9 | 0 | 0 | 0 | 109.2 | W6 W7 | P4-W6 HydrophobicContact CB-CE3 4.27Å; P4-W6 HydrophobicContact CB-CZ2 4.43Å; P4-W6 PolarHBondContact O-N 3Å; P4-W6 HydrophobicContact CB-CD2 4.13Å; P4-W7 PolarHBondContact O-NE1 3.17Å |
| 5 | E | 54.5 | Low | 49.1 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 41.7 | -171.4 | -69.8 | -178.6 | 80.3 | 0 | 0 | 115.4 | A3 | A3-E5 PolarHBondContact O-N 3.48Š|
| 6 | W | 48.1 | Very low | 49.5 | Very low | 227 Ų | 227 | 135.9 Ų | 135.9 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | -1.1 | -174.2 | -41.6 | -31.6 | 0 | 0 | 0 | 113.7 | P4 | P4-W6 HydrophobicContact CB-CE3 4.27Å; P4-W6 HydrophobicContact CB-CZ2 4.43Å; P4-W6 PolarHBondContact O-N 3Å; P4-W6 HydrophobicContact CB-CD2 4.13Å |
| 7 | W | 44.6 | Very low | 49.5 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 64% | 0.64 | 70% | 0.695 | S | S | * | * | | | trans | -107.4 | 24.7 | -174.8 | 54.9 | -90 | 0 | 0 | 0 | 113.8 | A3 P4 V9 | A3-W7 HydrophobicContact CB-CZ2 3.6Å; P4-W7 PolarHBondContact O-NE1 3.17Å; W7-V9 PolarHBondContact O-N 3Å |
| 8 | S | 46 | Very low | 49.4 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | | | trans | -78.3 | 64.9 | 161.4 | -123.8 | 0 | 0 | 0 | 0 | 109.3 | N10 | S8-N10 VanDerWaalsContact C-N 3.26Å; S8-N10 PolarHBondContact O-N 3.01Å |
| 9 | V | 51.9 | Low | 49.5 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 65% | 0.648 | 71% | 0.711 | S | S | * | * | | | trans | -62.9 | 97.9 | 163.6 | -176.9 | 0 | 0 | 0 | 0 | 105.1 | W7 L11 | W7-V9 PolarHBondContact O-N 3Å; V9-L11 HydrophobicContact CG1-CG 4.3Å; V9-L11 PolarHBondContact O-N 2.92Å |
| 10 | N | 51.6 | Low | 49.7 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | | | trans | -61 | 91.4 | 167.5 | -105.6 | -82.9 | 0 | 0 | 0 | 106.8 | S8 A12 | S8-N10 VanDerWaalsContact C-N 3.26Å; S8-N10 PolarHBondContact O-N 3.01Å; N10-A12 PolarHBondContact O-N 2.78Å |
| 11 | L | 52.1 | Low | 49.8 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 90% | 0.895 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -67.3 | 26.5 | 175.9 | -96.4 | 150.3 | 0 | 0 | 0 | 112.7 | V9 | V9-L11 HydrophobicContact CG1-CG 4.3Å; V9-L11 PolarHBondContact O-N 2.92Å |
| 12 | A | 47.8 | Very low | 50.4 | Low | 72 Ų | 72 | 128.6 Ų | 128.6 | 60% | 0.595 | 66% | 0.663 | S | S | * | * | | | trans | -135.6 | 53.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | N10 | N10-A12 PolarHBondContact O-N 2.78Š|
| 13 | Q | 51.1 | Low | 50.5 | Low | 93 Ų | 93 | 129.2 Ų | 129.2 | 44% | 0.435 | 66% | 0.658 | S | S | . | * | | | trans | -121 | 88.4 | 162.9 | -72.8 | -142.2 | -28.1 | 0 | 0 | 109.4 | W15 L16 | Q13-W15 HydrophobicContact CG-CZ2 4.15Å; Q13-W15 PolarHBondContact O-N 2.83Å; Q13-W15 VanDerWaalsContact OE1-NE1 3.13Å; Q13-L16 PolarHBondContact O-N 3.24Å; Q13-L16 HydrophobicContact CB-CD1 3.84Å; Q13-L16 HydrophobicContact CB-CG 4.04Å |
| 14 | P | 52.5 | Low | 50.7 | Low | 116 Ų | 116 | 136.4 Ų | 136.4 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -2.9 | -178.3 | 27.4 | -33.6 | 0 | 0 | 0 | 113.7 | | |
| 15 | W | 50.9 | Low | 50.9 | Low | 176 Ų | 176 | 137.2 Ų | 137.2 | 67% | 0.667 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -2.5 | 179.6 | 41.1 | 73.3 | 0 | 0 | 0 | 114 | Q13 P17 | Q13-W15 HydrophobicContact CG-CZ2 4.15Å; Q13-W15 PolarHBondContact O-N 2.83Å; Q13-W15 VanDerWaalsContact OE1-NE1 3.13Å; W15-P17 VanDerWaalsContact O-CD 3.26Å; W15-P17 WeakPolarHBondContact O-CD 3.47Å |
| 16 | L | 54.4 | Low | 50.7 | Low | 78 Ų | 78 | 130.5 Ų | 130.5 | 41% | 0.408 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -78.5 | 115.1 | 172 | -73.7 | 171.3 | 0 | 0 | 0 | 108.6 | Q13 M18 | Q13-L16 PolarHBondContact O-N 3.24Å; Q13-L16 HydrophobicContact CB-CD1 3.84Å; Q13-L16 HydrophobicContact CB-CG 4.04Å; L16-M18 PolarHBondContact O-N 3.03Å |
| 17 | P | 49.5 | Very low | 51.1 | Low | 88 Ų | 88 | 127.7 Ų | 127.7 | 57% | 0.571 | 69% | 0.687 | S | S | * | * | | | trans | -60.5 | 138.3 | 175.8 | 24.5 | -31.1 | 0 | 0 | 0 | 108.7 | W15 E19 F20 | W15-P17 VanDerWaalsContact O-CD 3.26Å; W15-P17 WeakPolarHBondContact O-CD 3.47Å; P17-E19 PolarHBondContact O-N 3.42Å; P17-F20 PolarHBondContact O-N 2.85Å |
| 18 | M | 49.2 | Very low | 51.6 | Low | 176 Ų | 176 | 122 Ų | 122 | 87% | 0.867 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -14.6 | -175.4 | -166.5 | 156.1 | 178.3 | 0 | 0 | 114.3 | L16 F20 S21 | L16-M18 PolarHBondContact O-N 3.03Å; M18-F20 PolarHBondContact O-N 2.09Å; M18-S21 PolarHBondContact O-OG 2.85Å; M18-S21 PolarHBondContact O-N 3.27Å |
| 19 | E | 49.7 | Very low | 52 | Low | 178 Ų | 178 | 124.9 Ų | 124.9 | 83% | 0.832 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -8.5 | 168.7 | -71.1 | -92.5 | 90.2 | 0 | 0 | 114.1 | P17 S21 | P17-E19 PolarHBondContact O-N 3.42Å; E19-S21 PolarHBondContact O-N 2.95Å |
| 20 | F | 54.6 | Low | 52.2 | Low | 81 Ų | 81 | 122.3 Ų | 122.3 | 36% | 0.355 | 66% | 0.659 | S | S | . | * | | | trans | -76.2 | 35.5 | 164.9 | -127.5 | -111.6 | 0 | 0 | 0 | 111.5 | P17 M18 Y22 | P17-F20 PolarHBondContact O-N 2.85Å; M18-F20 PolarHBondContact O-N 2.09Å; F20-Y22 VanDerWaalsContact O-N 3.11Å; F20-Y22 PolarHBondContact O-N 2.95Å; F20-Y22 WeakPolarHBondContact O-CD2 3.23Å; F20-Y22 WeakPolarHBondContact CE1-OH 3.26Å; F20-Y22 AromaticContact CE1-CZ 3.39Å; F20-Y22 HydrophobicContact CE1-CE2 3.68Å; F20-Y22 AromaticContact CE1-CE2 3.68Å; F20-Y22 AromaticContact CD1-CZ 3.67Å; F20-Y22 HydrophobicContact CE1-CE1 4.25Å; F20-Y22 VanDerWaalsContact C-N 3.34Å; F20-Y22 HydrophobicContact CD1-CD2 4.22Å; F20-Y22 AromaticContact CD1-CE2 3.41Å; F20-Y22 HydrophobicContact CD1-CE2 3.41Å; F20-Y22 VanDerWaalsContact CD1-CE2 3.41Å |
| 21 | S | 51.7 | Low | 52.2 | Low | 90 Ų | 90 | 121.2 Ų | 121.2 | 63% | 0.629 | 66% | 0.66 | S | S | * | * | | | trans | -78.3 | 92.2 | 167.2 | -69.6 | 0 | 0 | 0 | 0 | 106.7 | M18 E19 K23 | M18-S21 PolarHBondContact O-OG 2.85Å; M18-S21 PolarHBondContact O-N 3.27Å; E19-S21 PolarHBondContact O-N 2.95Å; S21-K23 PolarHBondContact O-N 2.78Å |
| 22 | Y | 54.5 | Low | 52.2 | Low | 155 Ų | 155 | 116.1 Ų | 116.1 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | | | trans | -53.4 | 101.8 | 169.8 | -69.3 | -89.8 | 0 | 0 | 0 | 109 | F20 E24 P28 | F20-Y22 VanDerWaalsContact O-N 3.11Å; F20-Y22 PolarHBondContact O-N 2.95Å; F20-Y22 WeakPolarHBondContact O-CD2 3.23Å; F20-Y22 WeakPolarHBondContact CE1-OH 3.26Å; F20-Y22 AromaticContact CE1-CZ 3.39Å; F20-Y22 HydrophobicContact CE1-CE2 3.68Å; F20-Y22 AromaticContact CE1-CE2 3.68Å; F20-Y22 AromaticContact CD1-CZ 3.67Å; F20-Y22 HydrophobicContact CE1-CE1 4.25Å; F20-Y22 VanDerWaalsContact C-N 3.34Å; F20-Y22 HydrophobicContact CD1-CD2 4.22Å; F20-Y22 AromaticContact CD1-CE2 3.41Å; F20-Y22 HydrophobicContact CD1-CE2 3.41Å; F20-Y22 VanDerWaalsContact CD1-CE2 3.41Å; Y22-E24 PolarHBondContact O-N 2.83Å; Y22-E24 VanDerWaalsContact O-N 3.13Å; Y22-P28 HydrophobicContact CE1-CB 4.14Å; Y22-P28 HydrophobicContact CE1-CG 3.84Å |
| 23 | K | 50.4 | Low | 52.7 | Low | 185 Ų | 185 | 117.4 Ų | 117.4 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | | | trans | -71.1 | 108.4 | 164.2 | -108 | -178.2 | 175.5 | 174.7 | 0 | 106.6 | S21 G25 G26 | S21-K23 PolarHBondContact O-N 2.78Å; K23-G25 PolarHBondContact O-N 2.88Å; K23-G25 VanDerWaalsContact O-N 3.09Å; K23-G26 PolarHBondContact O-N 2.97Å; K23-G26 VanDerWaalsContact O-N 3.12Å |
| 24 | E | 52.3 | Low | 52.6 | Low | 206 Ų | 206 | 118.9 Ų | 118.9 | 96% | 0.963 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -30 | 110.7 | 170 | -150.6 | 175.1 | 99.9 | 0 | 0 | 110.8 | Y22 | Y22-E24 PolarHBondContact O-N 2.83Å; Y22-E24 VanDerWaalsContact O-N 3.13Å |
| 25 | G | 51 | Low | 52.5 | Low | 92 Ų | 92 | 121.9 Ų | 121.9 | 95% | 0.948 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.4 | -4.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | K23 | K23-G25 PolarHBondContact O-N 2.88Å; K23-G25 VanDerWaalsContact O-N 3.09Å |
| 26 | G | 51.7 | Low | 52.6 | Low | 48 Ų | 48 | 118.3 Ų | 118.3 | 50% | 0.495 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -115.3 | 119.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K23 | K23-G26 PolarHBondContact O-N 2.97Å; K23-G26 VanDerWaalsContact O-N 3.12Å |
| 27 | L | 55.1 | Low | 52.3 | Low | 168 Ų | 168 | 124 Ų | 124 | 88% | 0.88 | 69% | 0.685 | S | S | * | * | | | trans | -47.3 | 134 | 165.9 | -76.4 | 164.2 | 0 | 0 | 0 | 108.4 | H29 | L27-H29 PolarHBondContact O-N 3.42Š|
| 28 | P | 55.4 | Low | 52.4 | Low | 49 Ų | 49 | 122.7 Ų | 122.7 | 32% | 0.318 | 68% | 0.677 | S | S | . | * | | | trans | -57.7 | 116.7 | 176.1 | 26.4 | -34.1 | 0 | 0 | 0 | 106.9 | Y22 C30 | Y22-P28 HydrophobicContact CE1-CB 4.14Å; Y22-P28 HydrophobicContact CE1-CG 3.84Å; P28-C30 PolarHBondContact O-SG 3.09Å; P28-C30 PolarHBondContact O-N 3.27Å; P28-C30 VanDerWaalsContact C-N 3.27Å |
| 29 | H | 54.2 | Low | 52.4 | Low | 169 Ų | 169 | 124 Ų | 124 | 78% | 0.782 | 70% | 0.699 | S | S | * | * | | | trans | -70.3 | 94.8 | 177.7 | -155.2 | 137.5 | 0 | 0 | 0 | 106.1 | L27 S31 | L27-H29 PolarHBondContact O-N 3.42Å; H29-S31 VanDerWaalsContact CD2-CB 3.47Å; H29-S31 WeakPolarHBondContact CD2-CB 3.1Å; H29-S31 PolarHBondContact CD2-OG 2.87Å; H29-S31 PolarHBondContact NE2-OG 3.13Å; H29-S31 PolarHBondContact O-N 3.12Å |
| 30 | C | 56.6 | Low | 52.5 | Low | 54 Ų | 54 | 121.3 Ų | 121.3 | 37% | 0.365 | 69% | 0.692 | S | S | . | * | | | trans | -70.2 | 36.5 | -177.7 | -52.2 | 0 | 0 | 0 | 0 | 111.7 | P28 G32 C38 | P28-C30 PolarHBondContact O-SG 3.09Å; P28-C30 PolarHBondContact O-N 3.27Å; P28-C30 VanDerWaalsContact C-N 3.27Å; C30-G32 PolarHBondContact O-N 3.11Å; C30-C38 WeakPolarHBondContact SG-CB 3.5Å; C30-C38 PolarHBondContact SG-SG 2.86Å; C30-C38 CovalentContact SG-SG 2.09Å; C30-C38 WeakPolarHBondContact CB-SG 3.36Å |
| 31 | S | 51.1 | Low | 52.4 | Low | 100 Ų | 100 | 123.4 Ų | 123.4 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 7.4 | -171.8 | -95.1 | 0 | 0 | 0 | 0 | 115.6 | H29 | H29-S31 VanDerWaalsContact CD2-CB 3.47Å; H29-S31 WeakPolarHBondContact CD2-CB 3.1Å; H29-S31 PolarHBondContact CD2-OG 2.87Å; H29-S31 PolarHBondContact NE2-OG 3.13Å; H29-S31 PolarHBondContact O-N 3.12Å |
| 32 | G | 52.8 | Low | 52.5 | Low | 64 Ų | 64 | 125.2 Ų | 125.2 | 66% | 0.66 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | -2.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | C30 | C30-G32 PolarHBondContact O-N 3.11Š|
| 33 | L | 57.2 | Low | 52.4 | Low | 99 Ų | 99 | 123.5 Ų | 123.5 | 52% | 0.518 | 72% | 0.72 | S | S | . | * | | | trans | -128.4 | 92.6 | -171.1 | -67.9 | 171.3 | 0 | 0 | 0 | 110.3 | H35 L36 | L33-H35 PolarHBondContact O-N 2.86Å; L33-L36 HydrophobicContact CB-CD1 4.45Å; L33-L36 HydrophobicContact CD1-CD1 3.86Å; L33-L36 PolarHBondContact O-N 2.71Å |
| 34 | P | 50.8 | Low | 52.5 | Low | 125 Ų | 125 | 119.6 Ų | 119.6 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -3.2 | -176.8 | 18 | -22 | 0 | 0 | 0 | 114.5 | | |
| 35 | H | 48.9 | Very low | 52.5 | Low | 178 Ų | 178 | 113.9 Ų | 113.9 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | -2.7 | -173 | -74.7 | -116.1 | 0 | 0 | 0 | 114.5 | L33 | L33-H35 PolarHBondContact O-N 2.86Š|
| 36 | L | 52.7 | Low | 52.6 | Low | 102 Ų | 102 | 115.4 Ų | 115.4 | 53% | 0.534 | 68% | 0.681 | S | S | . | * | | | trans | -104 | 99.7 | 174.4 | -71.6 | 171.4 | 0 | 0 | 0 | 108.2 | L33 C38 | L33-L36 HydrophobicContact CB-CD1 4.45Å; L33-L36 HydrophobicContact CD1-CD1 3.86Å; L33-L36 PolarHBondContact O-N 2.71Å; L36-C38 VanDerWaalsContact C-N 3.32Å; L36-C38 PolarHBondContact O-N 3.43Å |
| 37 | Q | 48.7 | Very low | 52.7 | Low | 197 Ų | 197 | 120.6 Ų | 120.6 | 92% | 0.921 | 70% | 0.695 | S | S | * | * | | | trans | -67.1 | 100 | 164 | -145.1 | 163.5 | 31.3 | 0 | 0 | 105.9 | | |
| 38 | C | 51.5 | Low | 52.5 | Low | 61 Ų | 61 | 116.7 Ų | 116.7 | 41% | 0.412 | 68% | 0.68 | S | S | . | * | | | trans | -63.6 | 129 | 176 | -59.7 | 0 | 0 | 0 | 0 | 106.8 | C30 L36 | C30-C38 WeakPolarHBondContact SG-CB 3.5Å; C30-C38 PolarHBondContact SG-SG 2.86Å; C30-C38 CovalentContact SG-SG 2.09Å; C30-C38 WeakPolarHBondContact CB-SG 3.36Å; L36-C38 VanDerWaalsContact C-N 3.32Å; L36-C38 PolarHBondContact O-N 3.43Å |
| 39 | P | 49.8 | Very low | 52.2 | Low | 202 Ų | 202 | 122.8 Ų | 122.8 | 100% | 1.312 | 71% | 0.713 | S | S | * | * | | | trans | -64.8 | 0 | -177 | 27 | -34.4 | 0 | 0 | 0 | 112.6 | | |