| 1 | A | 51.2 | Low | 51.2 | Low | 147 Ų | 147 | 110.3 Ų | 110.3 | 100% | 1.215 | 70% | 0.702 | S | S | * | * | | | | 0 | 84.9 | 0 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 2 | T | 49.8 | Very low | 51.6 | Low | 138 Ų | 138 | 108.8 Ų | 108.8 | 85% | 0.847 | 69% | 0.691 | S | S | * | * | | | trans | -141.5 | 22.5 | -146.8 | -25.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 3 | I | 50 | Low | 52 | Low | 151 Ų | 151 | 104.3 Ų | 104.3 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -121.4 | -27.6 | -179.2 | -64.2 | 174.4 | 0 | 0 | 0 | 111.6 | G5 | I3-G5 VanDerWaalsContact C-N 3.3Å; I3-G5 PolarHBondContact O-N 3.39Å |
| 4 | C | 47.6 | Very low | 52.3 | Low | 120 Ų | 120 | 105.4 Ų | 105.4 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -13.2 | -176.1 | -157 | 0 | 0 | 0 | 0 | 115 | | |
| 5 | G | 48 | Very low | 52.5 | Low | 53 Ų | 53 | 103.8 Ų | 103.8 | 55% | 0.546 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.5 | -11.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | I3 | I3-G5 VanDerWaalsContact C-N 3.3Å; I3-G5 PolarHBondContact O-N 3.39Å |
| 6 | S | 52.7 | Low | 52.7 | Low | 83 Ų | 83 | 104 Ų | 104 | 58% | 0.58 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -90.8 | -23 | -172.7 | -160.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 7 | M | 48.3 | Very low | 52.9 | Low | 129 Ų | 129 | 102.1 Ų | 102.1 | 64% | 0.635 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -83.9 | -21.5 | -174.8 | -65.4 | -87.4 | 70.1 | 0 | 0 | 114 | L10 | M7-L10 HydrophobicContact CE-CD1 3.85Å |
| 8 | T | 55.1 | Low | 53.1 | Low | 90 Ų | 90 | 103.2 Ų | 103.2 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77 | -36.9 | -179.1 | 40.4 | 0 | 0 | 0 | 0 | 113.3 | A11 V12 | T8-A11 PolarHBondContact O-N 3.3Å; T8-V12 PolarHBondContact O-N 3.43Å |
| 9 | L | 52.8 | Low | 53.1 | Low | 135 Ų | 135 | 108 Ų | 108 | 71% | 0.707 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.9 | -37.7 | 176.6 | -81.2 | 90.5 | 0 | 0 | 0 | 112.5 | A11 V12 G13 | L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 3.36Å; L9-V12 PolarHBondContact O-N 3.41Å; L9-G13 PolarHBondContact O-N 3.39Å; L9-G13 VanDerWaalsContact O-N 3.12Å |
| 10 | L | 52.6 | Low | 53.2 | Low | 107 Ų | 107 | 110.6 Ų | 110.6 | 56% | 0.56 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.2 | -32.3 | 178.5 | -90.2 | 162.1 | 0 | 0 | 0 | 113.2 | M7 | M7-L10 HydrophobicContact CE-CD1 3.85Å |
| 11 | A | 55.3 | Low | 53.2 | Low | 60 Ų | 60 | 109.1 Ų | 109.1 | 50% | 0.496 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.6 | -45.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | T8 L9 G13 L14 C15 | T8-A11 PolarHBondContact O-N 3.3Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 3.36Å; A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.28Å; A11-L14 PolarHBondContact O-N 3.39Å; A11-C15 PolarHBondContact O-N 3.48Å |
| 12 | V | 56.1 | Low | 53.1 | Low | 93 Ų | 93 | 107.7 Ų | 107.7 | 56% | 0.564 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66 | -36.9 | -178.7 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | T8 L9 L14 L16 | T8-V12 PolarHBondContact O-N 3.43Å; L9-V12 PolarHBondContact O-N 3.41Å; V12-L14 PolarHBondContact O-N 3.38Å; V12-L16 HydrophobicContact CG1-CD1 4.28Å |
| 13 | G | 56.9 | Low | 53 | Low | 50 Ų | 50 | 105.8 Ų | 105.8 | 52% | 0.515 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64 | -21.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L9 A11 | L9-G13 PolarHBondContact O-N 3.39Å; L9-G13 VanDerWaalsContact O-N 3.12Å; A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.28Å |
| 14 | L | 55.8 | Low | 53 | Low | 119 Ų | 119 | 105.1 Ų | 105.1 | 62% | 0.623 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -101.1 | -25.2 | -178.6 | -74.9 | 167.4 | 0 | 0 | 0 | 114 | A11 V12 P17 | A11-L14 PolarHBondContact O-N 3.39Å; V12-L14 PolarHBondContact O-N 3.38Å; L14-P17 WeakPolarHBondContact O-CD 3.48Å |
| 15 | C | 55.2 | Low | 52.8 | Low | 82 Ų | 82 | 102.9 Ų | 102.9 | 55% | 0.554 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.1 | -32.7 | -179.8 | -69.1 | 0 | 0 | 0 | 0 | 113.8 | A11 L18 W19 | A11-C15 PolarHBondContact O-N 3.48Å; C15-L18 PolarHBondContact O-N 3.48Å; C15-W19 PolarHBondContact O-N 3.4Å; C15-W19 VanDerWaalsContact O-N 3.15Å |
| 16 | L | 56.7 | Low | 52.8 | Low | 107 Ų | 107 | 108.5 Ų | 108.5 | 56% | 0.56 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.7 | -49.7 | -179 | -81.4 | 162.2 | 0 | 0 | 0 | 114.7 | V12 L18 W19 F20 | V12-L16 HydrophobicContact CG1-CD1 4.28Å; L16-L18 PolarHBondContact O-N 3.44Å; L16-W19 PolarHBondContact O-N 3.12Å; L16-F20 PolarHBondContact O-N 3.38Å |
| 17 | P | 55.3 | Low | 52.6 | Low | 72 Ų | 72 | 109.6 Ų | 109.6 | 47% | 0.468 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.3 | -36.9 | 177.5 | 24.7 | -33.9 | 0 | 0 | 0 | 112.7 | L14 W19 F20 S21 | L14-P17 WeakPolarHBondContact O-CD 3.48Å; P17-W19 VanDerWaalsContact C-N 3.32Å; P17-W19 PolarHBondContact O-N 3.24Å; P17-F20 PolarHBondContact O-N 3.5Å; P17-S21 PolarHBondContact O-N 3.24Å; P17-S21 PolarHBondContact O-OG 3.33Å |
| 18 | L | 55.7 | Low | 52.3 | Low | 121 Ų | 121 | 108 Ų | 108 | 63% | 0.634 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.3 | -33.9 | 179.9 | -79.7 | 168.3 | 0 | 0 | 0 | 113 | C15 L16 L22 | C15-L18 PolarHBondContact O-N 3.48Å; L16-L18 PolarHBondContact O-N 3.44Å; L18-L22 PolarHBondContact O-N 3.36Å |
| 19 | W | 54.8 | Low | 51.4 | Low | 195 Ų | 195 | 113.2 Ų | 113.2 | 74% | 0.739 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.1 | -40.6 | 174.6 | -117.1 | -5.4 | 0 | 0 | 0 | 112.3 | C15 L16 P17 S21 L22 C23 | C15-W19 PolarHBondContact O-N 3.4Å; C15-W19 VanDerWaalsContact O-N 3.15Å; L16-W19 PolarHBondContact O-N 3.12Å; P17-W19 VanDerWaalsContact C-N 3.32Å; P17-W19 PolarHBondContact O-N 3.24Å; W19-S21 VanDerWaalsContact C-N 3.32Å; W19-S21 PolarHBondContact O-N 3.34Å; W19-L22 PolarHBondContact O-N 3.38Å; W19-L22 VanDerWaalsContact O-N 3.1Å; W19-C23 PolarHBondContact O-N 3.15Å |
| 20 | F | 53.5 | Low | 50.6 | Low | 160 Ų | 160 | 114.8 Ų | 114.8 | 70% | 0.702 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62 | -38.2 | 175.6 | -108.6 | -90.4 | 0 | 0 | 0 | 112.6 | L16 P17 L22 | L16-F20 PolarHBondContact O-N 3.38Å; P17-F20 PolarHBondContact O-N 3.5Å; F20-L22 VanDerWaalsContact C-N 3.31Å; F20-L22 PolarHBondContact O-N 3.1Å |
| 21 | S | 53.2 | Low | 49.5 | Very low | 80 Ų | 80 | 117 Ų | 117 | 56% | 0.559 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.4 | -29.3 | 173.5 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | P17 W19 | P17-S21 PolarHBondContact O-N 3.24Å; P17-S21 PolarHBondContact O-OG 3.33Å; W19-S21 VanDerWaalsContact C-N 3.32Å; W19-S21 PolarHBondContact O-N 3.34Å |
| 22 | L | 50.4 | Low | 48.4 | Very low | 117 Ų | 117 | 118.6 Ų | 118.6 | 61% | 0.613 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.7 | -41.2 | 179.9 | -128.8 | 74.3 | 0 | 0 | 0 | 112.3 | L18 W19 F20 L24 A25 | L18-L22 PolarHBondContact O-N 3.36Å; W19-L22 PolarHBondContact O-N 3.38Å; W19-L22 VanDerWaalsContact O-N 3.1Å; F20-L22 VanDerWaalsContact C-N 3.31Å; F20-L22 PolarHBondContact O-N 3.1Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.28Å; L22-A25 PolarHBondContact O-N 3.46Å |
| 23 | C | 48 | Very low | 47.2 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 66% | 0.655 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -68.7 | -27.8 | -178.7 | -67.3 | 0 | 0 | 0 | 0 | 113.6 | W19 A25 | W19-C23 PolarHBondContact O-N 3.15Å; C23-A25 VanDerWaalsContact C-N 3.27Å; C23-A25 PolarHBondContact O-N 3.22Å |
| 24 | L | 48.5 | Very low | 46 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 72% | 0.723 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -4.6 | 176.7 | -72.7 | 168 | 0 | 0 | 0 | 113.9 | L22 | L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.28Å |
| 25 | A | 44.7 | Very low | 44.5 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 60% | 0.595 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 3.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L22 C23 | L22-A25 PolarHBondContact O-N 3.46Å; C23-A25 VanDerWaalsContact C-N 3.27Å; C23-A25 PolarHBondContact O-N 3.22Å |
| 26 | Q | 47.9 | Very low | 43.3 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -115.9 | -3.4 | -174.2 | -69.3 | -168.2 | -42 | 0 | 0 | 115.4 | S28 | Q26-S28 VanDerWaalsContact C-N 3.31Å; Q26-S28 PolarHBondContact O-N 3.42Å |
| 27 | S | 46.8 | Very low | 42.5 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -89.7 | 42.8 | -177.8 | 64.2 | 0 | 0 | 0 | 0 | 114 | | |
| 28 | S | 42.4 | Very low | 41 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -155.1 | 46.9 | -177.1 | 70.2 | 0 | 0 | 0 | 0 | 114.7 | Q26 | Q26-S28 VanDerWaalsContact C-N 3.31Å; Q26-S28 PolarHBondContact O-N 3.42Å |
| 29 | F | 37.4 | Very low | 39.8 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | | | trans | -149.4 | 152.9 | 165.6 | -123.5 | -87.4 | 0 | 0 | 0 | 111.5 | | |
| 30 | L | 34.6 | Very low | 38.7 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 88% | 0.88 | 76% | 0.759 | S | S | * | * | | | trans | 78.2 | 74.1 | -172.6 | -55.2 | -178.6 | 0 | 0 | 0 | 116 | | |
| 31 | D | 30.4 | Very low | 37.6 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | | | trans | -121.4 | 157.3 | 144.1 | -153.4 | -27.4 | 0 | 0 | 0 | 108.4 | | |
| 32 | S | 32.7 | Very low | 36.4 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | | | trans | 62.1 | 94.4 | 173.9 | -63.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 33 | F | 30.7 | Very low | 35.5 | Very low | 212 Ų | 212 | 137.8 Ų | 137.8 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | | | trans | -149.1 | 94.7 | 135.9 | -93.7 | -66.3 | 0 | 0 | 0 | 112 | | |
| 34 | L | 30.7 | Very low | 34.8 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | 2.2 | 147.6 | 148.9 | -52.1 | 174.4 | 0 | 0 | 0 | 118.9 | | |
| 35 | S | 25.5 | Very low | 34 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | cis | -163.9 | 173.6 | 14.6 | -133.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 36 | F | 29.1 | Very low | 33.4 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | | | trans | -65 | 168.7 | 170.9 | -81.3 | -75.1 | 0 | 0 | 0 | 113.7 | | |
| 37 | P | 39.3 | Very low | 32.4 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | cis | -153 | -179.7 | 36.2 | 45.3 | -24.1 | 0 | 0 | 0 | 121.3 | | |
| 38 | A | 25.7 | Very low | 31.6 | Very low | 94 Ų | 94 | 153.2 Ų | 153.2 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | 96.3 | 131.6 | 141.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 39 | A | 29.1 | Very low | 30.7 | Very low | 95 Ų | 95 | 158.6 Ų | 158.6 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | 93.8 | 74.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 40 | L | 32.7 | Very low | 30.5 | Very low | 184 Ų | 184 | 156.1 Ų | 156.1 | 96% | 0.963 | 80% | 0.799 | S | S | * | * | | | | -160.8 | 146.9 | 110.7 | -105.5 | 163.5 | 0 | 0 | 0 | 110.9 | | |
| 41 | R | 29.8 | Very low | 30.7 | Very low | 210 Ų | 210 | 153.1 Ų | 153.1 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -154.1 | 124.8 | -166.3 | 175.8 | -169.9 | 176.4 | -175.5 | 0.6 | 113.2 | | |
| 42 | S | 27.2 | Very low | 30.5 | Very low | 109 Ų | 109 | 151.1 Ų | 151.1 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -174.3 | 136.2 | 144.8 | -147.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 43 | Q | 33.3 | Very low | 30.3 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 54% | 0.537 | 79% | 0.793 | S | S | . | * | | | cis | 55.3 | 130.1 | 48.6 | -71.1 | -179.9 | -108.7 | 0 | 0 | 111.9 | | |
| 44 | E | 33.1 | Very low | 30.4 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | | | cis | -150.8 | 178.4 | 9.7 | -119.5 | 165.4 | 71.3 | 0 | 0 | 108 | | |
| 45 | Q | 30.1 | Very low | 30.3 | Very low | 157 Ų | 157 | 149 Ų | 149 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | cis | -158.5 | 171.4 | 28.5 | -147.7 | 160.4 | 59.6 | 0 | 0 | 112.5 | | |
| 46 | Q | 33.1 | Very low | 30.8 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | -83.1 | 159.5 | -179.6 | -57 | 165.9 | -36.6 | 0 | 0 | 113.8 | | |
| 47 | K | 26.4 | Very low | 31.3 | Very low | 202 Ų | 202 | 145 Ų | 145 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | | | | -167.2 | 147.7 | 126.5 | -102 | 147.6 | -169.5 | 171.7 | 0 | 113.1 | | |
| 48 | R | 31 | Very low | 31.2 | Very low | 236 Ų | 236 | 145.2 Ų | 145.2 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | trans | -86.9 | 152.1 | 166.4 | -67.4 | 171.4 | 167.1 | 169.4 | -6.1 | 109.4 | | |
| 49 | F | 23.6 | Very low | 31.8 | Very low | 208 Ų | 208 | 146.3 Ų | 146.3 | 91% | 0.912 | 78% | 0.779 | S | S | * | * | | | trans | -169 | 158.4 | 136.1 | -116.6 | -80.6 | 0 | 0 | 0 | 111.7 | | |
| 50 | N | 32.8 | Very low | 32.4 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | trans | -146.9 | 152.6 | 169.1 | -113.4 | -12.9 | 0 | 0 | 0 | 105 | | |
| 51 | P | 39.5 | Very low | 32.9 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | | | cis | -141.4 | -151.1 | 18.3 | 40 | -17.4 | 0 | 0 | 0 | 113.5 | | |
| 52 | C | 25.7 | Very low | 33.1 | Very low | 112 Ų | 112 | 141 Ų | 141 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | trans | 81 | 124.5 | 159.2 | -72.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 53 | C | 28.8 | Very low | 33.3 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | 36.1 | 128.2 | 144.3 | -56.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 54 | L | 31.1 | Very low | 33.8 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | | -169.9 | 136.5 | 111 | -96.7 | 170.1 | 0 | 0 | 0 | 112.4 | | |
| 55 | L | 30.4 | Very low | 34.4 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | 64.6 | 110.1 | 148.6 | -65.1 | 163.1 | 0 | 0 | 0 | 122.6 | | |
| 56 | S | 34.1 | Very low | 35 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | | 81.6 | 120.4 | 128.1 | -54.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 57 | P | 39.7 | Very low | 35.8 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 162.3 | 164.2 | 34.7 | -34.4 | 0 | 0 | 0 | 113 | | |
| 58 | P | 38.8 | Very low | 36.1 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80 | 158.7 | -175.9 | 32.5 | -36.6 | 0 | 0 | 0 | 114.6 | | |
| 59 | P | 38.5 | Very low | 36.1 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 157.4 | -175.8 | 34.6 | -36.8 | 0 | 0 | 0 | 114.4 | | |
| 60 | P | 41.7 | Very low | 36.7 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 152.8 | 172.5 | 34.1 | -35.2 | 0 | 0 | 0 | 112.9 | | |
| 61 | P | 42.3 | Very low | 36.6 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 158.3 | 174.5 | 31.9 | -35.2 | 0 | 0 | 0 | 113 | | |
| 62 | L | 33.1 | Very low | 36 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -132 | 147.4 | -170.4 | -75.1 | 166.9 | 0 | 0 | 0 | 113.9 | | |
| 63 | F | 33.3 | Very low | 36.3 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | | | trans | 77.2 | 148.6 | 159.3 | -63.4 | -61.1 | 0 | 0 | 0 | 122.6 | | |
| 64 | P | 43.3 | Very low | 36.4 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | | | trans | -108.4 | -160 | 177.8 | 46.8 | -38.5 | 0 | 0 | 0 | 111.8 | | |
| 65 | P | 45.8 | Very low | 36.4 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | cis | -116.5 | -113.7 | -8.4 | 35.3 | -12 | 0 | 0 | 0 | 111.5 | | |
| 66 | P | 42.8 | Very low | 36.4 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | | | cis | -116.1 | 179.2 | -1.5 | 43.7 | -30 | 0 | 0 | 0 | 115.5 | | |
| 67 | P | 48.3 | Very low | 36.3 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -114.7 | 164.5 | -172.2 | 41.3 | -33.4 | 0 | 0 | 0 | 117.4 | | |
| 68 | S | 32.9 | Very low | 35.9 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | trans | -154 | 137.1 | 155.3 | 52 | 0 | 0 | 0 | 0 | 109.1 | | |
| 69 | L | 32.7 | Very low | 35.6 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | | | cis | 73.9 | 100.2 | 36.7 | -75.9 | 177 | 0 | 0 | 0 | 116.4 | | |
| 70 | W | 34.8 | Very low | 35.2 | Very low | 203 Ų | 203 | 138.1 Ų | 138.1 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | trans | -157.5 | 112.6 | 130.9 | -82 | 92.6 | 0 | 0 | 0 | 107.1 | | |
| 71 | R | 31.9 | Very low | 34.7 | Very low | 160 Ų | 160 | 144 Ų | 144 | 60% | 0.604 | 75% | 0.752 | S | S | * | * | | | | 77.3 | 115.6 | 76.2 | -158.7 | -166.8 | -57.9 | -152.3 | 7.7 | 112.4 | | |
| 72 | R | 26.5 | Very low | 34.1 | Very low | 216 Ų | 216 | 149.5 Ų | 149.5 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | | | | -159.7 | 133.5 | 83.1 | -88.5 | 178 | -166.6 | -125.2 | 0.5 | 112 | | |
| 73 | H | 31.7 | Very low | 33.9 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 65% | 0.648 | 76% | 0.76 | S | S | * | * | | | | 63.9 | 143.6 | 97.9 | -77 | -99.9 | 0 | 0 | 0 | 113.8 | | |
| 74 | T | 30.4 | Very low | 33.7 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | | | cis | -172.5 | 148.3 | 34.4 | 2.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 75 | L | 32.4 | Very low | 33.1 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | | | cis | -147.4 | 155.9 | 1.9 | -68.9 | 172.8 | 0 | 0 | 0 | 108 | | |
| 76 | E | 29.3 | Very low | 32.4 | Very low | 155 Ų | 155 | 147 Ų | 147 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | | 66 | 150.1 | 97.7 | -55.8 | 170 | 175.7 | 0 | 0 | 117.3 | | |
| 77 | E | 32.1 | Very low | 31.7 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | cis | -161.3 | 166.2 | -11.6 | -117.7 | -168.9 | 178.5 | 0 | 0 | 107.6 | | |
| 78 | D | 31.2 | Very low | 31.2 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | cis | -130.6 | -99.2 | -15.4 | 173.9 | 25.1 | 0 | 0 | 0 | 107.8 | | |
| 79 | G | 32 | Very low | 31.2 | Very low | 59 Ų | 59 | 152.4 Ų | 152.4 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | | | cis | 176.9 | 153.5 | -16 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 80 | S | 31.4 | Very low | 31.4 | Very low | 109 Ų | 109 | 151 Ų | 151 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | trans | -156.7 | 123.1 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 115 | | |
| 81 | R | 31.1 | Very low | 31.5 | Very low | 228 Ų | 228 | 151.6 Ų | 151.6 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | 174.1 | 140.6 | 132.6 | -95.3 | 153.4 | -175.4 | -167.6 | 2.5 | 114.6 | | |
| 82 | R | 29.2 | Very low | 31.6 | Very low | 248 Ų | 248 | 147.8 Ų | 147.8 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | | | trans | 44.3 | 115.1 | 147.2 | -61.4 | -179.4 | 177.9 | -178.9 | -1.4 | 119.6 | | |
| 83 | G | 29.2 | Very low | 31.9 | Very low | 80 Ų | 80 | 143 Ų | 143 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | -159.3 | 151.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 84 | N | 28.7 | Very low | 32.1 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | | | trans | -88.3 | 163.6 | -169 | -110.2 | 16.7 | 0 | 0 | 0 | 115 | | |
| 85 | E | 30.7 | Very low | 32.4 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | | | trans | 81.9 | 142.5 | 141.4 | -80 | 165.1 | 132.7 | 0 | 0 | 124.5 | | |
| 86 | S | 30.3 | Very low | 32.8 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | 46.6 | 92.8 | 156 | 55.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 87 | G | 29.4 | Very low | 33.7 | Very low | 74 Ų | 74 | 142.8 Ų | 142.8 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | trans | -81.2 | -164.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 88 | H | 36.3 | Very low | 34.5 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | | | trans | -152.3 | 172.6 | 155.1 | -128.5 | -112.4 | 0 | 0 | 0 | 111 | | |
| 89 | K | 34.7 | Very low | 35.6 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | | | trans | -87.1 | 141.8 | -165.2 | -58.8 | 164.9 | -179.4 | 166.7 | 0 | 114.7 | | |
| 90 | S | 36.3 | Very low | 37.2 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | | | trans | -153.5 | 146.3 | 141.9 | 54.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 91 | K | 36.4 | Very low | 38.4 | Very low | 214 Ų | 214 | 137.6 Ų | 137.6 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | | | trans | -118.7 | 146.4 | 179.3 | -80.5 | -172.8 | 174.9 | -175.3 | 0 | 110.9 | | |
| 92 | G | 33.8 | Very low | 39.7 | Very low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | 78.9 | 164.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 93 | S | 34.3 | Very low | 41.5 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | cis | -145.7 | 158.1 | -3.5 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 94 | A | 35.6 | Very low | 42.8 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 141.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 95 | C | 36.7 | Very low | 44.2 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 90% | 0.899 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 133.5 | 171.9 | -65.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 96 | A | 41.2 | Very low | 45.9 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 159.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 97 | Q | 47.8 | Very low | 47.1 | Very low | 196 Ų | 196 | 120 Ų | 120 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 147.9 | 168 | -102.8 | 172.8 | -11 | 0 | 0 | 111.3 | | |
| 98 | G | 48.7 | Very low | 48.3 | Very low | 63 Ų | 63 | 122.6 Ų | 122.6 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67 | 155 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 99 | P | 54.3 | Low | 49.4 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 148.9 | -179.1 | 28.3 | -35.2 | 0 | 0 | 0 | 111.9 | | |
| 100 | P | 64.3 | Low | 50.3 | Low | 128 Ų | 128 | 120.1 Ų | 120.1 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 149.1 | 171.6 | -23.9 | 34.4 | 0 | 0 | 0 | 112.5 | | |
| 101 | G | 56.7 | Low | 50.8 | Low | 65 Ų | 65 | 121.2 Ų | 121.2 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 155.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 102 | P | 58.7 | Low | 52 | Low | 133 Ų | 133 | 121 Ų | 121 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 144.9 | 180 | 27.1 | -35 | 0 | 0 | 0 | 111.5 | | |
| 103 | A | 67.6 | Low | 53 | Low | 101 Ų | 101 | 119.8 Ų | 119.8 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 144.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 104 | G | 56.8 | Low | 53.9 | Low | 64 Ų | 64 | 120 Ų | 120 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 156.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 105 | P | 57.6 | Low | 55.4 | Low | 123 Ų | 123 | 121.3 Ų | 121.3 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 148 | 179.1 | 27.3 | -34.9 | 0 | 0 | 0 | 111.3 | | |
| 106 | P | 67.4 | Low | 56.2 | Low | 127 Ų | 127 | 118.4 Ų | 118.4 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 143 | 174.2 | -24.8 | 34.5 | 0 | 0 | 0 | 112.3 | | |
| 107 | G | 54.3 | Low | 56.6 | Low | 64 Ų | 64 | 123.3 Ų | 123.3 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 153.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q109 | G107-Q109 PolarHBondContact O-N 3.39Š|
| 108 | P | 55.8 | Low | 57.3 | Low | 129 Ų | 129 | 119.8 Ų | 119.8 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 132.2 | 179 | 26.7 | -34.3 | 0 | 0 | 0 | 110.7 | | |
| 109 | Q | 59.2 | Low | 57.2 | Low | 174 Ų | 174 | 120.4 Ų | 120.4 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 137 | -177.1 | -174.7 | 174.9 | -6.1 | 0 | 0 | 111.6 | G107 N111 | G107-Q109 PolarHBondContact O-N 3.39Å; Q109-N111 VanDerWaalsContact C-N 3.33Å; Q109-N111 PolarHBondContact O-N 3.48Å |
| 110 | D | 54.1 | Low | 56.8 | Low | 162 Ų | 162 | 123.3 Ų | 123.3 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | trans | -66.1 | 81.4 | -177.7 | -69.2 | -64.8 | 0 | 0 | 0 | 113.4 | K112 | D110-K112 PolarHBondContact O-N 3.39Š|
| 111 | N | 46.4 | Very low | 56.3 | Low | 148 Ų | 148 | 128.9 Ų | 128.9 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -68.1 | 98.3 | 166.8 | -78.4 | -40.3 | 0 | 0 | 0 | 109.5 | Q109 G113 | Q109-N111 VanDerWaalsContact C-N 3.33Å; Q109-N111 PolarHBondContact O-N 3.48Å; N111-G113 PolarHBondContact O-N 3.26Å |
| 112 | K | 61.7 | Low | 55.7 | Low | 208 Ų | 208 | 128.5 Ų | 128.5 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | | | trans | -50.6 | 113.6 | 175.1 | -155.9 | 176.1 | -167.4 | 176.5 | 0 | 109.6 | D110 | D110-K112 PolarHBondContact O-N 3.39Š|
| 113 | G | 53.8 | Low | 55 | Low | 56 Ų | 56 | 128.4 Ų | 128.4 | 58% | 0.577 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58 | 152.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N111 | N111-G113 PolarHBondContact O-N 3.26Š|
| 114 | P | 54.5 | Low | 54.1 | Low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 147.4 | 179.1 | 26.5 | -34.8 | 0 | 0 | 0 | 110.8 | G116 | P114-G116 PolarHBondContact O-N 3.27Š|
| 115 | P | 65.8 | Low | 53.4 | Low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 130.2 | 175.6 | -25.3 | 34.6 | 0 | 0 | 0 | 111.4 | | |
| 116 | G | 54.2 | Low | 52.7 | Low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 139.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P114 | P114-G116 PolarHBondContact O-N 3.27Š|
| 117 | F | 49.8 | Very low | 51.7 | Low | 203 Ų | 203 | 140.7 Ų | 140.7 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142.2 | 177.7 | -70.1 | -81.8 | 0 | 0 | 0 | 111.2 | G119 | F117-G119 PolarHBondContact O-N 3.06Š|
| 118 | P | 62.3 | Low | 51 | Low | 121 Ų | 121 | 140.9 Ų | 140.9 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 126.5 | 174 | -25.8 | 34.8 | 0 | 0 | 0 | 111.1 | M120 | P118-M120 PolarHBondContact O-N 2.71Š|
| 119 | G | 45.5 | Very low | 50.3 | Low | 77 Ų | 77 | 143.8 Ų | 143.8 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 129.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F117 R121 | F117-G119 PolarHBondContact O-N 3.06Å; G119-R121 PolarHBondContact O-N 3.43Å |
| 120 | M | 45.8 | Very low | 49.5 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 130.4 | 178.5 | -67.8 | 179.6 | 68.3 | 0 | 0 | 110 | P118 G122 | P118-M120 PolarHBondContact O-N 2.71Å; M120-G122 PolarHBondContact O-N 2.83Å |
| 121 | R | 54.5 | Low | 48.8 | Very low | 245 Ų | 245 | 139 Ų | 139 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 117.3 | 174.3 | 178.2 | 178.4 | -72.8 | -177 | -2.7 | 108.4 | G119 | G119-R121 PolarHBondContact O-N 3.43Š|
| 122 | G | 43.2 | Very low | 48.4 | Very low | 56 Ų | 56 | 143 Ų | 143 | 58% | 0.577 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 150.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M120 | M120-G122 PolarHBondContact O-N 2.83Š|
| 123 | P | 44.4 | Very low | 47.8 | Very low | 131 Ų | 131 | 139 Ų | 139 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 144.9 | -180 | 25.8 | -34.4 | 0 | 0 | 0 | 110.6 | G125 | P123-G125 PolarHBondContact O-N 3.4Å; P123-G125 VanDerWaalsContact O-N 3.1Å |
| 124 | K | 48.9 | Very low | 47.3 | Very low | 205 Ų | 205 | 140 Ų | 140 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | | | trans | -61.4 | 115.9 | 174 | -178.4 | -177.2 | 179.2 | -177.6 | 0 | 108.3 | E126 | K124-E126 PolarHBondContact O-N 3.44Š|
| 125 | G | 42.3 | Very low | 46.5 | Very low | 67 Ų | 67 | 143.6 Ų | 143.6 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | | | trans | -51.1 | 135.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P123 | P123-G125 PolarHBondContact O-N 3.4Å; P123-G125 VanDerWaalsContact O-N 3.1Å |
| 126 | E | 43.6 | Very low | 45.6 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | | | trans | -66.7 | 150.1 | -177.1 | -61.8 | -170 | 135.4 | 0 | 0 | 111.3 | K124 G128 | K124-E126 PolarHBondContact O-N 3.44Å; E126-G128 PolarHBondContact O-N 3.45Å; E126-G128 VanDerWaalsContact O-N 3.11Å |
| 127 | K | 45.5 | Very low | 45.3 | Very low | 208 Ų | 208 | 147.1 Ų | 147.1 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | | | trans | -73.2 | 107 | 178.3 | -177 | -175.6 | 176.7 | -174.1 | 0 | 108.4 | | |
| 128 | G | 40.1 | Very low | 44.9 | Very low | 68 Ų | 68 | 149.4 Ų | 149.4 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 139.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E126 | E126-G128 PolarHBondContact O-N 3.45Å; E126-G128 VanDerWaalsContact O-N 3.11Å |
| 129 | E | 40.6 | Very low | 44.7 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 151.1 | -177.7 | -62.3 | -164.3 | 136.2 | 0 | 0 | 112.3 | G131 | E129-G131 PolarHBondContact O-N 3.25Š|
| 130 | I | 43 | Very low | 45 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71 | 117.6 | 174.9 | -60.9 | 175.7 | 0 | 0 | 0 | 108.3 | R132 | I130-R132 PolarHBondContact O-N 3.26Š|
| 131 | G | 38.6 | Very low | 45.1 | Very low | 68 Ų | 68 | 146.3 Ų | 146.3 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 134.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E129 | E129-G131 PolarHBondContact O-N 3.25Š|
| 132 | R | 38.9 | Very low | 45.4 | Very low | 232 Ų | 232 | 140.7 Ų | 140.7 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 142.1 | -178.8 | -63.5 | -176.8 | -177.7 | -171.8 | 0.7 | 110.7 | I130 G134 | I130-R132 PolarHBondContact O-N 3.26Å; R132-G134 PolarHBondContact O-N 3.42Å |
| 133 | P | 47.8 | Very low | 45.8 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 134 | 176.5 | -26.5 | 35 | 0 | 0 | 0 | 112.4 | | |
| 134 | G | 43.5 | Very low | 45.8 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 143.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R132 | R132-G134 PolarHBondContact O-N 3.42Š|
| 135 | Q | 38.9 | Very low | 46.4 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 139.7 | 176.9 | -68.5 | -169.8 | 4.3 | 0 | 0 | 111 | G137 | Q135-G137 PolarHBondContact O-N 2.87Š|
| 136 | K | 47.2 | Very low | 46.9 | Very low | 209 Ų | 209 | 139.7 Ų | 139.7 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 126.6 | 178.5 | -170.1 | 175.2 | -177.2 | 178.1 | 0 | 110 | | |
| 137 | G | 47 | Very low | 47 | Very low | 66 Ų | 66 | 139.8 Ų | 139.8 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 145.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q135 | Q135-G137 PolarHBondContact O-N 2.87Š|
| 138 | R | 41.4 | Very low | 47.4 | Very low | 251 Ų | 251 | 139 Ų | 139 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 137.3 | 177.4 | -71.4 | -177.7 | 172.6 | -176 | -2.6 | 110.4 | G140 | R138-G140 PolarHBondContact O-N 3.1Š|
| 139 | T | 58.3 | Low | 48.1 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 135.2 | 171.8 | -44 | 0 | 0 | 0 | 0 | 110 | | |
| 140 | G | 50.5 | Low | 48.4 | Very low | 54 Ų | 54 | 135.7 Ų | 135.7 | 56% | 0.557 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 158.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R138 | R138-G140 PolarHBondContact O-N 3.1Š|
| 141 | P | 48 | Very low | 49.1 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 151.6 | 176.9 | 28.3 | -35 | 0 | 0 | 0 | 111.2 | | |
| 142 | P | 61.4 | Low | 49.9 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 141.7 | 172.3 | -23.5 | 34.2 | 0 | 0 | 0 | 111.8 | | |
| 143 | G | 51.9 | Low | 50 | Low | 74 Ų | 74 | 133.1 Ų | 133.1 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 145.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 144 | L | 44.8 | Very low | 50.4 | Low | 167 Ų | 167 | 132.8 Ų | 132.8 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 144.7 | 178.1 | -67.4 | 172.8 | 0 | 0 | 0 | 111 | G146 | L144-G146 PolarHBondContact O-N 3.29Š|
| 145 | P | 60.2 | Low | 50.8 | Low | 122 Ų | 122 | 132.3 Ų | 132.3 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 131.4 | 172.4 | -23.7 | 34 | 0 | 0 | 0 | 111.3 | | |
| 146 | G | 53.1 | Low | 51.1 | Low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 137.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L144 | L144-G146 PolarHBondContact O-N 3.29Š|
| 147 | Q | 46 | Very low | 51.1 | Low | 197 Ų | 197 | 124.7 Ų | 124.7 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 142.8 | 178.2 | -72.4 | -170.6 | -4.9 | 0 | 0 | 111.1 | G149 | Q147-G149 PolarHBondContact O-N 3.43Š|
| 148 | Q | 54 | Low | 51.1 | Low | 192 Ų | 192 | 125.3 Ų | 125.3 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64 | 124.6 | 174.4 | -177.1 | 173.7 | -4.6 | 0 | 0 | 109.5 | | |
| 149 | G | 54 | Low | 51.1 | Low | 56 Ų | 56 | 121.1 Ų | 121.1 | 58% | 0.577 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59 | 148.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q147 | Q147-G149 PolarHBondContact O-N 3.43Š|
| 150 | P | 48.6 | Very low | 50.2 | Low | 131 Ų | 131 | 124.1 Ų | 124.1 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 148.3 | -178.2 | 25.8 | -34.8 | 0 | 0 | 0 | 111.4 | G152 | P150-G152 PolarHBondContact O-N 3.5Š|
| 151 | A | 57.8 | Low | 49.6 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 135 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 152 | G | 55.5 | Low | 49.2 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 135.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P150 | P150-G152 PolarHBondContact O-N 3.5Š|
| 153 | W | 40.6 | Very low | 47.9 | Very low | 246 Ų | 246 | 132.6 Ų | 132.6 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 143.5 | 177.8 | -68.2 | 83.6 | 0 | 0 | 0 | 111.1 | G155 | W153-G155 PolarHBondContact O-N 3.38Š|
| 154 | P | 55.1 | Low | 47.5 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 131.5 | 172.7 | -23.9 | 34.2 | 0 | 0 | 0 | 111.1 | | |
| 155 | G | 52.4 | Low | 46.9 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 147.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W153 | W153-G155 PolarHBondContact O-N 3.38Š|
| 156 | P | 45.1 | Very low | 46.5 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 152.1 | 177 | 27.3 | -34.8 | 0 | 0 | 0 | 111.2 | G158 | P156-G158 PolarHBondContact O-N 3.48Š|
| 157 | P | 48 | Very low | 45.7 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 130.6 | 171.5 | -23.1 | 34 | 0 | 0 | 0 | 110.9 | | |
| 158 | G | 45.6 | Very low | 45.5 | Very low | 78 Ų | 78 | 131.4 Ų | 131.4 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 137.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P156 | P156-G158 PolarHBondContact O-N 3.48Š|
| 159 | D | 42.5 | Very low | 44.8 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 155.9 | 179 | -74.1 | -59.5 | 0 | 0 | 0 | 113.7 | G161 | D159-G161 PolarHBondContact O-N 3.1Å; D159-G161 VanDerWaalsContact O-N 3.12Å |
| 160 | K | 38.9 | Very low | 44 | Very low | 205 Ų | 205 | 131 Ų | 131 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | | | trans | -74.7 | 101.3 | -175.6 | -172.8 | -179.8 | 179.6 | -175.8 | 0 | 110.4 | | |
| 161 | G | 38.5 | Very low | 43.4 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 137.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D159 | D159-G161 PolarHBondContact O-N 3.1Å; D159-G161 VanDerWaalsContact O-N 3.12Å |
| 162 | E | 38.2 | Very low | 43.2 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 168.8 | 173.5 | -61.5 | -165.2 | 128 | 0 | 0 | 112.5 | | |
| 163 | K | 35.4 | Very low | 42.4 | Very low | 209 Ų | 209 | 134 Ų | 134 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 116.7 | -174.7 | -175.3 | -172.2 | 176.8 | -165.7 | 0 | 110 | | |
| 164 | G | 43.3 | Very low | 42.2 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | | | trans | -89.9 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 165 | D | 32.4 | Very low | 41.8 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | | | trans | -137.3 | 165.6 | 177.7 | -94.2 | -49.8 | 0 | 0 | 0 | 111.4 | | |
| 166 | P | 51.1 | Low | 41.6 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | | | trans | -107.1 | 161.8 | -154 | 39.3 | -36.4 | 0 | 0 | 0 | 117.3 | | |
| 167 | G | 36.7 | Very low | 41.6 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | | | trans | -175.4 | 134.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 168 | L | 40.5 | Very low | 41.6 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | | | trans | -103.3 | 166.4 | 154 | -72.7 | 82.2 | 0 | 0 | 0 | 106.8 | | |
| 169 | M | 39.4 | Very low | 42 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 82% | 0.823 | 82% | 0.819 | S | S | * | * | | | cis | -161.9 | 159.2 | 30.8 | -179.1 | 177.1 | 65.1 | 0 | 0 | 110.3 | | |
| 170 | G | 38.5 | Very low | 42.1 | Very low | 72 Ų | 72 | 134.7 Ų | 134.7 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | | | trans | -154.5 | 153.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 171 | L | 35.7 | Very low | 42.5 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 82% | 0.817 | 83% | 0.825 | S | S | * | * | | | trans | -125.6 | 171.1 | -166.3 | -83.5 | 167.3 | 0 | 0 | 0 | 113.2 | | |
| 172 | P | 54 | Low | 42.6 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -109.7 | 170.6 | -143.6 | 41.6 | -39.1 | 0 | 0 | 0 | 117.8 | | |
| 173 | G | 38.4 | Very low | 42.4 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | trans | -173.6 | 157.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 174 | S | 37 | Very low | 43.3 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | cis | -150.6 | 177.7 | -5.3 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 175 | R | 45.1 | Very low | 43 | Very low | 235 Ų | 235 | 131.1 Ų | 131.1 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 125.7 | -173.7 | 177.3 | 175.9 | 177.9 | 172.1 | 0.7 | 112.6 | | |
| 176 | G | 49.7 | Very low | 43.1 | Very low | 56 Ų | 56 | 134.3 Ų | 134.3 | 58% | 0.577 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 153.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 177 | P | 45.1 | Very low | 42.4 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 90% | 0.903 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 164.4 | -171.6 | 31.3 | -36.5 | 0 | 0 | 0 | 114.4 | | |
| 178 | M | 47.4 | Very low | 42.7 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 132.9 | 179.5 | -174.5 | 174.1 | 71.7 | 0 | 0 | 111.5 | | |
| 179 | G | 54.9 | Low | 42.6 | Very low | 59 Ų | 59 | 139.2 Ų | 139.2 | 61% | 0.608 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 154.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 180 | P | 43.3 | Very low | 42.5 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 165.9 | -174.9 | 31.7 | -36.6 | 0 | 0 | 0 | 113.8 | | |
| 181 | R | 48.4 | Very low | 42.8 | Very low | 258 Ų | 258 | 141.3 Ų | 141.3 | 97% | 0.974 | 82% | 0.82 | S | S | * | * | | | trans | -124.1 | 128.1 | -176.8 | -174.7 | -176.6 | -174.1 | -176.9 | 2.9 | 112.1 | | |
| 182 | G | 39.7 | Very low | 43 | Very low | 62 Ų | 62 | 139.6 Ų | 139.6 | 64% | 0.639 | 82% | 0.821 | S | S | * | * | | | trans | 171.2 | 153.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 183 | L | 34.4 | Very low | 42.2 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | | | cis | -140 | 162.6 | -2.2 | -82.3 | 170.8 | 0 | 0 | 0 | 109.8 | | |
| 184 | P | 54 | Low | 42.3 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | | | trans | -92 | 150.9 | -172.6 | 35.6 | -35.3 | 0 | 0 | 0 | 115.1 | | |
| 185 | G | 37.6 | Very low | 42.5 | Very low | 65 Ų | 65 | 146.9 Ų | 146.9 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | | | trans | 168.2 | 149.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 186 | Y | 34.2 | Very low | 42.1 | Very low | 231 Ų | 231 | 147.6 Ų | 147.6 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | | | cis | -146 | 166.4 | -7.1 | -99.2 | -82.4 | 0 | 0 | 0 | 110.7 | | |
| 187 | K | 37.1 | Very low | 41.5 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 90% | 0.9 | 84% | 0.836 | S | S | * | * | | | trans | -55.7 | 141.1 | 167.6 | -172 | -175.8 | -170.5 | -179.1 | 0 | 110.6 | | |
| 188 | G | 42.5 | Very low | 41.5 | Very low | 67 Ų | 67 | 151.4 Ų | 151.4 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | | | cis | 158.7 | 166.3 | -0.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 189 | E | 38.2 | Very low | 40.9 | Very low | 206 Ų | 206 | 151.6 Ų | 151.6 | 96% | 0.963 | 84% | 0.84 | S | S | * | * | | | trans | -123.3 | 173 | -179.5 | -80.7 | -148.3 | 114 | 0 | 0 | 115.1 | | |
| 190 | K | 37.4 | Very low | 40.3 | Very low | 208 Ų | 208 | 152.2 Ų | 152.2 | 90% | 0.904 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 128.5 | -156.1 | -164.4 | 173.4 | -178 | 178.3 | 0 | 112.4 | | |
| 191 | G | 44.4 | Very low | 40 | Very low | 76 Ų | 76 | 153.9 Ų | 153.9 | 78% | 0.784 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 152.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 192 | S | 40.4 | Very low | 39.8 | Very low | 120 Ų | 120 | 153.5 Ų | 153.5 | 84% | 0.839 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 161.9 | 167.5 | 51.3 | 0 | 0 | 0 | 0 | 112 | | |
| 193 | R | 36.2 | Very low | 39.9 | Very low | 243 Ų | 243 | 153.6 Ų | 153.6 | 92% | 0.917 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 133.4 | -176.4 | -166.8 | 177.2 | -168.8 | 139.5 | -3.2 | 111.2 | | |
| 194 | G | 41.3 | Very low | 40.3 | Very low | 69 Ų | 69 | 153.5 Ų | 153.5 | 71% | 0.711 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 145.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 195 | D | 41 | Very low | 39.7 | Very low | 171 Ų | 171 | 157.9 Ų | 157.9 | 91% | 0.914 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 169.3 | 170.5 | -75.1 | -52.9 | 0 | 0 | 0 | 112.1 | | |
| 196 | R | 36.6 | Very low | 39.9 | Very low | 250 Ų | 250 | 158.3 Ų | 158.3 | 94% | 0.943 | 86% | 0.858 | S | S | * | * | | | trans | -119.1 | 115.6 | -150.3 | 177 | -177.6 | 173.1 | 170 | -1.8 | 114.8 | | |
| 197 | G | 37.2 | Very low | 40.5 | Very low | 78 Ų | 78 | 152.3 Ų | 152.3 | 80% | 0.804 | 86% | 0.856 | S | S | * | * | | | trans | 91.7 | 119.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 198 | E | 44.6 | Very low | 40.6 | Very low | 197 Ų | 197 | 151 Ų | 151 | 92% | 0.921 | 86% | 0.855 | S | S | * | * | | | trans | -94.2 | 133.7 | 166.6 | -123.1 | -176.5 | 170.5 | 0 | 0 | 110.5 | | |
| 199 | L | 35.7 | Very low | 40.4 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 95% | 0.953 | 86% | 0.857 | S | S | * | * | | | trans | -170.5 | 129.7 | 170.6 | -102.1 | 147 | 0 | 0 | 0 | 107.1 | | |
| 200 | G | 41.3 | Very low | 40.6 | Very low | 72 Ų | 72 | 150.7 Ų | 150.7 | 74% | 0.742 | 85% | 0.852 | S | S | * | * | | | cis | -154.4 | -148.8 | 2.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 201 | L | 37.7 | Very low | 41.3 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | | | trans | -93.6 | 134.5 | -155.7 | -70 | 162.4 | 0 | 0 | 0 | 117.1 | | |
| 202 | R | 43.9 | Very low | 41.4 | Very low | 251 Ų | 251 | 146.6 Ų | 146.6 | 95% | 0.947 | 85% | 0.848 | S | S | * | * | | | trans | 56.9 | 109.8 | 132 | -169.2 | 179.7 | -177.8 | 168.4 | 0.8 | 121.2 | | |
| 203 | G | 43.1 | Very low | 41.3 | Very low | 63 Ų | 63 | 149.8 Ų | 149.8 | 65% | 0.649 | 85% | 0.852 | S | S | * | * | | | trans | 170.6 | 142.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 204 | D | 42 | Very low | 41.6 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 90% | 0.904 | 85% | 0.852 | S | S | * | * | | | cis | -141.1 | 173.9 | -0.4 | -81 | -47.3 | 0 | 0 | 0 | 111.4 | G206 | D204-G206 PolarHBondContact O-N 3.44Š|
| 205 | K | 41.7 | Very low | 41.9 | Very low | 214 Ų | 214 | 146.4 Ų | 146.4 | 93% | 0.93 | 85% | 0.85 | S | S | * | * | | | trans | -92.1 | 95.6 | -173.9 | -170.5 | -171.9 | 175.5 | -175.4 | 0 | 113.9 | | |
| 206 | G | 42.3 | Very low | 42 | Very low | 75 Ų | 75 | 147.9 Ų | 147.9 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | | | trans | 96.8 | 130.1 | 142 | 0 | 0 | 0 | 0 | 0 | 117.6 | D204 | D204-G206 PolarHBondContact O-N 3.44Š|
| 207 | A | 47 | Very low | 42.4 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | | | trans | -129.6 | 146.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 208 | M | 37.9 | Very low | 43.1 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 88% | 0.882 | 84% | 0.84 | S | S | * | * | | | trans | -76.1 | 141.8 | 179.5 | -162 | 170.7 | -69.8 | 0 | 0 | 110.3 | | |
| 209 | G | 39.1 | Very low | 43.1 | Very low | 72 Ų | 72 | 144.9 Ų | 144.9 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | | | trans | -69.6 | 153 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 210 | F | 41.4 | Very low | 43.6 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | | | trans | -121.5 | 162.4 | 169.2 | -88 | -92.6 | 0 | 0 | 0 | 110.9 | | |
| 211 | P | 51.9 | Low | 44.2 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 77% | 0.766 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 153.5 | -164.3 | -27.9 | 36.9 | 0 | 0 | 0 | 116.2 | | |
| 212 | G | 46.5 | Very low | 44.8 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 213 | M | 38.4 | Very low | 45.1 | Very low | 186 Ų | 186 | 140 Ų | 140 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 155.2 | -175 | -71 | 174.7 | 61.5 | 0 | 0 | 113.6 | | |
| 214 | L | 42.9 | Very low | 45.5 | Very low | 176 Ų | 176 | 140 Ų | 140 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 139.4 | 175.2 | -172 | 66.8 | 0 | 0 | 0 | 111.9 | | |
| 215 | G | 48.3 | Very low | 46 | Very low | 65 Ų | 65 | 140.9 Ų | 140.9 | 67% | 0.67 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 156.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 216 | Q | 42.7 | Very low | 46.8 | Very low | 202 Ų | 202 | 136.7 Ų | 136.7 | 94% | 0.944 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 139.9 | 178.4 | -91.5 | -177.5 | -20 | 0 | 0 | 112.3 | G218 | Q216-G218 PolarHBondContact O-N 3.11Š|
| 217 | K | 44.9 | Very low | 47.2 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 117.9 | 178 | 176.9 | -178 | 176.2 | -175.8 | 0 | 110.7 | | |
| 218 | G | 52 | Low | 47.5 | Very low | 63 Ų | 63 | 140 Ų | 140 | 65% | 0.649 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 154.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q216 | Q216-G218 PolarHBondContact O-N 3.11Š|
| 219 | E | 44.5 | Very low | 47.9 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 153.4 | -179.3 | -62.5 | -174.2 | 124.8 | 0 | 0 | 112.3 | | |
| 220 | M | 45.9 | Very low | 48.1 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | | | trans | -90.4 | 113.9 | -167.7 | -173 | 156.6 | 58.2 | 0 | 0 | 111.4 | | |
| 221 | G | 54 | Low | 48.3 | Very low | 57 Ų | 57 | 136.3 Ų | 136.3 | 59% | 0.588 | 83% | 0.825 | S | S | * | * | | | trans | -62.7 | 158.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 222 | P | 51 | Low | 48.1 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | | | trans | -63 | 145.9 | -175.6 | 25.7 | -34.4 | 0 | 0 | 0 | 112.7 | G224 | P222-G224 PolarHBondContact O-N 3.45Š|
| 223 | K | 49.7 | Very low | 48.1 | Very low | 204 Ų | 204 | 142.2 Ų | 142.2 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | | | trans | -67.1 | 116 | -176.3 | 179.4 | -177.6 | 175.8 | -174.2 | 0 | 111.4 | | |
| 224 | G | 51.7 | Low | 48.5 | Very low | 62 Ų | 62 | 139.3 Ų | 139.3 | 64% | 0.639 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 157.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P222 | P222-G224 PolarHBondContact O-N 3.45Š|
| 225 | E | 51.3 | Low | 48.6 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 156.8 | -175.6 | -61.3 | -176.8 | 134.3 | 0 | 0 | 113 | G227 | E225-G227 PolarHBondContact O-N 3.2Š|
| 226 | P | 59.6 | Low | 48.7 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 126.7 | -177.1 | -20.4 | 33.7 | 0 | 0 | 0 | 113.1 | | |
| 227 | G | 50.8 | Low | 48.8 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 137.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | E225 | E225-G227 PolarHBondContact O-N 3.2Š|
| 228 | I | 52.7 | Low | 49.2 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 151.3 | 174 | 52.6 | 173.8 | 0 | 0 | 0 | 112.7 | | |
| 229 | S | 46 | Very low | 49.2 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 139.8 | -175.8 | -55.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 230 | G | 43.9 | Very low | 48.8 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 153.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 231 | N | 45.7 | Very low | 49 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 155.3 | 175.1 | -82.2 | -50 | 0 | 0 | 0 | 113 | | |
| 232 | R | 47.5 | Very low | 48.9 | Very low | 250 Ų | 250 | 140.8 Ų | 140.8 | 94% | 0.943 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 126.6 | -172.4 | -162.9 | 178.9 | -165.7 | 165.4 | 3.1 | 112.7 | | |
| 233 | G | 46.8 | Very low | 48.8 | Very low | 71 Ų | 71 | 144.2 Ų | 144.2 | 73% | 0.732 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 137.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 234 | P | 45.8 | Very low | 49.2 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 159.2 | 173.3 | 36.5 | -33 | 0 | 0 | 0 | 114.2 | | |
| 235 | T | 46.4 | Very low | 49.4 | Very low | 138 Ų | 138 | 144 Ų | 144 | 85% | 0.847 | 84% | 0.84 | S | S | * | * | | | trans | -39.1 | 134.2 | -176.4 | -44 | 0 | 0 | 0 | 0 | 117.1 | | |
| 236 | G | 49 | Very low | 49.5 | Very low | 72 Ų | 72 | 144.2 Ų | 144.2 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | | | trans | -67 | 162 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 237 | R | 46 | Very low | 49.5 | Very low | 237 Ų | 237 | 147.9 Ų | 147.9 | 89% | 0.894 | 84% | 0.844 | S | S | * | * | | | trans | -130.3 | 157 | -179 | -71.9 | -175.4 | 173.2 | -169.5 | -2.9 | 112.2 | | |
| 238 | P | 52.2 | Low | 49.8 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | | | trans | -68.7 | 144.4 | -170 | -20.7 | 34 | 0 | 0 | 0 | 114.6 | | |
| 239 | G | 52.1 | Low | 49.8 | Very low | 72 Ų | 72 | 146.9 Ų | 146.9 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | | | trans | -80.1 | 138.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 240 | K | 37.5 | Very low | 50.2 | Low | 211 Ų | 211 | 149.1 Ų | 149.1 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | | | trans | -172.3 | 150.8 | 163.2 | -91.4 | 137 | -173.7 | -177.8 | 0 | 105.6 | | |
| 241 | R | 49.7 | Very low | 50.7 | Low | 236 Ų | 236 | 148.6 Ų | 148.6 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | | | cis | -137.1 | 158.5 | -3.1 | -171.1 | -177.5 | -164.3 | 172 | 4.6 | 106.1 | K243 | R241-K243 PolarHBondContact O-N 3.24Š|
| 242 | G | 51 | Low | 51 | Low | 77 Ų | 77 | 150.4 Ų | 150.4 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 134.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 243 | K | 48.8 | Very low | 51.5 | Low | 207 Ų | 207 | 145 Ų | 145 | 90% | 0.9 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 140.6 | 176.9 | -68.3 | -176.4 | 178.7 | -179.3 | 0 | 109.9 | R241 | R241-K243 PolarHBondContact O-N 3.24Š|
| 244 | Q | 58.2 | Low | 51.9 | Low | 189 Ų | 189 | 144.1 Ų | 144.1 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 137.2 | 167.7 | -172.8 | 172.5 | 5.5 | 0 | 0 | 109.2 | | |
| 245 | G | 57 | Low | 52.1 | Low | 71 Ų | 71 | 144.4 Ų | 144.4 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -60 | 137.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 246 | Q | 52.9 | Low | 52.7 | Low | 194 Ų | 194 | 145.8 Ų | 145.8 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 140.2 | 173.8 | -69.3 | -178.5 | -10.5 | 0 | 0 | 109.6 | G248 | Q246-G248 PolarHBondContact O-N 2.94Š|
| 247 | K | 59.2 | Low | 53 | Low | 203 Ų | 203 | 145 Ų | 145 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 124.7 | 170.7 | -177.5 | -179.4 | 178.8 | -177.6 | 0 | 107.8 | | |
| 248 | G | 57.8 | Low | 53.4 | Low | 65 Ų | 65 | 140 Ų | 140 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 144.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q246 | Q246-G248 PolarHBondContact O-N 2.94Š|
| 249 | D | 52 | Low | 53.7 | Low | 163 Ų | 163 | 138.5 Ų | 138.5 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 142.6 | -178.3 | -67.2 | -59.7 | 0 | 0 | 0 | 112.2 | G251 | D249-G251 PolarHBondContact O-N 3.37Š|
| 250 | L | 54.1 | Low | 54 | Low | 169 Ų | 169 | 138.1 Ų | 138.1 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 124.2 | 176.7 | -166.9 | 71.9 | 0 | 0 | 0 | 109.5 | K252 | L250-K252 PolarHBondContact O-N 3.01Š|
| 251 | G | 55.3 | Low | 54.7 | Low | 66 Ų | 66 | 134.4 Ų | 134.4 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 131.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D249 T253 | D249-G251 PolarHBondContact O-N 3.37Å; G251-T253 PolarHBondContact O-N 2.9Å |
| 252 | K | 52.2 | Low | 55 | Low | 209 Ų | 209 | 131.9 Ų | 131.9 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 122.6 | -178.4 | -66 | -177.5 | 179.7 | -179.8 | 0 | 110.2 | L250 G254 | L250-K252 PolarHBondContact O-N 3.01Å; K252-G254 PolarHBondContact O-N 2.78Å |
| 253 | T | 57.3 | Low | 55 | Low | 137 Ų | 137 | 131.2 Ų | 131.2 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 131.1 | 174.1 | -45.5 | 0 | 0 | 0 | 0 | 110.2 | G251 | G251-T253 PolarHBondContact O-N 2.9Š|
| 254 | G | 55.6 | Low | 55.1 | Low | 51 Ų | 51 | 126.9 Ų | 126.9 | 53% | 0.526 | 79% | 0.791 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 152.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | K252 I256 | K252-G254 PolarHBondContact O-N 2.78Å; G254-I256 PolarHBondContact O-N 2.74Å |
| 255 | P | 50.6 | Low | 55 | Low | 132 Ų | 132 | 123.1 Ų | 123.1 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 134.8 | 178 | 26.7 | -34.1 | 0 | 0 | 0 | 110.7 | G257 | P255-G257 PolarHBondContact O-N 2.68Š|
| 256 | I | 57.3 | Low | 54.6 | Low | 168 Ų | 168 | 123.1 Ų | 123.1 | 86% | 0.862 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64 | 131 | 175.9 | -61.3 | 174.9 | 0 | 0 | 0 | 108.6 | G254 | G254-I256 PolarHBondContact O-N 2.74Š|
| 257 | G | 57.3 | Low | 54.3 | Low | 55 Ų | 55 | 122.9 Ų | 122.9 | 57% | 0.567 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 149.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P255 | P255-G257 PolarHBondContact O-N 2.68Š|
| 258 | P | 53.3 | Low | 54.3 | Low | 133 Ų | 133 | 119 Ų | 119 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 140.6 | 179.5 | 26.9 | -34.6 | 0 | 0 | 0 | 111.1 | | |
| 259 | A | 59.4 | Low | 53.7 | Low | 100 Ų | 100 | 118.9 Ų | 118.9 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 140.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 260 | G | 57.1 | Low | 53.5 | Low | 65 Ų | 65 | 117.2 Ų | 117.2 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 150.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q262 | G260-Q262 PolarHBondContact O-N 2.84Š|
| 261 | P | 51.9 | Low | 53.5 | Low | 133 Ų | 133 | 115.1 Ų | 115.1 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 135.9 | 179.6 | 26.9 | -34.3 | 0 | 0 | 0 | 111.2 | | |
| 262 | Q | 56.8 | Low | 53 | Low | 183 Ų | 183 | 115.3 Ų | 115.3 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 133.6 | 176.7 | -176.8 | 177.6 | -8.6 | 0 | 0 | 110.7 | G260 | G260-Q262 PolarHBondContact O-N 2.84Š|
| 263 | G | 51 | Low | 52.5 | Low | 63 Ų | 63 | 113.7 Ų | 113.7 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 144.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 264 | S | 50.3 | Low | 51.9 | Low | 115 Ų | 115 | 113 Ų | 113 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65 | 130.7 | 178.3 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 265 | P | 57.3 | Low | 51.5 | Low | 110 Ų | 110 | 115.5 Ų | 115.5 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 142.3 | 171.9 | -24.5 | 34.5 | 0 | 0 | 0 | 112.1 | | |
| 266 | G | 47.7 | Very low | 51.3 | Low | 72 Ų | 72 | 114.7 Ų | 114.7 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64 | 146.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 267 | H | 47 | Very low | 50.4 | Low | 188 Ų | 188 | 108.4 Ų | 108.4 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 132.6 | 179.6 | -61.8 | -53.5 | 0 | 0 | 0 | 111.4 | | |
| 268 | P | 58.2 | Low | 50 | Low | 123 Ų | 123 | 114.4 Ų | 114.4 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 147.5 | 169 | -23 | 34.2 | 0 | 0 | 0 | 112 | | |
| 269 | G | 45.1 | Very low | 49.2 | Very low | 62 Ų | 62 | 117.6 Ų | 117.6 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 155.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 270 | P | 48.3 | Very low | 48.6 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 134.7 | 179.8 | 27.4 | -34.2 | 0 | 0 | 0 | 111.4 | | |
| 271 | P | 54.3 | Low | 47.9 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.5 | 172.5 | -23.6 | 34.5 | 0 | 0 | 0 | 112.8 | | |
| 272 | G | 44.7 | Very low | 47.8 | Very low | 70 Ų | 70 | 121.7 Ų | 121.7 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 151.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 273 | L | 42.6 | Very low | 47.6 | Very low | 174 Ų | 174 | 117.9 Ų | 117.9 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 130.2 | 179 | -71.4 | 166.2 | 0 | 0 | 0 | 111 | | |
| 274 | P | 43.4 | Very low | 47.4 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 135.4 | 175.8 | 29.8 | -33.8 | 0 | 0 | 0 | 111.1 | | |
| 275 | A | 47 | Very low | 47.4 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 139 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G277 | A275-G277 PolarHBondContact O-N 3.13Å; A275-G277 VanDerWaalsContact O-N 3.17Å |
| 276 | A | 47.5 | Very low | 46.8 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 95% | 0.95 | 79% | 0.794 | S | S | * | * | | | trans | -78.6 | 100.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 277 | G | 38.7 | Very low | 46.8 | Very low | 37 Ų | 37 | 130.6 Ų | 130.6 | 38% | 0.381 | 80% | 0.804 | S | S | . | * | | | trans | -119.6 | 114.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A275 Y279 | A275-G277 PolarHBondContact O-N 3.13Å; A275-G277 VanDerWaalsContact O-N 3.17Å; G277-Y279 PolarHBondContact O-N 3.17Å |
| 278 | L | 48.2 | Very low | 46.5 | Very low | 181 Ų | 181 | 124.2 Ų | 124.2 | 95% | 0.948 | 79% | 0.788 | S | S | * | * | | | trans | -85.7 | 94.8 | 174.5 | -80.4 | 168.2 | 0 | 0 | 0 | 110.6 | | |
| 279 | Y | 37.5 | Very low | 45.8 | Very low | 200 Ų | 200 | 124.1 Ų | 124.1 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | -103.9 | 84.7 | 175.6 | -48.6 | -64.5 | 0 | 0 | 0 | 111.1 | G277 V281 | G277-Y279 PolarHBondContact O-N 3.17Å; Y279-V281 PolarHBondContact O-N 3.35Å |
| 280 | M | 45 | Very low | 45.8 | Very low | 187 Ų | 187 | 127.3 Ų | 127.3 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -74.4 | 102.4 | 167.7 | -170.2 | -176.5 | -60.1 | 0 | 0 | 108.4 | G282 | M280-G282 PolarHBondContact O-N 3.34Š|
| 281 | V | 43.1 | Very low | 45.2 | Very low | 138 Ų | 138 | 124.2 Ų | 124.2 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -68.4 | 98.5 | 179.7 | -178 | 0 | 0 | 0 | 0 | 109.3 | Y279 | Y279-V281 PolarHBondContact O-N 3.35Š|
| 282 | G | 51 | Low | 44.6 | Very low | 58 Ų | 58 | 124 Ų | 124 | 60% | 0.598 | 79% | 0.788 | S | S | * | * | | | trans | -62.6 | 154.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M280 K284 | M280-G282 PolarHBondContact O-N 3.34Å; G282-K284 PolarHBondContact O-N 3.34Å |
| 283 | A | 50.9 | Low | 44.5 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -56.9 | 138.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G285 | A283-G285 PolarHBondContact O-N 2.94Š|
| 284 | K | 48.3 | Very low | 44.1 | Very low | 210 Ų | 210 | 121.7 Ų | 121.7 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | | | trans | -53.2 | 114.2 | -176.7 | -177.2 | 177.9 | -178.6 | 176.4 | 0 | 110.8 | G282 | G282-K284 PolarHBondContact O-N 3.34Š|
| 285 | G | 49.2 | Very low | 43.7 | Very low | 65 Ų | 65 | 124 Ų | 124 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 146.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A283 | A283-G285 PolarHBondContact O-N 2.94Š|
| 286 | A | 46.1 | Very low | 43 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 147 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G288 | A286-G288 PolarHBondContact O-N 2.78Å; A286-G288 VanDerWaalsContact O-N 3.14Å |
| 287 | R | 46.5 | Very low | 42.4 | Very low | 250 Ų | 250 | 122.6 Ų | 122.6 | 94% | 0.943 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 119.4 | 177.2 | -170.4 | -179.8 | -170.3 | 176.6 | 3.3 | 108.7 | | |
| 288 | G | 40.8 | Very low | 42.4 | Very low | 53 Ų | 53 | 126.8 Ų | 126.8 | 55% | 0.546 | 80% | 0.798 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 152.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A286 | A286-G288 PolarHBondContact O-N 2.78Å; A286-G288 VanDerWaalsContact O-N 3.14Å |
| 289 | P | 42.9 | Very low | 41.8 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 153.9 | 174.9 | 27.3 | -35 | 0 | 0 | 0 | 110.4 | G291 | P289-G291 PolarHBondContact O-N 2.74Š|
| 290 | P | 45.7 | Very low | 41.8 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 132.5 | 173.4 | -24.6 | 34.4 | 0 | 0 | 0 | 110.8 | | |
| 291 | G | 36.3 | Very low | 41.8 | Very low | 63 Ų | 63 | 119.2 Ų | 119.2 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 148.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | P289 | P289-G291 PolarHBondContact O-N 2.74Š|
| 292 | P | 40.4 | Very low | 41.4 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 144.3 | 175.7 | 26.4 | -34.4 | 0 | 0 | 0 | 110.1 | G294 | P292-G294 PolarHBondContact O-N 2.91Š|
| 293 | P | 42.5 | Very low | 41.2 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 131.7 | -179.2 | 24.5 | -33.7 | 0 | 0 | 0 | 110.7 | N295 | P293-N295 PolarHBondContact O-N 3.47Š|
| 294 | G | 34.3 | Very low | 40.4 | Very low | 71 Ų | 71 | 121.6 Ų | 121.6 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 127.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P292 C296 | P292-G294 PolarHBondContact O-N 2.91Å; G294-C296 PolarHBondContact O-N 3.36Å |
| 295 | N | 35.9 | Very low | 40.2 | Very low | 171 Ų | 171 | 117.4 Ų | 117.4 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | | | trans | -91.8 | 96.8 | -172.4 | -146.6 | 28.8 | 0 | 0 | 0 | 110.5 | P293 G297 | P293-N295 PolarHBondContact O-N 3.47Å; N295-G297 PolarHBondContact O-N 3.07Å |
| 296 | C | 32.1 | Very low | 39.7 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -75.8 | 104.7 | 179.3 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | G294 C298 | G294-C296 PolarHBondContact O-N 3.36Å; C296-C298 PolarHBondContact O-N 3.23Å; C296-C298 VanDerWaalsContact O-N 3.1Å |
| 297 | G | 35.3 | Very low | 39.1 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | -79.1 | 83.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N295 S299 | N295-G297 PolarHBondContact O-N 3.07Å; G297-S299 VanDerWaalsContact C-N 3.32Å; G297-S299 PolarHBondContact O-N 3.33Å |
| 298 | C | 38.7 | Very low | 38.6 | Very low | 126 Ų | 126 | 121.9 Ų | 121.9 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | -79.1 | 71 | 174.2 | -65.7 | 0 | 0 | 0 | 0 | 112.5 | C296 | C296-C298 PolarHBondContact O-N 3.23Å; C296-C298 VanDerWaalsContact O-N 3.1Å |
| 299 | S | 36.3 | Very low | 38.5 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -141.9 | 57.9 | -176.3 | -65.6 | 0 | 0 | 0 | 0 | 115.7 | G297 | G297-S299 VanDerWaalsContact C-N 3.32Å; G297-S299 PolarHBondContact O-N 3.33Å |
| 300 | S | 35.8 | Very low | 38 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -172.9 | 138.4 | 138 | 50.4 | 0 | 0 | 0 | 0 | 112 | | |
| 301 | L | 46.4 | Very low | 37.8 | Very low | 179 Ų | 179 | 130 Ų | 130 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | | | trans | -86.6 | 112.7 | 170.5 | -76.1 | 156.8 | 0 | 0 | 0 | 108.9 | | |
| 302 | S | 34.8 | Very low | 37.9 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | -112.3 | 106 | 163.4 | 59.7 | 0 | 0 | 0 | 0 | 108.9 | S304 | S302-S304 PolarHBondContact O-N 3.32Š|
| 303 | T | 45.6 | Very low | 37.6 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -65.3 | 119.1 | -171.3 | 45.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 304 | S | 34.4 | Very low | 37.4 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | trans | -117.8 | 121.1 | 159.5 | 51.1 | 0 | 0 | 0 | 0 | 108.9 | S302 F306 | S302-S304 PolarHBondContact O-N 3.32Å; S304-F306 PolarHBondContact O-N 3.08Å; S304-F306 VanDerWaalsContact O-N 3.11Å |
| 305 | P | 43.4 | Very low | 37.7 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | | | trans | -92.5 | 46.2 | -156.9 | 37.8 | -39.7 | 0 | 0 | 0 | 115.2 | | |
| 306 | F | 39.6 | Very low | 38.2 | Very low | 191 Ų | 191 | 131.2 Ų | 131.2 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -150.8 | 103.3 | 171.5 | -89.4 | -77.6 | 0 | 0 | 0 | 110.9 | S304 | S304-F306 PolarHBondContact O-N 3.08Å; S304-F306 VanDerWaalsContact O-N 3.11Å |
| 307 | D | 32.7 | Very low | 39.2 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | | | trans | 179.2 | 73.6 | 148.7 | -96.7 | -23.2 | 0 | 0 | 0 | 109.7 | Y309 | D307-Y309 VanDerWaalsContact C-N 3.27Å; D307-Y309 PolarHBondContact O-N 2.68Å; D307-Y309 VanDerWaalsContact O-N 3.15Å |
| 308 | D | 36.2 | Very low | 39.8 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | trans | -89.4 | 50.7 | -176.6 | -162.4 | 17.1 | 0 | 0 | 0 | 112.6 | | |
| 309 | Y | 38.5 | Very low | 40.7 | Very low | 231 Ų | 231 | 134.7 Ų | 134.7 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | | | trans | -146.4 | 56.8 | 178.3 | -90.8 | -71.6 | 0 | 0 | 0 | 112.5 | D307 | D307-Y309 VanDerWaalsContact C-N 3.27Å; D307-Y309 PolarHBondContact O-N 2.68Å; D307-Y309 VanDerWaalsContact O-N 3.15Å |
| 310 | A | 34 | Very low | 42.2 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 63% | 0.628 | 76% | 0.758 | S | S | * | * | | | trans | -139.7 | 47.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T312 | A310-T312 PolarHBondContact O-N 2.94Å; A310-T312 VanDerWaalsContact O-N 3.08Å |
| 311 | N | 41.2 | Very low | 44.4 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | | | trans | -79.7 | 47.5 | 153.4 | -164.2 | 15.4 | 0 | 0 | 0 | 110.9 | G313 | N311-G313 PolarHBondContact O-N 3.12Å; N311-G313 VanDerWaalsContact O-N 3.07Å |
| 312 | T | 37.6 | Very low | 46.3 | Very low | 110 Ų | 110 | 128 Ų | 128 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | | | trans | -68.9 | 99.4 | 163.9 | 44.7 | 0 | 0 | 0 | 0 | 107.1 | A310 | A310-T312 PolarHBondContact O-N 2.94Å; A310-T312 VanDerWaalsContact O-N 3.08Å |
| 313 | G | 34.7 | Very low | 48.9 | Very low | 37 Ų | 37 | 126.9 Ų | 126.9 | 38% | 0.381 | 70% | 0.7 | S | S | . | * | | | trans | -50.2 | 151.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | N311 Y315 | N311-G313 PolarHBondContact O-N 3.12Å; N311-G313 VanDerWaalsContact O-N 3.07Å; G313-Y315 WeakPolarHBondContact O-CD2 3.11Å; G313-Y315 PolarHBondContact O-N 2.9Å |
| 314 | S | 37.7 | Very low | 51 | Low | 126 Ų | 126 | 120.7 Ų | 120.7 | 88% | 0.881 | 66% | 0.662 | S | S | * | * | | | trans | -71.6 | 78.7 | -175.4 | -162.8 | 0 | 0 | 0 | 0 | 111.3 | P316 | S314-P316 WeakPolarHBondContact O-CD 3.2Š|
| 315 | Y | 41.4 | Very low | 53.5 | Low | 196 Ų | 196 | 118.1 Ų | 118.1 | 77% | 0.769 | 65% | 0.645 | S | S | * | * | | | trans | -64.8 | 117 | 170 | -63.3 | -71.7 | 0 | 0 | 0 | 108.2 | G313 K317 | G313-Y315 WeakPolarHBondContact O-CD2 3.11Å; G313-Y315 PolarHBondContact O-N 2.9Å; Y315-K317 PolarHBondContact O-N 2.79Å; Y315-K317 VanDerWaalsContact O-N 3.07Å |
| 316 | P | 45.3 | Very low | 55.7 | Low | 109 Ų | 109 | 115 Ų | 115 | 71% | 0.708 | 62% | 0.621 | S | S | * | * | | | trans | -65.2 | 115.9 | 177.4 | 26.6 | -32.7 | 0 | 0 | 0 | 108.9 | S314 | S314-P316 WeakPolarHBondContact O-CD 3.2Š|
| 317 | K | 53 | Low | 58.1 | Low | 195 Ų | 195 | 110.8 Ų | 110.8 | 85% | 0.848 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 21.2 | 115 | 165.2 | -63.1 | 178.2 | -178.5 | 177.1 | 0 | 116.2 | Y315 | Y315-K317 PolarHBondContact O-N 2.79Å; Y315-K317 VanDerWaalsContact O-N 3.07Å |
| 318 | V | 48.9 | Very low | 60.7 | Low | 143 Ų | 143 | 107.9 Ų | 107.9 | 87% | 0.867 | 59% | 0.585 | S | S | * | * | | | trans | -27.1 | 116.9 | 172.2 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 319 | P | 56.2 | Low | 63.2 | Low | 49 Ų | 49 | 103.9 Ų | 103.9 | 32% | 0.318 | 56% | 0.562 | S | S | . | * | | | trans | -65.4 | 146.3 | -169.6 | 26.5 | -35.4 | 0 | 0 | 0 | 111.3 | I321 N337 L339 | P319-I321 PolarHBondContact O-N 3.4Å; P319-N337 VanDerWaalsContact CB-O 3.28Å; P319-N337 WeakPolarHBondContact CB-O 3.5Å; P319-N337 WeakPolarHBondContact CG-O 3.12Å; P319-L339 HydrophobicContact CG-CD1 4.31Å; P319-L339 HydrophobicContact CG-CG 4.37Å |
| 320 | V | 68.3 | Low | 65.5 | Low | 105 Ų | 105 | 93.1 Ų | 93.1 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | | | trans | -60.5 | 125 | 172 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | F322 | V320-F322 HydrophobicContact CB-CE2 4.39Å; V320-F322 HydrophobicContact CB-CZ 4.41Å; V320-F322 HydrophobicContact CG1-CZ 4.47Å; V320-F322 VanDerWaalsContact O-CD2 3.27Å; V320-F322 WeakPolarHBondContact O-CD2 3.4Å; V320-F322 WeakPolarHBondContact O-CE2 3.42Å; V320-F322 PolarHBondContact O-N 2.95Å |
| 321 | I | 82.2 | Confident | 68.1 | Low | 100 Ų | 100 | 96.2 Ų | 96.2 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 110.5 | 173.5 | -54.9 | 177.7 | 0 | 0 | 0 | 107.9 | P319 L339 L348 | P319-I321 PolarHBondContact O-N 3.4Å; I321-L339 WeakPolarHBondContact CA-O 3.34Å; I321-L339 HydrophobicContact CG1-CB 4.17Å; I321-L339 HydrophobicContact CG1-CD1 4.35Å; I321-L339 HydrophobicContact CG2-CB 4.5Å; I321-L348 HydrophobicContact CG2-CD1 4.36Å |
| 322 | F | 86.7 | Confident | 70.2 | Confident | 63 Ų | 63 | 95.5 Ų | 95.5 | 28% | 0.276 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 152.1 | 172.9 | -63.1 | -85.6 | 0 | 0 | 0 | 110.4 | V320 L333 T335 A338 L339 A340 F341 | V320-F322 HydrophobicContact CB-CE2 4.39Å; V320-F322 HydrophobicContact CB-CZ 4.41Å; V320-F322 HydrophobicContact CG1-CZ 4.47Å; V320-F322 VanDerWaalsContact O-CD2 3.27Å; V320-F322 WeakPolarHBondContact O-CD2 3.4Å; V320-F322 WeakPolarHBondContact O-CE2 3.42Å; V320-F322 PolarHBondContact O-N 2.95Å; F322-L333 HydrophobicContact CB-CD1 3.59Å; F322-L333 HydrophobicContact CB-CD2 4.39Å; F322-L333 HydrophobicContact CD1-CD1 4.36Å; F322-L333 HydrophobicContact CD1-CD2 3.62Å; F322-L333 HydrophobicContact CD2-CD1 4.23Å; F322-L333 HydrophobicContact CD2-CD2 4.47Å; F322-L333 HydrophobicContact CE1-CD2 3.98Å; F322-L333 HydrophobicContact CG-CD1 3.81Å; F322-L333 HydrophobicContact CG-CD2 3.9Å; F322-T335 HydrophobicContact CE2-CG2 4.19Å; F322-T335 HydrophobicContact CZ-CG2 3.86Å; F322-A338 HydrophobicContact CD2-CB 4.22Å; F322-A338 HydrophobicContact CE2-CB 4.04Å; F322-L339 PolarHBondContact N-O 2.91Å; F322-A340 HydrophobicContact CB-CB 4.14Å; F322-A340 CarbonylContact O-C 3.35Å; F322-A340 WeakPolarHBondContact O-CA 3.47Å; F322-F341 PolarHBondContact O-N 2.82Å |
| 323 | V | 89.3 | Confident | 72.5 | Confident | 85 Ų | 85 | 91.7 Ų | 91.7 | 52% | 0.515 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 104.7 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | F341 K343 | V323-F341 HydrophobicContact CG1-CD1 4.46Å; V323-K343 HydrophobicContact CG1-CD 4.32Å; V323-K343 HydrophobicContact CG1-CG 4.19Å |
| 324 | V | 89.8 | Confident | 74.5 | Confident | 9 Ų | 9 | 98.1 Ų | 98.1 | 6% | 0.055 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 154.4 | -172 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | E329 L330 L333 A340 F341 R342 K343 | V324-E329 HydrophobicContact CB-CB 3.79Å; V324-E329 HydrophobicContact CG1-CB 3.92Å; V324-L330 HydrophobicContact CG2-CB 4.17Å; V324-L330 HydrophobicContact CG2-CD1 4.15Å; V324-L333 HydrophobicContact CG1-CD1 3.72Å; V324-L333 HydrophobicContact CG1-CG 4.43Å; V324-A340 HydrophobicContact CG2-CB 4.46Å; V324-F341 PolarHBondContact N-O 2.83Å; V324-R342 HydrophobicContact CG2-CG 3.63Å; V324-K343 WeakPolarHBondContact O-CG 3.36Å; V324-K343 PolarHBondContact O-N 3.3Å |
| 325 | S | 87.8 | Confident | 76.4 | Confident | 49 Ų | 49 | 94.3 Ų | 94.3 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -96.1 | -26.1 | -169.8 | -43.1 | 0 | 0 | 0 | 0 | 113 | E329 | S325-E329 WeakPolarHBondContact CB-OE2 3.18Å; S325-E329 PolarHBondContact N-OE2 3.06Å; S325-E329 PolarHBondContact OG-OE1 3.12Å; S325-E329 PolarHBondContact OG-OE2 2.93Å |
| 326 | N | 89.4 | Confident | 77.9 | Confident | 54 Ų | 54 | 91 Ų | 91 | 29% | 0.289 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -156.4 | -179 | -176.5 | 60.4 | 27.4 | 0 | 0 | 0 | 111.1 | E328 E329 L330 | N326-E328 PolarHBondContact OD1-N 2.92Å; N326-E329 WeakPolarHBondContact OD1-CB 3.44Å; N326-E329 WeakPolarHBondContact OD1-CG 3.28Å; N326-E329 PolarHBondContact OD1-N 3.33Å; N326-L330 PolarHBondContact O-N 3.18Å |
| 327 | E | 88.6 | Confident | 79.1 | Confident | 103 Ų | 103 | 90.4 Ų | 90.4 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63 | -42 | 178.5 | -149.9 | 142.8 | 138.6 | 0 | 0 | 113 | E329 L330 E331 R342 | E327-E329 VanDerWaalsContact C-N 3.33Å; E327-E329 PolarHBondContact O-N 3.18Å; E327-L330 WeakPolarHBondContact O-CA 3.44Å; E327-L330 VanDerWaalsContact O-CB 3.28Å; E327-L330 WeakPolarHBondContact O-CB 3.44Å; E327-L330 PolarHBondContact O-N 2.83Å; E327-E331 PolarHBondContact O-N 3.35Å; E327-R342 VanDerWaalsContact CD-NH1 3.28Å; E327-R342 IonicContact OE2-CZ 3.21Å; E327-R342 IonicContact OE2-NH1 2.78Å; E327-R342 PolarHBondContact OE2-NH1 2.88Å; E327-R342 IonicContact OE2-NH2 3.18Å; E327-R342 PolarHBondContact OE2-NH2 2.86Å |
| 328 | E | 88.4 | Confident | 80.4 | Confident | 101 Ų | 101 | 81.2 Ų | 81.2 | 47% | 0.472 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.5 | -36.5 | -178.7 | -49.2 | 178.6 | -171.1 | 0 | 0 | 112.6 | N326 L330 R332 | N326-E328 PolarHBondContact OD1-N 2.92Å; E328-L330 VanDerWaalsContact C-N 3.29Å; E328-R332 WeakPolarHBondContact O-CB 3.33Å; E328-R332 WeakPolarHBondContact O-CD 3.16Å; E328-R332 WeakPolarHBondContact O-CG 3.46Å; E328-R332 PolarHBondContact O-N 3.44Å; E328-R332 VanDerWaalsContact O-N 3.1Å; E328-R332 IonicContact OE2-CZ 2.68Å; E328-R332 IonicContact OE2-NH1 2.94Å; E328-R332 PolarHBondContact OE2-NH1 3.36Å; E328-R332 IonicContact OE2-NH2 3.34Å; E328-R332 PolarHBondContact OE2-NH2 3.35Å |
| 329 | E | 88.3 | Confident | 82.3 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.9 | -29.8 | 173.2 | -77.4 | 178.5 | -163.2 | 0 | 0 | 111.8 | V324 S325 N326 E327 | V324-E329 HydrophobicContact CB-CB 3.79Å; V324-E329 HydrophobicContact CG1-CB 3.92Å; S325-E329 WeakPolarHBondContact CB-OE2 3.18Å; S325-E329 PolarHBondContact N-OE2 3.06Å; S325-E329 PolarHBondContact OG-OE1 3.12Å; S325-E329 PolarHBondContact OG-OE2 2.93Å; N326-E329 WeakPolarHBondContact OD1-CB 3.44Å; N326-E329 WeakPolarHBondContact OD1-CG 3.28Å; N326-E329 PolarHBondContact OD1-N 3.33Å; E327-E329 VanDerWaalsContact C-N 3.33Å; E327-E329 PolarHBondContact O-N 3.18Å |
| 330 | L | 87.7 | Confident | 83.8 | Confident | 6 Ų | 6 | 73.8 Ų | 73.8 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.6 | -47.5 | 173.8 | -174.4 | 65 | 0 | 0 | 0 | 111.3 | V324 N326 E327 E328 R332 L333 A340 R342 Y349 W356 | V324-L330 HydrophobicContact CG2-CB 4.17Å; V324-L330 HydrophobicContact CG2-CD1 4.15Å; N326-L330 PolarHBondContact O-N 3.18Å; E327-L330 WeakPolarHBondContact O-CA 3.44Å; E327-L330 VanDerWaalsContact O-CB 3.28Å; E327-L330 WeakPolarHBondContact O-CB 3.44Å; E327-L330 PolarHBondContact O-N 2.83Å; E328-L330 VanDerWaalsContact C-N 3.29Å; L330-R332 VanDerWaalsContact C-N 3.27Å; L330-R332 PolarHBondContact O-N 2.89Å; L330-L333 WeakPolarHBondContact O-CB 3.5Å; L330-L333 PolarHBondContact O-N 3.27Å; L330-A340 HydrophobicContact CD1-CB 3.38Å; L330-R342 HydrophobicContact CD2-CG 4.36Å; L330-Y349 HydrophobicContact CD2-CD1 3.93Å; L330-Y349 HydrophobicContact CD2-CD2 4.25Å; L330-Y349 HydrophobicContact CD2-CE1 4.35Å; L330-Y349 HydrophobicContact CD2-CG 3.88Å; L330-W356 HydrophobicContact CD1-CD2 3.5Å; L330-W356 HydrophobicContact CD1-CE3 3.73Å; L330-W356 HydrophobicContact CD1-CG 4.02Å; L330-W356 HydrophobicContact CD1-CH2 4Å; L330-W356 HydrophobicContact CD1-CZ2 3.81Å; L330-W356 HydrophobicContact CD1-CZ3 3.96Å; L330-W356 HydrophobicContact CD2-CB 3.98Å; L330-W356 HydrophobicContact CD2-CD2 4.26Å; L330-W356 HydrophobicContact CD2-CG 3.94Å; L330-W356 HydrophobicContact CG-CB 4.34Å; L330-W356 HydrophobicContact CG-CD2 3.81Å; L330-W356 HydrophobicContact CG-CE3 4.45Å; L330-W356 HydrophobicContact CG-CG 3.75Å; L330-W356 PolarHBondContact O-NE1 2.91Å |
| 331 | E | 86.8 | Confident | 84.8 | Confident | 140 Ų | 140 | 71.9 Ų | 71.9 | 65% | 0.654 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.9 | -32.6 | 177.3 | -68.1 | -173.4 | 144.8 | 0 | 0 | 112.8 | E327 L333 | E327-E331 PolarHBondContact O-N 3.35Å; E331-L333 PolarHBondContact O-N 3.3Å |
| 332 | R | 86.8 | Confident | 85.2 | Confident | 151 Ų | 151 | 67.5 Ų | 67.5 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.3 | 176.9 | -73.7 | 163.8 | -172.6 | 137.4 | 7.7 | 114 | E328 L330 H334 | E328-R332 WeakPolarHBondContact O-CB 3.33Å; E328-R332 WeakPolarHBondContact O-CD 3.16Å; E328-R332 WeakPolarHBondContact O-CG 3.46Å; E328-R332 PolarHBondContact O-N 3.44Å; E328-R332 VanDerWaalsContact O-N 3.1Å; E328-R332 IonicContact OE2-CZ 2.68Å; E328-R332 IonicContact OE2-NH1 2.94Å; E328-R332 PolarHBondContact OE2-NH1 3.36Å; E328-R332 IonicContact OE2-NH2 3.34Å; E328-R332 PolarHBondContact OE2-NH2 3.35Å; L330-R332 VanDerWaalsContact C-N 3.27Å; L330-R332 PolarHBondContact O-N 2.89Å; R332-H334 PolarHBondContact O-N 3.49Å; R332-H334 VanDerWaalsContact O-N 3.13Å; R332-H334 PolarHBondContact O-ND1 2.83Å |
| 333 | L | 84.3 | Confident | 85.1 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | | | trans | -80 | 91.8 | 178.2 | -72.2 | 173.5 | 0 | 0 | 0 | 112.2 | F322 V324 L330 E331 T335 A340 W356 | F322-L333 HydrophobicContact CB-CD1 3.59Å; F322-L333 HydrophobicContact CB-CD2 4.39Å; F322-L333 HydrophobicContact CD1-CD1 4.36Å; F322-L333 HydrophobicContact CD1-CD2 3.62Å; F322-L333 HydrophobicContact CD2-CD1 4.23Å; F322-L333 HydrophobicContact CD2-CD2 4.47Å; F322-L333 HydrophobicContact CE1-CD2 3.98Å; F322-L333 HydrophobicContact CG-CD1 3.81Å; F322-L333 HydrophobicContact CG-CD2 3.9Å; V324-L333 HydrophobicContact CG1-CD1 3.72Å; V324-L333 HydrophobicContact CG1-CG 4.43Å; L330-L333 WeakPolarHBondContact O-CB 3.5Å; L330-L333 PolarHBondContact O-N 3.27Å; E331-L333 PolarHBondContact O-N 3.3Å; L333-T335 PolarHBondContact O-N 3.43Å; L333-A340 HydrophobicContact CD1-CB 4.01Å; L333-W356 HydrophobicContact CB-CZ2 3.74Å; L333-W356 HydrophobicContact CD1-CH2 4.27Å; L333-W356 HydrophobicContact CD1-CZ2 4.03Å |
| 334 | H | 77.7 | Confident | 85 | Confident | 173 Ų | 173 | 69.5 Ų | 69.5 | 80% | 0.801 | 34% | 0.338 | S | S | * | . | | | trans | -77.9 | 51.4 | 176.1 | -64.1 | 69.5 | 0 | 0 | 0 | 111.9 | R332 | R332-H334 PolarHBondContact O-N 3.49Å; R332-H334 VanDerWaalsContact O-N 3.13Å; R332-H334 PolarHBondContact O-ND1 2.83Å |
| 335 | T | 77 | Confident | 84.7 | Confident | 46 Ų | 46 | 73.2 Ų | 73.2 | 28% | 0.282 | 36% | 0.355 | S | S | . | . | | | trans | -130 | 118.3 | -175.7 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | F322 L333 A338 K351 | F322-T335 HydrophobicContact CE2-CG2 4.19Å; F322-T335 HydrophobicContact CZ-CG2 3.86Å; L333-T335 PolarHBondContact O-N 3.43Å; T335-A338 VanDerWaalsContact O-CB 3.29Å; T335-A338 WeakPolarHBondContact O-CB 3.43Å; T335-A338 WeakPolarHBondContact OG1-CB 3.4Å; T335-K351 WeakPolarHBondContact O-CD 3.4Å |
| 336 | D | 72.6 | Confident | 84.5 | Confident | 125 Ų | 125 | 78.3 Ų | 78.3 | 67% | 0.668 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 153.2 | -176.2 | -50.7 | -41.8 | 0 | 0 | 0 | 111.9 | A338 K351 | D336-A338 PolarHBondContact O-N 3.4Å; D336-K351 IonicContact OD1-NZ 2.74Å; D336-K351 PolarHBondContact OD1-NZ 3.1Å |
| 337 | N | 72 | Confident | 84.2 | Confident | 97 Ų | 97 | 77.7 Ų | 77.7 | 52% | 0.519 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 29.2 | -171.1 | -59.5 | -22.8 | 0 | 0 | 0 | 113.8 | P319 K351 | P319-N337 VanDerWaalsContact CB-O 3.28Å; P319-N337 WeakPolarHBondContact CB-O 3.5Å; P319-N337 WeakPolarHBondContact CG-O 3.12Å; N337-K351 PolarHBondContact N-O 3.09Å |
| 338 | A | 80.7 | Confident | 84.1 | Confident | 3 Ų | 3 | 74.2 Ų | 74.2 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | | | trans | -90.7 | 154.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F322 T335 D336 F350 K351 W356 | F322-A338 HydrophobicContact CD2-CB 4.22Å; F322-A338 HydrophobicContact CE2-CB 4.04Å; T335-A338 VanDerWaalsContact O-CB 3.29Å; T335-A338 WeakPolarHBondContact O-CB 3.43Å; T335-A338 WeakPolarHBondContact OG1-CB 3.4Å; D336-A338 PolarHBondContact O-N 3.4Å; A338-F350 WeakPolarHBondContact O-CA 3.41Å; A338-K351 PolarHBondContact O-N 3.17Å; A338-W356 HydrophobicContact CB-CH2 3.88Å |
| 339 | L | 87.4 | Confident | 84.1 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.5 | 167.8 | -73.7 | 169.5 | 0 | 0 | 0 | 109.4 | P319 I321 F322 L348 Y349 F350 I359 | P319-L339 HydrophobicContact CG-CD1 4.31Å; P319-L339 HydrophobicContact CG-CG 4.37Å; I321-L339 WeakPolarHBondContact CA-O 3.34Å; I321-L339 HydrophobicContact CG1-CB 4.17Å; I321-L339 HydrophobicContact CG1-CD1 4.35Å; I321-L339 HydrophobicContact CG2-CB 4.5Å; F322-L339 PolarHBondContact N-O 2.91Å; L339-L348 HydrophobicContact CD2-CD2 4.36Å; L339-L348 HydrophobicContact CD2-CG 4.43Å; L339-Y349 CarbonylContact C-O 3.54Å; L339-Y349 WeakPolarHBondContact CA-O 3.34Å; L339-F350 HydrophobicContact CD2-CB 4.03Å; L339-F350 HydrophobicContact CD2-CD2 4.02Å; L339-I359 HydrophobicContact CD2-CD1 3.8Å |
| 340 | A | 88.8 | Confident | 84 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 126.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F322 V324 L330 L333 Y349 W356 | F322-A340 HydrophobicContact CB-CB 4.14Å; F322-A340 CarbonylContact O-C 3.35Å; F322-A340 WeakPolarHBondContact O-CA 3.47Å; V324-A340 HydrophobicContact CG2-CB 4.46Å; L330-A340 HydrophobicContact CD1-CB 3.38Å; L333-A340 HydrophobicContact CD1-CB 4.01Å; A340-Y349 PolarHBondContact N-O 2.99Å; A340-Y349 PolarHBondContact O-N 2.93Å; A340-W356 HydrophobicContact CB-CE3 4.42Å; A340-W356 HydrophobicContact CB-CH2 3.54Å; A340-W356 HydrophobicContact CB-CZ2 4.36Å; A340-W356 HydrophobicContact CB-CZ3 3.57Å |
| 341 | F | 89.1 | Confident | 83.8 | Confident | 65 Ų | 65 | 72 Ų | 72 | 29% | 0.285 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 122.1 | 174.4 | -179.2 | -98.1 | 0 | 0 | 0 | 110.6 | F322 V323 V324 K346 L348 | F322-F341 PolarHBondContact O-N 2.82Å; V323-F341 HydrophobicContact CG1-CD1 4.46Å; V324-F341 PolarHBondContact N-O 2.83Å; F341-K346 WeakPolarHBondContact CE2-O 3.37Å; F341-K346 HydrophobicContact CZ-CB 4.18Å; F341-L348 HydrophobicContact CB-CD1 4.1Å |
| 342 | R | 90.3 | Very high | 83.4 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.5 | 175.6 | -97.7 | -177.2 | 73.6 | 167 | 13.1 | 111.1 | V324 E327 L330 D344 Q345 K346 T347 Y349 | V324-R342 HydrophobicContact CG2-CG 3.63Å; E327-R342 VanDerWaalsContact CD-NH1 3.28Å; E327-R342 IonicContact OE2-CZ 3.21Å; E327-R342 IonicContact OE2-NH1 2.78Å; E327-R342 PolarHBondContact OE2-NH1 2.88Å; E327-R342 IonicContact OE2-NH2 3.18Å; E327-R342 PolarHBondContact OE2-NH2 2.86Å; L330-R342 HydrophobicContact CD2-CG 4.36Å; R342-D344 WeakPolarHBondContact CB-OD1 3.29Å; R342-D344 IonicContact CZ-OD1 2.83Å; R342-D344 IonicContact CZ-OD2 2.71Å; R342-D344 IonicContact NE-OD1 2.72Å; R342-D344 PolarHBondContact NE-OD1 3.07Å; R342-D344 IonicContact NE-OD2 2.68Å; R342-D344 PolarHBondContact NE-OD2 3.31Å; R342-D344 IonicContact NH2-OD1 3.81Å; R342-D344 IonicContact NH2-OD2 3.43Å; R342-D344 PolarHBondContact NH2-OD2 3.27Å; R342-Q345 VanDerWaalsContact NH1-OE1 3.17Å; R342-K346 WeakPolarHBondContact O-CA 3.42Å; R342-K346 PolarHBondContact O-N 2.95Å; R342-T347 PolarHBondContact N-O 2.8Å; R342-T347 PolarHBondContact O-N 3.22Å; R342-Y349 HydrophobicContact CB-CD2 4.27Å; R342-Y349 HydrophobicContact CB-CE2 4.18Å; R342-Y349 HydrophobicContact CG-CD2 4.3Å; R342-Y349 HydrophobicContact CG-CE2 4.31Å |
| 343 | K | 85.5 | Confident | 82.9 | Confident | 111 Ų | 111 | 67.3 Ų | 67.3 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -36.3 | -179.7 | -73.4 | 165.9 | 171.2 | 148.2 | 0 | 113.6 | V323 V324 | V323-K343 HydrophobicContact CG1-CD 4.32Å; V323-K343 HydrophobicContact CG1-CG 4.19Å; V324-K343 WeakPolarHBondContact O-CG 3.36Å; V324-K343 PolarHBondContact O-N 3.3Å |
| 344 | D | 85.8 | Confident | 82.5 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 42% | 0.422 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -46.3 | -178.6 | 58.3 | -25.5 | 0 | 0 | 0 | 111.9 | R342 | R342-D344 WeakPolarHBondContact CB-OD1 3.29Å; R342-D344 IonicContact CZ-OD1 2.83Å; R342-D344 IonicContact CZ-OD2 2.71Å; R342-D344 IonicContact NE-OD1 2.72Å; R342-D344 PolarHBondContact NE-OD1 3.07Å; R342-D344 IonicContact NE-OD2 2.68Å; R342-D344 PolarHBondContact NE-OD2 3.31Å; R342-D344 IonicContact NH2-OD1 3.81Å; R342-D344 IonicContact NH2-OD2 3.43Å; R342-D344 PolarHBondContact NH2-OD2 3.27Å |
| 345 | Q | 83.6 | Confident | 82.7 | Confident | 87 Ų | 87 | 66.2 Ų | 66.2 | 41% | 0.407 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -8.2 | -179.2 | -67.9 | 173.7 | -15.4 | 0 | 0 | 113.6 | R342 T347 Y349 | R342-Q345 VanDerWaalsContact NH1-OE1 3.17Å; Q345-T347 PolarHBondContact O-N 3.39Å; Q345-T347 PolarHBondContact O-OG1 3.06Å; Q345-T347 VanDerWaalsContact O-OG1 3.12Å; Q345-Y349 PolarHBondContact OE1-OH 3.14Å |
| 346 | K | 84.4 | Confident | 83.1 | Confident | 156 Ų | 156 | 66.1 Ų | 66.1 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 28.5 | -173.5 | -57.1 | -177.2 | -178.8 | -178.8 | 0 | 113.7 | F341 R342 | F341-K346 WeakPolarHBondContact CE2-O 3.37Å; F341-K346 HydrophobicContact CZ-CB 4.18Å; R342-K346 WeakPolarHBondContact O-CA 3.42Å; R342-K346 PolarHBondContact O-N 2.95Å |
| 347 | T | 82.6 | Confident | 83.7 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 141.9 | -174.9 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | R342 Q345 Y349 P358 | R342-T347 PolarHBondContact N-O 2.8Å; R342-T347 PolarHBondContact O-N 3.22Å; Q345-T347 PolarHBondContact O-N 3.39Å; Q345-T347 PolarHBondContact O-OG1 3.06Å; Q345-T347 VanDerWaalsContact O-OG1 3.12Å; T347-Y349 HydrophobicContact CG2-CD2 4.27Å; T347-Y349 HydrophobicContact CG2-CE2 3.81Å; T347-P358 HydrophobicContact CG2-CB 4.09Å |
| 348 | L | 87.3 | Confident | 84.4 | Confident | 29 Ų | 29 | 63.3 Ų | 63.3 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 135 | 173.2 | -171.9 | 68.5 | 0 | 0 | 0 | 109.5 | I321 L339 F341 I359 M361 | I321-L348 HydrophobicContact CG2-CD1 4.36Å; L339-L348 HydrophobicContact CD2-CD2 4.36Å; L339-L348 HydrophobicContact CD2-CG 4.43Å; F341-L348 HydrophobicContact CB-CD1 4.1Å; L348-I359 HydrophobicContact CB-CB 4.48Å; L348-I359 HydrophobicContact CD2-CD1 3.87Å; L348-I359 HydrophobicContact CG-CD1 4.06Å; L348-I359 WeakPolarHBondContact O-CB 3.41Å; L348-I359 PolarHBondContact O-N 3.21Å; L348-M361 HydrophobicContact CB-CE 3.76Å; L348-M361 HydrophobicContact CB-SD 4.49Å; L348-M361 HydrophobicContact CD2-CE 4.01Å |
| 349 | Y | 86.6 | Confident | 84.5 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 11% | 0.114 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 145.4 | 178.5 | -77.2 | -100.1 | 0 | 0 | 0 | 110.4 | L330 L339 A340 R342 Q345 T347 W356 L357 P358 | L330-Y349 HydrophobicContact CD2-CD1 3.93Å; L330-Y349 HydrophobicContact CD2-CD2 4.25Å; L330-Y349 HydrophobicContact CD2-CE1 4.35Å; L330-Y349 HydrophobicContact CD2-CG 3.88Å; L339-Y349 CarbonylContact C-O 3.54Å; L339-Y349 WeakPolarHBondContact CA-O 3.34Å; A340-Y349 PolarHBondContact N-O 2.99Å; A340-Y349 PolarHBondContact O-N 2.93Å; R342-Y349 HydrophobicContact CB-CD2 4.27Å; R342-Y349 HydrophobicContact CB-CE2 4.18Å; R342-Y349 HydrophobicContact CG-CD2 4.3Å; R342-Y349 HydrophobicContact CG-CE2 4.31Å; Q345-Y349 PolarHBondContact OE1-OH 3.14Å; T347-Y349 HydrophobicContact CG2-CD2 4.27Å; T347-Y349 HydrophobicContact CG2-CE2 3.81Å; Y349-W356 HydrophobicContact CD1-CB 4.16Å; Y349-L357 WeakPolarHBondContact CA-O 3.47Å; Y349-P358 HydrophobicContact CD1-CB 4.15Å; Y349-P358 HydrophobicContact CE1-CB 3.64Å; Y349-P358 HydrophobicContact CE1-CG 4.22Å; Y349-P358 HydrophobicContact CE2-CB 4.5Å |
| 350 | F | 87.7 | Confident | 83.8 | Confident | 67 Ų | 67 | 73.2 Ų | 73.2 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.6 | 170.1 | 173.2 | -104.4 | 0 | 0 | 0 | 109.6 | A338 L339 D352 W356 L357 I359 | A338-F350 WeakPolarHBondContact O-CA 3.41Å; L339-F350 HydrophobicContact CD2-CB 4.03Å; L339-F350 HydrophobicContact CD2-CD2 4.02Å; F350-D352 HydrophobicContact CD1-CB 4.12Å; F350-D352 HydrophobicContact CE1-CB 3.85Å; F350-W356 VanDerWaalsContact C-CE3 3.44Å; F350-W356 WeakPolarHBondContact O-CA 3.01Å; F350-L357 PolarHBondContact N-O 3.12Å; F350-L357 PolarHBondContact O-N 3.32Å; F350-I359 HydrophobicContact CB-CD1 4.13Å; F350-I359 HydrophobicContact CB-CG1 4.37Å |
| 351 | K | 83.4 | Confident | 82.5 | Confident | 38 Ų | 38 | 78.9 Ų | 78.9 | 17% | 0.165 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 104.8 | 174.1 | -159.8 | -165.5 | 175.4 | -164.4 | 0 | 110.3 | T335 D336 N337 A338 G355 W356 | T335-K351 WeakPolarHBondContact O-CD 3.4Å; D336-K351 IonicContact OD1-NZ 2.74Å; D336-K351 PolarHBondContact OD1-NZ 3.1Å; N337-K351 PolarHBondContact N-O 3.09Å; A338-K351 PolarHBondContact O-N 3.17Å; K351-G355 WeakPolarHBondContact CA-O 3.27Å; K351-W356 HydrophobicContact CB-CD2 3.77Å; K351-W356 HydrophobicContact CB-CE3 3.62Å; K351-W356 HydrophobicContact CB-CH2 3.78Å; K351-W356 HydrophobicContact CB-CZ2 3.88Å; K351-W356 HydrophobicContact CB-CZ3 3.64Å; K351-W356 HydrophobicContact CD-CZ2 4.17Å; K351-W356 HydrophobicContact CG-CD2 3.96Å; K351-W356 HydrophobicContact CG-CE3 4.32Å; K351-W356 HydrophobicContact CG-CG 4.36Å; K351-W356 HydrophobicContact CG-CZ2 4.21Å |
| 352 | D | 77.8 | Confident | 80.9 | Confident | 64 Ų | 64 | 81.5 Ų | 81.5 | 34% | 0.342 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 176.7 | 169 | -155.6 | -7.6 | 0 | 0 | 0 | 110.5 | F350 D354 G355 L357 | F350-D352 HydrophobicContact CD1-CB 4.12Å; F350-D352 HydrophobicContact CE1-CB 3.85Å; D352-D354 PolarHBondContact O-N 2.96Å; D352-G355 PolarHBondContact N-O 2.96Å; D352-G355 PolarHBondContact O-N 3.1Å; D352-G355 VanDerWaalsContact O-N 3.08Å; D352-L357 HydrophobicContact CB-CD1 3.96Å |
| 353 | V | 77.3 | Confident | 78.8 | Confident | 129 Ų | 129 | 86.6 Ų | 86.6 | 78% | 0.782 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32 | 177.6 | -71.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 354 | D | 75.8 | Confident | 76.7 | Confident | 157 Ų | 157 | 89.4 Ų | 89.4 | 84% | 0.84 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -2.4 | 178.6 | -65.6 | -44.8 | 0 | 0 | 0 | 113.7 | D352 | D352-D354 PolarHBondContact O-N 2.96Š|
| 355 | G | 81.6 | Confident | 74.5 | Confident | 23 Ų | 23 | 93.9 Ų | 93.9 | 24% | 0.237 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 126.3 | -158.5 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | K351 D352 L357 | K351-G355 WeakPolarHBondContact CA-O 3.27Å; D352-G355 PolarHBondContact N-O 2.96Å; D352-G355 PolarHBondContact O-N 3.1Å; D352-G355 VanDerWaalsContact O-N 3.08Å; G355-L357 PolarHBondContact O-N 3.41Å |
| 356 | W | 85.8 | Confident | 72.4 | Confident | 45 Ų | 45 | 93.7 Ų | 93.7 | 17% | 0.17 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 109.9 | -174.8 | -73.8 | 110.1 | 0 | 0 | 0 | 112.5 | L330 L333 A338 A340 Y349 F350 K351 | L330-W356 HydrophobicContact CD1-CD2 3.5Å; L330-W356 HydrophobicContact CD1-CE3 3.73Å; L330-W356 HydrophobicContact CD1-CG 4.02Å; L330-W356 HydrophobicContact CD1-CH2 4Å; L330-W356 HydrophobicContact CD1-CZ2 3.81Å; L330-W356 HydrophobicContact CD1-CZ3 3.96Å; L330-W356 HydrophobicContact CD2-CB 3.98Å; L330-W356 HydrophobicContact CD2-CD2 4.26Å; L330-W356 HydrophobicContact CD2-CG 3.94Å; L330-W356 HydrophobicContact CG-CB 4.34Å; L330-W356 HydrophobicContact CG-CD2 3.81Å; L330-W356 HydrophobicContact CG-CE3 4.45Å; L330-W356 HydrophobicContact CG-CG 3.75Å; L330-W356 PolarHBondContact O-NE1 2.91Å; L333-W356 HydrophobicContact CB-CZ2 3.74Å; L333-W356 HydrophobicContact CD1-CH2 4.27Å; L333-W356 HydrophobicContact CD1-CZ2 4.03Å; A338-W356 HydrophobicContact CB-CH2 3.88Å; A340-W356 HydrophobicContact CB-CE3 4.42Å; A340-W356 HydrophobicContact CB-CH2 3.54Å; A340-W356 HydrophobicContact CB-CZ2 4.36Å; A340-W356 HydrophobicContact CB-CZ3 3.57Å; Y349-W356 HydrophobicContact CD1-CB 4.16Å; F350-W356 VanDerWaalsContact C-CE3 3.44Å; F350-W356 WeakPolarHBondContact O-CA 3.01Å; K351-W356 HydrophobicContact CB-CD2 3.77Å; K351-W356 HydrophobicContact CB-CE3 3.62Å; K351-W356 HydrophobicContact CB-CH2 3.78Å; K351-W356 HydrophobicContact CB-CZ2 3.88Å; K351-W356 HydrophobicContact CB-CZ3 3.64Å; K351-W356 HydrophobicContact CD-CZ2 4.17Å; K351-W356 HydrophobicContact CG-CD2 3.96Å; K351-W356 HydrophobicContact CG-CE3 4.32Å; K351-W356 HydrophobicContact CG-CG 4.36Å; K351-W356 HydrophobicContact CG-CZ2 4.21Å |
| 357 | L | 84.4 | Confident | 70.2 | Confident | 89 Ų | 89 | 94 Ų | 94 | 47% | 0.466 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.6 | 178.7 | -61.1 | 177.4 | 0 | 0 | 0 | 111.1 | Y349 F350 D352 G355 | Y349-L357 WeakPolarHBondContact CA-O 3.47Å; F350-L357 PolarHBondContact N-O 3.12Å; F350-L357 PolarHBondContact O-N 3.32Å; D352-L357 HydrophobicContact CB-CD1 3.96Å; G355-L357 PolarHBondContact O-N 3.41Å |
| 358 | P | 86 | Confident | 68.1 | Low | 74 Ų | 74 | 99.7 Ų | 99.7 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 126.1 | 176 | 28.4 | -32.3 | 0 | 0 | 0 | 111.3 | T347 Y349 Q360 | T347-P358 HydrophobicContact CG2-CB 4.09Å; Y349-P358 HydrophobicContact CD1-CB 4.15Å; Y349-P358 HydrophobicContact CE1-CB 3.64Å; Y349-P358 HydrophobicContact CE1-CG 4.22Å; Y349-P358 HydrophobicContact CE2-CB 4.5Å; P358-Q360 PolarHBondContact O-N 2.9Å |
| 359 | I | 83.9 | Confident | 65.9 | Low | 67 Ų | 67 | 105.7 Ų | 105.7 | 34% | 0.344 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.5 | 116.9 | 170.2 | -63 | 172 | 0 | 0 | 0 | 108.1 | L339 L348 F350 M361 | L339-I359 HydrophobicContact CD2-CD1 3.8Å; L348-I359 HydrophobicContact CB-CB 4.48Å; L348-I359 HydrophobicContact CD2-CD1 3.87Å; L348-I359 HydrophobicContact CG-CD1 4.06Å; L348-I359 WeakPolarHBondContact O-CB 3.41Å; L348-I359 PolarHBondContact O-N 3.21Å; F350-I359 HydrophobicContact CB-CD1 4.13Å; F350-I359 HydrophobicContact CB-CG1 4.37Å; I359-M361 PolarHBondContact O-N 3.3Å |
| 360 | Q | 72.7 | Confident | 63.4 | Low | 179 Ų | 179 | 107.4 Ų | 107.4 | 84% | 0.836 | 58% | 0.576 | S | S | * | * | | | trans | -69.1 | 96.6 | 174.1 | -68 | -170.2 | 3.4 | 0 | 0 | 110.4 | P358 T362 | P358-Q360 PolarHBondContact O-N 2.9Å; Q360-T362 PolarHBondContact O-N 2.78Å; Q360-T362 VanDerWaalsContact O-N 3.09Å |
| 361 | M | 61.6 | Low | 61.1 | Low | 119 Ų | 119 | 110.2 Ų | 110.2 | 59% | 0.586 | 60% | 0.6 | S | S | * | * | | | trans | -71.5 | 97.7 | 166.2 | -72.2 | -179.3 | 159.3 | 0 | 0 | 108.9 | L348 I359 | L348-M361 HydrophobicContact CB-CE 3.76Å; L348-M361 HydrophobicContact CB-SD 4.49Å; L348-M361 HydrophobicContact CD2-CE 4.01Å; I359-M361 PolarHBondContact O-N 3.3Å |
| 362 | T | 55.8 | Low | 58.9 | Low | 120 Ų | 120 | 116.2 Ų | 116.2 | 74% | 0.736 | 63% | 0.634 | S | S | * | * | | | trans | -59.3 | 128.6 | 164 | 47.8 | 0 | 0 | 0 | 0 | 108.2 | Q360 F364 | Q360-T362 PolarHBondContact O-N 2.78Å; Q360-T362 VanDerWaalsContact O-N 3.09Å; T362-F364 PolarHBondContact O-N 2.89Å; T362-F364 VanDerWaalsContact O-N 3.1Å |
| 363 | P | 46.2 | Very low | 57 | Low | 116 Ų | 116 | 121.2 Ų | 121.2 | 75% | 0.753 | 66% | 0.661 | S | S | * | * | | | trans | -59.6 | 121.7 | 175.5 | 25.5 | -32.8 | 0 | 0 | 0 | 107.9 | Q365 | P363-Q365 PolarHBondContact O-N 3.06Š|
| 364 | F | 41.1 | Very low | 55.3 | Low | 169 Ų | 169 | 124.3 Ų | 124.3 | 74% | 0.741 | 67% | 0.667 | S | S | * | * | | | trans | -61.4 | 109.2 | 179 | -167.4 | -85.5 | 0 | 0 | 0 | 107.7 | T362 S366 | T362-F364 PolarHBondContact O-N 2.89Å; T362-F364 VanDerWaalsContact O-N 3.1Å; F364-S366 PolarHBondContact O-N 2.89Å; F364-S366 VanDerWaalsContact O-N 3.1Å |
| 365 | Q | 39.9 | Very low | 53 | Low | 173 Ų | 173 | 120.4 Ų | 120.4 | 81% | 0.808 | 66% | 0.664 | S | S | * | * | | | trans | -66.4 | 112.7 | 173.1 | -72 | -173.9 | -8.6 | 0 | 0 | 107.1 | P363 M367 | P363-Q365 PolarHBondContact O-N 3.06Å; Q365-M367 PolarHBondContact O-N 3.49Å |
| 366 | S | 38.4 | Very low | 50.8 | Low | 84 Ų | 84 | 130.4 Ų | 130.4 | 59% | 0.587 | 70% | 0.696 | S | S | * | * | | | trans | -48.6 | 126.5 | 167.2 | -54.1 | 0 | 0 | 0 | 0 | 108.5 | F364 E368 | F364-S366 PolarHBondContact O-N 2.89Å; F364-S366 VanDerWaalsContact O-N 3.1Å; S366-E368 PolarHBondContact O-N 3.34Å |
| 367 | M | 38.6 | Very low | 48.1 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 79% | 0.793 | 72% | 0.721 | S | S | * | * | | | trans | -73.2 | 45.7 | 171.9 | -73.2 | 174.1 | 50.7 | 0 | 0 | 111.3 | Q365 N369 | Q365-M367 PolarHBondContact O-N 3.49Å; M367-N369 PolarHBondContact O-N 2.81Å |
| 368 | E | 38.6 | Very low | 45.9 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -0.4 | -178.6 | -161.8 | 161.9 | -149.1 | 0 | 0 | 111.7 | S366 | S366-E368 PolarHBondContact O-N 3.34Š|
| 369 | N | 40.5 | Very low | 43.7 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | 57.5 | 176.3 | -66.2 | -93.2 | 0 | 0 | 0 | 111 | M367 | M367-N369 PolarHBondContact O-N 2.81Š|
| 370 | A | 35.3 | Very low | 41.6 | Very low | 65 Ų | 65 | 136.4 Ų | 136.4 | 54% | 0.537 | 77% | 0.773 | S | S | . | * | | | trans | -78.5 | 132.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 371 | P | 37.9 | Very low | 40 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | trans | -67.4 | 136.9 | 176.9 | 28.5 | -33.5 | 0 | 0 | 0 | 110.1 | D373 | P371-D373 PolarHBondContact O-N 2.9Š|
| 372 | D | 37.4 | Very low | 39.1 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | | | trans | -65 | 115.3 | 178.3 | -61.9 | -67.8 | 0 | 0 | 0 | 111.1 | | |
| 373 | D | 37.5 | Very low | 38.5 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | | | trans | -81 | 133.5 | 161.5 | -108.1 | -28.6 | 0 | 0 | 0 | 108.8 | P371 | P371-D373 PolarHBondContact O-N 2.9Š|
| 374 | E | 41.3 | Very low | 38.4 | Very low | 194 Ų | 194 | 137 Ų | 137 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | | | trans | -68.3 | 135.2 | -163.9 | -58.6 | -177.4 | 123.8 | 0 | 0 | 114.3 | | |
| 375 | G | 29 | Very low | 38.3 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | -167.2 | 103 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 376 | Y | 34.4 | Very low | 38.2 | Very low | 233 Ų | 233 | 132.6 Ų | 132.6 | 91% | 0.914 | 77% | 0.765 | S | S | * | * | | | trans | -107.8 | 126.9 | 179.2 | -81.8 | -86.4 | 0 | 0 | 0 | 114.1 | | |
| 377 | C | 30.4 | Very low | 38.4 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | | | trans | -160.3 | 152.4 | 151.7 | 53.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 378 | G | 38.1 | Very low | 38.2 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | cis | 127.8 | 133.3 | -0.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 379 | D | 39.8 | Very low | 38.3 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | cis | -132.7 | -2.7 | -1.5 | 63.2 | 3.2 | 0 | 0 | 0 | 114.4 | | |
| 380 | G | 39.4 | Very low | 38.3 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | | | trans | 94.8 | 21.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 381 | I | 38.6 | Very low | 38.5 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 63% | 0.631 | 79% | 0.788 | S | S | * | * | | | trans | -114.9 | 114.9 | 179.9 | -55.2 | -179 | 0 | 0 | 0 | 112.2 | | |
| 382 | V | 43.2 | Very low | 38.8 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -75.4 | 134.5 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 383 | Q | 42.8 | Very low | 39.2 | Very low | 148 Ų | 148 | 137 Ų | 137 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | trans | -98.2 | 116.9 | 173.5 | -66.9 | -61.4 | -34.4 | 0 | 0 | 111.1 | | |
| 384 | I | 44.2 | Very low | 39.1 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -22 | -165.1 | -64.3 | 169.1 | 0 | 0 | 0 | 117.1 | N386 | I384-N386 PolarHBondContact O-N 3.11Š|
| 385 | P | 39.3 | Very low | 39.2 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -38.7 | -170.7 | -27.8 | 36.4 | 0 | 0 | 0 | 117.7 | | |
| 386 | N | 36.5 | Very low | 39.6 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | -15.5 | -160.5 | -77.5 | 27.2 | 0 | 0 | 0 | 116.2 | I384 E388 | I384-N386 PolarHBondContact O-N 3.11Å; N386-E388 PolarHBondContact O-N 3.16Å |
| 387 | G | 44.4 | Very low | 40.2 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 81% | 0.814 | 75% | 0.748 | S | S | * | * | | | trans | 68.7 | 22.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 388 | E | 34.2 | Very low | 40.7 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | | | trans | -90.8 | 114.6 | 174.3 | -66.4 | -178.3 | 142.6 | 0 | 0 | 110.8 | N386 | N386-E388 PolarHBondContact O-N 3.16Š|
| 389 | E | 39.8 | Very low | 40.4 | Very low | 189 Ų | 189 | 135.9 Ų | 135.9 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | | | trans | -110.2 | 87.3 | 170.7 | -173.2 | 169.3 | -149.5 | 0 | 0 | 110.2 | | |
| 390 | C | 41.3 | Very low | 40.3 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | | | trans | -141.3 | 100.4 | 174.5 | -80.2 | 0 | 0 | 0 | 0 | 109.9 | D392 | C390-D392 PolarHBondContact O-N 2.82Š|
| 391 | D | 39.9 | Very low | 40.1 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | | | trans | -78.3 | 101.7 | 164.8 | 174.5 | 26.5 | 0 | 0 | 0 | 109.4 | R393 | D391-R393 WeakPolarHBondContact OD1-CA 3.37Å; D391-R393 WeakPolarHBondContact OD1-CG 3.28Å; D391-R393 PolarHBondContact OD1-N 2.72Å; D391-R393 WeakPolarHBondContact OD2-CG 3.33Å; D391-R393 IonicContact OD2-NE 3.85Å |
| 392 | D | 43.8 | Very low | 39.8 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | | | trans | -97.3 | 9.3 | 173.4 | 75 | -9.8 | 0 | 0 | 0 | 113.5 | C390 N394 | C390-D392 PolarHBondContact O-N 2.82Å; D392-N394 PolarHBondContact O-N 2.96Å |
| 393 | R | 46 | Very low | 39.3 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 75% | 0.751 | 74% | 0.739 | S | S | * | * | | | trans | 52.3 | 24.5 | 172.2 | -71.8 | -166.8 | 166.6 | -155.9 | -4.9 | 117 | D391 | D391-R393 WeakPolarHBondContact OD1-CA 3.37Å; D391-R393 WeakPolarHBondContact OD1-CG 3.28Å; D391-R393 PolarHBondContact OD1-N 2.72Å; D391-R393 WeakPolarHBondContact OD2-CG 3.33Å; D391-R393 IonicContact OD2-NE 3.85Å |
| 394 | N | 35.6 | Very low | 38.7 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 51% | 0.508 | 74% | 0.741 | S | S | . | * | | | trans | -104 | 135.2 | 169.2 | -164.2 | 0.4 | 0 | 0 | 0 | 112 | D392 V396 | D392-N394 PolarHBondContact O-N 2.96Å; N394-V396 PolarHBondContact ND2-O 2.74Å; N394-V396 PolarHBondContact OD1-N 3.07Å; N394-V396 VanDerWaalsContact OD1-N 3.09Å |
| 395 | R | 42.6 | Very low | 38 | Very low | 255 Ų | 255 | 136.5 Ų | 136.5 | 96% | 0.962 | 74% | 0.743 | S | S | * | * | | | trans | -103.4 | 11.2 | 177.3 | -145.1 | 179 | -169.5 | 176.4 | 5.2 | 113.3 | | |
| 396 | V | 38.2 | Very low | 37.6 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 54% | 0.539 | 74% | 0.743 | S | S | . | * | S | Bend | trans | -123.7 | 126.4 | 178.7 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | N394 T398 | N394-V396 PolarHBondContact ND2-O 2.74Å; N394-V396 PolarHBondContact OD1-N 3.07Å; N394-V396 VanDerWaalsContact OD1-N 3.09Å; V396-T398 VanDerWaalsContact C-N 3.3Å; V396-T398 HydrophobicContact CG1-CG2 4.09Å; V396-T398 PolarHBondContact O-N 2.68Å |
| 397 | V | 46.2 | Very low | 37.4 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 93% | 0.933 | 75% | 0.748 | S | S | * | * | | | trans | -82.9 | 74.6 | 177.1 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 398 | T | 40.9 | Very low | 37 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 50% | 0.503 | 74% | 0.743 | S | S | . | * | | | trans | -138.7 | 152.1 | 166.9 | 62.8 | 0 | 0 | 0 | 0 | 112 | V396 G400 | V396-T398 VanDerWaalsContact C-N 3.3Å; V396-T398 HydrophobicContact CG1-CG2 4.09Å; V396-T398 PolarHBondContact O-N 2.68Å; T398-G400 PolarHBondContact O-N 2.83Å |
| 399 | D | 32.8 | Very low | 37.1 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 44.2 | 50.5 | 158.1 | 66.6 | -47 | 0 | 0 | 0 | 121.5 | | |
| 400 | G | 35.9 | Very low | 36.9 | Very low | 61 Ų | 61 | 128.6 Ų | 128.6 | 63% | 0.629 | 70% | 0.696 | S | S | * | * | | | | 77.4 | 113.2 | 121.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | T398 V402 | T398-G400 PolarHBondContact O-N 2.83Å; G400-V402 WeakPolarHBondContact O-CG2 3.42Å; G400-V402 PolarHBondContact O-N 2.82Å |
| 401 | C | 36.3 | Very low | 36.7 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 68% | 0.676 | 69% | 0.686 | S | S | * | * | | | trans | -56.1 | 108.1 | 177 | -177.6 | 0 | 0 | 0 | 0 | 113.8 | K403 | C401-K403 PolarHBondContact O-N 3.24Š|
| 402 | V | 32.2 | Very low | 36.7 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 80% | 0.8 | 69% | 0.689 | S | S | * | * | | | trans | -82.7 | 84.9 | -177.5 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | G400 | G400-V402 WeakPolarHBondContact O-CG2 3.42Å; G400-V402 PolarHBondContact O-N 2.82Å |
| 403 | K | 32.7 | Very low | 36.4 | Very low | 184 Ų | 184 | 128 Ų | 128 | 80% | 0.8 | 69% | 0.689 | S | S | * | * | | | trans | 61.4 | 59.2 | 160.5 | -59.7 | 176.3 | 178.9 | 169 | 0 | 116.2 | C401 K405 | C401-K403 PolarHBondContact O-N 3.24Å; K403-K405 PolarHBondContact O-N 3.23Å |
| 404 | C | 30.7 | Very low | 36.1 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | | | trans | -56.4 | 110.1 | 144.8 | -67.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 405 | K | 28.5 | Very low | 36.3 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | | | trans | -80.3 | 126.8 | 166.3 | -81.6 | -168.9 | 175.4 | -175.8 | 0 | 107.9 | K403 A407 | K403-K405 PolarHBondContact O-N 3.23Å; K405-A407 PolarHBondContact O-N 2.65Å; K405-A407 VanDerWaalsContact O-N 3.14Å |
| 406 | H | 31 | Very low | 36 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 72% | 0.718 | 71% | 0.705 | S | S | * | * | | | trans | -45.8 | 118.5 | 175 | -58.3 | 95.5 | 0 | 0 | 0 | 111.4 | Y408 | H406-Y408 HydrophobicContact CB-CD2 4.49Å; H406-Y408 HydrophobicContact CB-CE2 3.98Å |
| 407 | A | 32.5 | Very low | 36.2 | Very low | 101 Ų | 101 | 130 Ų | 130 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | | | trans | -80.5 | 113.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | K405 C409 | K405-A407 PolarHBondContact O-N 2.65Å; K405-A407 VanDerWaalsContact O-N 3.14Å; A407-C409 PolarHBondContact O-N 3.37Å |
| 408 | Y | 36.2 | Very low | 36 | Very low | 181 Ų | 181 | 127.9 Ų | 127.9 | 71% | 0.71 | 71% | 0.708 | S | S | * | * | | | trans | -84.1 | 109.7 | 173.6 | -66.2 | -83.4 | 0 | 0 | 0 | 108.6 | H406 | H406-Y408 HydrophobicContact CB-CD2 4.49Å; H406-Y408 HydrophobicContact CB-CE2 3.98Å |
| 409 | C | 35.4 | Very low | 36 | Very low | 58 Ų | 58 | 128.2 Ų | 128.2 | 39% | 0.392 | 70% | 0.704 | S | S | . | * | | | trans | -66.2 | 156.7 | 145.5 | -84.7 | 0 | 0 | 0 | 0 | 108.4 | A407 C421 | A407-C409 PolarHBondContact O-N 3.37Å; C409-C421 HydrophobicContact CB-CB 4.31Å; C409-C421 WeakPolarHBondContact CB-SG 3.3Å; C409-C421 WeakPolarHBondContact SG-CB 3.26Å; C409-C421 CovalentContact SG-SG 2.04Å; C409-C421 PolarHBondContact SG-SG 2.74Å |
| 410 | G | 35.1 | Very low | 36.3 | Very low | 32 Ų | 32 | 129.3 Ų | 129.3 | 33% | 0.33 | 70% | 0.704 | S | S | . | * | S | Bend | trans | 133.9 | 143.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G412 | G410-G412 PolarHBondContact O-N 3.41Š|
| 411 | D | 37.8 | Very low | 36.6 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -75.6 | -1.2 | 179.8 | 68 | -12.2 | 0 | 0 | 0 | 114.4 | Y413 | D411-Y413 VanDerWaalsContact OD1-CD2 3.28Å; D411-Y413 WeakPolarHBondContact OD1-CD2 3.34Å; D411-Y413 PolarHBondContact OD1-N 3.38Å; D411-Y413 VanDerWaalsContact OD1-N 3.08Å; D411-Y413 WeakPolarHBondContact OD2-CD2 3.18Å |
| 412 | G | 39.3 | Very low | 36.9 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 121.1 | -12 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | G410 | G410-G412 PolarHBondContact O-N 3.41Š|
| 413 | Y | 37.3 | Very low | 37.4 | Very low | 172 Ų | 172 | 126.3 Ų | 126.3 | 68% | 0.675 | 69% | 0.685 | S | S | * | * | | | trans | -86.7 | 150.1 | 172.4 | -65.3 | -73.5 | 0 | 0 | 0 | 112.1 | D411 | D411-Y413 VanDerWaalsContact OD1-CD2 3.28Å; D411-Y413 WeakPolarHBondContact OD1-CD2 3.34Å; D411-Y413 PolarHBondContact OD1-N 3.38Å; D411-Y413 VanDerWaalsContact OD1-N 3.08Å; D411-Y413 WeakPolarHBondContact OD2-CD2 3.18Å |
| 414 | R | 40.6 | Very low | 37.7 | Very low | 224 Ų | 224 | 125 Ų | 125 | 85% | 0.845 | 68% | 0.68 | S | S | * | * | | | trans | -105.3 | 109.8 | 172.8 | -71.4 | 179.8 | 70.5 | -176.4 | 1.2 | 109.2 | | |
| 415 | Y | 39.8 | Very low | 38.2 | Very low | 187 Ų | 187 | 123.5 Ų | 123.5 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | | | trans | -99.2 | 151.4 | 160.1 | -80.9 | -83.2 | 0 | 0 | 0 | 110.4 | G417 | Y415-G417 PolarHBondContact O-N 3.01Š|
| 416 | E | 36.6 | Very low | 38.7 | Very low | 208 Ų | 208 | 122.7 Ų | 122.7 | 97% | 0.972 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -89.6 | 82.1 | 175.2 | -67.5 | -169.4 | 151 | 0 | 0 | 109.4 | | |
| 417 | G | 43.2 | Very low | 38.9 | Very low | 63 Ų | 63 | 117.1 Ų | 117.1 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -171.7 | 168.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y415 | Y415-G417 PolarHBondContact O-N 3.01Š|
| 418 | A | 40.3 | Very low | 39.1 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 89% | 0.893 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 123 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 419 | E | 40.9 | Very low | 39 | Very low | 90 Ų | 90 | 123.1 Ų | 123.1 | 42% | 0.421 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -92.3 | 120.9 | 173.8 | -66.5 | -177 | 171.6 | 0 | 0 | 109.1 | C421 | E419-C421 PolarHBondContact O-N 2.63Š|
| 420 | E | 38.8 | Very low | 38.8 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 121.3 | 167.5 | -67.5 | -176.9 | 151.9 | 0 | 0 | 108.1 | D422 | E420-D422 PolarHBondContact O-N 3.08Š|
| 421 | C | 44.2 | Very low | 38.4 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 60% | 0.595 | 69% | 0.686 | S | S | * | * | | | trans | -72.2 | 67.2 | 177.9 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | C409 E419 | C409-C421 HydrophobicContact CB-CB 4.31Å; C409-C421 WeakPolarHBondContact CB-SG 3.3Å; C409-C421 WeakPolarHBondContact SG-CB 3.26Å; C409-C421 CovalentContact SG-SG 2.04Å; C409-C421 PolarHBondContact SG-SG 2.74Å; E419-C421 PolarHBondContact O-N 2.63Å |
| 422 | D | 41.3 | Very low | 37.9 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 39% | 0.385 | 70% | 0.704 | S | S | . | * | | | trans | -61.4 | 150.8 | 168 | 168.3 | -60 | 0 | 0 | 0 | 109.6 | E420 K424 D425 | E420-D422 PolarHBondContact O-N 3.08Å; D422-K424 PolarHBondContact O-N 3.24Å; D422-K424 WeakPolarHBondContact OD1-CB 3.5Å; D422-K424 VanDerWaalsContact OD1-CG 3.23Å; D422-K424 WeakPolarHBondContact OD1-CG 3.23Å; D422-K424 PolarHBondContact OD1-N 2.96Å; D422-K424 IonicContact OD1-NZ 2.63Å; D422-K424 PolarHBondContact OD1-NZ 3.07Å; D422-K424 IonicContact OD2-NZ 3.55Å; D422-K424 PolarHBondContact OD2-NZ 3.08Å; D422-D425 PolarHBondContact O-N 3.35Å; D422-D425 VanDerWaalsContact O-N 3.16Å |
| 423 | G | 42.2 | Very low | 37.6 | Very low | 70 Ų | 70 | 133.3 Ų | 133.3 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 424 | K | 40.6 | Very low | 37.4 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -23.4 | 175.1 | -64.7 | 179.6 | -134.5 | 80.2 | 0 | 113.8 | D422 F426 | D422-K424 PolarHBondContact O-N 3.24Å; D422-K424 WeakPolarHBondContact OD1-CB 3.5Å; D422-K424 VanDerWaalsContact OD1-CG 3.23Å; D422-K424 WeakPolarHBondContact OD1-CG 3.23Å; D422-K424 PolarHBondContact OD1-N 2.96Å; D422-K424 IonicContact OD1-NZ 2.63Å; D422-K424 PolarHBondContact OD1-NZ 3.07Å; D422-K424 IonicContact OD2-NZ 3.55Å; D422-K424 PolarHBondContact OD2-NZ 3.08Å; K424-F426 PolarHBondContact O-N 3.25Å; K424-F426 VanDerWaalsContact O-N 3.11Å |
| 425 | D | 40.6 | Very low | 37.1 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 41% | 0.406 | 70% | 0.697 | S | S | . | * | | | trans | -85.5 | 16.4 | -166.3 | -54.3 | -44.5 | 0 | 0 | 0 | 114.3 | D422 G427 | D422-D425 PolarHBondContact O-N 3.35Å; D422-D425 VanDerWaalsContact O-N 3.16Å; D425-G427 VanDerWaalsContact C-N 3.3Å; D425-G427 PolarHBondContact O-N 3.1Å |
| 426 | F | 39.3 | Very low | 36.8 | Very low | 179 Ų | 179 | 127.8 Ų | 127.8 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | | | trans | -72.8 | 82.2 | 170.7 | -82.2 | -81.8 | 0 | 0 | 0 | 111.4 | K424 | K424-F426 PolarHBondContact O-N 3.25Å; K424-F426 VanDerWaalsContact O-N 3.11Å |
| 427 | G | 34.6 | Very low | 36.7 | Very low | 37 Ų | 37 | 119.7 Ų | 119.7 | 38% | 0.381 | 67% | 0.674 | S | S | . | * | | | trans | -52.2 | 144.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D425 Q429 | D425-G427 VanDerWaalsContact C-N 3.3Å; D425-G427 PolarHBondContact O-N 3.1Å; G427-Q429 PolarHBondContact O-N 3.46Å |
| 428 | Y | 37.8 | Very low | 36.4 | Very low | 230 Ų | 230 | 118.8 Ų | 118.8 | 90% | 0.902 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -75.1 | 48.1 | -174.7 | -95.1 | -102.5 | 0 | 0 | 0 | 114 | | |
| 429 | Q | 33 | Very low | 36.3 | Very low | 178 Ų | 178 | 119 Ų | 119 | 83% | 0.832 | 64% | 0.636 | S | S | * | * | | | trans | 179.6 | 136.4 | 171.8 | -103.4 | 144.9 | 99.3 | 0 | 0 | 108.1 | G427 | G427-Q429 PolarHBondContact O-N 3.46Š|
| 430 | T | 30.7 | Very low | 36.3 | Very low | 125 Ų | 125 | 116.9 Ų | 116.9 | 77% | 0.767 | 64% | 0.638 | S | S | * | * | S | Bend | cis | -141.2 | 113.3 | 8.8 | 46.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 431 | C | 26.9 | Very low | 36.3 | Very low | 94 Ų | 94 | 117 Ų | 117 | 64% | 0.635 | 64% | 0.636 | S | S | * | * | | | trans | -153.2 | 80.1 | 159.3 | -125.5 | 0 | 0 | 0 | 0 | 109.6 | S433 | C431-S433 PolarHBondContact O-N 2.04Š|
| 432 | N | 27.1 | Very low | 36.1 | Very low | 181 Ų | 181 | 117.8 Ų | 117.8 | 97% | 0.968 | 63% | 0.634 | S | S | * | * | | | trans | -84 | 45.7 | -166.3 | -146.4 | 7.8 | 0 | 0 | 0 | 112.9 | | |
| 433 | S | 33.8 | Very low | 36 | Very low | 84 Ų | 84 | 120 Ų | 120 | 59% | 0.587 | 64% | 0.641 | S | S | * | * | | | trans | -147.9 | 50.5 | -175.1 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | C431 L435 | C431-S433 PolarHBondContact O-N 2.04Å; S433-L435 PolarHBondContact O-N 3.38Å; S433-L435 VanDerWaalsContact O-N 3.12Å |
| 434 | Y | 32.5 | Very low | 35.7 | Very low | 220 Ų | 220 | 122.4 Ų | 122.4 | 86% | 0.863 | 65% | 0.645 | S | S | * | * | | | trans | -60.9 | 110.7 | 166.4 | -99.6 | -91.9 | 0 | 0 | 0 | 109.7 | P436 | Y434-P436 WeakPolarHBondContact O-CD 3.37Š|
| 435 | L | 35 | Very low | 35.7 | Very low | 120 Ų | 120 | 117.2 Ų | 117.2 | 63% | 0.628 | 63% | 0.627 | S | S | * | * | | | trans | -77.2 | 116.6 | 158.2 | -77 | 169.3 | 0 | 0 | 0 | 107.9 | S433 G437 S438 | S433-L435 PolarHBondContact O-N 3.38Å; S433-L435 VanDerWaalsContact O-N 3.12Å; L435-G437 PolarHBondContact O-N 3.29Å; L435-S438 PolarHBondContact O-OG 3.02Å |
| 436 | P | 34 | Very low | 35.4 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 83% | 0.825 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 121.8 | 176.7 | 28.2 | -32.8 | 0 | 0 | 0 | 109.8 | Y434 | Y434-P436 WeakPolarHBondContact O-CD 3.37Š|
| 437 | G | 34.3 | Very low | 35 | Very low | 39 Ų | 39 | 119.8 Ų | 119.8 | 40% | 0.402 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 114.7 | -2.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | L435 F458 | L435-G437 PolarHBondContact O-N 3.29Å; G437-F458 PolarHBondContact O-N 3.09Å; G437-F458 VanDerWaalsContact O-N 3.07Å |
| 438 | S | 36.8 | Very low | 35 | Very low | 44 Ų | 44 | 125.1 Ų | 125.1 | 31% | 0.308 | 67% | 0.673 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.1 | -179.5 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | L435 K456 | L435-S438 PolarHBondContact O-OG 3.02Å; S438-K456 WeakPolarHBondContact CA-O 3.36Å |
| 439 | Y | 37 | Very low | 34.8 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 44% | 0.435 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -138 | 129.5 | 173.4 | 40.1 | -82.2 | 0 | 0 | 0 | 110.2 | K456 F458 | Y439-K456 HydrophobicContact CD2-CB 4.02Å; Y439-K456 WeakPolarHBondContact CE1-O 3.13Å; Y439-K456 HydrophobicContact CE2-CB 3.43Å; Y439-K456 VanDerWaalsContact CE2-CB 3.43Å; Y439-K456 PolarHBondContact N-O 3.02Å; Y439-K456 PolarHBondContact O-N 3.25Å; Y439-F458 HydrophobicContact CE1-CB 4.28Å; Y439-F458 AromaticContact CE1-CD2 3.68Å; Y439-F458 HydrophobicContact CE1-CD2 3.68Å; Y439-F458 HydrophobicContact CE1-CG 4.37Å; Y439-F458 AromaticContact CZ-CD2 3.62Å; Y439-F458 WeakPolarHBondContact OH-CD2 3.47Å; Y439-F458 WeakPolarHBondContact OH-CE2 3.42Å |
| 440 | G | 41 | Very low | 35.2 | Very low | 46 Ų | 46 | 114.3 Ų | 114.3 | 47% | 0.474 | 64% | 0.638 | S | S | . | * | S | Bend | trans | 153.8 | 171.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N454 | G440-N454 WeakPolarHBondContact CA-O 3.11Š|
| 441 | F | 39.6 | Very low | 35.7 | Very low | 177 Ų | 177 | 110.5 Ų | 110.5 | 78% | 0.776 | 61% | 0.613 | S | S | * | * | | | trans | -84.8 | 118.3 | -179.4 | -59.5 | -81.4 | 0 | 0 | 0 | 110.8 | | |
| 442 | L | 40.2 | Very low | 36.7 | Very low | 106 Ų | 106 | 108.6 Ų | 108.6 | 56% | 0.555 | 60% | 0.601 | S | S | * | * | | | trans | -76.7 | 129.2 | 170.7 | -64.1 | 174.4 | 0 | 0 | 0 | 109.5 | I450 C455 | L442-I450 HydrophobicContact CB-CG2 3.84Å; L442-I450 HydrophobicContact CD1-CG2 4.34Å; L442-I450 HydrophobicContact CD2-CG2 3.85Å; L442-I450 HydrophobicContact CG-CG2 4.22Å; L442-C455 VanDerWaalsContact CD2-SG 3.53Å |
| 443 | K | 39.9 | Very low | 37.6 | Very low | 119 Ų | 119 | 104.7 Ų | 104.7 | 52% | 0.517 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.5 | 174.6 | -70.8 | -176.7 | 179.9 | 180 | 0 | 110.4 | T445 D451 | K443-T445 PolarHBondContact O-N 3.14Å; K443-D451 HydrophobicContact CB-CB 4.16Å; K443-D451 PolarHBondContact N-O 3.37Å; K443-D451 PolarHBondContact O-N 3.34Å |
| 444 | C | 35.9 | Very low | 38.1 | Very low | 119 Ų | 119 | 104.9 Ų | 104.9 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 119.9 | 166.7 | -65.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 445 | T | 39.6 | Very low | 38.5 | Very low | 50 Ų | 50 | 94.9 Ų | 94.9 | 31% | 0.307 | 54% | 0.541 | S | S | . | . | | | trans | -86.8 | 165 | 174.5 | 70.8 | 0 | 0 | 0 | 0 | 110.2 | K443 Y447 V449 D451 | K443-T445 PolarHBondContact O-N 3.14Å; T445-Y447 CarbonylContact C-O 3.58Å; T445-Y447 PolarHBondContact O-N 3.26Å; T445-Y447 PolarHBondContact OG1-O 3.15Å; T445-V449 PolarHBondContact N-O 3.07Å; T445-V449 PolarHBondContact OG1-O 3.05Å; T445-D451 HydrophobicContact CG2-CB 3.75Å |
| 446 | P | 34.4 | Very low | 38.6 | Very low | 126 Ų | 126 | 96.5 Ų | 96.5 | 82% | 0.818 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -70.9 | -15.8 | 178.8 | 27.3 | -35.4 | 0 | 0 | 0 | 113.6 | | |
| 447 | Y | 31.6 | Very low | 38.9 | Very low | 183 Ų | 183 | 96.6 Ų | 96.6 | 72% | 0.718 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -88.4 | 154 | 163.6 | -45.8 | -74.3 | 0 | 0 | 0 | 108.1 | T445 V449 | T445-Y447 CarbonylContact C-O 3.58Å; T445-Y447 PolarHBondContact O-N 3.26Å; T445-Y447 PolarHBondContact OG1-O 3.15Å; Y447-V449 PolarHBondContact O-N 3Å |
| 448 | C | 34.3 | Very low | 38.9 | Very low | 149 Ų | 149 | 102.5 Ų | 102.5 | 100% | 1.007 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -73.3 | 60.7 | -176.1 | -64.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 449 | V | 33.8 | Very low | 38.6 | Very low | 91 Ų | 91 | 110.1 Ų | 110.1 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | | | trans | -137.4 | 129.4 | -174.9 | -177.8 | 0 | 0 | 0 | 0 | 107.5 | T445 Y447 | T445-V449 PolarHBondContact N-O 3.07Å; T445-V449 PolarHBondContact OG1-O 3.05Å; Y447-V449 PolarHBondContact O-N 3Å |
| 450 | I | 41.5 | Very low | 38.7 | Very low | 89 Ų | 89 | 110.1 Ų | 110.1 | 46% | 0.456 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.9 | 173.4 | -57.3 | 175.4 | 0 | 0 | 0 | 107.3 | L442 S452 | L442-I450 HydrophobicContact CB-CG2 3.84Å; L442-I450 HydrophobicContact CD1-CG2 4.34Å; L442-I450 HydrophobicContact CD2-CG2 3.85Å; L442-I450 HydrophobicContact CG-CG2 4.22Å; I450-S452 PolarHBondContact O-N 3.41Å |
| 451 | D | 40.1 | Very low | 38.5 | Very low | 46 Ų | 46 | 113.5 Ų | 113.5 | 25% | 0.246 | 60% | 0.604 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -78 | 119 | 172.6 | 170.5 | 22.5 | 0 | 0 | 0 | 109.7 | K443 T445 T453 | K443-D451 HydrophobicContact CB-CB 4.16Å; K443-D451 PolarHBondContact N-O 3.37Å; K443-D451 PolarHBondContact O-N 3.34Å; T445-D451 HydrophobicContact CG2-CB 3.75Å; D451-T453 VanDerWaalsContact CG-OG1 3.3Å; D451-T453 VanDerWaalsContact OD1-CB 3.26Å; D451-T453 WeakPolarHBondContact OD1-CB 3.28Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.09Å; D451-T453 PolarHBondContact OD1-N 3.03Å; D451-T453 PolarHBondContact OD1-OG1 3.07Å; D451-T453 PolarHBondContact OD2-OG1 3.25Å |
| 452 | S | 47.8 | Very low | 38.5 | Very low | 53 Ų | 53 | 109.9 Ų | 109.9 | 37% | 0.371 | 60% | 0.595 | S | S | . | * | | | trans | -113.2 | 14.4 | 179.4 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | I450 N454 C455 | I450-S452 PolarHBondContact O-N 3.41Å; S452-N454 PolarHBondContact O-N 3.11Å; S452-C455 VanDerWaalsContact O-CB 3.3Å; S452-C455 WeakPolarHBondContact O-CB 3.47Å; S452-C455 PolarHBondContact O-N 3.36Å |
| 453 | T | 46.5 | Very low | 38.4 | Very low | 99 Ų | 99 | 110.2 Ų | 110.2 | 61% | 0.607 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -25.8 | 177.2 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | D451 | D451-T453 VanDerWaalsContact CG-OG1 3.3Å; D451-T453 VanDerWaalsContact OD1-CB 3.26Å; D451-T453 WeakPolarHBondContact OD1-CB 3.28Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.09Å; D451-T453 PolarHBondContact OD1-N 3.03Å; D451-T453 PolarHBondContact OD1-OG1 3.07Å; D451-T453 PolarHBondContact OD2-OG1 3.25Å |
| 454 | N | 43.7 | Very low | 38.3 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 47% | 0.471 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.5 | 2.8 | 178.1 | -71 | -86.4 | 0 | 0 | 0 | 113.8 | G440 S452 | G440-N454 WeakPolarHBondContact CA-O 3.11Å; S452-N454 PolarHBondContact O-N 3.11Å |
| 455 | C | 41.9 | Very low | 38.4 | Very low | 11 Ų | 11 | 109 Ų | 109 | 7% | 0.074 | 59% | 0.589 | C | S | . | * | | | trans | -85.3 | 120.3 | 173.9 | -66.4 | 0 | 0 | 0 | 0 | 110.9 | L442 S452 F457 | L442-C455 VanDerWaalsContact CD2-SG 3.53Å; S452-C455 VanDerWaalsContact O-CB 3.3Å; S452-C455 WeakPolarHBondContact O-CB 3.47Å; S452-C455 PolarHBondContact O-N 3.36Å; C455-F457 HydrophobicContact CB-CE2 4.35Å; C455-F457 HydrophobicContact CB-CZ 4.13Å; C455-F457 WeakPolarHBondContact O-CE2 3.22Å |
| 456 | K | 37.2 | Very low | 38.4 | Very low | 154 Ų | 154 | 113.2 Ų | 113.2 | 67% | 0.67 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 138.4 | 166 | -69.7 | -178 | -179.9 | -177.7 | 0 | 108.7 | S438 Y439 | S438-K456 WeakPolarHBondContact CA-O 3.36Å; Y439-K456 HydrophobicContact CD2-CB 4.02Å; Y439-K456 WeakPolarHBondContact CE1-O 3.13Å; Y439-K456 HydrophobicContact CE2-CB 3.43Å; Y439-K456 VanDerWaalsContact CE2-CB 3.43Å; Y439-K456 PolarHBondContact N-O 3.02Å; Y439-K456 PolarHBondContact O-N 3.25Å |
| 457 | F | 40.2 | Very low | 38.7 | Very low | 129 Ų | 129 | 112.2 Ų | 112.2 | 57% | 0.566 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.7 | -178.7 | -56.5 | -89.1 | 0 | 0 | 0 | 109.7 | C455 | C455-F457 HydrophobicContact CB-CE2 4.35Å; C455-F457 HydrophobicContact CB-CZ 4.13Å; C455-F457 WeakPolarHBondContact O-CE2 3.22Å |
| 458 | F | 33.4 | Very low | 39.2 | Very low | 163 Ų | 163 | 106.3 Ų | 106.3 | 72% | 0.715 | 58% | 0.582 | S | S | * | * | | | trans | -95.6 | 145.7 | 160.8 | -100.2 | -60 | 0 | 0 | 0 | 110.1 | G437 Y439 | G437-F458 PolarHBondContact O-N 3.09Å; G437-F458 VanDerWaalsContact O-N 3.07Å; Y439-F458 HydrophobicContact CE1-CB 4.28Å; Y439-F458 AromaticContact CE1-CD2 3.68Å; Y439-F458 HydrophobicContact CE1-CD2 3.68Å; Y439-F458 HydrophobicContact CE1-CG 4.37Å; Y439-F458 AromaticContact CZ-CD2 3.62Å; Y439-F458 WeakPolarHBondContact OH-CD2 3.47Å; Y439-F458 WeakPolarHBondContact OH-CE2 3.42Å |
| 459 | T | 30.6 | Very low | 39.7 | Very low | 204 Ų | 204 | 102.5 Ų | 102.5 | 100% | 1.252 | 54% | 0.544 | S | S | * | . | | | trans | -91.6 | 0 | 175.5 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | | |