| 1 | M | 35.3 | Very low | 37.7 | Very low | 230 Ų | 230 | 168 Ų | 168 | 100% | 1.133 | 87% | 0.867 | S | S | * | * | | | | 0 | 92.1 | 0 | -59.9 | 174.6 | 92.6 | 0 | 0 | 106 | | |
| 2 | Q | 37.2 | Very low | 37.3 | Very low | 167 Ų | 167 | 167.6 Ų | 167.6 | 78% | 0.78 | 87% | 0.866 | S | S | * | * | | | | 96.8 | 82.6 | 101.1 | -156.4 | 159.9 | 8.9 | 0 | 0 | 109.2 | | |
| 3 | T | 42.2 | Very low | 36.9 | Very low | 134 Ų | 134 | 158.7 Ų | 158.7 | 82% | 0.822 | 84% | 0.841 | S | S | * | * | | | | 56.8 | 123 | 99.1 | 64.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 4 | G | 33.9 | Very low | 37.2 | Very low | 77 Ų | 77 | 158.6 Ų | 158.6 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | | | trans | 179 | 50.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H6 | G4-H6 PolarHBondContact O-N 3.04Š|
| 5 | R | 39.9 | Very low | 37.2 | Very low | 255 Ų | 255 | 163.2 Ų | 163.2 | 96% | 0.962 | 84% | 0.842 | S | S | * | * | | | trans | -77.1 | 108.2 | 165.2 | -94.6 | -176.6 | 153.7 | -168.6 | -6.3 | 108.1 | | |
| 6 | H | 40.3 | Very low | 37.3 | Very low | 191 Ų | 191 | 157.6 Ų | 157.6 | 88% | 0.884 | 84% | 0.836 | S | S | * | * | | | trans | -83 | 118 | 172.3 | -134.4 | 63.9 | 0 | 0 | 0 | 108.7 | G4 | G4-H6 PolarHBondContact O-N 3.04Š|
| 7 | G | 38.6 | Very low | 37.6 | Very low | 68 Ų | 68 | 154.4 Ų | 154.4 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | | | trans | -73.8 | 128.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C9 | G7-C9 PolarHBondContact O-N 3.38Š|
| 8 | H | 37.1 | Very low | 37.5 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | | | trans | -80.3 | 101.8 | 172.9 | -134.2 | -109.4 | 0 | 0 | 0 | 108.3 | M10 | H8-M10 PolarHBondContact O-N 3.23Š|
| 9 | C | 37.2 | Very low | 37.8 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | | | trans | -77.7 | 108 | 170.5 | -166.6 | 0 | 0 | 0 | 0 | 108.1 | G7 R11 | G7-C9 PolarHBondContact O-N 3.38Å; C9-R11 PolarHBondContact O-N 3.43Å; C9-R11 VanDerWaalsContact O-N 3.07Å |
| 10 | M | 34.7 | Very low | 37.8 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | | | trans | -69.8 | 102.1 | 167.4 | -81.6 | -172.2 | 177.7 | 0 | 0 | 108.6 | H8 | H8-M10 PolarHBondContact O-N 3.23Š|
| 11 | R | 38 | Very low | 38.1 | Very low | 238 Ų | 238 | 143.4 Ų | 143.4 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | | | trans | -86.8 | 109.3 | 170 | -167.5 | 173.1 | -171.8 | 153.5 | 0.9 | 107.6 | C9 G13 | C9-R11 PolarHBondContact O-N 3.43Å; C9-R11 VanDerWaalsContact O-N 3.07Å; R11-G13 PolarHBondContact O-N 3.27Å |
| 12 | L | 33.6 | Very low | 38.4 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -65 | 97.9 | 171.9 | -167.4 | 72.3 | 0 | 0 | 0 | 108.4 | | |
| 13 | G | 32.2 | Very low | 39 | Very low | 52 Ų | 52 | 140 Ų | 140 | 54% | 0.536 | 82% | 0.817 | S | S | . | * | | | trans | -83.5 | 108 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R11 Y15 | R11-G13 PolarHBondContact O-N 3.27Å; G13-Y15 PolarHBondContact O-N 3.44Å |
| 14 | I | 40.1 | Very low | 39.2 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | | | trans | -74.2 | 103.6 | 166.2 | -57.4 | -171.5 | 0 | 0 | 0 | 106.8 | G16 | I14-G16 PolarHBondContact O-N 3.33Š|
| 15 | Y | 37.1 | Very low | 39.7 | Very low | 227 Ų | 227 | 140.9 Ų | 140.9 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | | | trans | -72.6 | 106.7 | 171.2 | -82.2 | -90.7 | 0 | 0 | 0 | 109.2 | G13 A17 | G13-Y15 PolarHBondContact O-N 3.44Å; Y15-A17 PolarHBondContact O-N 3.37Å |
| 16 | G | 40 | Very low | 39.8 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | -74.6 | 109.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | I14 A18 | I14-G16 PolarHBondContact O-N 3.33Å; G16-A18 PolarHBondContact O-N 3.22Å |
| 17 | A | 41.1 | Very low | 40.1 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -72.6 | 112.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y15 | Y15-A17 PolarHBondContact O-N 3.37Š|
| 18 | A | 37 | Very low | 40.6 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | -69.8 | 142.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G16 | G16-A18 PolarHBondContact O-N 3.22Š|
| 19 | A | 43.3 | Very low | 41.2 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -65.8 | 140.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 20 | G | 37.2 | Very low | 41.8 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -138.2 | 132.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 21 | S | 43.2 | Very low | 42.7 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | -6 | 126.4 | 169.9 | -131.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 22 | E | 43 | Very low | 43.5 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | | -176 | 142.7 | 67.7 | 44.9 | -153.1 | 76.7 | 0 | 0 | 110.4 | T24 | E22-T24 PolarHBondContact O-N 3.03Å; E22-T24 VanDerWaalsContact O-N 3.08Å |
| 23 | D | 48.7 | Very low | 44.5 | Very low | 156 Ų | 156 | 122.5 Ų | 122.5 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -66.9 | 96.4 | -169 | -69.3 | -55.9 | 0 | 0 | 0 | 113.5 | | |
| 24 | T | 47.4 | Very low | 45.7 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 91% | 0.914 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -172.5 | 16.5 | 153.4 | 14.2 | 0 | 0 | 0 | 0 | 116.5 | E22 | E22-T24 PolarHBondContact O-N 3.03Å; E22-T24 VanDerWaalsContact O-N 3.08Å |
| 25 | A | 44.3 | Very low | 46.7 | Very low | 81 Ų | 81 | 121.7 Ų | 121.7 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | | | trans | -125.1 | 9.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 26 | R | 42.8 | Very low | 47.7 | Very low | 212 Ų | 212 | 113 Ų | 113 | 80% | 0.8 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -83.9 | -14 | -170.5 | -81.4 | -173 | 150.4 | -146 | -6.2 | 116.6 | | |
| 27 | L | 46.4 | Very low | 48.8 | Very low | 163 Ų | 163 | 114.7 Ų | 114.7 | 85% | 0.853 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -83.2 | -20.2 | -179.4 | -85 | 151.7 | 0 | 0 | 0 | 114.1 | | |
| 28 | K | 49.2 | Very low | 49.8 | Very low | 169 Ų | 169 | 116.7 Ų | 116.7 | 74% | 0.735 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -88.3 | -36.2 | -176.4 | -159.4 | 163.9 | -177.7 | 174.7 | 0 | 113.6 | Q30 E32 | K28-Q30 PolarHBondContact O-N 3.32Å; K28-E32 WeakPolarHBondContact O-CG 3.46Å; K28-E32 PolarHBondContact O-N 3.02Å |
| 29 | S | 48.1 | Very low | 51 | Low | 75 Ų | 75 | 116.7 Ų | 116.7 | 52% | 0.524 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -73.7 | -26.9 | 179.2 | 84.7 | 0 | 0 | 0 | 0 | 113.6 | L33 | S29-L33 PolarHBondContact O-N 3.31Å |
| 30 | Q | 51.3 | Low | 52 | Low | 116 Ų | 116 | 117.8 Ų | 117.8 | 54% | 0.542 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -70.9 | -40.2 | 177.5 | -157.6 | 177.7 | -1.7 | 0 | 0 | 110.9 | K28 L33 F34 | K28-Q30 PolarHBondContact O-N 3.32Å; Q30-L33 PolarHBondContact O-N 3.15Å; Q30-F34 HydrophobicContact CG-CD2 4.03Å; Q30-F34 HydrophobicContact CG-CE2 3.84Å; Q30-F34 WeakPolarHBondContact O-CD2 3.47Å; Q30-F34 PolarHBondContact O-N 3.44Å; Q30-F34 VanDerWaalsContact O-N 3.08Å |
| 31 | G | 53.3 | Low | 53.3 | Low | 42 Ų | 42 | 117.3 Ų | 117.3 | 43% | 0.433 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.7 | -37.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F34 S35 | G31-F34 PolarHBondContact O-N 3.26Å; G31-S35 WeakPolarHBondContact O-CB 3.43Å; G31-S35 PolarHBondContact O-N 3.46Å |
| 32 | E | 53.4 | Low | 54.2 | Low | 127 Ų | 127 | 115 Ų | 115 | 59% | 0.593 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.3 | -39.9 | 177.2 | -69 | -67 | 146.7 | 0 | 0 | 112.2 | K28 S35 A36 | K28-E32 WeakPolarHBondContact O-CG 3.46Å; K28-E32 PolarHBondContact O-N 3.02Å; E32-S35 PolarHBondContact O-N 3.43Å; E32-A36 WeakPolarHBondContact O-CB 3.37Å; E32-A36 PolarHBondContact O-N 3.13Å |
| 33 | L | 56.1 | Low | 55.4 | Low | 113 Ų | 113 | 112 Ų | 112 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67 | -40.5 | 175.1 | -83.1 | 166.6 | 0 | 0 | 0 | 112.3 | S29 Q30 A36 L37 | S29-L33 PolarHBondContact O-N 3.31Å; Q30-L33 PolarHBondContact O-N 3.15Å; L33-A36 PolarHBondContact O-N 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.18Å; L33-L37 WeakPolarHBondContact O-CD1 3.44Å; L33-L37 PolarHBondContact O-N 3.41Å |
| 34 | F | 57.7 | Low | 56.3 | Low | 134 Ų | 134 | 111.2 Ų | 111.2 | 59% | 0.588 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.6 | -39.6 | 174.1 | -85.6 | -72.1 | 0 | 0 | 0 | 111.8 | Q30 G31 F38 | Q30-F34 HydrophobicContact CG-CD2 4.03Å; Q30-F34 HydrophobicContact CG-CE2 3.84Å; Q30-F34 WeakPolarHBondContact O-CD2 3.47Å; Q30-F34 PolarHBondContact O-N 3.44Å; Q30-F34 VanDerWaalsContact O-N 3.08Å; G31-F34 PolarHBondContact O-N 3.26Å; F34-F38 WeakPolarHBondContact O-CB 3.38Å; F34-F38 PolarHBondContact O-N 3.27Å |
| 35 | S | 59.3 | Low | 57.2 | Low | 59 Ų | 59 | 109.7 Ų | 109.7 | 41% | 0.413 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.3 | -46.3 | 175.4 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | G31 E32 F38 L39 | G31-S35 WeakPolarHBondContact O-CB 3.43Å; G31-S35 PolarHBondContact O-N 3.46Å; E32-S35 PolarHBondContact O-N 3.43Å; S35-F38 PolarHBondContact O-N 3.19Å; S35-L39 WeakPolarHBondContact O-CB 3.32Å; S35-L39 VanDerWaalsContact O-CG 3.29Å; S35-L39 WeakPolarHBondContact O-CG 3.47Å; S35-L39 PolarHBondContact O-N 3.27Å |
| 36 | A | 58.3 | Low | 58.5 | Low | 45 Ų | 45 | 113.9 Ų | 113.9 | 37% | 0.372 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E32 L33 F38 L39 L40 | E32-A36 WeakPolarHBondContact O-CB 3.37Å; E32-A36 PolarHBondContact O-N 3.13Å; L33-A36 PolarHBondContact O-N 3.27Å; A36-F38 VanDerWaalsContact C-N 3.31Å; A36-F38 PolarHBondContact O-N 3.08Å; A36-L39 PolarHBondContact O-N 3.33Å; A36-L40 VanDerWaalsContact O-CD1 3.24Å; A36-L40 WeakPolarHBondContact O-CD1 3.43Å; A36-L40 PolarHBondContact O-N 3.35Å |
| 37 | L | 63.6 | Low | 59.8 | Low | 109 Ų | 109 | 108.6 Ų | 108.6 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.4 | -35.5 | 174 | -88.6 | 153.2 | 0 | 0 | 0 | 112.4 | L33 S41 | L33-L37 WeakPolarHBondContact O-CB 3.18Å; L33-L37 WeakPolarHBondContact O-CD1 3.44Å; L33-L37 PolarHBondContact O-N 3.41Å; L37-S41 VanDerWaalsContact O-CB 3.31Å; L37-S41 WeakPolarHBondContact O-CB 3.48Å; L37-S41 PolarHBondContact O-N 3.08Å; L37-S41 PolarHBondContact O-OG 2.93Å |
| 38 | F | 61.7 | Low | 60.8 | Low | 145 Ų | 145 | 103.6 Ų | 103.6 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.3 | -40.9 | 177.5 | -158.3 | -94.7 | 0 | 0 | 0 | 111.6 | F34 S35 A36 S41 C42 | F34-F38 WeakPolarHBondContact O-CB 3.38Å; F34-F38 PolarHBondContact O-N 3.27Å; S35-F38 PolarHBondContact O-N 3.19Å; A36-F38 VanDerWaalsContact C-N 3.31Å; A36-F38 PolarHBondContact O-N 3.08Å; F38-S41 PolarHBondContact O-N 3.38Å; F38-C42 WeakPolarHBondContact O-CB 3.27Å; F38-C42 PolarHBondContact O-N 2.88Å |
| 39 | L | 63.1 | Low | 61.7 | Low | 100 Ų | 100 | 102.2 Ų | 102.2 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 174.2 | -69.6 | 172.9 | 0 | 0 | 0 | 111.3 | S35 A36 S41 C42 D43 | S35-L39 WeakPolarHBondContact O-CB 3.32Å; S35-L39 VanDerWaalsContact O-CG 3.29Å; S35-L39 WeakPolarHBondContact O-CG 3.47Å; S35-L39 PolarHBondContact O-N 3.27Å; A36-L39 PolarHBondContact O-N 3.33Å; L39-S41 VanDerWaalsContact C-N 3.27Å; L39-S41 PolarHBondContact O-N 3.29Å; L39-C42 PolarHBondContact O-N 3.3Å; L39-C42 VanDerWaalsContact O-N 3.15Å; L39-D43 WeakPolarHBondContact O-CB 3.38Å; L39-D43 VanDerWaalsContact O-CG 3.3Å; L39-D43 PolarHBondContact O-N 3.26Å |
| 40 | L | 64.2 | Low | 62.7 | Low | 127 Ų | 127 | 101.7 Ų | 101.7 | 67% | 0.665 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.1 | -37.4 | 174.5 | -97.1 | 101.7 | 0 | 0 | 0 | 112.7 | A36 F44 | A36-L40 VanDerWaalsContact O-CD1 3.24Å; A36-L40 WeakPolarHBondContact O-CD1 3.43Å; A36-L40 PolarHBondContact O-N 3.35Å; L40-F44 VanDerWaalsContact O-CB 3.3Å; L40-F44 WeakPolarHBondContact O-CB 3.4Å; L40-F44 PolarHBondContact O-N 3.47Å |
| 41 | S | 63.9 | Low | 63.7 | Low | 63 Ų | 63 | 101 Ų | 101 | 44% | 0.441 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.7 | -39.3 | 177.5 | -62.9 | 0 | 0 | 0 | 0 | 112 | L37 F38 L39 L45 | L37-S41 VanDerWaalsContact O-CB 3.31Å; L37-S41 WeakPolarHBondContact O-CB 3.48Å; L37-S41 PolarHBondContact O-N 3.08Å; L37-S41 PolarHBondContact O-OG 2.93Å; F38-S41 PolarHBondContact O-N 3.38Å; L39-S41 VanDerWaalsContact C-N 3.27Å; L39-S41 PolarHBondContact O-N 3.29Å; S41-L45 WeakPolarHBondContact O-CB 3.19Å; S41-L45 WeakPolarHBondContact O-CD1 3.35Å; S41-L45 VanDerWaalsContact O-CG 3.31Å; S41-L45 WeakPolarHBondContact O-CG 3.27Å; S41-L45 PolarHBondContact O-N 3.35Å |
| 42 | C | 62.3 | Low | 64.3 | Low | 60 Ų | 60 | 100.4 Ų | 100.4 | 41% | 0.405 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 174.4 | -88.8 | 0 | 0 | 0 | 0 | 111.7 | F38 L39 L45 Y46 | F38-C42 WeakPolarHBondContact O-CB 3.27Å; F38-C42 PolarHBondContact O-N 2.88Å; L39-C42 PolarHBondContact O-N 3.3Å; L39-C42 VanDerWaalsContact O-N 3.15Å; C42-L45 PolarHBondContact O-N 3.48Å; C42-Y46 VanDerWaalsContact O-CB 3.29Å; C42-Y46 WeakPolarHBondContact O-CB 3.31Å; C42-Y46 PolarHBondContact O-N 3.28Å |
| 43 | D | 67.5 | Low | 64.9 | Low | 106 Ų | 106 | 101.2 Ų | 101.2 | 57% | 0.567 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | 177.4 | -68.9 | -33.9 | 0 | 0 | 0 | 111.2 | L39 Y46 L47 | L39-D43 WeakPolarHBondContact O-CB 3.38Å; L39-D43 VanDerWaalsContact O-CG 3.3Å; L39-D43 PolarHBondContact O-N 3.26Å; D43-Y46 PolarHBondContact O-N 3.17Å; D43-L47 WeakPolarHBondContact O-CB 3.45Å; D43-L47 PolarHBondContact O-N 3.48Å |
| 44 | F | 67.6 | Low | 65.3 | Low | 141 Ų | 141 | 101.8 Ų | 101.8 | 62% | 0.618 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.6 | -38.6 | 175.9 | -171.1 | -95.3 | 0 | 0 | 0 | 112.9 | L40 S48 | L40-F44 VanDerWaalsContact O-CB 3.3Å; L40-F44 WeakPolarHBondContact O-CB 3.4Å; L40-F44 PolarHBondContact O-N 3.47Å; F44-S48 VanDerWaalsContact O-CB 3.29Å; F44-S48 WeakPolarHBondContact O-CB 3.24Å; F44-S48 PolarHBondContact O-N 3.04Å; F44-S48 PolarHBondContact O-OG 3.06Å |
| 45 | L | 66.5 | Low | 65.6 | Low | 117 Ų | 117 | 97.1 Ų | 97.1 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69 | -39.8 | 175 | -79.8 | 165.6 | 0 | 0 | 0 | 111.7 | S41 C42 K49 | S41-L45 WeakPolarHBondContact O-CB 3.19Å; S41-L45 WeakPolarHBondContact O-CD1 3.35Å; S41-L45 VanDerWaalsContact O-CG 3.31Å; S41-L45 WeakPolarHBondContact O-CG 3.27Å; S41-L45 PolarHBondContact O-N 3.35Å; C42-L45 PolarHBondContact O-N 3.48Å; L45-K49 WeakPolarHBondContact O-CB 3.34Å; L45-K49 PolarHBondContact O-N 3.19Å |
| 46 | Y | 72 | Confident | 65.8 | Low | 169 Ų | 169 | 100.1 Ų | 100.1 | 66% | 0.663 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.6 | -46 | 175.4 | -173.3 | -99.7 | 0 | 0 | 0 | 110.6 | C42 D43 S48 K49 V50 | C42-Y46 VanDerWaalsContact O-CB 3.29Å; C42-Y46 WeakPolarHBondContact O-CB 3.31Å; C42-Y46 PolarHBondContact O-N 3.28Å; D43-Y46 PolarHBondContact O-N 3.17Å; Y46-S48 PolarHBondContact O-N 2.76Å; Y46-K49 PolarHBondContact O-N 3.05Å; Y46-K49 VanDerWaalsContact O-N 3.15Å; Y46-V50 HydrophobicContact CD1-CG2 3.97Å; Y46-V50 HydrophobicContact CE1-CG2 3.66Å; Y46-V50 HydrophobicContact CE2-CG2 4.42Å; Y46-V50 HydrophobicContact CG-CG2 4.47Å; Y46-V50 WeakPolarHBondContact O-CB 3.4Å; Y46-V50 VanDerWaalsContact O-CG2 3.27Å; Y46-V50 WeakPolarHBondContact O-CG2 3.27Å; Y46-V50 PolarHBondContact O-N 3.33Å |
| 47 | L | 69.6 | Low | 65.9 | Low | 100 Ų | 100 | 101.4 Ų | 101.4 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.5 | -169 | 64.6 | 0 | 0 | 0 | 111.6 | D43 K49 V50 I51 | D43-L47 WeakPolarHBondContact O-CB 3.45Å; D43-L47 PolarHBondContact O-N 3.48Å; L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 PolarHBondContact O-N 2.94Å; L47-V50 PolarHBondContact O-N 3.1Å; L47-I51 HydrophobicContact CD1-CD1 4.35Å; L47-I51 HydrophobicContact CG-CD1 3.88Å; L47-I51 WeakPolarHBondContact O-CB 3.1Å; L47-I51 WeakPolarHBondContact O-CD1 3.1Å; L47-I51 WeakPolarHBondContact O-CG1 3.09Å; L47-I51 PolarHBondContact O-N 3.02Å |
| 48 | S | 67.8 | Low | 65.5 | Low | 58 Ų | 58 | 98.9 Ų | 98.9 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -36.9 | 174.1 | -71 | 0 | 0 | 0 | 0 | 112.4 | F44 Y46 G52 | F44-S48 VanDerWaalsContact O-CB 3.29Å; F44-S48 WeakPolarHBondContact O-CB 3.24Å; F44-S48 PolarHBondContact O-N 3.04Å; F44-S48 PolarHBondContact O-OG 3.06Å; Y46-S48 PolarHBondContact O-N 2.76Å; S48-G52 PolarHBondContact O-N 3.29Å |
| 49 | K | 67.9 | Low | 65.3 | Low | 140 Ų | 140 | 96.8 Ų | 96.8 | 61% | 0.609 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -73.8 | -40.8 | 179.4 | -163.3 | 158 | 180 | 166.7 | 0 | 111.5 | L45 Y46 L47 G52 F53 | L45-K49 WeakPolarHBondContact O-CB 3.34Å; L45-K49 PolarHBondContact O-N 3.19Å; Y46-K49 PolarHBondContact O-N 3.05Å; Y46-K49 VanDerWaalsContact O-N 3.15Å; L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 PolarHBondContact O-N 2.94Å; K49-G52 PolarHBondContact O-N 2.68Å; K49-F53 HydrophobicContact CG-CD2 3.97Å; K49-F53 HydrophobicContact CG-CE2 3.81Å; K49-F53 WeakPolarHBondContact O-CD2 3.39Å; K49-F53 PolarHBondContact O-N 3.49Å |
| 50 | V | 70.5 | Confident | 65 | Low | 64 Ų | 64 | 97.4 Ų | 97.4 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 173.4 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | Y46 L47 G52 F53 L54 | Y46-V50 HydrophobicContact CD1-CG2 3.97Å; Y46-V50 HydrophobicContact CE1-CG2 3.66Å; Y46-V50 HydrophobicContact CE2-CG2 4.42Å; Y46-V50 HydrophobicContact CG-CG2 4.47Å; Y46-V50 WeakPolarHBondContact O-CB 3.4Å; Y46-V50 VanDerWaalsContact O-CG2 3.27Å; Y46-V50 WeakPolarHBondContact O-CG2 3.27Å; Y46-V50 PolarHBondContact O-N 3.33Å; L47-V50 PolarHBondContact O-N 3.1Å; V50-G52 VanDerWaalsContact C-N 3.32Å; V50-G52 PolarHBondContact O-N 3.12Å; V50-F53 PolarHBondContact O-N 2.65Å; V50-L54 WeakPolarHBondContact O-CB 3.27Å; V50-L54 PolarHBondContact O-N 2.7Å |
| 51 | I | 70.8 | Confident | 64.8 | Low | 101 Ų | 101 | 95.5 Ų | 95.5 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 174 | -68.4 | 165.2 | 0 | 0 | 0 | 110.5 | L47 L54 A55 | L47-I51 HydrophobicContact CD1-CD1 4.35Å; L47-I51 HydrophobicContact CG-CD1 3.88Å; L47-I51 WeakPolarHBondContact O-CB 3.1Å; L47-I51 WeakPolarHBondContact O-CD1 3.1Å; L47-I51 WeakPolarHBondContact O-CG1 3.09Å; L47-I51 PolarHBondContact O-N 3.02Å; I51-L54 PolarHBondContact O-N 3.18Å; I51-A55 WeakPolarHBondContact O-CB 3.36Å; I51-A55 PolarHBondContact O-N 3.32Å |
| 52 | G | 66.2 | Low | 64.5 | Low | 31 Ų | 31 | 98 Ų | 98 | 32% | 0.32 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S48 K49 V50 A55 M56 | S48-G52 PolarHBondContact O-N 3.29Å; K49-G52 PolarHBondContact O-N 2.68Å; V50-G52 VanDerWaalsContact C-N 3.32Å; V50-G52 PolarHBondContact O-N 3.12Å; G52-A55 PolarHBondContact O-N 2.96Å; G52-M56 WeakPolarHBondContact O-CB 3.15Å; G52-M56 VanDerWaalsContact O-CG 3.24Å; G52-M56 WeakPolarHBondContact O-CG 3.4Å; G52-M56 PolarHBondContact O-N 3.43Å |
| 53 | F | 66 | Low | 64.2 | Low | 143 Ų | 143 | 102.4 Ų | 102.4 | 63% | 0.627 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67 | -39.1 | 176.2 | -87.7 | -70.7 | 0 | 0 | 0 | 112.3 | K49 V50 S57 | K49-F53 HydrophobicContact CG-CD2 3.97Å; K49-F53 HydrophobicContact CG-CE2 3.81Å; K49-F53 WeakPolarHBondContact O-CD2 3.39Å; K49-F53 PolarHBondContact O-N 3.49Å; V50-F53 PolarHBondContact O-N 2.65Å; F53-S57 VanDerWaalsContact O-CB 3.27Å; F53-S57 WeakPolarHBondContact O-CB 3.29Å; F53-S57 PolarHBondContact O-N 3.07Å |
| 54 | L | 64.2 | Low | 63.6 | Low | 126 Ų | 126 | 104.4 Ų | 104.4 | 66% | 0.66 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.6 | -39.6 | 175.7 | -161.4 | 71.1 | 0 | 0 | 0 | 111.2 | V50 I51 S57 C58 | V50-L54 WeakPolarHBondContact O-CB 3.27Å; V50-L54 PolarHBondContact O-N 2.7Å; I51-L54 PolarHBondContact O-N 3.18Å; L54-S57 PolarHBondContact O-N 3.08Å; L54-C58 WeakPolarHBondContact O-CB 3.27Å; L54-C58 PolarHBondContact O-N 2.91Å; L54-C58 PolarHBondContact O-SG 3.29Å; L54-C58 VanDerWaalsContact O-SG 3.34Å |
| 55 | A | 64.1 | Low | 63 | Low | 36 Ų | 36 | 105.8 Ų | 105.8 | 30% | 0.298 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I51 G52 C58 L59 | I51-A55 WeakPolarHBondContact O-CB 3.36Å; I51-A55 PolarHBondContact O-N 3.32Å; G52-A55 PolarHBondContact O-N 2.96Å; A55-C58 VanDerWaalsContact CA-SG 3.55Å; A55-C58 PolarHBondContact O-SG 3.46Å; A55-L59 WeakPolarHBondContact O-CB 3.15Å; A55-L59 PolarHBondContact O-N 3.42Å |
| 56 | M | 63.3 | Low | 62.3 | Low | 121 Ų | 121 | 104.6 Ų | 104.6 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.3 | -36.9 | 176.7 | -67.4 | -62.8 | 94.1 | 0 | 0 | 112.1 | G52 L59 D60 | G52-M56 WeakPolarHBondContact O-CB 3.15Å; G52-M56 VanDerWaalsContact O-CG 3.24Å; G52-M56 WeakPolarHBondContact O-CG 3.4Å; G52-M56 PolarHBondContact O-N 3.43Å; M56-L59 HydrophobicContact CE-CD1 4.46Å; M56-D60 PolarHBondContact O-N 3.5Å; M56-D60 VanDerWaalsContact O-N 3.15Å |
| 57 | S | 61 | Low | 61.2 | Low | 72 Ų | 72 | 103.7 Ų | 103.7 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 174.6 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | F53 L54 D60 V61 | F53-S57 VanDerWaalsContact O-CB 3.27Å; F53-S57 WeakPolarHBondContact O-CB 3.29Å; F53-S57 PolarHBondContact O-N 3.07Å; L54-S57 PolarHBondContact O-N 3.08Å; S57-D60 PolarHBondContact O-N 2.99Å; S57-V61 WeakPolarHBondContact O-CG2 3.32Å; S57-V61 PolarHBondContact O-N 3.03Å; S57-V61 VanDerWaalsContact O-N 3.09Å |
| 58 | C | 54.9 | Low | 60.1 | Low | 57 Ų | 57 | 100.9 Ų | 100.9 | 39% | 0.385 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.5 | -31.6 | 178 | 74.4 | 0 | 0 | 0 | 0 | 112.8 | L54 A55 D60 M62 | L54-C58 WeakPolarHBondContact O-CB 3.27Å; L54-C58 PolarHBondContact O-N 2.91Å; L54-C58 PolarHBondContact O-SG 3.29Å; L54-C58 VanDerWaalsContact O-SG 3.34Å; A55-C58 VanDerWaalsContact CA-SG 3.55Å; A55-C58 PolarHBondContact O-SG 3.46Å; C58-D60 VanDerWaalsContact C-N 3.33Å; C58-M62 VanDerWaalsContact O-CB 3.31Å; C58-M62 WeakPolarHBondContact O-CB 3.45Å; C58-M62 VanDerWaalsContact O-CG 3.27Å; C58-M62 WeakPolarHBondContact O-CG 3.44Å; C58-M62 PolarHBondContact O-N 3.01Å |
| 59 | L | 58.4 | Low | 59.1 | Low | 101 Ų | 101 | 102.2 Ų | 102.2 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.8 | -43.8 | 172.1 | -125.8 | 105.3 | 0 | 0 | 0 | 110.6 | A55 M56 M62 Y63 | A55-L59 WeakPolarHBondContact O-CB 3.15Å; A55-L59 PolarHBondContact O-N 3.42Å; M56-L59 HydrophobicContact CE-CD1 4.46Å; L59-M62 PolarHBondContact O-N 3.3Å; L59-Y63 WeakPolarHBondContact O-CB 3.37Å; L59-Y63 PolarHBondContact O-N 2.95Å |
| 60 | D | 56.2 | Low | 58.3 | Low | 112 Ų | 112 | 103.2 Ų | 103.2 | 60% | 0.599 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.5 | -43.8 | -177.8 | -152.4 | 28.8 | 0 | 0 | 0 | 111.1 | M56 S57 C58 H64 | M56-D60 PolarHBondContact O-N 3.5Å; M56-D60 VanDerWaalsContact O-N 3.15Å; S57-D60 PolarHBondContact O-N 2.99Å; C58-D60 VanDerWaalsContact C-N 3.33Å; D60-H64 WeakPolarHBondContact O-CB 3.42Å; D60-H64 PolarHBondContact O-N 3.47Å |
| 61 | V | 60.8 | Low | 57.3 | Low | 87 Ų | 87 | 110.7 Ų | 110.7 | 53% | 0.527 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.3 | -44.8 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | S57 Q65 | S57-V61 WeakPolarHBondContact O-CG2 3.32Å; S57-V61 PolarHBondContact O-N 3.03Å; S57-V61 VanDerWaalsContact O-N 3.09Å; V61-Q65 VanDerWaalsContact O-CB 3.32Å; V61-Q65 WeakPolarHBondContact O-CB 3.19Å; V61-Q65 PolarHBondContact O-N 3.39Å |
| 62 | M | 57.2 | Low | 56.2 | Low | 116 Ų | 116 | 111.8 Ų | 111.8 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.1 | -35.1 | 179.9 | -71.2 | -166.1 | -58.7 | 0 | 0 | 112.8 | C58 L59 S66 | C58-M62 VanDerWaalsContact O-CB 3.31Å; C58-M62 WeakPolarHBondContact O-CB 3.45Å; C58-M62 VanDerWaalsContact O-CG 3.27Å; C58-M62 WeakPolarHBondContact O-CG 3.44Å; C58-M62 PolarHBondContact O-N 3.01Å; L59-M62 PolarHBondContact O-N 3.3Å; M62-S66 WeakPolarHBondContact O-CB 3.46Å; M62-S66 PolarHBondContact O-N 2.84Å; M62-S66 VanDerWaalsContact O-N 3.08Å |
| 63 | Y | 56.1 | Low | 55.3 | Low | 153 Ų | 153 | 115.2 Ų | 115.2 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70 | -39.6 | 178 | -160.7 | -96.9 | 0 | 0 | 0 | 111 | L59 Y67 | L59-Y63 WeakPolarHBondContact O-CB 3.37Å; L59-Y63 PolarHBondContact O-N 2.95Å; Y63-Y67 HydrophobicContact CD2-CD2 4.39Å; Y63-Y67 WeakPolarHBondContact O-CB 3.24Å; Y63-Y67 PolarHBondContact O-N 2.9Å; Y63-Y67 VanDerWaalsContact O-N 3.12Å |
| 64 | H | 55.1 | Low | 54.6 | Low | 148 Ų | 148 | 112.8 Ų | 112.8 | 69% | 0.685 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.7 | -39.2 | 176 | -123 | -115.3 | 0 | 0 | 0 | 112.8 | D60 G68 | D60-H64 WeakPolarHBondContact O-CB 3.42Å; D60-H64 PolarHBondContact O-N 3.47Å; H64-G68 WeakPolarHBondContact O-CA 3.15Å; H64-G68 PolarHBondContact O-N 3.39Å |
| 65 | Q | 55 | Low | 54 | Low | 169 Ų | 169 | 111.1 Ų | 111.1 | 79% | 0.79 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -82.4 | -27.5 | -173.7 | -157.8 | 162.4 | 49.3 | 0 | 0 | 113.6 | V61 | V61-Q65 VanDerWaalsContact O-CB 3.32Å; V61-Q65 WeakPolarHBondContact O-CB 3.19Å; V61-Q65 PolarHBondContact O-N 3.39Å |
| 66 | S | 51.1 | Low | 53.3 | Low | 92 Ų | 92 | 111.1 Ų | 111.1 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -101.8 | -24.9 | -179.7 | -67.6 | 0 | 0 | 0 | 0 | 115.2 | M62 | M62-S66 WeakPolarHBondContact O-CB 3.46Å; M62-S66 PolarHBondContact O-N 2.84Å; M62-S66 VanDerWaalsContact O-N 3.08Å |
| 67 | Y | 49.8 | Very low | 52.6 | Low | 151 Ų | 151 | 113.8 Ų | 113.8 | 59% | 0.592 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -114.1 | -7.6 | -178.6 | -74.3 | -86.8 | 0 | 0 | 0 | 114.4 | Y63 A69 H70 | Y63-Y67 HydrophobicContact CD2-CD2 4.39Å; Y63-Y67 WeakPolarHBondContact O-CB 3.24Å; Y63-Y67 PolarHBondContact O-N 2.9Å; Y63-Y67 VanDerWaalsContact O-N 3.12Å; Y67-A69 PolarHBondContact O-N 3.41Å; Y67-H70 PolarHBondContact O-N 3.47Å |
| 68 | G | 46.6 | Very low | 52.1 | Low | 41 Ų | 41 | 116.7 Ų | 116.7 | 42% | 0.423 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.6 | -9.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | H64 | H64-G68 WeakPolarHBondContact O-CA 3.15Å; H64-G68 PolarHBondContact O-N 3.39Å |
| 69 | A | 45.4 | Very low | 52 | Low | 86 Ų | 86 | 117 Ų | 117 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -12.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y67 | Y67-A69 PolarHBondContact O-N 3.41Š|
| 70 | H | 50.8 | Low | 51.7 | Low | 160 Ų | 160 | 116.9 Ų | 116.9 | 74% | 0.741 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | -4.3 | -169.2 | -69.5 | -66.8 | 0 | 0 | 0 | 115.6 | Y67 | Y67-H70 PolarHBondContact O-N 3.47Š|
| 71 | Y | 51.1 | Low | 51.6 | Low | 222 Ų | 222 | 120.3 Ų | 120.3 | 87% | 0.871 | 64% | 0.638 | S | S | * | * | | | trans | -138.7 | 64.4 | 175.5 | -108.6 | -93.6 | 0 | 0 | 0 | 111.2 | | |
| 72 | L | 47.9 | Very low | 51.2 | Low | 123 Ų | 123 | 123.9 Ų | 123.9 | 64% | 0.644 | 64% | 0.643 | S | S | * | * | | | trans | -92.1 | 130.1 | 160.6 | -75.8 | -179.9 | 0 | 0 | 0 | 109.8 | A76 | L72-A76 HydrophobicContact CB-CB 4.18Å; L72-A76 HydrophobicContact CD1-CB 3.79Å; L72-A76 HydrophobicContact CG-CB 4.5Å |
| 73 | P | 46.5 | Very low | 51.2 | Low | 103 Ų | 103 | 123.7 Ų | 123.7 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | | | trans | -53.2 | 143.5 | 166.7 | -23.8 | 33.3 | 0 | 0 | 0 | 110.4 | A75 A76 | P73-A75 PolarHBondContact O-N 3.39Å; P73-A76 PolarHBondContact O-N 3.34Å |
| 74 | A | 50.3 | Low | 51.3 | Low | 92 Ų | 92 | 121.9 Ų | 121.9 | 76% | 0.76 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | 3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y77 | A74-Y77 WeakPolarHBondContact O-CD1 3.33Š|
| 75 | A | 52.9 | Low | 51.5 | Low | 91 Ų | 91 | 120 Ų | 120 | 75% | 0.752 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -19.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P73 | P73-A75 PolarHBondContact O-N 3.39Š|
| 76 | A | 48.3 | Very low | 51.7 | Low | 37 Ų | 37 | 118 Ų | 118 | 31% | 0.306 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84 | -15.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L72 P73 K78 A79 T80 | L72-A76 HydrophobicContact CB-CB 4.18Å; L72-A76 HydrophobicContact CD1-CB 3.79Å; L72-A76 HydrophobicContact CG-CB 4.5Å; P73-A76 PolarHBondContact O-N 3.34Å; A76-K78 PolarHBondContact O-N 3Å; A76-A79 PolarHBondContact O-N 3.42Å; A76-T80 PolarHBondContact O-OG1 3.45Å |
| 77 | Y | 49.6 | Very low | 52.2 | Low | 176 Ų | 176 | 118.9 Ų | 118.9 | 69% | 0.69 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.7 | -22.3 | -175.2 | 91.6 | -88.2 | 0 | 0 | 0 | 113.6 | A74 | A74-Y77 WeakPolarHBondContact O-CD1 3.33Å |
| 78 | K | 49.3 | Very low | 52.8 | Low | 133 Ų | 133 | 116.4 Ų | 116.4 | 58% | 0.578 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -78.6 | -24.9 | -178.6 | -121.4 | -167.1 | -178.9 | -162.2 | 0 | 113.4 | A76 Y82 | A76-K78 PolarHBondContact O-N 3Å; K78-Y82 WeakPolarHBondContact O-CD2 3.37Å |
| 79 | A | 53 | Low | 53.4 | Low | 63 Ų | 63 | 119.9 Ų | 119.9 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -80.9 | -30.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | A76 N83 | A76-A79 PolarHBondContact O-N 3.42Å; A79-N83 PolarHBondContact O-N 2.99Å; A79-N83 PolarHBondContact O-ND2 3.27Å; A79-N83 VanDerWaalsContact O-ND2 3.17Å |
| 80 | T | 53.1 | Low | 54.1 | Low | 99 Ų | 99 | 121.8 Ų | 121.8 | 61% | 0.607 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.5 | -32.1 | -178.6 | 3.5 | 0 | 0 | 0 | 0 | 112.8 | A76 N83 H84 | A76-T80 PolarHBondContact O-OG1 3.45Å; T80-N83 PolarHBondContact O-N 3.25Å; T80-H84 PolarHBondContact O-N 3.38Å |
| 81 | Y | 52.9 | Low | 54.5 | Low | 185 Ų | 185 | 122.7 Ų | 122.7 | 73% | 0.725 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.7 | -38.7 | 179.4 | -163.1 | -94.5 | 0 | 0 | 0 | 112.7 | | |
| 82 | Y | 54.1 | Low | 54.9 | Low | 161 Ų | 161 | 119.5 Ų | 119.5 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.4 | -35.3 | 177.7 | -78.1 | -82.2 | 0 | 0 | 0 | 113.1 | K78 H85 Q86 | K78-Y82 WeakPolarHBondContact O-CD2 3.37Å; Y82-H85 PolarHBondContact O-N 3.03Å; Y82-Q86 PolarHBondContact O-N 3.15Å |
| 83 | N | 55.6 | Low | 55.3 | Low | 112 Ų | 112 | 119.1 Ų | 119.1 | 60% | 0.599 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.9 | -40.5 | -179.6 | -95 | -81.8 | 0 | 0 | 0 | 112.9 | A79 T80 H85 Q86 Q87 | A79-N83 PolarHBondContact O-N 2.99Å; A79-N83 PolarHBondContact O-ND2 3.27Å; A79-N83 VanDerWaalsContact O-ND2 3.17Å; T80-N83 PolarHBondContact O-N 3.25Å; N83-H85 VanDerWaalsContact C-N 3.28Å; N83-H85 PolarHBondContact O-N 2.82Å; N83-Q86 PolarHBondContact O-N 3.35Å; N83-Q87 PolarHBondContact O-N 3.16Å; N83-Q87 VanDerWaalsContact O-N 3.08Å |
| 84 | H | 58.3 | Low | 55.7 | Low | 116 Ų | 116 | 117.5 Ų | 117.5 | 54% | 0.537 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.5 | -34.1 | 179.8 | -166.7 | -91.7 | 0 | 0 | 0 | 112.2 | T80 Q88 | T80-H84 PolarHBondContact O-N 3.38Å; H84-Q88 PolarHBondContact CE1-NE2 2.8Å; H84-Q88 PolarHBondContact O-N 2.89Å |
| 85 | H | 60 | Low | 55.9 | Low | 109 Ų | 109 | 116.3 Ų | 116.3 | 51% | 0.505 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.1 | -36.7 | 179.9 | -149 | -17.5 | 0 | 0 | 0 | 112.9 | Y82 N83 Q89 | Y82-H85 PolarHBondContact O-N 3.03Å; N83-H85 VanDerWaalsContact C-N 3.28Å; N83-H85 PolarHBondContact O-N 2.82Å; H85-Q89 PolarHBondContact O-N 3.31Å |
| 86 | Q | 59.1 | Low | 55.8 | Low | 126 Ų | 126 | 119.5 Ų | 119.5 | 59% | 0.589 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.5 | -43.9 | 173.2 | -89.1 | -99.9 | -21 | 0 | 0 | 111.9 | Y82 N83 Q88 Q89 Q90 | Y82-Q86 PolarHBondContact O-N 3.15Å; N83-Q86 PolarHBondContact O-N 3.35Å; Q86-Q88 VanDerWaalsContact C-N 3.34Å; Q86-Q88 PolarHBondContact O-N 3.09Å; Q86-Q89 PolarHBondContact O-N 2.84Å; Q86-Q89 VanDerWaalsContact O-N 3.13Å; Q86-Q90 PolarHBondContact O-N 3.38Å; Q86-Q90 VanDerWaalsContact O-N 3.08Å |
| 87 | Q | 62.7 | Low | 55.8 | Low | 111 Ų | 111 | 125.2 Ų | 125.2 | 52% | 0.519 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.2 | -33.8 | -179.5 | -160.1 | 174.7 | 22.2 | 0 | 0 | 112.5 | N83 R91 | N83-Q87 PolarHBondContact O-N 3.16Å; N83-Q87 VanDerWaalsContact O-N 3.08Å; Q87-R91 PolarHBondContact O-N 3.34Å |
| 88 | Q | 60.7 | Low | 55.9 | Low | 98 Ų | 98 | 124.1 Ų | 124.1 | 46% | 0.458 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.6 | -31 | 172.6 | -75.7 | -165.1 | -9.4 | 0 | 0 | 113.3 | H84 Q86 K92 | H84-Q88 PolarHBondContact CE1-NE2 2.8Å; H84-Q88 PolarHBondContact O-N 2.89Å; Q86-Q88 VanDerWaalsContact C-N 3.34Å; Q86-Q88 PolarHBondContact O-N 3.09Å; Q88-K92 WeakPolarHBondContact O-CG 3.06Å; Q88-K92 PolarHBondContact O-N 3.47Å |
| 89 | Q | 60.2 | Low | 56 | Low | 114 Ų | 114 | 124.7 Ų | 124.7 | 53% | 0.533 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.5 | -39.7 | 175.6 | -70.2 | -168.1 | 3.9 | 0 | 0 | 111.9 | H85 Q86 R91 K92 L93 | H85-Q89 PolarHBondContact O-N 3.31Å; Q86-Q89 PolarHBondContact O-N 2.84Å; Q86-Q89 VanDerWaalsContact O-N 3.13Å; Q89-R91 PolarHBondContact O-N 2.71Å; Q89-K92 PolarHBondContact O-N 2.83Å; Q89-L93 WeakPolarHBondContact O-CG 3.47Å; Q89-L93 PolarHBondContact O-N 2.96Å; Q89-L93 VanDerWaalsContact O-N 3.15Å |
| 90 | Q | 59.8 | Low | 55.6 | Low | 126 Ų | 126 | 127.3 Ų | 127.3 | 59% | 0.589 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.5 | -38.9 | 175.3 | -78.5 | 179.9 | -13.4 | 0 | 0 | 112.9 | Q86 K92 L93 S94 | Q86-Q90 PolarHBondContact O-N 3.38Å; Q86-Q90 VanDerWaalsContact O-N 3.08Å; Q90-K92 VanDerWaalsContact C-N 3.33Å; Q90-K92 PolarHBondContact O-N 3.2Å; Q90-L93 PolarHBondContact O-N 2.94Å; Q90-S94 PolarHBondContact O-N 3.44Å; Q90-S94 PolarHBondContact O-OG 3.41Å |
| 91 | R | 59.8 | Low | 55.1 | Low | 179 Ų | 179 | 128.2 Ų | 128.2 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65 | -33.4 | 175.3 | -75 | -170.8 | -178.7 | -170.2 | 2.1 | 113.5 | Q87 Q89 S94 A95 | Q87-R91 PolarHBondContact O-N 3.34Å; Q89-R91 PolarHBondContact O-N 2.71Å; R91-S94 WeakPolarHBondContact CA-OG 3.14Å; R91-S94 PolarHBondContact O-OG 3.08Å; R91-A95 PolarHBondContact O-N 3.03Å |
| 92 | K | 59.2 | Low | 54.9 | Low | 156 Ų | 156 | 124.9 Ų | 124.9 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.9 | -36.1 | 176.3 | -75.1 | 178.7 | 177.9 | -176.9 | 0 | 111.9 | Q88 Q89 Q90 Y96 | Q88-K92 WeakPolarHBondContact O-CG 3.06Å; Q88-K92 PolarHBondContact O-N 3.47Å; Q89-K92 PolarHBondContact O-N 2.83Å; Q90-K92 VanDerWaalsContact C-N 3.33Å; Q90-K92 PolarHBondContact O-N 3.2Å; K92-Y96 PolarHBondContact O-N 2.82Å |
| 93 | L | 55.8 | Low | 54.4 | Low | 115 Ų | 115 | 125.4 Ų | 125.4 | 60% | 0.602 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.9 | -35.2 | 177.3 | -66.1 | 162.9 | 0 | 0 | 0 | 112.3 | Q89 Q90 K97 | Q89-L93 WeakPolarHBondContact O-CG 3.47Å; Q89-L93 PolarHBondContact O-N 2.96Å; Q89-L93 VanDerWaalsContact O-N 3.15Å; Q90-L93 PolarHBondContact O-N 2.94Å; L93-K97 PolarHBondContact O-N 3.41Å |
| 94 | S | 54.3 | Low | 53.9 | Low | 69 Ų | 69 | 128.2 Ų | 128.2 | 48% | 0.483 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.1 | -30.6 | 177.3 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | Q90 R91 M98 | Q90-S94 PolarHBondContact O-N 3.44Å; Q90-S94 PolarHBondContact O-OG 3.41Å; R91-S94 WeakPolarHBondContact CA-OG 3.14Å; R91-S94 PolarHBondContact O-OG 3.08Å; S94-M98 WeakPolarHBondContact O-CG 3.42Å; S94-M98 PolarHBondContact O-N 2.96Å |
| 95 | A | 56.2 | Low | 53.1 | Low | 66 Ų | 66 | 132 Ų | 132 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.4 | -37 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R91 | R91-A95 PolarHBondContact O-N 3.03Å |
| 96 | Y | 51 | Low | 52 | Low | 158 Ų | 158 | 135.1 Ų | 135.1 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.6 | -40.6 | 174.7 | 161.2 | -95.8 | 0 | 0 | 0 | 112.2 | K92 M98 Q99 | K92-Y96 PolarHBondContact O-N 2.82Å; Y96-M98 VanDerWaalsContact C-N 3.29Å; Y96-M98 PolarHBondContact O-N 2.76Å; Y96-Q99 PolarHBondContact O-N 3.49Å |
| 97 | K | 48 | Very low | 51 | Low | 157 Ų | 157 | 134.1 Ų | 134.1 | 68% | 0.683 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.2 | -21.5 | -177.2 | -164.9 | 164.6 | -177.3 | 165 | 0 | 114 | L93 | L93-K97 PolarHBondContact O-N 3.41Å |
| 98 | M | 50.5 | Low | 50.1 | Low | 153 Ų | 153 | 133.9 Ų | 133.9 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -87.2 | -13.5 | 175.8 | -67.2 | -69.5 | -71.5 | 0 | 0 | 113.2 | S94 Y96 | S94-M98 WeakPolarHBondContact O-CG 3.42Å; S94-M98 PolarHBondContact O-N 2.96Å; Y96-M98 VanDerWaalsContact C-N 3.29Å; Y96-M98 PolarHBondContact O-N 2.76Å |
| 99 | Q | 51.9 | Low | 49.1 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -81.5 | -24.7 | 178.5 | -168.7 | 75 | 31.6 | 0 | 0 | 112.2 | Y96 T102 | Y96-Q99 PolarHBondContact O-N 3.49Å; Q99-T102 PolarHBondContact O-OG1 3.48Å; Q99-T102 VanDerWaalsContact O-OG1 3.04Å |
| 100 | E | 44.3 | Very low | 47.7 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 55% | 0.551 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -77.6 | -17.9 | -176 | -160.5 | 173.1 | 168.6 | 0 | 0 | 113.2 | T102 | E100-T102 VanDerWaalsContact C-N 3.29Å; E100-T102 PolarHBondContact O-N 2.95Å |
| 101 | C | 42.8 | Very low | 46.7 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -81.8 | 1.5 | 177.3 | -75.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 102 | T | 48 | Very low | 45.6 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -103.7 | -3.4 | 179.3 | 16.2 | 0 | 0 | 0 | 0 | 114.6 | Q99 E100 | Q99-T102 PolarHBondContact O-OG1 3.48Å; Q99-T102 VanDerWaalsContact O-OG1 3.04Å; E100-T102 VanDerWaalsContact C-N 3.29Å; E100-T102 PolarHBondContact O-N 2.95Å |
| 103 | E | 44 | Very low | 44.8 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -113.6 | 40.7 | -178.1 | -158.6 | -175.5 | 111.6 | 0 | 0 | 112.5 | | |
| 104 | Q | 45.3 | Very low | 44 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -139 | 19.6 | 177.4 | -133.3 | 113.6 | 71.9 | 0 | 0 | 115.9 | | |
| 105 | Q | 42.6 | Very low | 43.3 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | | | trans | -132.3 | 87.1 | 165.6 | -84.3 | -178.9 | -3.7 | 0 | 0 | 110.8 | | |
| 106 | E | 35.4 | Very low | 43 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -109 | 125.2 | 158.6 | -124.9 | -110.8 | 127.2 | 0 | 0 | 107.2 | | |
| 107 | P | 38.2 | Very low | 42.6 | Very low | 104 Ų | 104 | 147 Ų | 147 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | | | trans | -97 | 144.8 | 151.4 | 32.1 | -24.6 | 0 | 0 | 0 | 109.8 | | |
| 108 | P | 44.3 | Very low | 41.9 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | | | trans | -86.1 | 149.5 | -168.7 | 34.9 | -33.6 | 0 | 0 | 0 | 112.1 | | |
| 109 | Q | 39.2 | Very low | 41.3 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | | | trans | 125.5 | 131.2 | 143.9 | -71.9 | -169.9 | -12 | 0 | 0 | 115.7 | | |
| 110 | G | 31.2 | Very low | 40.5 | Very low | 79 Ų | 79 | 149.2 Ų | 149.2 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | | | trans | 114.5 | 89.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 111 | G | 38.4 | Very low | 39.7 | Very low | 71 Ų | 71 | 146.8 Ų | 146.8 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | trans | -67.6 | 160.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 112 | M | 37.3 | Very low | 39.4 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 95% | 0.946 | 80% | 0.801 | S | S | * | * | | | | -166.9 | 149.3 | 128.4 | -131 | 69.4 | 176.4 | 0 | 0 | 110.3 | | |
| 113 | R | 41.3 | Very low | 38.8 | Very low | 235 Ų | 235 | 150 Ų | 150 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | -46.9 | 151.6 | 179.5 | -76 | 167 | 155.2 | -94.4 | -0.1 | 115.4 | | |
| 114 | G | 39.1 | Very low | 38.1 | Very low | 73 Ų | 73 | 150.1 Ų | 150.1 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -67.8 | 173.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 115 | M | 41.3 | Very low | 37.4 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | | | trans | -161.5 | 131.3 | 158.7 | -136.1 | 152.8 | 159.4 | 0 | 0 | 110.9 | | |
| 116 | L | 48.1 | Very low | 37.7 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | | | trans | -61.7 | 146.8 | 158.6 | -68.8 | 143.8 | 0 | 0 | 0 | 110.2 | | |
| 117 | Q | 43.3 | Very low | 37.6 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -165.4 | 103.4 | 155.6 | -106 | 163.9 | 67.1 | 0 | 0 | 107.1 | | |
| 118 | N | 33.1 | Very low | 37.3 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | | | | 75.4 | 90.7 | 65.7 | -166.1 | 62 | 0 | 0 | 0 | 115 | | |
| 119 | N | 38.4 | Very low | 37 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | | 61.3 | 146.8 | 112.6 | -143.8 | 6.6 | 0 | 0 | 0 | 122.3 | | |
| 120 | R | 34 | Very low | 36.6 | Very low | 233 Ų | 233 | 136.4 Ų | 136.4 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | | | trans | 92.5 | 134.7 | 166.8 | -58.2 | -179.5 | -179.7 | -153 | -0.3 | 116.3 | | |
| 121 | G | 29.1 | Very low | 37 | Very low | 68 Ų | 68 | 138.6 Ų | 138.6 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | cis | 169.9 | 148.8 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 122 | V | 36.2 | Very low | 36.7 | Very low | 137 Ų | 137 | 143 Ų | 143 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | | | trans | 52.6 | 113.8 | 143 | -165.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 123 | Q | 34.1 | Very low | 36.5 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | | | | 177.6 | 111.2 | 122.2 | -102.3 | 176.6 | 28.6 | 0 | 0 | 110.5 | | |
| 124 | Q | 30.5 | Very low | 36 | Very low | 175 Ų | 175 | 132.9 Ų | 132.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | | 82.2 | 116.8 | 103.5 | -77 | 178.5 | 6.3 | 0 | 0 | 115.9 | | |
| 125 | S | 30.4 | Very low | 36.1 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -84.2 | 165.7 | 160.3 | -143.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 126 | P | 48.3 | Very low | 35.8 | Very low | 119 Ų | 119 | 138 Ų | 138 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | cis | -150.9 | 163.6 | 43.7 | 37.8 | -13.8 | 0 | 0 | 0 | 120 | | |
| 127 | A | 33 | Very low | 35.1 | Very low | 99 Ų | 99 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 41.7 | 122.9 | 143.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 128 | A | 33.8 | Very low | 34.6 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | | | | -163.5 | 138.1 | 129.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 129 | A | 36.2 | Very low | 35 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -78.5 | 157.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 130 | T | 31.8 | Very low | 35.2 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | 174.4 | 115.6 | 137.2 | -73.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 131 | V | 39.7 | Very low | 35.3 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | 41.5 | 138.1 | 132.2 | -175.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 132 | E | 32.7 | Very low | 36 | Very low | 163 Ų | 163 | 132.5 Ų | 132.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | cis | -177.8 | 149.4 | -6.4 | 173.7 | 161.2 | 164.6 | 0 | 0 | 106.7 | | |
| 133 | S | 33 | Very low | 36.6 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | trans | 46.6 | 120.5 | 153 | 76.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 134 | S | 31 | Very low | 36.8 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | | 116.1 | 124 | 118.4 | -143.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 135 | P | 41.2 | Very low | 37.4 | Very low | 119 Ų | 119 | 133 Ų | 133 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -91.2 | 139.4 | -176.4 | 35.3 | -31.5 | 0 | 0 | 0 | 114 | | |
| 136 | R | 34.7 | Very low | 38 | Very low | 236 Ų | 236 | 131.9 Ų | 131.9 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | | | trans | -16.5 | 149.3 | 135.5 | -68.7 | -179.6 | -164 | 158.4 | 4 | 113.5 | | |
| 137 | S | 32.7 | Very low | 38 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | cis | 173.5 | 157.9 | 21.2 | 34.8 | 0 | 0 | 0 | 0 | 108 | | |
| 138 | S | 32 | Very low | 38.5 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | 57 | 109.1 | 146.2 | -95.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 139 | A | 41.6 | Very low | 39.2 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -59.3 | 162 | 145 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 140 | E | 42.5 | Very low | 40.6 | Very low | 193 Ų | 193 | 134.7 Ų | 134.7 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | trans | 103 | 98.7 | 171.1 | -156.2 | 178.3 | 105 | 0 | 0 | 115.5 | | |
| 141 | S | 36.7 | Very low | 41.9 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | -154.1 | 122.6 | 138.8 | -175.8 | 0 | 0 | 0 | 0 | 109 | | |
| 142 | E | 43.6 | Very low | 43.3 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | -66.6 | 162.5 | 175.4 | -65.2 | -150 | 99.3 | 0 | 0 | 114.3 | | |
| 143 | L | 50.3 | Low | 45.5 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | | | trans | 53.9 | 104.5 | 145.9 | -88.2 | 151.8 | 0 | 0 | 0 | 118.5 | | |
| 144 | K | 36.7 | Very low | 47.3 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -136.1 | 114.4 | 146.5 | -166.6 | 157.7 | 179.4 | 175 | 0 | 111 | S146 | K144-S146 PolarHBondContact O-N 3.15Š|
| 145 | D | 43.9 | Very low | 49.8 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -31.8 | 117.5 | 156.4 | 173.8 | 28.9 | 0 | 0 | 0 | 111.4 | T147 | D145-T147 PolarHBondContact OD1-OG1 3.28Š|
| 146 | S | 42.4 | Very low | 51.8 | Low | 88 Ų | 88 | 139.6 Ų | 139.6 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | | | trans | -137.7 | 71.6 | 175.2 | 166.5 | 0 | 0 | 0 | 0 | 107.3 | K144 Q148 | K144-S146 PolarHBondContact O-N 3.15Å; S146-Q148 PolarHBondContact O-N 3.27Å |
| 147 | T | 48.4 | Very low | 54.1 | Low | 128 Ų | 128 | 134.4 Ų | 134.4 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -68.2 | 57.9 | 154.5 | -52.4 | 0 | 0 | 0 | 0 | 109.1 | D145 | D145-T147 PolarHBondContact OD1-OG1 3.28Š|
| 148 | Q | 43.5 | Very low | 56.7 | Low | 147 Ų | 147 | 140.5 Ų | 140.5 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | | | trans | -100 | 122.6 | 164.3 | -79.1 | -73.2 | -20.8 | 0 | 0 | 105.6 | S146 A150 | S146-Q148 PolarHBondContact O-N 3.27Å; Q148-A150 PolarHBondContact O-N 3.15Å |
| 149 | P | 48.6 | Very low | 59.2 | Low | 105 Ų | 105 | 137.8 Ų | 137.8 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | trans | -55 | 119.2 | 168.3 | 23.2 | -29.2 | 0 | 0 | 0 | 106.3 | E151 | P149-E151 PolarHBondContact O-N 2.97Š|
| 150 | A | 65.4 | Low | 61.3 | Low | 99 Ų | 99 | 138.6 Ų | 138.6 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -49.5 | 114.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 108 | Q148 A152 | Q148-A150 PolarHBondContact O-N 3.15Å; A150-A152 PolarHBondContact O-N 3.28Å; A150-A152 VanDerWaalsContact O-N 3.1Å |
| 151 | E | 58.6 | Low | 63.5 | Low | 178 Ų | 178 | 135.4 Ų | 135.4 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | trans | -58 | 122.3 | 178.1 | -81.7 | -163.4 | 138.5 | 0 | 0 | 107.4 | P149 E153 | P149-E151 PolarHBondContact O-N 2.97Å; E151-E153 PolarHBondContact O-N 2.83Å |
| 152 | A | 69.9 | Low | 65.9 | Low | 98 Ų | 98 | 136.1 Ų | 136.1 | 81% | 0.81 | 73% | 0.725 | S | S | * | * | | | trans | -70.5 | 98.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | A150 Y154 | A150-A152 PolarHBondContact O-N 3.28Å; A150-A152 VanDerWaalsContact O-N 3.1Å; A152-Y154 PolarHBondContact O-N 3.4Å |
| 153 | E | 78.8 | Confident | 67.9 | Low | 168 Ų | 168 | 134.5 Ų | 134.5 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | trans | -66.4 | 124.5 | 175.4 | -69.9 | -176.5 | 179.8 | 0 | 0 | 110.1 | E151 L155 | E151-E153 PolarHBondContact O-N 2.83Å; E153-L155 PolarHBondContact O-N 3.4Å |
| 154 | Y | 71.8 | Confident | 69.6 | Low | 236 Ų | 236 | 135.7 Ų | 135.7 | 93% | 0.925 | 72% | 0.722 | S | S | * | * | | | trans | -79 | 107.9 | 176.8 | -135.9 | -94.2 | 0 | 0 | 0 | 109.2 | A152 | A152-Y154 PolarHBondContact O-N 3.4Š|
| 155 | L | 82.4 | Confident | 72.1 | Confident | 85 Ų | 85 | 131.9 Ų | 131.9 | 45% | 0.445 | 71% | 0.705 | S | S | . | * | | | trans | -75.5 | 153.3 | 174.9 | -60.3 | 176.5 | 0 | 0 | 0 | 110.7 | E153 C159 L161 | E153-L155 PolarHBondContact O-N 3.4Å; L155-C159 HydrophobicContact CB-CB 3.96Å; L155-C159 WeakPolarHBondContact CB-SG 3.17Å; L155-C159 HydrophobicContact CD1-CB 4.25Å; L155-L161 HydrophobicContact CD1-CD1 4.35Å |
| 156 | S | 83 | Confident | 74.3 | Confident | 88 Ų | 88 | 134.3 Ų | 134.3 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | | | trans | -56.3 | 150 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | R158 C159 | S156-R158 PolarHBondContact O-N 2.91Å; S156-C159 PolarHBondContact O-N 3.39Å; S156-C159 PolarHBondContact O-SG 2.95Å |
| 157 | S | 83.3 | Confident | 76.5 | Confident | 126 Ų | 126 | 132.5 Ų | 132.5 | 88% | 0.881 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -1.2 | -178 | 56.3 | 0 | 0 | 0 | 0 | 116 | | |
| 158 | R | 88.1 | Confident | 78.7 | Confident | 231 Ų | 231 | 131.1 Ų | 131.1 | 87% | 0.872 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 15.9 | 179.9 | -58.4 | -179.3 | 66.5 | 114 | 1.1 | 113.6 | S156 | S156-R158 PolarHBondContact O-N 2.91Š|
| 159 | C | 84.3 | Confident | 80.9 | Confident | 62 Ų | 62 | 129.6 Ų | 129.6 | 42% | 0.419 | 69% | 0.69 | S | S | . | * | | | trans | -89.7 | 150.8 | 175.4 | 65.8 | 0 | 0 | 0 | 0 | 112 | L155 S156 | L155-C159 HydrophobicContact CB-CB 3.96Å; L155-C159 WeakPolarHBondContact CB-SG 3.17Å; L155-C159 HydrophobicContact CD1-CB 4.25Å; S156-C159 PolarHBondContact O-N 3.39Å; S156-C159 PolarHBondContact O-SG 2.95Å |
| 160 | V | 86.1 | Confident | 83.1 | Confident | 111 Ų | 111 | 126 Ų | 126 | 67% | 0.673 | 67% | 0.673 | S | S | * | * | | | trans | -113.4 | 122 | 163.5 | -179.1 | 0 | 0 | 0 | 0 | 106.6 | F162 | V160-F162 HydrophobicContact CB-CE2 4.18Å; V160-F162 HydrophobicContact CG1-CD2 4.19Å; V160-F162 HydrophobicContact CG1-CE1 4.28Å; V160-F162 HydrophobicContact CG1-CE2 3.61Å; V160-F162 HydrophobicContact CG1-CZ 3.67Å |
| 161 | L | 88.3 | Confident | 84.4 | Confident | 126 Ų | 126 | 126.4 Ų | 126.4 | 66% | 0.66 | 66% | 0.661 | S | S | * | * | | | trans | -94.2 | 123.2 | 175.7 | -177.7 | 62 | 0 | 0 | 0 | 109.2 | L155 | L155-L161 HydrophobicContact CD1-CD1 4.35Š|
| 162 | F | 85.8 | Confident | 86.1 | Confident | 137 Ų | 137 | 121.6 Ų | 121.6 | 60% | 0.601 | 64% | 0.644 | S | S | * | * | | | trans | -103.4 | 107.8 | 170.8 | -66.5 | -82.7 | 0 | 0 | 0 | 109 | V160 Y164 | V160-F162 HydrophobicContact CB-CE2 4.18Å; V160-F162 HydrophobicContact CG1-CD2 4.19Å; V160-F162 HydrophobicContact CG1-CE1 4.28Å; V160-F162 HydrophobicContact CG1-CE2 3.61Å; V160-F162 HydrophobicContact CG1-CZ 3.67Å; F162-Y164 HydrophobicContact CB-CD2 4.31Å; F162-Y164 HydrophobicContact CB-CE2 3.5Å; F162-Y164 HydrophobicContact CG-CE2 4.46Å |
| 163 | T | 86.8 | Confident | 87.2 | Confident | 125 Ų | 125 | 119.8 Ų | 119.8 | 77% | 0.767 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 116.9 | 170.9 | -49.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 164 | Y | 86.1 | Confident | 87.9 | Confident | 182 Ų | 182 | 116.6 Ų | 116.6 | 71% | 0.714 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 124.9 | 175.8 | -62.2 | -81.2 | 0 | 0 | 0 | 109 | F162 | F162-Y164 HydrophobicContact CB-CD2 4.31Å; F162-Y164 HydrophobicContact CB-CE2 3.5Å; F162-Y164 HydrophobicContact CG-CE2 4.46Å |
| 165 | F | 89.5 | Confident | 89.1 | Confident | 117 Ų | 117 | 110 Ų | 110 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -80.8 | 132.9 | 169.5 | 173.5 | -104.3 | 0 | 0 | 0 | 109.1 | G167 I169 V172 | F165-G167 WeakPolarHBondContact CE1-O 3.21Å; F165-I169 HydrophobicContact CD1-CG1 4.16Å; F165-I169 HydrophobicContact CE1-CG1 3.69Å; F165-V172 HydrophobicContact CE2-CG2 4.1Å; F165-V172 HydrophobicContact CZ-CB 4.39Å; F165-V172 HydrophobicContact CZ-CG2 3.74Å |
| 166 | Q | 88.3 | Confident | 89.6 | Confident | 184 Ų | 184 | 112.1 Ų | 112.1 | 86% | 0.86 | 60% | 0.596 | S | S | * | * | | | trans | -119.9 | 107.8 | 176.2 | -168.9 | 67.6 | 48.7 | 0 | 0 | 108.6 | | |
| 167 | G | 90.5 | Very high | 90.1 | Very high | 49 Ų | 49 | 113.6 Ų | 113.6 | 51% | 0.505 | 59% | 0.591 | S | S | . | * | S | Bend | trans | 156.8 | 173.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F165 | F165-G167 WeakPolarHBondContact CE1-O 3.21Š|
| 168 | D | 92.9 | Very high | 90.6 | Very high | 100 Ų | 100 | 111.2 Ų | 111.2 | 54% | 0.535 | 58% | 0.575 | S | S | . | * | | | trans | -82.3 | 129.7 | 163.1 | -166.4 | -14.1 | 0 | 0 | 0 | 108.7 | G170 D171 V172 | D168-G170 PolarHBondContact O-N 3.31Å; D168-G170 PolarHBondContact OD1-N 2.89Å; D168-D171 HydrophobicContact CB-CB 4.27Å; D168-V172 PolarHBondContact O-N 3.39Å |
| 169 | I | 91.4 | Very high | 90.8 | Very high | 114 Ų | 114 | 107.5 Ų | 107.5 | 59% | 0.585 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.4 | -35.7 | 176.9 | -58 | 169.3 | 0 | 0 | 0 | 109.2 | F165 V172 V173 | F165-I169 HydrophobicContact CD1-CG1 4.16Å; F165-I169 HydrophobicContact CE1-CG1 3.69Å; I169-V172 PolarHBondContact O-N 2.91Å; I169-V173 HydrophobicContact CG2-CG2 4.04Å; I169-V173 VanDerWaalsContact O-CB 3.29Å; I169-V173 WeakPolarHBondContact O-CB 3.27Å; I169-V173 WeakPolarHBondContact O-CG2 3.45Å; I169-V173 PolarHBondContact O-N 2.86Å |
| 170 | G | 93.6 | Very high | 91.1 | Very high | 31 Ų | 31 | 107.4 Ų | 107.4 | 32% | 0.32 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -57.9 | -50.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | D168 V172 V173 D174 | D168-G170 PolarHBondContact O-N 3.31Å; D168-G170 PolarHBondContact OD1-N 2.89Å; G170-V172 PolarHBondContact O-N 3.28Å; G170-V173 PolarHBondContact O-N 3.47Å; G170-D174 WeakPolarHBondContact O-CB 2.97Å; G170-D174 PolarHBondContact O-N 2.96Å |
| 171 | D | 93.3 | Very high | 91.2 | Very high | 107 Ų | 107 | 108.9 Ų | 108.9 | 57% | 0.572 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.5 | -42.6 | 179.9 | -67.6 | -20.8 | 0 | 0 | 0 | 112.6 | D168 V173 D174 E175 | D168-D171 HydrophobicContact CB-CB 4.27Å; D171-V173 VanDerWaalsContact C-N 3.32Å; D171-V173 PolarHBondContact O-N 3.07Å; D171-D174 PolarHBondContact O-N 2.78Å; D171-E175 VanDerWaalsContact O-CB 3.24Å; D171-E175 WeakPolarHBondContact O-CB 3.3Å; D171-E175 PolarHBondContact O-N 2.83Å |
| 172 | V | 93.7 | Very high | 90.9 | Very high | 76 Ų | 76 | 107 Ų | 107 | 46% | 0.461 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.8 | -39.1 | 179 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | F165 D168 I169 G170 H176 | F165-V172 HydrophobicContact CE2-CG2 4.1Å; F165-V172 HydrophobicContact CZ-CB 4.39Å; F165-V172 HydrophobicContact CZ-CG2 3.74Å; D168-V172 PolarHBondContact O-N 3.39Å; I169-V172 PolarHBondContact O-N 2.91Å; G170-V172 PolarHBondContact O-N 3.28Å; V172-H176 VanDerWaalsContact O-CB 3.27Å; V172-H176 WeakPolarHBondContact O-CB 3.29Å; V172-H176 PolarHBondContact O-N 2.93Å |
| 173 | V | 93.9 | Very high | 90.4 | Very high | 60 Ų | 60 | 107.3 Ų | 107.3 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.6 | -52.2 | 174.7 | 169.7 | 0 | 0 | 0 | 0 | 109.6 | I169 G170 D171 E175 H176 F177 | I169-V173 HydrophobicContact CG2-CG2 4.04Å; I169-V173 VanDerWaalsContact O-CB 3.29Å; I169-V173 WeakPolarHBondContact O-CB 3.27Å; I169-V173 WeakPolarHBondContact O-CG2 3.45Å; I169-V173 PolarHBondContact O-N 2.86Å; G170-V173 PolarHBondContact O-N 3.47Å; D171-V173 VanDerWaalsContact C-N 3.32Å; D171-V173 PolarHBondContact O-N 3.07Å; V173-E175 VanDerWaalsContact C-N 3.3Å; V173-E175 PolarHBondContact O-N 2.87Å; V173-H176 CarbonylContact O-C 3.6Å; V173-H176 WeakPolarHBondContact O-CA 3.49Å; V173-H176 WeakPolarHBondContact O-CB 3.35Å; V173-H176 PolarHBondContact O-N 3.15Å; V173-F177 HydrophobicContact CG1-CD2 3.53Å; V173-F177 HydrophobicContact CG1-CE2 3.58Å; V173-F177 VanDerWaalsContact O-CD2 3.27Å; V173-F177 WeakPolarHBondContact O-CD2 3.48Å; V173-F177 PolarHBondContact O-N 3.48Å |
| 174 | D | 93.9 | Very high | 89.6 | Confident | 102 Ų | 102 | 106.8 Ų | 106.8 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.5 | -38.7 | -178.8 | -77 | -6.9 | 0 | 0 | 0 | 112.1 | G170 D171 S178 | G170-D174 WeakPolarHBondContact O-CB 2.97Å; G170-D174 PolarHBondContact O-N 2.96Å; D171-D174 PolarHBondContact O-N 2.78Å; D174-S178 WeakPolarHBondContact O-CB 3.2Å; D174-S178 PolarHBondContact O-N 2.85Å; D174-S178 PolarHBondContact O-OG 3.38Å |
| 175 | E | 95.3 | Very high | 88.3 | Confident | 97 Ų | 97 | 102.7 Ų | 102.7 | 45% | 0.453 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.4 | -43.7 | 172.2 | -175.5 | -179.4 | 131.9 | 0 | 0 | 111.5 | D171 V173 S178 R179 | D171-E175 VanDerWaalsContact O-CB 3.24Å; D171-E175 WeakPolarHBondContact O-CB 3.3Å; D171-E175 PolarHBondContact O-N 2.83Å; V173-E175 VanDerWaalsContact C-N 3.3Å; V173-E175 PolarHBondContact O-N 2.87Å; E175-S178 PolarHBondContact O-N 3.38Å; E175-R179 WeakPolarHBondContact O-CB 3.31Å; E175-R179 WeakPolarHBondContact O-CG 3.38Å; E175-R179 PolarHBondContact O-N 3.4Å; E175-R179 IonicContact OE1-CZ 2.87Å; E175-R179 IonicContact OE1-NE 3.87Å; E175-R179 IonicContact OE1-NH1 2.7Å; E175-R179 PolarHBondContact OE1-NH1 2.81Å; E175-R179 IonicContact OE1-NH2 2.65Å; E175-R179 PolarHBondContact OE1-NH2 2.84Å |
| 176 | H | 94.1 | Very high | 86.7 | Confident | 129 Ų | 129 | 102.8 Ų | 102.8 | 60% | 0.597 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.4 | -47.1 | 177.1 | -178.7 | 83.7 | 0 | 0 | 0 | 111.8 | V172 V173 R179 A180 | V172-H176 VanDerWaalsContact O-CB 3.27Å; V172-H176 WeakPolarHBondContact O-CB 3.29Å; V172-H176 PolarHBondContact O-N 2.93Å; V173-H176 CarbonylContact O-C 3.6Å; V173-H176 WeakPolarHBondContact O-CA 3.49Å; V173-H176 WeakPolarHBondContact O-CB 3.35Å; V173-H176 PolarHBondContact O-N 3.15Å; H176-R179 PolarHBondContact O-N 3.09Å; H176-A180 WeakPolarHBondContact O-CB 3.29Å; H176-A180 PolarHBondContact O-N 2.97Å |
| 177 | F | 93.4 | Very high | 84.8 | Confident | 119 Ų | 119 | 102.3 Ų | 102.3 | 52% | 0.522 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.2 | -44.2 | 177.4 | -85.9 | -88.5 | 0 | 0 | 0 | 111.7 | V173 R179 A180 L181 | V173-F177 HydrophobicContact CG1-CD2 3.53Å; V173-F177 HydrophobicContact CG1-CE2 3.58Å; V173-F177 VanDerWaalsContact O-CD2 3.27Å; V173-F177 WeakPolarHBondContact O-CD2 3.48Å; V173-F177 PolarHBondContact O-N 3.48Å; F177-R179 VanDerWaalsContact C-N 3.3Å; F177-R179 PolarHBondContact O-N 2.88Å; F177-A180 PolarHBondContact O-N 2.99Å; F177-L181 WeakPolarHBondContact O-CB 3.24Å; F177-L181 VanDerWaalsContact O-CG 3.32Å; F177-L181 WeakPolarHBondContact O-CG 3.35Å; F177-L181 PolarHBondContact O-N 2.84Å |
| 178 | S | 92.8 | Very high | 82.5 | Confident | 76 Ų | 76 | 104.2 Ų | 104.2 | 53% | 0.531 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.6 | -44 | 176 | -64 | 0 | 0 | 0 | 0 | 111 | D174 E175 L181 S182 | D174-S178 WeakPolarHBondContact O-CB 3.2Å; D174-S178 PolarHBondContact O-N 2.85Å; D174-S178 PolarHBondContact O-OG 3.38Å; E175-S178 PolarHBondContact O-N 3.38Å; S178-L181 PolarHBondContact O-N 2.96Å; S178-S182 WeakPolarHBondContact O-CB 3.29Å; S178-S182 PolarHBondContact O-N 2.99Å; S178-S182 PolarHBondContact O-OG 3.36Å |
| 179 | R | 92.6 | Very high | 80.5 | Confident | 153 Ų | 153 | 105.1 Ų | 105.1 | 58% | 0.577 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.7 | -46 | 175 | -78.4 | 179.7 | 175.1 | 146.5 | 10.1 | 112.4 | E175 H176 F177 L181 S182 Q183 | E175-R179 WeakPolarHBondContact O-CB 3.31Å; E175-R179 WeakPolarHBondContact O-CG 3.38Å; E175-R179 PolarHBondContact O-N 3.4Å; E175-R179 IonicContact OE1-CZ 2.87Å; E175-R179 IonicContact OE1-NE 3.87Å; E175-R179 IonicContact OE1-NH1 2.7Å; E175-R179 PolarHBondContact OE1-NH1 2.81Å; E175-R179 IonicContact OE1-NH2 2.65Å; E175-R179 PolarHBondContact OE1-NH2 2.84Å; H176-R179 PolarHBondContact O-N 3.09Å; F177-R179 VanDerWaalsContact C-N 3.3Å; F177-R179 PolarHBondContact O-N 2.88Å; R179-L181 VanDerWaalsContact C-N 3.29Å; R179-L181 PolarHBondContact O-N 3.36Å; R179-S182 WeakPolarHBondContact CA-OG 3.31Å; R179-S182 PolarHBondContact O-N 3.13Å; R179-S182 PolarHBondContact O-OG 3.32Å; R179-Q183 VanDerWaalsContact O-CG 3.27Å; R179-Q183 WeakPolarHBondContact O-CG 3.39Å; R179-Q183 PolarHBondContact O-N 3.37Å |
| 180 | A | 90.9 | Very high | 78.1 | Confident | 60 Ų | 60 | 106 Ų | 106 | 50% | 0.496 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.6 | -37.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H176 F177 | H176-A180 WeakPolarHBondContact O-CB 3.29Å; H176-A180 PolarHBondContact O-N 2.97Å; F177-A180 PolarHBondContact O-N 2.99Å |
| 181 | L | 88 | Confident | 75.6 | Confident | 143 Ų | 143 | 108.9 Ų | 108.9 | 75% | 0.749 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -86.4 | -26.6 | -179.1 | -62.9 | 176.3 | 0 | 0 | 0 | 113.5 | F177 S178 R179 Q183 | F177-L181 WeakPolarHBondContact O-CB 3.24Å; F177-L181 VanDerWaalsContact O-CG 3.32Å; F177-L181 WeakPolarHBondContact O-CG 3.35Å; F177-L181 PolarHBondContact O-N 2.84Å; S178-L181 PolarHBondContact O-N 2.96Å; R179-L181 VanDerWaalsContact C-N 3.29Å; R179-L181 PolarHBondContact O-N 3.36Å; L181-Q183 PolarHBondContact O-N 3Å |
| 182 | S | 81.4 | Confident | 72.9 | Confident | 85 Ų | 85 | 110.8 Ų | 110.8 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.9 | -8.4 | 175.1 | 70.1 | 0 | 0 | 0 | 0 | 113.5 | S178 R179 P184 | S178-S182 WeakPolarHBondContact O-CB 3.29Å; S178-S182 PolarHBondContact O-N 2.99Å; S178-S182 PolarHBondContact O-OG 3.36Å; R179-S182 WeakPolarHBondContact CA-OG 3.31Å; R179-S182 PolarHBondContact O-N 3.13Å; R179-S182 PolarHBondContact O-OG 3.32Å; S182-P184 WeakPolarHBondContact O-CD 3.49Å; S182-P184 VanDerWaalsContact O-N 3.12Å |
| 183 | Q | 76.5 | Confident | 70.4 | Confident | 144 Ų | 144 | 112.7 Ų | 112.7 | 67% | 0.673 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -64.9 | 109.9 | 172.7 | -70.2 | -100.1 | -17.4 | 0 | 0 | 107.5 | R179 L181 S185 | R179-Q183 VanDerWaalsContact O-CG 3.27Å; R179-Q183 WeakPolarHBondContact O-CG 3.39Å; R179-Q183 PolarHBondContact O-N 3.37Å; L181-Q183 PolarHBondContact O-N 3Å; Q183-S185 PolarHBondContact O-N 3.43Å |
| 184 | P | 68.8 | Low | 68.1 | Low | 114 Ų | 114 | 117 Ų | 117 | 74% | 0.74 | 64% | 0.644 | S | S | * | * | | | trans | -58.4 | 117.4 | 170.6 | 25.7 | -31.4 | 0 | 0 | 0 | 105.8 | S182 S186 | S182-P184 WeakPolarHBondContact O-CD 3.49Å; S182-P184 VanDerWaalsContact O-N 3.12Å; P184-S186 PolarHBondContact O-N 2.99Å |
| 185 | S | 60.1 | Low | 65.3 | Low | 97 Ų | 97 | 122.7 Ų | 122.7 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | | | trans | -51.1 | 102.5 | 177.7 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | Q183 F187 | Q183-S185 PolarHBondContact O-N 3.43Å; S185-F187 PolarHBondContact O-N 2.85Å; S185-F187 VanDerWaalsContact O-N 3.08Å; S185-F187 WeakPolarHBondContact OG-CB 3.47Å; S185-F187 PolarHBondContact OG-N 2.84Å |
| 186 | S | 55.3 | Low | 62.6 | Low | 119 Ų | 119 | 123.6 Ų | 123.6 | 83% | 0.832 | 67% | 0.669 | S | S | * | * | | | trans | -76.8 | 23.1 | 169.4 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | P184 S188 | P184-S186 PolarHBondContact O-N 2.99Å; S186-S188 PolarHBondContact O-N 2.83Å |
| 187 | F | 49.3 | Very low | 59.8 | Low | 174 Ų | 174 | 122.8 Ų | 122.8 | 76% | 0.763 | 67% | 0.674 | S | S | * | * | | | trans | -73.8 | 81.5 | 150.6 | -100.8 | -93.2 | 0 | 0 | 0 | 107.3 | S185 V189 | S185-F187 PolarHBondContact O-N 2.85Å; S185-F187 VanDerWaalsContact O-N 3.08Å; S185-F187 WeakPolarHBondContact OG-CB 3.47Å; S185-F187 PolarHBondContact OG-N 2.84Å; F187-V189 VanDerWaalsContact C-N 3.27Å; F187-V189 PolarHBondContact O-N 2.75Å |
| 188 | S | 41.5 | Very low | 57.1 | Low | 88 Ų | 88 | 125.6 Ų | 125.6 | 62% | 0.615 | 69% | 0.689 | S | S | * | * | | | trans | -50.3 | 107.3 | 142.5 | 179.5 | 0 | 0 | 0 | 0 | 105.8 | S186 E190 | S186-S188 PolarHBondContact O-N 2.83Å; S188-E190 PolarHBondContact O-N 3.2Å |
| 189 | V | 50 | Low | 54.7 | Low | 119 Ų | 119 | 127.9 Ų | 127.9 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | | | trans | -64.5 | 83.5 | 164.6 | 174.2 | 0 | 0 | 0 | 0 | 105.6 | F187 S191 | F187-V189 VanDerWaalsContact C-N 3.27Å; F187-V189 PolarHBondContact O-N 2.75Å; V189-S191 PolarHBondContact O-N 3.4Å |
| 190 | E | 41.1 | Very low | 51.7 | Low | 132 Ų | 132 | 126.3 Ų | 126.3 | 62% | 0.617 | 71% | 0.707 | S | S | * | * | | | trans | -70.8 | 65.1 | 160 | -175.5 | 74.8 | -150.6 | 0 | 0 | 106.6 | S188 K192 | S188-E190 PolarHBondContact O-N 3.2Å; E190-K192 HydrophobicContact CG-CD 4.09Å; E190-K192 HydrophobicContact CG-CG 3.89Å; E190-K192 PolarHBondContact O-N 3.46Å; E190-K192 WeakPolarHBondContact OE1-CE 3.45Å; E190-K192 WeakPolarHBondContact OE1-CG 3.33Å |
| 191 | S | 42.1 | Very low | 49.1 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | | | trans | -69.1 | 86.5 | 155.3 | 166.7 | 0 | 0 | 0 | 0 | 105.8 | V189 P193 | V189-S191 PolarHBondContact O-N 3.4Å; S191-P193 WeakPolarHBondContact O-CD 3.21Å |
| 192 | K | 36.3 | Very low | 46.4 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | | | trans | -65.4 | 114.1 | 159.8 | -76.3 | 162.3 | -178.9 | 173.5 | 0 | 108.4 | E190 I194 | E190-K192 HydrophobicContact CG-CD 4.09Å; E190-K192 HydrophobicContact CG-CG 3.89Å; E190-K192 PolarHBondContact O-N 3.46Å; E190-K192 WeakPolarHBondContact OE1-CE 3.45Å; E190-K192 WeakPolarHBondContact OE1-CG 3.33Å; K192-I194 PolarHBondContact O-N 3.1Å |
| 193 | P | 40.5 | Very low | 44.4 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | | | trans | -70.7 | 110.9 | 136.5 | 30.2 | -28.6 | 0 | 0 | 0 | 107 | S191 R195 | S191-P193 WeakPolarHBondContact O-CD 3.21Å; P193-R195 PolarHBondContact O-N 3.35Å; P193-R195 VanDerWaalsContact O-N 3.09Å |
| 194 | I | 46.5 | Very low | 42.3 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | | | trans | -54.1 | 114.3 | 162.2 | -72.4 | 165.1 | 0 | 0 | 0 | 107.5 | K192 | K192-I194 PolarHBondContact O-N 3.1Š|
| 195 | R | 35.6 | Very low | 40.9 | Very low | 220 Ų | 220 | 129.8 Ų | 129.8 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | | | | 174.8 | 121.5 | 119.5 | -90.3 | -153.7 | -81.3 | -134.4 | 3.1 | 113.9 | P193 | P193-R195 PolarHBondContact O-N 3.35Å; P193-R195 VanDerWaalsContact O-N 3.09Å |
| 196 | V | 37.4 | Very low | 40 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 70% | 0.703 | 74% | 0.744 | S | S | * | * | | | trans | 85.6 | 106.8 | 132.8 | -178.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 197 | T | 36.4 | Very low | 39.2 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | trans | 68.6 | 118.3 | 143.5 | -47.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 198 | Q | 36.6 | Very low | 38.4 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | | | | -170.1 | 148.1 | 57.1 | -150.7 | 169.5 | -72.2 | 0 | 0 | 110.6 | | |
| 199 | V | 41.5 | Very low | 38 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | | | trans | -31.1 | 134.1 | 165.9 | 178.8 | 0 | 0 | 0 | 0 | 115 | | |
| 200 | T | 30.7 | Very low | 37.3 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | | 177.8 | 125.2 | 116.5 | -67 | 0 | 0 | 0 | 0 | 111.2 | | |
| 201 | C | 36 | Very low | 36.8 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -66.7 | 135.2 | 167.1 | -43.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 202 | T | 30.2 | Very low | 36.2 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -166.9 | 119.8 | 142.1 | 18.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 203 | A | 39.8 | Very low | 36.1 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -68.2 | 135.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 204 | T | 32.7 | Very low | 35.9 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | -158.6 | 127.2 | 146.7 | 43.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 205 | N | 38.4 | Very low | 36 | Very low | 137 Ų | 137 | 137 Ų | 137 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | -36.3 | 143 | 156.2 | -102.6 | -39.9 | 0 | 0 | 0 | 114.7 | | |
| 206 | N | 41.4 | Very low | 35.9 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | 55.5 | 146.9 | 137.8 | -53.1 | -19.9 | 0 | 0 | 0 | 121.5 | | |
| 207 | L | 38.9 | Very low | 35.6 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | 79.1 | 95.7 | 140.9 | -169.5 | 66.8 | 0 | 0 | 0 | 117.2 | | |
| 208 | W | 32.5 | Very low | 35.7 | Very low | 254 Ų | 254 | 135.4 Ų | 135.4 | 96% | 0.962 | 79% | 0.788 | S | S | * | * | | | | -155.7 | 150.1 | 127.4 | 63.9 | -16.9 | 0 | 0 | 0 | 110.8 | | |
| 209 | K | 33.6 | Very low | 35.5 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 68% | 0.683 | 79% | 0.787 | S | S | * | * | | | trans | -118.9 | 159 | -159.8 | -158.9 | 179.2 | 155.3 | -71.9 | 0 | 106.3 | | |
| 210 | D | 34.7 | Very low | 35.1 | Very low | 133 Ų | 133 | 131 Ų | 131 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 88.5 | 124 | 159.4 | -53.9 | -42.8 | 0 | 0 | 0 | 118.6 | | |
| 211 | G | 30.2 | Very low | 35.4 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | | 110.8 | 98.2 | 124.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 212 | G | 31.2 | Very low | 35.6 | Very low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | | 93.8 | 111.2 | 124.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 213 | S | 32.9 | Very low | 35.9 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | trans | 66.6 | 122.6 | 135.1 | 37.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 214 | H | 37.2 | Very low | 35.5 | Very low | 159 Ų | 159 | 137 Ų | 137 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | -53 | 156.4 | 160.3 | -132.5 | -105.8 | 0 | 0 | 0 | 112.1 | D216 | H214-D216 PolarHBondContact ND1-N 3.33Š|
| 215 | P | 47.7 | Very low | 35.4 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | | -142.7 | 174.3 | 90.1 | 36.2 | -18.8 | 0 | 0 | 0 | 115.9 | | |
| 216 | D | 33.7 | Very low | 35.5 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | -42.9 | 149.5 | -174.9 | -57.4 | -70.1 | 0 | 0 | 0 | 118.5 | H214 | H214-D216 PolarHBondContact ND1-N 3.33Š|
| 217 | G | 32.3 | Very low | 35.2 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | trans | 161.7 | 70.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 218 | Q | 38.4 | Very low | 35.6 | Very low | 197 Ų | 197 | 133.5 Ų | 133.5 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | trans | 37.5 | 111.6 | 148 | -83.3 | 166.8 | -40.6 | 0 | 0 | 121.1 | | |
| 219 | G | 32.2 | Very low | 36 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | -154.4 | 103.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 220 | T | 33.4 | Very low | 36.1 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -70.4 | 140 | -175.1 | 48.1 | 0 | 0 | 0 | 0 | 112 | | |
| 221 | S | 36.3 | Very low | 36 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | | 148.9 | 150.4 | 111.1 | 54.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 222 | S | 40.3 | Very low | 36.2 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | cis | -171.6 | 91.8 | -10.7 | -85.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 223 | W | 35.5 | Very low | 36.4 | Very low | 254 Ų | 254 | 130.3 Ų | 130.3 | 96% | 0.962 | 78% | 0.781 | S | S | * | * | | | trans | -173.4 | 93.7 | 144.7 | -135.2 | -58.3 | 0 | 0 | 0 | 110.6 | | |
| 224 | S | 32.9 | Very low | 36.2 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -150.9 | 107.9 | 159.9 | 48.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 225 | S | 30.1 | Very low | 36.3 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | -89.1 | 154 | 173.7 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 226 | P | 41.2 | Very low | 36 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | | | trans | -99.2 | 141.6 | -153.9 | -5.5 | 27.7 | 0 | 0 | 0 | 117.4 | | |
| 227 | F | 35.1 | Very low | 36.3 | Very low | 200 Ų | 200 | 129.5 Ų | 129.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | 67.4 | 158 | 150.2 | -60.7 | -68.9 | 0 | 0 | 0 | 122.5 | | |
| 228 | P | 45.9 | Very low | 36.4 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 59% | 0.591 | 80% | 0.797 | S | S | * | * | | | cis | -127.6 | 169.6 | -41.2 | 37.6 | -22.5 | 0 | 0 | 0 | 112.9 | | |
| 229 | P | 41.9 | Very low | 36.2 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | -86.9 | 128.1 | 171.4 | 33.3 | -27.3 | 0 | 0 | 0 | 110.5 | | |
| 230 | Q | 34.1 | Very low | 36.5 | Very low | 169 Ų | 169 | 129.5 Ų | 129.5 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -118.4 | 137 | 172.3 | -70.5 | -74.3 | -32.2 | 0 | 0 | 110.3 | | |
| 231 | V | 34 | Very low | 36.4 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | | | trans | -93.5 | 151.9 | -175.9 | -74.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 232 | S | 33 | Very low | 36.5 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | 80.3 | 124.2 | 150.9 | -55.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 233 | S | 35.8 | Very low | 36 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | 54.3 | 124.4 | 130.7 | -49.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 234 | C | 28.8 | Very low | 36.8 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | | 156.6 | 135.1 | 118.7 | -73.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 235 | L | 39.7 | Very low | 36.6 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | trans | -63.9 | 162.9 | 163.5 | -61.5 | 168.3 | 0 | 0 | 0 | 110.7 | | |
| 236 | P | 41.2 | Very low | 36.8 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | | -148 | 155.7 | 88.4 | 34.8 | -15.6 | 0 | 0 | 0 | 116.9 | | |
| 237 | S | 39.6 | Very low | 36.5 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -62.2 | 149.5 | 159.9 | -64.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 238 | V | 34.8 | Very low | 36.3 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | | | trans | -143.9 | 133.1 | 139.6 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 239 | S | 34.3 | Very low | 35.6 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -81.3 | 156.7 | -177.9 | -54.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 240 | A | 38.9 | Very low | 35.6 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | 57.9 | 128.8 | 138.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 241 | S | 30.7 | Very low | 35.4 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | | | trans | -148.9 | 133.4 | 134.8 | -166.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 242 | V | 38.6 | Very low | 35.6 | Very low | 122 Ų | 122 | 125 Ų | 125 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | | | trans | -91.2 | 143.3 | -174.7 | 169.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 243 | H | 30.4 | Very low | 35.6 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | | | trans | -139.3 | 130.1 | 150.3 | -157.2 | -84.7 | 0 | 0 | 0 | 112 | | |
| 244 | P | 51.5 | Low | 35.6 | Very low | 84 Ų | 84 | 129.4 Ų | 129.4 | 55% | 0.545 | 79% | 0.786 | S | S | . | * | | | trans | -97 | -179.8 | 179.1 | 39.1 | -32.7 | 0 | 0 | 0 | 112.6 | | |
| 245 | E | 29 | Very low | 35.7 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | trans | 80.6 | 120.5 | 179.7 | -55.2 | -172.5 | 147.8 | 0 | 0 | 114.4 | | |
| 246 | F | 35.4 | Very low | 36.3 | Very low | 193 Ų | 193 | 127.7 Ų | 127.7 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | cis | -146.2 | 159.6 | 44.2 | -88.2 | -91.6 | 0 | 0 | 0 | 113.9 | | |
| 247 | S | 33.1 | Very low | 36.3 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | -99.8 | 149.1 | -170.1 | 178.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 248 | S | 32 | Very low | 36 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | 59.4 | 116.8 | 145.1 | -55.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 249 | S | 30.5 | Very low | 36.2 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | | 154.8 | 143.4 | 103.4 | -169 | 0 | 0 | 0 | 0 | 113 | | |
| 250 | P | 43.5 | Very low | 36.5 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 136.3 | 179.9 | 35.7 | -29 | 0 | 0 | 0 | 112.5 | | |
| 251 | V | 29.9 | Very low | 36.4 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 126.5 | 166.7 | 153.5 | 0 | 0 | 0 | 0 | 109.8 | F253 | V251-F253 HydrophobicContact CG1-CD2 3.63Å; V251-F253 HydrophobicContact CG1-CE2 3.81Å |
| 252 | S | 37 | Very low | 36.8 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 132.6 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 253 | F | 33.4 | Very low | 36.5 | Very low | 192 Ų | 192 | 131.7 Ų | 131.7 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -145.2 | 144.9 | 159.2 | -87 | -76 | 0 | 0 | 0 | 111.9 | V251 | V251-F253 HydrophobicContact CG1-CD2 3.63Å; V251-F253 HydrophobicContact CG1-CE2 3.81Å |
| 254 | S | 36.3 | Very low | 36.7 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -86.6 | 156.2 | -162 | 39.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 255 | H | 30.7 | Very low | 36.1 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | | | trans | -53.4 | 168.3 | 162.6 | -144 | 49.3 | 0 | 0 | 0 | 112.1 | D257 | H255-D257 IonicContact CD2-OD1 3.8Å; H255-D257 IonicContact CE1-OD1 3.75Å; H255-D257 IonicContact NE2-OD1 2.91Å; H255-D257 PolarHBondContact NE2-OD1 2.9Å |
| 256 | P | 52.6 | Low | 36.3 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | | | cis | -149.7 | 172.9 | 27.7 | 42.5 | -19.7 | 0 | 0 | 0 | 120.2 | | |
| 257 | D | 40.6 | Very low | 36.2 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | 27.5 | 133.9 | 147.7 | -50.3 | -25.3 | 0 | 0 | 0 | 122.5 | H255 | H255-D257 IonicContact CD2-OD1 3.8Å; H255-D257 IonicContact CE1-OD1 3.75Å; H255-D257 IonicContact NE2-OD1 2.91Å; H255-D257 PolarHBondContact NE2-OD1 2.9Å |
| 258 | G | 31.9 | Very low | 36.1 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | trans | 160.2 | 114.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 259 | A | 39.9 | Very low | 36.1 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | -62.4 | 133.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 260 | L | 40.7 | Very low | 36.1 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | | | trans | -161.7 | 113.1 | 155.2 | -72 | -178.3 | 0 | 0 | 0 | 109.3 | | |
| 261 | W | 37.4 | Very low | 35.7 | Very low | 256 Ų | 256 | 137.1 Ų | 137.1 | 97% | 0.97 | 80% | 0.8 | S | S | * | * | | | trans | -160.3 | 84.9 | 132.4 | -77.2 | 115 | 0 | 0 | 0 | 107.9 | | |
| 262 | A | 39.3 | Very low | 35.9 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -81.2 | 119.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 263 | S | 30.8 | Very low | 35.7 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | | | trans | -157.9 | 139.5 | 153.7 | -158.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 264 | H | 36.1 | Very low | 36 | Very low | 185 Ų | 185 | 132.8 Ų | 132.8 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | 96.8 | 79.5 | 179 | -55 | -72.5 | 0 | 0 | 0 | 117.1 | | |
| 265 | V | 37.6 | Very low | 35.8 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -113.3 | 114.1 | 153.2 | -96.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 266 | L | 33.9 | Very low | 36.2 | Very low | 168 Ų | 168 | 129.2 Ų | 129.2 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | trans | 171.9 | 125.6 | 145.1 | -123.9 | 67.2 | 0 | 0 | 0 | 105.8 | | |
| 267 | S | 33.3 | Very low | 35.2 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | cis | -150.9 | 128.9 | 16.8 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 268 | Q | 31.4 | Very low | 34.9 | Very low | 201 Ų | 201 | 130.8 Ų | 130.8 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | | | trans | 7.9 | 110.5 | 140.8 | -157.3 | 171.6 | 50.7 | 0 | 0 | 119.5 | | |
| 269 | A | 31.1 | Very low | 34.9 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -149.4 | 133.2 | 138.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 270 | S | 30.6 | Very low | 34.6 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 132.3 | -170.1 | -169.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 271 | I | 34.7 | Very low | 34.4 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 124.1 | 168.9 | -52.2 | 170.6 | 0 | 0 | 0 | 107.9 | | |
| 272 | P | 35.5 | Very low | 34.4 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 132.3 | 154.7 | 30.3 | -26.8 | 0 | 0 | 0 | 109.8 | | |
| 273 | S | 32.4 | Very low | 34 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 131.8 | 179.8 | -158.3 | 0 | 0 | 0 | 0 | 112.7 | A275 | S273-A275 PolarHBondContact O-N 3.47Š|
| 274 | P | 38.4 | Very low | 34.2 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | trans | -80.8 | 114.5 | 174.5 | 29.6 | -29.6 | 0 | 0 | 0 | 110.6 | | |
| 275 | A | 33.8 | Very low | 34.5 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | | | trans | -59.9 | 143.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S273 L277 | S273-A275 PolarHBondContact O-N 3.47Å; A275-L277 PolarHBondContact O-N 2.95Å |
| 276 | S | 38.2 | Very low | 34.1 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -9.7 | 114 | 164.3 | 58 | 0 | 0 | 0 | 0 | 117 | | |
| 277 | L | 31.4 | Very low | 34.5 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | | | trans | -112.6 | 103.7 | 149.1 | -76 | 174.2 | 0 | 0 | 0 | 108.4 | A275 | A275-L277 PolarHBondContact O-N 2.95Š|
| 278 | S | 34.9 | Very low | 34.8 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | | | trans | -65.6 | 129.4 | 162.5 | -57.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 279 | D | 31.4 | Very low | 34.7 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | 172.2 | 80.8 | 131.7 | -84.9 | -29.4 | 0 | 0 | 0 | 108.7 | | |
| 280 | S | 34.4 | Very low | 35 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -118.3 | 109 | 158.3 | -72.1 | 0 | 0 | 0 | 0 | 106.2 | T282 | S280-T282 PolarHBondContact O-N 3.21Š|
| 281 | W | 35.6 | Very low | 35.2 | Very low | 245 Ų | 245 | 135.6 Ų | 135.6 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | | | trans | -54.1 | 101.9 | 179 | -75.9 | 77.2 | 0 | 0 | 0 | 110.1 | | |
| 282 | T | 37.8 | Very low | 35 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | | | trans | -101.1 | 107.6 | 170.8 | 44.8 | 0 | 0 | 0 | 0 | 107.7 | S280 S284 | S280-T282 PolarHBondContact O-N 3.21Å; T282-S284 PolarHBondContact O-N 3.23Å |
| 283 | Y | 30.2 | Very low | 35 | Very low | 221 Ų | 221 | 137.3 Ų | 137.3 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -58.4 | 104.5 | 162.7 | -94.6 | -94 | 0 | 0 | 0 | 107.8 | L285 | Y283-L285 PolarHBondContact O-N 2.79Å; Y283-L285 VanDerWaalsContact O-N 3.15Å |
| 284 | S | 34.8 | Very low | 35.6 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -75.2 | 99.4 | 172 | -69.8 | 0 | 0 | 0 | 0 | 108.8 | T282 S286 | T282-S284 PolarHBondContact O-N 3.23Å; S284-S286 PolarHBondContact O-N 3Å |
| 285 | L | 41.9 | Very low | 35.7 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -72.7 | 106 | 161.1 | -72 | 168 | 0 | 0 | 0 | 107.4 | Y283 P287 | Y283-L285 PolarHBondContact O-N 2.79Å; Y283-L285 VanDerWaalsContact O-N 3.15Å; L285-P287 WeakPolarHBondContact O-CD 3.33Å |
| 286 | S | 31 | Very low | 36.1 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -64.6 | 123 | 174.6 | -162.1 | 0 | 0 | 0 | 0 | 110.2 | S284 Q288 | S284-S286 PolarHBondContact O-N 3Å; S286-Q288 PolarHBondContact O-N 3.28Å |
| 287 | P | 40.7 | Very low | 36.5 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | | | trans | -84.6 | 105.2 | 166.2 | 29.6 | -25.4 | 0 | 0 | 0 | 109.2 | L285 | L285-P287 WeakPolarHBondContact O-CD 3.33Š|
| 288 | Q | 39.7 | Very low | 37 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -91.9 | 108.4 | 168.7 | -172 | 178.7 | 9.7 | 0 | 0 | 110.2 | S286 | S286-Q288 PolarHBondContact O-N 3.28Š|
| 289 | A | 30.6 | Very low | 37.4 | Very low | 85 Ų | 85 | 142.6 Ų | 142.6 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | | | trans | 177 | 119.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 290 | T | 36.9 | Very low | 37.8 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | | | | -168.1 | 158.1 | 59.8 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 291 | S | 34.4 | Very low | 38.3 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | 110.6 | 113 | 161.8 | -160.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 292 | G | 30.3 | Very low | 38.2 | Very low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | 108.2 | 85.5 | 145.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 293 | Y | 35.2 | Very low | 38.8 | Very low | 224 Ų | 224 | 145.9 Ų | 145.9 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | -71.8 | 144.2 | 146.6 | -101.9 | -90.2 | 0 | 0 | 0 | 108.6 | | |
| 294 | P | 46.6 | Very low | 39.8 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | | -138.9 | 137.5 | 76.7 | 31.3 | -11.6 | 0 | 0 | 0 | 114 | | |
| 295 | N | 40.4 | Very low | 40.3 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 65% | 0.652 | 81% | 0.805 | S | S | * | * | | | | 64.5 | 109.4 | 103.8 | -158.8 | -15.9 | 0 | 0 | 0 | 115.1 | | |
| 296 | V | 42.4 | Very low | 40.1 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | | -169.3 | 125.1 | 114.2 | -86.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 297 | H | 46 | Very low | 40.7 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | | | trans | -65.8 | 132.1 | 163.5 | -79.9 | -84 | 0 | 0 | 0 | 110.5 | | |
| 298 | D | 41.9 | Very low | 41.2 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -138.8 | 99.1 | 147.8 | -106.7 | -47.6 | 0 | 0 | 0 | 107.3 | | |
| 299 | V | 43.1 | Very low | 41.3 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 61% | 0.612 | 79% | 0.789 | S | S | * | * | | | | 86.5 | 101 | 101 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | H301 | V299-H301 PolarHBondContact O-N 3.35Š|
| 300 | Y | 40.1 | Very low | 42 | Very low | 214 Ų | 214 | 148.7 Ų | 148.7 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -26 | 117.9 | 154.3 | -85.8 | -101.7 | 0 | 0 | 0 | 112.8 | | |
| 301 | H | 44.2 | Very low | 42.2 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | -126.5 | 109.8 | 150.7 | -85.4 | -2 | 0 | 0 | 0 | 110.9 | V299 | V299-H301 PolarHBondContact O-N 3.35Š|
| 302 | S | 34.5 | Very low | 42.5 | Very low | 100 Ų | 100 | 151 Ų | 151 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | -67.8 | 145.1 | -179.1 | -43.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 303 | H | 50.5 | Low | 43 | Very low | 190 Ų | 190 | 157.3 Ų | 157.3 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | | | trans | -52.5 | 153.4 | 164.9 | -58.5 | -61.9 | 0 | 0 | 0 | 113.1 | | |
| 304 | P | 49.8 | Very low | 43.2 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -121.8 | 128.4 | 138.4 | 26.9 | -12.8 | 0 | 0 | 0 | 112.3 | | |
| 305 | R | 46.3 | Very low | 42.9 | Very low | 247 Ų | 247 | 155.8 Ų | 155.8 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | | | trans | -65.3 | 140.5 | 162.5 | -85.9 | 178 | 166.3 | 146.3 | -4.1 | 110.2 | | |
| 306 | S | 37.7 | Very low | 42.9 | Very low | 116 Ų | 116 | 158.5 Ų | 158.5 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | | | trans | -150.4 | 98.1 | 148.8 | 60.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 307 | H | 43.9 | Very low | 42.6 | Very low | 166 Ų | 166 | 158 Ų | 158 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -87.8 | 140.6 | 155.7 | -94.1 | -72.4 | 0 | 0 | 0 | 108.5 | | |
| 308 | P | 51.2 | Low | 42.6 | Very low | 107 Ų | 107 | 157.7 Ų | 157.7 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | trans | -117.9 | 120.2 | 145.7 | 31.4 | -18.8 | 0 | 0 | 0 | 110 | | |
| 309 | H | 40.3 | Very low | 42.6 | Very low | 156 Ų | 156 | 158.6 Ų | 158.6 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -80.4 | 125.1 | 159 | -75.2 | -76.7 | 0 | 0 | 0 | 108.4 | | |
| 310 | I | 46.5 | Very low | 42.3 | Very low | 148 Ų | 148 | 162.2 Ų | 162.2 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | -127.6 | 117.3 | 161.2 | -63.1 | 177.7 | 0 | 0 | 0 | 107.5 | | |
| 311 | H | 40.6 | Very low | 42.2 | Very low | 177 Ų | 177 | 157.6 Ų | 157.6 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | | | trans | -88.1 | 123.9 | 165 | -74.4 | -76.4 | 0 | 0 | 0 | 109 | | |
| 312 | T | 41.4 | Very low | 41.8 | Very low | 137 Ų | 137 | 159.3 Ų | 159.3 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | | | trans | -141.6 | 133.2 | 154.9 | -11.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 313 | R | 41.4 | Very low | 41.7 | Very low | 205 Ų | 205 | 158.1 Ų | 158.1 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | | | trans | -98.5 | 142.2 | -165.5 | -153.8 | -160.1 | -80.1 | -143.6 | 7.1 | 109.8 | | |
| 314 | H | 38.8 | Very low | 41.2 | Very low | 139 Ų | 139 | 154.7 Ų | 154.7 | 64% | 0.644 | 79% | 0.791 | S | S | * | * | | | trans | 76 | 135.6 | 167.6 | -49.5 | -68.2 | 0 | 0 | 0 | 115.8 | | |
| 315 | H | 40.8 | Very low | 40.7 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | | | cis | -152.8 | 163.4 | 34.2 | -77 | -95.4 | 0 | 0 | 0 | 111.9 | | |
| 316 | H | 38.9 | Very low | 40.2 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | -58 | 141 | 176.4 | -57.2 | -93.6 | 0 | 0 | 0 | 114.5 | | |
| 317 | S | 37.4 | Very low | 40.6 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -163.6 | 137.4 | 131.9 | -89.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 318 | M | 46.2 | Very low | 40.8 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | | | trans | -48.8 | 140.7 | 176.2 | -63.3 | -86.4 | -166.5 | 0 | 0 | 112.6 | | |
| 319 | L | 40.2 | Very low | 40.8 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | | | | 176.1 | 108.7 | 127.8 | -89.3 | 167.1 | 0 | 0 | 0 | 108.7 | S321 | L319-S321 PolarHBondContact O-N 3.15Š|
| 320 | H | 37.2 | Very low | 41.1 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 82% | 0.819 | 76% | 0.761 | S | S | * | * | | | trans | -71.3 | 105.6 | 172.8 | -79.8 | -80.5 | 0 | 0 | 0 | 110.2 | Y322 | H320-Y322 PolarHBondContact O-N 2.88Š|
| 321 | S | 37.3 | Very low | 41.6 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -80.6 | 102.7 | 161.4 | -58 | 0 | 0 | 0 | 0 | 108.8 | L319 S323 | L319-S321 PolarHBondContact O-N 3.15Å; S321-S323 PolarHBondContact O-N 2.95Å |
| 322 | Y | 36.6 | Very low | 42.4 | Very low | 221 Ų | 221 | 142.3 Ų | 142.3 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | | | trans | -61.7 | 116.4 | 164.8 | -88 | -95.1 | 0 | 0 | 0 | 109 | H320 | H320-Y322 PolarHBondContact O-N 2.88Š|
| 323 | S | 33.1 | Very low | 42.9 | Very low | 76 Ų | 76 | 142 Ų | 142 | 53% | 0.531 | 74% | 0.741 | S | S | . | * | | | trans | -89.7 | 120.7 | 164.1 | -175.1 | 0 | 0 | 0 | 0 | 109 | S321 H325 | S321-S323 PolarHBondContact O-N 2.95Å; S323-H325 PolarHBondContact O-N 3.49Å; S323-H325 PolarHBondContact OG-CD2 2.89Å; S323-H325 PolarHBondContact OG-CE1 2.94Å; S323-H325 PolarHBondContact OG-NE2 3.42Å |
| 324 | P | 40.2 | Very low | 43.4 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | | | trans | -90.5 | 85.5 | 175.1 | 34.9 | -27.1 | 0 | 0 | 0 | 108.7 | | |
| 325 | H | 37.7 | Very low | 44.2 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | -106.5 | 82 | 161.5 | -57.4 | -42.7 | 0 | 0 | 0 | 107.8 | S323 | S323-H325 PolarHBondContact O-N 3.49Å; S323-H325 PolarHBondContact OG-CD2 2.89Å; S323-H325 PolarHBondContact OG-CE1 2.94Å; S323-H325 PolarHBondContact OG-NE2 3.42Å |
| 326 | S | 37 | Very low | 44.9 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | -88.5 | 118.5 | 166.1 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | A328 | S326-A328 PolarHBondContact O-N 2.87Š|
| 327 | P | 45.1 | Very low | 45.8 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | | | trans | -67.6 | 126.6 | 167.8 | 27.7 | -28.7 | 0 | 0 | 0 | 107.7 | L329 | P327-L329 PolarHBondContact O-N 3.47Š|
| 328 | A | 49.4 | Very low | 46.5 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 88% | 0.876 | 73% | 0.731 | S | S | * | * | | | trans | -51.6 | 102.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S326 | S326-A328 PolarHBondContact O-N 2.87Š|
| 329 | L | 50.5 | Low | 46.5 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | | | trans | -77.7 | 130.2 | 169.7 | -68.7 | 171.9 | 0 | 0 | 0 | 108.4 | P327 | P327-L329 PolarHBondContact O-N 3.47Š|
| 330 | D | 46.8 | Very low | 46.6 | Very low | 59 Ų | 59 | 127.1 Ų | 127.1 | 32% | 0.316 | 72% | 0.722 | S | S | . | * | | | trans | -50.7 | 128.8 | 174.5 | 175.7 | -4.6 | 0 | 0 | 0 | 110.5 | R332 F333 | D330-R332 PolarHBondContact O-N 3.23Å; D330-R332 WeakPolarHBondContact OD1-CG 3.17Å; D330-R332 PolarHBondContact OD1-N 2.91Å; D330-R332 IonicContact OD1-NE 3.4Å; D330-R332 PolarHBondContact OD1-NE 3.48Å; D330-R332 IonicContact OD2-CZ 3.23Å; D330-R332 VanDerWaalsContact OD2-CZ 3.23Å; D330-R332 IonicContact OD2-NE 2.84Å; D330-R332 PolarHBondContact OD2-NE 3.31Å; D330-R332 IonicContact OD2-NH2 2.75Å; D330-R332 PolarHBondContact OD2-NH2 3.4Å; D330-F333 HydrophobicContact CB-CD2 3.99Å; D330-F333 HydrophobicContact CB-CE2 4.13Å; D330-F333 PolarHBondContact O-N 3.08Å; D330-F333 VanDerWaalsContact O-N 3.1Å |
| 331 | P | 57.6 | Low | 46.8 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -57.6 | -13.2 | -176.6 | 20.6 | -32.3 | 0 | 0 | 0 | 114.4 | F333 N334 | P331-F333 PolarHBondContact O-N 3.48Å; P331-N334 PolarHBondContact O-N 3.21Å |
| 332 | R | 57.8 | Low | 47.1 | Very low | 192 Ų | 192 | 131 Ų | 131 | 73% | 0.725 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -69.4 | -14.3 | 175.8 | -62.7 | -174.4 | -58.5 | 148 | 4.3 | 114.7 | D330 | D330-R332 PolarHBondContact O-N 3.23Å; D330-R332 WeakPolarHBondContact OD1-CG 3.17Å; D330-R332 PolarHBondContact OD1-N 2.91Å; D330-R332 IonicContact OD1-NE 3.4Å; D330-R332 PolarHBondContact OD1-NE 3.48Å; D330-R332 IonicContact OD2-CZ 3.23Å; D330-R332 VanDerWaalsContact OD2-CZ 3.23Å; D330-R332 IonicContact OD2-NE 2.84Å; D330-R332 PolarHBondContact OD2-NE 3.31Å; D330-R332 IonicContact OD2-NH2 2.75Å; D330-R332 PolarHBondContact OD2-NH2 3.4Å |
| 333 | F | 50.8 | Low | 46.8 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 57% | 0.566 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -102.4 | 4.6 | 179.2 | -60.2 | -78 | 0 | 0 | 0 | 114.1 | D330 P331 A335 | D330-F333 HydrophobicContact CB-CD2 3.99Å; D330-F333 HydrophobicContact CB-CE2 4.13Å; D330-F333 PolarHBondContact O-N 3.08Å; D330-F333 VanDerWaalsContact O-N 3.1Å; P331-F333 PolarHBondContact O-N 3.48Å; F333-A335 VanDerWaalsContact C-N 3.28Å; F333-A335 PolarHBondContact O-N 3.45Å |
| 334 | N | 51.8 | Low | 46.9 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 61% | 0.61 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -77.8 | -8.4 | -176.5 | -133.2 | -21.3 | 0 | 0 | 0 | 114.1 | P331 L336 | P331-N334 PolarHBondContact O-N 3.21Å; N334-L336 VanDerWaalsContact C-N 3.3Å; N334-L336 PolarHBondContact O-N 3.37Å |
| 335 | A | 55.4 | Low | 46.6 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -81.5 | -4.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F333 | F333-A335 VanDerWaalsContact C-N 3.28Å; F333-A335 PolarHBondContact O-N 3.45Å |
| 336 | L | 57 | Low | 46.4 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -106.9 | 1.5 | -179 | -62.7 | 176.8 | 0 | 0 | 0 | 113.6 | N334 | N334-L336 VanDerWaalsContact C-N 3.3Å; N334-L336 PolarHBondContact O-N 3.37Å |
| 337 | L | 56.3 | Low | 46.2 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -94.5 | 106.2 | 171.9 | -65.8 | 173.7 | 0 | 0 | 0 | 108.9 | | |
| 338 | L | 52.7 | Low | 45.5 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | -55.9 | 140.8 | 172.1 | -73.1 | 150.8 | 0 | 0 | 0 | 110.1 | G340 | L338-G340 PolarHBondContact O-N 2.91Š|
| 339 | P | 46.5 | Very low | 44.6 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -57.4 | 109.5 | 177.9 | -22.9 | 32.6 | 0 | 0 | 0 | 110.9 | V341 | P339-V341 PolarHBondContact O-N 3.39Š|
| 340 | G | 42.4 | Very low | 43.6 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | -59.8 | 128.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L338 R342 | L338-G340 PolarHBondContact O-N 2.91Å; G340-R342 PolarHBondContact O-N 3.37Å |
| 341 | V | 40.4 | Very low | 43.1 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -49 | 102.5 | 165.7 | 171.9 | 0 | 0 | 0 | 0 | 109 | P339 S343 | P339-V341 PolarHBondContact O-N 3.39Å; V341-S343 PolarHBondContact O-N 2.91Å |
| 342 | R | 43.2 | Very low | 41.8 | Very low | 239 Ų | 239 | 132.5 Ų | 132.5 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | | | trans | -82.9 | 103.5 | 167.2 | -170.6 | 173.5 | -175.6 | 144.8 | -0.2 | 107.9 | G340 Q344 | G340-R342 PolarHBondContact O-N 3.37Å; R342-Q344 PolarHBondContact O-N 3.08Å; R342-Q344 VanDerWaalsContact O-N 3.13Å |
| 343 | S | 30.8 | Very low | 40.6 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -55.9 | 111 | 171.1 | -48.2 | 0 | 0 | 0 | 0 | 110.2 | V341 S345 | V341-S343 PolarHBondContact O-N 2.91Å; S343-S345 PolarHBondContact O-N 3.5Å |
| 344 | Q | 35.6 | Very low | 39.6 | Very low | 189 Ų | 189 | 128.4 Ų | 128.4 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -79.3 | 101.2 | 173.5 | -176.7 | 171 | 4 | 0 | 0 | 108.8 | R342 | R342-Q344 PolarHBondContact O-N 3.08Å; R342-Q344 VanDerWaalsContact O-N 3.13Å |
| 345 | S | 32.8 | Very low | 39.2 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -151.5 | 84.9 | 166.7 | -77.6 | 0 | 0 | 0 | 0 | 109.7 | S343 | S343-S345 PolarHBondContact O-N 3.5Š|
| 346 | Q | 34.8 | Very low | 37.9 | Very low | 201 Ų | 201 | 131.7 Ų | 131.7 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | | | trans | -162.7 | 132.4 | 145.3 | -112.6 | 170.1 | 15.1 | 0 | 0 | 109.8 | | |
| 347 | A | 32.3 | Very low | 36.7 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | -94.1 | 163.2 | -171 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 348 | A | 31 | Very low | 35.5 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | 68.3 | 130.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 349 | T | 30.6 | Very low | 34.4 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | cis | -160 | 137.4 | 40.6 | 40.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 350 | S | 29.5 | Very low | 33.5 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -172 | 139.5 | 131.6 | -82 | 0 | 0 | 0 | 0 | 112.3 | | |
| 351 | P | 35.8 | Very low | 33 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | trans | -93.2 | 155.5 | -168 | 38 | -33.5 | 0 | 0 | 0 | 112.2 | | |
| 352 | G | 30.5 | Very low | 32.7 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | trans | 159.9 | 97 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 353 | S | 31.6 | Very low | 31.9 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | 60.7 | 107.6 | 148.9 | 51.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 354 | S | 29.7 | Very low | 32.2 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -69 | 169.6 | 138 | -155.2 | 0 | 0 | 0 | 0 | 109 | | |
| 355 | P | 44.7 | Very low | 32 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | cis | -151.3 | 173.6 | 21.4 | 46.8 | -26.3 | 0 | 0 | 0 | 118.9 | | |
| 356 | H | 27.7 | Very low | 32 | Very low | 170 Ų | 170 | 127.3 Ų | 127.3 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | | | trans | 81.4 | 140 | 135.3 | -146.7 | -85.4 | 0 | 0 | 0 | 123.1 | | |
| 357 | S | 32.7 | Very low | 31.8 | Very low | 89 Ų | 89 | 121.2 Ų | 121.2 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | | | trans | 81.9 | 107 | 152.9 | 28.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 358 | D | 30.9 | Very low | 31.7 | Very low | 167 Ų | 167 | 121.7 Ų | 121.7 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | | | | 36.1 | 123.5 | 115.8 | -93.2 | -36 | 0 | 0 | 0 | 121.2 | | |
| 359 | G | 29.3 | Very low | 31.7 | Very low | 81 Ų | 81 | 124.6 Ų | 124.6 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | | 90.6 | 126.7 | 121 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 360 | G | 28.3 | Very low | 31.8 | Very low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | 124 | 87.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 361 | K | 31.2 | Very low | 32.4 | Very low | 212 Ų | 212 | 123.4 Ų | 123.4 | 92% | 0.922 | 78% | 0.78 | S | S | * | * | | | trans | 13.2 | 122 | 130.8 | -158.1 | -173.8 | -168.3 | -125.7 | 0 | 118 | | |
| 362 | A | 32.9 | Very low | 32.3 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | | | | 151.6 | 150.7 | 117.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 363 | E | 28.3 | Very low | 32.3 | Very low | 185 Ų | 185 | 126.6 Ų | 126.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | 89.3 | 88.8 | 145 | -133.7 | 162.5 | 132.6 | 0 | 0 | 120.3 | | |
| 364 | L | 36.3 | Very low | 32.3 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | | 1.6 | 120.7 | 123.2 | -161 | 135.4 | 0 | 0 | 0 | 117.1 | | |
| 365 | D | 31.2 | Very low | 32.3 | Very low | 139 Ų | 139 | 125 Ų | 125 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | | -168.9 | 156.7 | 109 | -137.8 | -51.8 | 0 | 0 | 0 | 111.9 | | |
| 366 | L | 32.8 | Very low | 31.7 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -77.7 | 157.7 | -165.2 | -67.5 | 95.5 | 0 | 0 | 0 | 114.4 | | |
| 367 | G | 29.5 | Very low | 31.9 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | -170.8 | 78.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 368 | S | 30.4 | Very low | 31.6 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -11 | 129.4 | 160.2 | 54.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 369 | N | 30.8 | Very low | 31.5 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | | -156.4 | 124.8 | 83.1 | -75.2 | -20.5 | 0 | 0 | 0 | 111.4 | | |
| 370 | S | 33.6 | Very low | 31.8 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -114.4 | 153.2 | 160 | -98.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 371 | P | 43.1 | Very low | 32.3 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | | -147.9 | 149.7 | 62.9 | 22.9 | 3.1 | 0 | 0 | 0 | 118.9 | | |
| 372 | I | 33.7 | Very low | 32.6 | Very low | 155 Ų | 155 | 126.6 Ų | 126.6 | 80% | 0.795 | 78% | 0.779 | S | S | * | * | | | | 71.6 | 131.1 | 127.4 | -61 | 168 | 0 | 0 | 0 | 117.2 | | |
| 373 | S | 30.5 | Very low | 32.6 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | cis | -171.2 | 166.9 | -3.5 | -109.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 374 | A | 30.9 | Very low | 33 | Very low | 106 Ų | 106 | 127 Ų | 127 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | | | trans | 105.8 | 82.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 375 | A | 30.2 | Very low | 33 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -110.3 | 145.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 376 | S | 32 | Very low | 33 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 141.1 | 178.8 | 49.2 | 0 | 0 | 0 | 0 | 116 | | |
| 377 | V | 32.2 | Very low | 32.9 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 121.7 | 170.3 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 378 | S | 26.3 | Very low | 33.4 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88 | 129.1 | 165.5 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 379 | W | 27.7 | Very low | 33.6 | Very low | 228 Ų | 228 | 131.5 Ų | 131.5 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 130.1 | 177.5 | -97.4 | 77.3 | 0 | 0 | 0 | 111.4 | | |
| 380 | T | 35 | Very low | 33.9 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | trans | -139.4 | 135.8 | 160.5 | -7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 381 | P | 39 | Very low | 34.1 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -92.9 | 147.8 | -175.2 | 35 | -31.1 | 0 | 0 | 0 | 112.1 | | |
| 382 | P | 37.8 | Very low | 33.8 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -114.2 | 144.9 | 158.9 | 33.5 | -21.6 | 0 | 0 | 0 | 112.8 | | |
| 383 | A | 34.3 | Very low | 34 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -65.6 | 142.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 384 | L | 36.1 | Very low | 34.6 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | | | trans | -121.7 | 125.9 | 168.7 | -85.3 | 169.8 | 0 | 0 | 0 | 111.2 | | |
| 385 | H | 35.5 | Very low | 35.2 | Very low | 192 Ų | 192 | 136 Ų | 136 | 89% | 0.889 | 80% | 0.796 | S | S | * | * | | | trans | -106.7 | 129.7 | 173.3 | -148 | -93.3 | 0 | 0 | 0 | 106.6 | | |
| 386 | G | 32.5 | Very low | 35.8 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | 78.9 | 129.5 | 141.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 387 | S | 30.7 | Very low | 36.1 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | 100.9 | 98.7 | 135.3 | -152.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 388 | L | 38.3 | Very low | 36.3 | Very low | 143 Ų | 143 | 140 Ų | 140 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | | | | 20 | 124.7 | 120.2 | -165 | 80.1 | 0 | 0 | 0 | 116.9 | | |
| 389 | E | 36 | Very low | 37 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | | | | -165.3 | 142.8 | 129 | -88.1 | -98.2 | 121.9 | 0 | 0 | 110.1 | | |
| 390 | T | 37.7 | Very low | 37.4 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | | | trans | -83.3 | 142.6 | -169.9 | -49.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 391 | Y | 37.6 | Very low | 37.7 | Very low | 230 Ų | 230 | 142.4 Ų | 142.4 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | trans | -142.9 | 121.1 | 152 | -115.2 | -84.3 | 0 | 0 | 0 | 111.9 | | |
| 392 | D | 35.5 | Very low | 37.8 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | | | trans | -89.5 | 143.6 | 173 | 176.3 | 29.1 | 0 | 0 | 0 | 109.4 | | |
| 393 | S | 39.5 | Very low | 37.9 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -172 | 105.2 | 147.5 | -85.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 394 | A | 43 | Very low | 38.8 | Very low | 85 Ų | 85 | 144.8 Ų | 144.8 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | | | trans | -62.3 | 148.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 395 | I | 42.5 | Very low | 39.1 | Very low | 177 Ų | 177 | 146 Ų | 146 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | | | trans | -145.1 | 118.4 | 134.9 | -144.8 | 118.5 | 0 | 0 | 0 | 109.7 | | |
| 396 | D | 43 | Very low | 39.7 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | trans | -84.2 | 149.5 | 172.9 | 177.1 | 41 | 0 | 0 | 0 | 110 | | |
| 397 | Q | 38.8 | Very low | 40 | Very low | 162 Ų | 162 | 152.7 Ų | 152.7 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | | | trans | 148 | 112.7 | 139.8 | -82.9 | -179.6 | 52.6 | 0 | 0 | 110.5 | | |
| 398 | T | 35.3 | Very low | 40.5 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | | 179.9 | 118.4 | 106.9 | 30 | 0 | 0 | 0 | 0 | 112.9 | | |
| 399 | K | 40.4 | Very low | 40.6 | Very low | 171 Ų | 171 | 155.2 Ų | 155.2 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | 83 | 92.9 | 130.9 | -157.8 | 169.9 | -175.3 | -72.3 | 0 | 120.3 | | |
| 400 | M | 36.6 | Very low | 40.9 | Very low | 156 Ų | 156 | 153.8 Ų | 153.8 | 77% | 0.768 | 79% | 0.789 | S | S | * | * | | | | 64.5 | 109.8 | 121.1 | -61.1 | 175 | -164.2 | 0 | 0 | 120.5 | | |
| 401 | K | 40.9 | Very low | 41.1 | Very low | 180 Ų | 180 | 156.8 Ų | 156.8 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | | 94.4 | 111.8 | 108 | -159 | 162.7 | 175.2 | 175.6 | 0 | 118.7 | | |
| 402 | T | 41.8 | Very low | 41.3 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | | | trans | 65.1 | 124 | 142.5 | 58.6 | 0 | 0 | 0 | 0 | 120 | | |
| 403 | S | 40.3 | Very low | 41.8 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | | -174.5 | 140 | 91.8 | -83.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 404 | I | 51.9 | Low | 41.9 | Very low | 153 Ų | 153 | 156.4 Ų | 156.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -96.7 | 161.6 | 169.3 | -63.1 | 173 | 0 | 0 | 0 | 107.7 | | |
| 405 | W | 44.1 | Very low | 41.9 | Very low | 202 Ų | 202 | 162.3 Ų | 162.3 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | | | trans | 106.4 | 128.6 | 163.5 | -76.6 | 66.4 | 0 | 0 | 0 | 113.1 | | |
| 406 | F | 46.4 | Very low | 41.8 | Very low | 250 Ų | 250 | 161 Ų | 161 | 100% | 1.096 | 80% | 0.795 | S | S | * | * | | | cis | -126.1 | 0 | 17.9 | -93.8 | -97.1 | 0 | 0 | 0 | 112.8 | | |