| 1 | M | 77.7 | Confident | 92.7 | Very high | 189 Ų | 189 | 123.2 Ų | 123.2 | 93% | 0.931 | 61% | 0.61 | S | S | * | * | | | | 0 | -38 | 0 | -66.2 | -52.2 | -178.5 | 0 | 0 | 114.7 | K3 L4 R5 | M1-K3 PolarHBondContact O-N 3.44Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-R5 PolarHBondContact O-N 3.25Å |
| 2 | A | 89.7 | Confident | 93 | Very high | 62 Ų | 62 | 120.3 Ų | 120.3 | 51% | 0.512 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -57.7 | -45.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L4 R5 Y6 | A2-L4 VanDerWaalsContact C-N 3.29Å; A2-L4 PolarHBondContact O-N 3.24Å; A2-R5 PolarHBondContact O-N 3.31Å; A2-R5 VanDerWaalsContact O-N 3.11Å; A2-Y6 WeakPolarHBondContact O-CD2 3.46Å; A2-Y6 PolarHBondContact O-N 3.45Å; A2-Y6 VanDerWaalsContact O-N 3.14Å |
| 3 | K | 90.3 | Very high | 93.2 | Very high | 192 Ų | 192 | 120.1 Ų | 120.1 | 84% | 0.835 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -57.4 | -38.7 | -179.5 | -64.4 | -176.4 | 179.3 | -178.9 | 0 | 113.4 | M1 Y6 A7 | M1-K3 PolarHBondContact O-N 3.44Å; K3-Y6 PolarHBondContact O-N 3.06Å; K3-A7 PolarHBondContact O-N 2.83Å; K3-A7 VanDerWaalsContact O-N 3.09Å |
| 4 | L | 94.3 | Very high | 93.4 | Very high | 125 Ų | 125 | 115.1 Ų | 115.1 | 65% | 0.654 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.4 | -38.4 | 178.8 | -172.4 | 67.7 | 0 | 0 | 0 | 111.6 | M1 A2 A7 F8 | M1-L4 PolarHBondContact O-N 3.47Å; A2-L4 VanDerWaalsContact C-N 3.29Å; A2-L4 PolarHBondContact O-N 3.24Å; L4-A7 PolarHBondContact O-N 3.42Å; L4-F8 WeakPolarHBondContact O-CB 3.19Å; L4-F8 PolarHBondContact O-N 3.42Å |
| 5 | R | 94.4 | Very high | 93.5 | Very high | 184 Ų | 184 | 112.5 Ų | 112.5 | 69% | 0.694 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.8 | -44.3 | 176.7 | -67.7 | -176.5 | 176.7 | -178.3 | -2.5 | 111.5 | M1 A2 F8 I9 | M1-R5 PolarHBondContact O-N 3.25Å; A2-R5 PolarHBondContact O-N 3.31Å; A2-R5 VanDerWaalsContact O-N 3.11Å; R5-F8 PolarHBondContact O-N 3.44Å; R5-I9 WeakPolarHBondContact O-CD1 3.5Å; R5-I9 VanDerWaalsContact O-CG1 3.25Å; R5-I9 WeakPolarHBondContact O-CG1 3.34Å; R5-I9 PolarHBondContact O-N 3.18Å |
| 6 | Y | 93.8 | Very high | 93.5 | Very high | 174 Ų | 174 | 109.8 Ų | 109.8 | 68% | 0.682 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.1 | -42.6 | 176.5 | -75.9 | -72.7 | 0 | 0 | 0 | 112.5 | A2 K3 F8 I9 A10 | A2-Y6 WeakPolarHBondContact O-CD2 3.46Å; A2-Y6 PolarHBondContact O-N 3.45Å; A2-Y6 VanDerWaalsContact O-N 3.14Å; K3-Y6 PolarHBondContact O-N 3.06Å; Y6-F8 PolarHBondContact O-N 3.27Å; Y6-I9 PolarHBondContact O-N 2.9Å; Y6-A10 VanDerWaalsContact O-CB 3.32Å; Y6-A10 WeakPolarHBondContact O-CB 3.22Å; Y6-A10 PolarHBondContact O-N 3.11Å |
| 7 | A | 95.6 | Very high | 93.3 | Very high | 59 Ų | 59 | 110.5 Ų | 110.5 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.2 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K3 L4 A10 F11 | K3-A7 PolarHBondContact O-N 2.83Å; K3-A7 VanDerWaalsContact O-N 3.09Å; L4-A7 PolarHBondContact O-N 3.42Å; A7-A10 PolarHBondContact O-N 2.98Å; A7-F11 WeakPolarHBondContact O-CB 3.48Å; A7-F11 PolarHBondContact O-N 3.07Å |
| 8 | F | 95.4 | Very high | 93.3 | Very high | 100 Ų | 100 | 113.8 Ų | 113.8 | 44% | 0.439 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.4 | -44.6 | 177.5 | -175.2 | -106.4 | 0 | 0 | 0 | 112.2 | L4 R5 Y6 F11 L12 | L4-F8 WeakPolarHBondContact O-CB 3.19Å; L4-F8 PolarHBondContact O-N 3.42Å; R5-F8 PolarHBondContact O-N 3.44Å; Y6-F8 PolarHBondContact O-N 3.27Å; F8-F11 PolarHBondContact O-N 3.12Å; F8-L12 HydrophobicContact CD1-CD1 3.89Å; F8-L12 HydrophobicContact CD1-CG 4.45Å; F8-L12 HydrophobicContact CE1-CD1 3.44Å; F8-L12 VanDerWaalsContact CE1-CD1 3.44Å; F8-L12 HydrophobicContact CE1-CG 4.15Å; F8-L12 HydrophobicContact CZ-CD1 3.91Å; F8-L12 HydrophobicContact CZ-CD2 4.4Å; F8-L12 HydrophobicContact CZ-CG 4.25Å; F8-L12 WeakPolarHBondContact O-CG 3.38Å; F8-L12 PolarHBondContact O-N 3.07Å |
| 9 | I | 95.6 | Very high | 93 | Very high | 91 Ų | 91 | 113.6 Ų | 113.6 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.7 | -43.8 | 175.5 | -66.6 | 164.9 | 0 | 0 | 0 | 110.6 | R5 Y6 F11 L12 L13 | R5-I9 WeakPolarHBondContact O-CD1 3.5Å; R5-I9 VanDerWaalsContact O-CG1 3.25Å; R5-I9 WeakPolarHBondContact O-CG1 3.34Å; R5-I9 PolarHBondContact O-N 3.18Å; Y6-I9 PolarHBondContact O-N 2.9Å; I9-F11 VanDerWaalsContact C-N 3.32Å; I9-F11 PolarHBondContact O-N 2.91Å; I9-L12 PolarHBondContact O-N 3.03Å; I9-L13 HydrophobicContact CG2-CD1 4.09Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3Å |
| 10 | A | 96.5 | Very high | 92.7 | Very high | 57 Ų | 57 | 112.8 Ų | 112.8 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y6 A7 L13 A14 | Y6-A10 VanDerWaalsContact O-CB 3.32Å; Y6-A10 WeakPolarHBondContact O-CB 3.22Å; Y6-A10 PolarHBondContact O-N 3.11Å; A7-A10 PolarHBondContact O-N 2.98Å; A10-L13 PolarHBondContact O-N 3.27Å; A10-A14 WeakPolarHBondContact O-CB 3.08Å; A10-A14 PolarHBondContact O-N 3.14Å |
| 11 | F | 96.5 | Very high | 92.1 | Very high | 122 Ų | 122 | 112.3 Ų | 112.3 | 54% | 0.535 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.1 | -44.5 | 175.1 | -179.6 | -99.1 | 0 | 0 | 0 | 112 | A7 F8 I9 L13 A14 L15 | A7-F11 WeakPolarHBondContact O-CB 3.48Å; A7-F11 PolarHBondContact O-N 3.07Å; F8-F11 PolarHBondContact O-N 3.12Å; I9-F11 VanDerWaalsContact C-N 3.32Å; I9-F11 PolarHBondContact O-N 2.91Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 3.31Å; F11-A14 PolarHBondContact O-N 3.08Å; F11-L15 HydrophobicContact CE1-CD1 4.07Å; F11-L15 HydrophobicContact CE2-CD1 4.39Å; F11-L15 HydrophobicContact CZ-CD1 3.75Å; F11-L15 WeakPolarHBondContact O-CB 3.32Å; F11-L15 PolarHBondContact O-N 3.01Å |
| 12 | L | 96.3 | Very high | 91.7 | Very high | 88 Ų | 88 | 106.1 Ų | 106.1 | 46% | 0.461 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.6 | -31.2 | 176.2 | -71.9 | 178.8 | 0 | 0 | 0 | 113.1 | F8 I9 P16 | F8-L12 HydrophobicContact CD1-CD1 3.89Å; F8-L12 HydrophobicContact CD1-CG 4.45Å; F8-L12 HydrophobicContact CE1-CD1 3.44Å; F8-L12 VanDerWaalsContact CE1-CD1 3.44Å; F8-L12 HydrophobicContact CE1-CG 4.15Å; F8-L12 HydrophobicContact CZ-CD1 3.91Å; F8-L12 HydrophobicContact CZ-CD2 4.4Å; F8-L12 HydrophobicContact CZ-CG 4.25Å; F8-L12 WeakPolarHBondContact O-CG 3.38Å; F8-L12 PolarHBondContact O-N 3.07Å; I9-L12 PolarHBondContact O-N 3.03Å; L12-P16 WeakPolarHBondContact O-CD 3Å |
| 13 | L | 95.8 | Very high | 90.7 | Very high | 118 Ų | 118 | 109.4 Ų | 109.4 | 62% | 0.618 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -77.9 | -33 | 174.8 | -69.4 | 172.8 | 0 | 0 | 0 | 112.5 | I9 A10 F11 | I9-L13 HydrophobicContact CG2-CD1 4.09Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3Å; A10-L13 PolarHBondContact O-N 3.27Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 3.31Å |
| 14 | A | 95.6 | Very high | 89.2 | Confident | 50 Ų | 50 | 103.9 Ų | 103.9 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -76.4 | -31.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A10 F11 L17 Y18 | A10-A14 WeakPolarHBondContact O-CB 3.08Å; A10-A14 PolarHBondContact O-N 3.14Å; F11-A14 PolarHBondContact O-N 3.08Å; A14-L17 PolarHBondContact O-N 3.14Å; A14-Y18 WeakPolarHBondContact O-CB 3.4Å; A14-Y18 PolarHBondContact O-N 3.39Å |
| 15 | L | 95.3 | Very high | 87.6 | Confident | 76 Ų | 76 | 107 Ų | 107 | 40% | 0.398 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59 | -47.8 | -175 | -162.8 | 87.9 | 0 | 0 | 0 | 113.1 | F11 L17 Y18 L19 | F11-L15 HydrophobicContact CE1-CD1 4.07Å; F11-L15 HydrophobicContact CE2-CD1 4.39Å; F11-L15 HydrophobicContact CZ-CD1 3.75Å; F11-L15 WeakPolarHBondContact O-CB 3.32Å; F11-L15 PolarHBondContact O-N 3.01Å; L15-L17 PolarHBondContact O-N 3.13Å; L15-Y18 PolarHBondContact O-N 3.05Å; L15-L19 HydrophobicContact CD2-CD1 4.46Å; L15-L19 HydrophobicContact CG-CD1 4.29Å; L15-L19 WeakPolarHBondContact O-CB 3.37Å; L15-L19 VanDerWaalsContact O-CG 3.28Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 3.31Å |
| 16 | P | 92.8 | Very high | 85.8 | Confident | 69 Ų | 69 | 106.1 Ų | 106.1 | 45% | 0.448 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.7 | -37.1 | 176.8 | -19.9 | 33.4 | 0 | 0 | 0 | 112.4 | L12 Y18 L19 C20 | L12-P16 WeakPolarHBondContact O-CD 3Å; P16-Y18 VanDerWaalsContact C-N 3.3Å; P16-Y18 PolarHBondContact O-N 3.4Å; P16-L19 PolarHBondContact O-N 3.29Å; P16-C20 WeakPolarHBondContact O-CB 3.47Å; P16-C20 PolarHBondContact O-N 3.3Å; P16-C20 PolarHBondContact O-SG 3.45Å |
| 17 | L | 91.5 | Very high | 84.1 | Confident | 122 Ų | 122 | 109 Ų | 109 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.1 | -39.3 | 176.8 | -68.6 | 173.1 | 0 | 0 | 0 | 111.4 | A14 L15 S21 | A14-L17 PolarHBondContact O-N 3.14Å; L15-L17 PolarHBondContact O-N 3.13Å; L17-S21 WeakPolarHBondContact O-CB 3.42Å; L17-S21 PolarHBondContact O-N 2.96Å; L17-S21 PolarHBondContact O-OG 3.31Å |
| 18 | Y | 91.7 | Very high | 82.4 | Confident | 170 Ų | 170 | 110 Ų | 110 | 67% | 0.667 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.2 | -45.3 | 175 | -173 | -99.1 | 0 | 0 | 0 | 111.3 | A14 L15 P16 S21 A22 | A14-Y18 WeakPolarHBondContact O-CB 3.4Å; A14-Y18 PolarHBondContact O-N 3.39Å; L15-Y18 PolarHBondContact O-N 3.05Å; P16-Y18 VanDerWaalsContact C-N 3.3Å; P16-Y18 PolarHBondContact O-N 3.4Å; Y18-S21 PolarHBondContact O-N 3.44Å; Y18-A22 WeakPolarHBondContact O-CB 3.38Å; Y18-A22 PolarHBondContact O-N 3.39Å |
| 19 | L | 88.9 | Confident | 80.6 | Confident | 110 Ų | 110 | 112.9 Ų | 112.9 | 58% | 0.576 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.1 | -38.5 | 177.6 | -69.1 | 172.4 | 0 | 0 | 0 | 112.8 | L15 P16 S21 A22 D23 | L15-L19 HydrophobicContact CD2-CD1 4.46Å; L15-L19 HydrophobicContact CG-CD1 4.29Å; L15-L19 WeakPolarHBondContact O-CB 3.37Å; L15-L19 VanDerWaalsContact O-CG 3.28Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 3.31Å; P16-L19 PolarHBondContact O-N 3.29Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-A22 PolarHBondContact O-N 3.14Å; L19-D23 PolarHBondContact O-N 2.66Å |
| 20 | C | 87.1 | Confident | 78.9 | Confident | 98 Ų | 98 | 116.1 Ų | 116.1 | 66% | 0.662 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.3 | -32.9 | 174.2 | -71.2 | 0 | 0 | 0 | 0 | 112.3 | P16 A22 | P16-C20 WeakPolarHBondContact O-CB 3.47Å; P16-C20 PolarHBondContact O-N 3.3Å; P16-C20 PolarHBondContact O-SG 3.45Å; C20-A22 VanDerWaalsContact C-N 3.33Å |
| 21 | S | 79.9 | Confident | 77.3 | Confident | 103 Ų | 103 | 118.4 Ų | 118.4 | 72% | 0.72 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.6 | -20.6 | 176 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | L17 Y18 L19 D23 | L17-S21 WeakPolarHBondContact O-CB 3.42Å; L17-S21 PolarHBondContact O-N 2.96Å; L17-S21 PolarHBondContact O-OG 3.31Å; Y18-S21 PolarHBondContact O-N 3.44Å; L19-S21 VanDerWaalsContact C-N 3.32Å; S21-D23 VanDerWaalsContact C-N 3.25Å |
| 22 | A | 69.6 | Low | 75.6 | Confident | 58 Ų | 58 | 120.6 Ų | 120.6 | 48% | 0.479 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -3.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y18 L19 C20 P24 | Y18-A22 WeakPolarHBondContact O-CB 3.38Å; Y18-A22 PolarHBondContact O-N 3.39Å; L19-A22 PolarHBondContact O-N 3.14Å; C20-A22 VanDerWaalsContact C-N 3.33Å; A22-P24 WeakPolarHBondContact O-CD 3.37Å |
| 23 | D | 68.9 | Low | 73.9 | Confident | 132 Ų | 132 | 124.1 Ų | 124.1 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -63.1 | 107.9 | 168.1 | -148 | -4.2 | 0 | 0 | 0 | 106.7 | L19 S21 Q25 | L19-D23 PolarHBondContact O-N 2.66Å; S21-D23 VanDerWaalsContact C-N 3.25Å; D23-Q25 PolarHBondContact O-N 2.66Å |
| 24 | P | 58.3 | Low | 72 | Confident | 76 Ų | 76 | 121.6 Ų | 121.6 | 49% | 0.494 | 66% | 0.658 | S | S | . | * | | | trans | -66.5 | 144.2 | -159.6 | 25 | -32.5 | 0 | 0 | 0 | 108.8 | A22 Q26 | A22-P24 WeakPolarHBondContact O-CD 3.37Å; P24-Q26 HydrophobicContact CB-CB 4.04Å; P24-Q26 HydrophobicContact CB-CG 4.06Å; P24-Q26 HydrophobicContact CG-CB 4.11Å; P24-Q26 HydrophobicContact CG-CG 4.48Å; P24-Q26 PolarHBondContact O-N 3.45Å |
| 25 | Q | 60.7 | Low | 70.3 | Confident | 191 Ų | 191 | 126.6 Ų | 126.6 | 89% | 0.893 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -52.3 | 17.6 | 159.6 | -74.8 | -172.1 | -74.2 | 0 | 0 | 114.3 | D23 R27 | D23-Q25 PolarHBondContact O-N 2.66Å; Q25-R27 VanDerWaalsContact C-N 3.34Å; Q25-R27 PolarHBondContact O-N 3.5Å |
| 26 | Q | 56.9 | Low | 68.7 | Low | 165 Ų | 165 | 128.5 Ų | 128.5 | 77% | 0.771 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -79.8 | -5.3 | -178.1 | -84.3 | -154 | -25.2 | 0 | 0 | 115.1 | P24 S28 | P24-Q26 HydrophobicContact CB-CB 4.04Å; P24-Q26 HydrophobicContact CB-CG 4.06Å; P24-Q26 HydrophobicContact CG-CB 4.11Å; P24-Q26 HydrophobicContact CG-CG 4.48Å; P24-Q26 PolarHBondContact O-N 3.45Å; Q26-S28 VanDerWaalsContact C-N 3.33Å; Q26-S28 PolarHBondContact O-N 3.34Å |
| 27 | R | 57.8 | Low | 67 | Low | 233 Ų | 233 | 128.3 Ų | 128.3 | 88% | 0.879 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -86 | 7.6 | -179.5 | -119.5 | 179.1 | -175 | 173.1 | 2.1 | 116 | Q25 | Q25-R27 VanDerWaalsContact C-N 3.34Å; Q25-R27 PolarHBondContact O-N 3.5Å |
| 28 | S | 58.6 | Low | 65.5 | Low | 81 Ų | 81 | 128.9 Ų | 128.9 | 57% | 0.566 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -109.9 | 10.6 | -175.6 | 63.3 | 0 | 0 | 0 | 0 | 116.6 | Q26 | Q26-S28 VanDerWaalsContact C-N 3.33Å; Q26-S28 PolarHBondContact O-N 3.34Å |
| 29 | H | 58.6 | Low | 63.8 | Low | 160 Ų | 160 | 131.7 Ų | 131.7 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -114.4 | 1.1 | 174.5 | -80.3 | -69.2 | 0 | 0 | 0 | 115.6 | S31 | H29-S31 VanDerWaalsContact C-N 3.31Å; H29-S31 PolarHBondContact O-N 3.34Å |
| 30 | E | 60.4 | Low | 62.3 | Low | 159 Ų | 159 | 132.1 Ų | 132.1 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -81.1 | -0.6 | 178.4 | -98.1 | 178.2 | 136.5 | 0 | 0 | 115.1 | H32 | E30-H32 VanDerWaalsContact C-N 3.33Å; E30-H32 PolarHBondContact O-N 3.47Å |
| 31 | S | 61.7 | Low | 60.8 | Low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -86.9 | 7.9 | 178.5 | 58.9 | 0 | 0 | 0 | 0 | 115 | H29 | H29-S31 VanDerWaalsContact C-N 3.31Å; H29-S31 PolarHBondContact O-N 3.34Å |
| 32 | H | 60.8 | Low | 59.6 | Low | 168 Ų | 168 | 140.3 Ų | 140.3 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -108.6 | 1.3 | -177.6 | -103.2 | -61.9 | 0 | 0 | 0 | 116.2 | E30 G34 | E30-H32 VanDerWaalsContact C-N 3.33Å; E30-H32 PolarHBondContact O-N 3.47Å; H32-G34 VanDerWaalsContact C-N 3.34Å; H32-G34 PolarHBondContact O-N 3.31Å |
| 33 | L | 61.5 | Low | 59 | Low | 163 Ų | 163 | 141.9 Ų | 141.9 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -87.4 | 78.3 | 160.7 | -67.4 | 167.9 | 0 | 0 | 0 | 106.7 | | |
| 34 | G | 55.8 | Low | 58.5 | Low | 64 Ų | 64 | 142.5 Ų | 142.5 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | | | | 73.7 | 57.3 | 79.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | H32 P36 | H32-G34 VanDerWaalsContact C-N 3.34Å; H32-G34 PolarHBondContact O-N 3.31Å; G34-P36 VanDerWaalsContact O-CD 3.22Å; G34-P36 WeakPolarHBondContact O-CD 3.49Å |
| 35 | I | 60.2 | Low | 58.1 | Low | 155 Ų | 155 | 149.7 Ų | 149.7 | 80% | 0.795 | 78% | 0.782 | S | S | * | * | | | trans | -61 | 112.9 | 156.4 | -61.7 | 172.8 | 0 | 0 | 0 | 104.7 | G37 | I35-G37 PolarHBondContact O-N 3.41Å; I35-G37 VanDerWaalsContact O-N 3.14Å |
| 36 | P | 61.4 | Low | 57.9 | Low | 116 Ų | 116 | 148 Ų | 148 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -62 | 122.8 | 173.4 | 25.9 | -30.1 | 0 | 0 | 0 | 106.5 | G34 T38 | G34-P36 VanDerWaalsContact O-CD 3.22Å; G34-P36 WeakPolarHBondContact O-CD 3.49Å; P36-T38 PolarHBondContact O-N 3.29Å; P36-T38 VanDerWaalsContact O-N 3.12Å |
| 37 | G | 55.9 | Low | 57.7 | Low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | trans | -45.1 | 121.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I35 R39 | I35-G37 PolarHBondContact O-N 3.41Å; I35-G37 VanDerWaalsContact O-N 3.14Å; G37-R39 VanDerWaalsContact C-N 3.29Å; G37-R39 PolarHBondContact O-N 3.26Å |
| 38 | T | 60.8 | Low | 57.4 | Low | 134 Ų | 134 | 137.1 Ų | 137.1 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | trans | -53.8 | 104.2 | 153.2 | 46.9 | 0 | 0 | 0 | 0 | 105.8 | P36 | P36-T38 PolarHBondContact O-N 3.29Å; P36-T38 VanDerWaalsContact O-N 3.12Å |
| 39 | R | 56 | Low | 57.2 | Low | 229 Ų | 229 | 142.2 Ų | 142.2 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -42.9 | 125.3 | 172.4 | -80.6 | 178.7 | 166 | 169 | -6.2 | 108.4 | G37 H41 | G37-R39 VanDerWaalsContact C-N 3.29Å; G37-R39 PolarHBondContact O-N 3.26Å; R39-H41 PolarHBondContact O-N 2.91Å |
| 40 | P | 57.5 | Low | 56.7 | Low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -63.5 | 129.6 | 163 | 28.2 | -28.9 | 0 | 0 | 0 | 106.2 | E42 | P40-E42 PolarHBondContact O-N 3.4Å; P40-E42 VanDerWaalsContact O-N 3.08Å |
| 41 | H | 55.9 | Low | 56.2 | Low | 188 Ų | 188 | 142.3 Ų | 142.3 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | | | trans | -37.8 | 116 | 172.8 | -81.3 | -100.4 | 0 | 0 | 0 | 110.6 | R39 A43 | R39-H41 PolarHBondContact O-N 2.91Å; H41-A43 PolarHBondContact O-N 3.48Å; H41-A43 VanDerWaalsContact O-N 3.07Å |
| 42 | E | 54.2 | Low | 55.6 | Low | 185 Ų | 185 | 146.8 Ų | 146.8 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -55.9 | 116.4 | 161 | -77.5 | -177.8 | 159.9 | 0 | 0 | 106.7 | P40 I44 | P40-E42 PolarHBondContact O-N 3.4Å; P40-E42 VanDerWaalsContact O-N 3.08Å; E42-I44 PolarHBondContact O-N 2.95Å |
| 43 | A | 56.6 | Low | 55.3 | Low | 90 Ų | 90 | 147.1 Ų | 147.1 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -56.4 | 110 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | H41 Y45 | H41-A43 PolarHBondContact O-N 3.48Å; H41-A43 VanDerWaalsContact O-N 3.07Å; A43-Y45 PolarHBondContact O-N 3.06Å |
| 44 | I | 59.6 | Low | 55 | Low | 145 Ų | 145 | 146.5 Ų | 146.5 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | trans | -58.8 | 105.6 | 165.6 | -63.5 | 171.2 | 0 | 0 | 0 | 106.1 | E42 L46 | E42-I44 PolarHBondContact O-N 2.95Å; I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 HydrophobicContact CG2-CD1 4.05Å; I44-L46 HydrophobicContact CG2-CG 4.33Å; I44-L46 PolarHBondContact O-N 2.93Å |
| 45 | Y | 50.1 | Low | 54.9 | Low | 227 Ų | 227 | 150.8 Ų | 150.8 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | trans | -69 | 92.5 | 169.6 | -136.3 | -95.3 | 0 | 0 | 0 | 107 | A43 G47 | A43-Y45 PolarHBondContact O-N 3.06Å; Y45-G47 PolarHBondContact O-N 3.2Å; Y45-G47 VanDerWaalsContact O-N 3.11Å |
| 46 | L | 55 | Low | 54.3 | Low | 155 Ų | 155 | 147.2 Ų | 147.2 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | trans | -70.8 | 98.6 | 167.5 | -83.2 | 110.5 | 0 | 0 | 0 | 108.2 | I44 | I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 HydrophobicContact CG2-CD1 4.05Å; I44-L46 HydrophobicContact CG2-CG 4.33Å; I44-L46 PolarHBondContact O-N 2.93Å |
| 47 | G | 53.1 | Low | 53.7 | Low | 51 Ų | 51 | 146.3 Ų | 146.3 | 53% | 0.526 | 78% | 0.784 | S | S | . | * | | | trans | -69.9 | 148.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y45 H49 | Y45-G47 PolarHBondContact O-N 3.2Å; Y45-G47 VanDerWaalsContact O-N 3.11Å; G47-H49 PolarHBondContact O-N 3.33Å |
| 48 | P | 52.4 | Low | 53.8 | Low | 120 Ų | 120 | 152.7 Ų | 152.7 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -80.2 | 110.9 | 179.8 | 32.5 | -28.2 | 0 | 0 | 0 | 108.2 | | |
| 49 | H | 54.6 | Low | 53.1 | Low | 187 Ų | 187 | 149.6 Ų | 149.6 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | | | trans | -129.8 | 99.7 | 162.1 | -95.9 | -74.5 | 0 | 0 | 0 | 109.1 | G47 H51 | G47-H49 PolarHBondContact O-N 3.33Å; H49-H51 PolarHBondContact O-N 3.49Å |
| 50 | D | 46.5 | Very low | 53.1 | Low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | -49.1 | 123 | 156.4 | -60.9 | -60.3 | 0 | 0 | 0 | 109.8 | | |
| 51 | H | 51.6 | Low | 52.9 | Low | 182 Ų | 182 | 145.7 Ų | 145.7 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | | -175.4 | 134.7 | 127.2 | -102.2 | 40.1 | 0 | 0 | 0 | 112.2 | H49 | H49-H51 PolarHBondContact O-N 3.49Š|
| 52 | Y | 48.9 | Very low | 52.7 | Low | 198 Ų | 198 | 148.6 Ų | 148.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -58 | 147 | 179.7 | -67 | -103.5 | 0 | 0 | 0 | 112.8 | | |
| 53 | H | 53.8 | Low | 52.6 | Low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | | | | 179.2 | 106.9 | 122.7 | -98 | -76.3 | 0 | 0 | 0 | 112.1 | | |
| 54 | M | 54.5 | Low | 52.2 | Low | 149 Ų | 149 | 144.3 Ų | 144.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | | 52.7 | 113.2 | 127.4 | -60.4 | -91 | -102.1 | 0 | 0 | 121.1 | | |
| 55 | L | 53.4 | Low | 51.8 | Low | 155 Ų | 155 | 148.9 Ų | 148.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | | 61.2 | 117.9 | 127.2 | -70.2 | 158.3 | 0 | 0 | 0 | 120.1 | | |
| 56 | G | 48.5 | Very low | 51.9 | Low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -177.9 | 87.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 57 | S | 49.9 | Very low | 51.5 | Low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -72.7 | 175.7 | 175.2 | -42.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 58 | H | 57 | Low | 51.5 | Low | 199 Ų | 199 | 142.9 Ų | 142.9 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | 99.9 | 121.7 | 175.1 | -50.4 | -62.9 | 0 | 0 | 0 | 113.9 | | |
| 59 | G | 45.4 | Very low | 51.6 | Low | 70 Ų | 70 | 145.2 Ų | 145.2 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | cis | 177.3 | 158.7 | 1.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 60 | P | 56.1 | Low | 51.2 | Low | 137 Ų | 137 | 139.2 Ų | 139.2 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -96.6 | 139.6 | 177.8 | 35 | -27.4 | 0 | 0 | 0 | 111 | | |
| 61 | S | 54.8 | Low | 51.4 | Low | 128 Ų | 128 | 141.7 Ų | 141.7 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -128.3 | 118.6 | 171.5 | -156.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 62 | R | 50.9 | Low | 51.5 | Low | 250 Ų | 250 | 138 Ų | 138 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | | | trans | -92.5 | 137.8 | 171.3 | -86.8 | 175.6 | 158.6 | -179.4 | -4.6 | 109.2 | | |
| 63 | G | 51.8 | Low | 51.7 | Low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | trans | -147 | 114.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 64 | S | 48.6 | Very low | 51.6 | Low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | | 61.8 | 135.3 | 78.3 | -71 | 0 | 0 | 0 | 0 | 112.2 | | |
| 65 | R | 50.4 | Low | 51.3 | Low | 240 Ų | 240 | 133.4 Ų | 133.4 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | cis | 176.4 | 161.2 | -14.5 | -133.9 | -179.3 | 179.4 | -166.5 | 0.1 | 104.1 | | |
| 66 | S | 52 | Low | 51.2 | Low | 125 Ų | 125 | 131 Ų | 131 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | 85.8 | 137 | 161.5 | -143.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 67 | G | 46.4 | Very low | 51.2 | Low | 54 Ų | 54 | 138.5 Ų | 138.5 | 56% | 0.557 | 79% | 0.791 | S | S | * | * | | | cis | -157.8 | 152.7 | 10.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 68 | T | 54.1 | Low | 51.1 | Low | 129 Ų | 129 | 139.1 Ų | 139.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | | 71.5 | 134 | 104.9 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 69 | L | 53.3 | Low | 50.6 | Low | 169 Ų | 169 | 132.8 Ų | 132.8 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | | | cis | -176.9 | 147.4 | -3.9 | -128.4 | 152.3 | 0 | 0 | 0 | 104.6 | | |
| 70 | G | 46.3 | Very low | 50.7 | Low | 61 Ų | 61 | 138.6 Ų | 138.6 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | | | trans | 104.7 | 98.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 71 | H | 51.9 | Low | 50.1 | Low | 191 Ų | 191 | 143.3 Ų | 143.3 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | | | | 173.6 | 128.9 | 95.7 | -108.9 | -79.3 | 0 | 0 | 0 | 109.9 | | |
| 72 | P | 54 | Low | 49.7 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | | | trans | -98 | -177.1 | 171.7 | 37.1 | -28.5 | 0 | 0 | 0 | 111.4 | | |
| 73 | Q | 52 | Low | 49.8 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | | | trans | 102.4 | 98.9 | 171.2 | -51.4 | -66 | 40.4 | 0 | 0 | 113.7 | | |
| 74 | L | 51.2 | Low | 49.3 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | | 100.3 | 109.4 | 83.7 | -88.2 | 167.3 | 0 | 0 | 0 | 109.5 | | |
| 75 | T | 49.7 | Very low | 49.4 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | | | | -174.8 | 116.5 | 119.3 | 24.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 76 | T | 51.7 | Low | 49.1 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | | | trans | -64.3 | 134.9 | 175 | -58.8 | 0 | 0 | 0 | 0 | 113 | P78 | T76-P78 VanDerWaalsContact CG2-CD 3.46Å; T76-P78 HydrophobicContact CG2-CG 4.44Å |
| 77 | Y | 48.2 | Very low | 49.4 | Very low | 236 Ų | 236 | 138 Ų | 138 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | | | trans | -150 | 109.5 | 142.3 | -84.4 | -77.2 | 0 | 0 | 0 | 109.9 | | |
| 78 | P | 46.7 | Very low | 49.6 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | trans | -108.5 | 136.9 | 152.6 | 35 | -25.9 | 0 | 0 | 0 | 108.6 | T76 | T76-P78 VanDerWaalsContact CG2-CD 3.46Å; T76-P78 HydrophobicContact CG2-CG 4.44Å |
| 79 | G | 46.4 | Very low | 49.3 | Very low | 65 Ų | 65 | 152 Ų | 152 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | | | trans | 177.5 | 105.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 80 | H | 47.8 | Very low | 49.7 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | | | trans | 85.8 | 86.4 | 140.9 | -61.7 | -77.2 | 0 | 0 | 0 | 120.1 | | |
| 81 | R | 44.8 | Very low | 49.8 | Very low | 236 Ų | 236 | 151.7 Ų | 151.7 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | | | trans | -19.3 | 147.3 | 130.1 | -115.8 | 174.9 | -176.9 | -179.3 | -0.1 | 116.6 | | |
| 82 | S | 46.3 | Very low | 49.6 | Very low | 92 Ų | 92 | 148.4 Ų | 148.4 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | | | trans | 108.4 | 141.3 | 133.4 | 60.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 83 | H | 53.3 | Low | 49.4 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | 88.6 | 94.1 | 170.3 | -55.4 | -72.7 | 0 | 0 | 0 | 115.7 | | |
| 84 | E | 39.5 | Very low | 49.4 | Very low | 178 Ų | 178 | 152.4 Ų | 152.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | | 56.1 | 98.5 | 64.3 | -152.6 | -179.6 | -169.5 | 0 | 0 | 112.3 | | |
| 85 | S | 51.8 | Low | 49.3 | Very low | 115 Ų | 115 | 154.4 Ų | 154.4 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -156.5 | 102.1 | 159.7 | -73.4 | 0 | 0 | 0 | 0 | 108.8 | L87 | S85-L87 PolarHBondContact O-N 2.93Š|
| 86 | A | 44.8 | Very low | 49.4 | Very low | 96 Ų | 96 | 157.6 Ų | 157.6 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | -57 | 114.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 87 | L | 56.9 | Low | 49.2 | Very low | 172 Ų | 172 | 164.1 Ų | 164.1 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | | | trans | -109 | 99.6 | 162.1 | -79.5 | 169.4 | 0 | 0 | 0 | 109.4 | S85 R89 | S85-L87 PolarHBondContact O-N 2.93Å; L87-R89 PolarHBondContact O-N 2.86Å |
| 88 | R | 50.7 | Low | 49.3 | Very low | 236 Ų | 236 | 160.8 Ų | 160.8 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | | | trans | -43.2 | 123.6 | 173.4 | -71.8 | 168 | 143.9 | -149.7 | -4.4 | 111.8 | | |
| 89 | R | 48.5 | Very low | 49.7 | Very low | 241 Ų | 241 | 159.8 Ų | 159.8 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | | | trans | -57.8 | 125.8 | 161.6 | -72.5 | 175.5 | 160.3 | 176.5 | -6.3 | 109.6 | L87 S91 | L87-R89 PolarHBondContact O-N 2.86Å; R89-S91 PolarHBondContact O-N 3.23Å |
| 90 | P | 60.6 | Low | 50.2 | Low | 125 Ų | 125 | 162.5 Ų | 162.5 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | | | trans | -72.9 | 123.3 | 166.1 | 28.1 | -28.8 | 0 | 0 | 0 | 109 | S92 | P90-S92 PolarHBondContact O-N 2.81Š|
| 91 | S | 48.6 | Very low | 50.7 | Low | 99 Ų | 99 | 160 Ų | 160 | 69% | 0.692 | 83% | 0.829 | S | S | * | * | | | trans | -60.2 | 111.9 | 173 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | R89 K93 | R89-S91 PolarHBondContact O-N 3.23Å; S91-K93 PolarHBondContact O-N 3.32Å |
| 92 | S | 48.2 | Very low | 51 | Low | 122 Ų | 122 | 153.8 Ų | 153.8 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | -75 | 73.1 | 170.7 | 58 | 0 | 0 | 0 | 0 | 110 | P90 | P90-S92 PolarHBondContact O-N 2.81Š|
| 93 | K | 50.3 | Low | 51.6 | Low | 174 Ų | 174 | 155.2 Ų | 155.2 | 76% | 0.757 | 83% | 0.829 | S | S | * | * | | | trans | -137.7 | 67.6 | 170.5 | -71.3 | -171.1 | -179.8 | -180 | 0 | 109.3 | S91 | S91-K93 PolarHBondContact O-N 3.32Š|
| 94 | L | 52.2 | Low | 51.5 | Low | 170 Ų | 170 | 153.1 Ų | 153.1 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | | | trans | -176 | 84.2 | 168.7 | -103.9 | 154.3 | 0 | 0 | 0 | 109.2 | | |
| 95 | L | 49.7 | Very low | 51.7 | Low | 172 Ų | 172 | 153 Ų | 153 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | | | trans | -179.9 | 67.6 | 158.7 | -98.2 | 143.3 | 0 | 0 | 0 | 109.5 | | |
| 96 | K | 50.6 | Low | 51.9 | Low | 209 Ų | 209 | 153.1 Ų | 153.1 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | | | trans | -129.9 | 73.3 | 162.5 | -89.7 | -174.5 | 177.1 | 179.9 | 0 | 107.6 | | |
| 97 | R | 47.1 | Very low | 52 | Low | 241 Ų | 241 | 155.7 Ų | 155.7 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | | | trans | -169.7 | 63.5 | 169.8 | -120.6 | 176 | 165.2 | -154.8 | -4.7 | 112.4 | | |
| 98 | L | 51.1 | Low | 52 | Low | 166 Ų | 166 | 155.2 Ų | 155.2 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | | | trans | -137.6 | 92.4 | 155.9 | -72.3 | 177.1 | 0 | 0 | 0 | 107.1 | | |
| 99 | A | 55.5 | Low | 51.7 | Low | 90 Ų | 90 | 150 Ų | 150 | 74% | 0.744 | 83% | 0.826 | S | S | * | * | | | trans | -74.3 | 140.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109 | V101 | A99-V101 PolarHBondContact O-N 3.46Š|
| 100 | P | 56.6 | Low | 51.7 | Low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | | | trans | -71.5 | 125.5 | 168.7 | 28.3 | -29.4 | 0 | 0 | 0 | 109.4 | S102 | P100-S102 PolarHBondContact O-N 2.78Š|
| 101 | V | 58.6 | Low | 51.2 | Low | 141 Ų | 141 | 140.8 Ų | 140.8 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | trans | -67.2 | 114.6 | 169.9 | 173.6 | 0 | 0 | 0 | 0 | 108.1 | A99 | A99-V101 PolarHBondContact O-N 3.46Š|
| 102 | S | 50.8 | Low | 51.1 | Low | 105 Ų | 105 | 144.1 Ų | 144.1 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64 | 136.2 | 172.4 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | P100 | P100-S102 PolarHBondContact O-N 2.78Š|
| 103 | P | 58.6 | Low | 51.4 | Low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 134.3 | 168.9 | 29.5 | -29.5 | 0 | 0 | 0 | 110.2 | | |
| 104 | S | 49.9 | Very low | 51.8 | Low | 119 Ų | 119 | 146.5 Ų | 146.5 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 137 | -175.2 | -153.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 105 | H | 44.2 | Very low | 51.6 | Low | 174 Ų | 174 | 144.5 Ų | 144.5 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 128.8 | 169.8 | -79.4 | -117 | 0 | 0 | 0 | 110.5 | | |
| 106 | S | 56.9 | Low | 51.7 | Low | 118 Ų | 118 | 146.9 Ų | 146.9 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -110.1 | 119.3 | 158.5 | 49.8 | 0 | 0 | 0 | 0 | 109 | | |
| 107 | N | 45.9 | Very low | 51.7 | Low | 151 Ų | 151 | 147.2 Ų | 147.2 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | | | trans | -78.5 | 120.3 | 174.6 | -73.2 | -40 | 0 | 0 | 0 | 109.5 | | |
| 108 | I | 57.2 | Low | 52 | Low | 162 Ų | 162 | 144.3 Ų | 144.3 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -140.9 | 127.2 | 154.3 | -57.3 | -175.9 | 0 | 0 | 0 | 108.7 | | |
| 109 | P | 45.7 | Very low | 51.7 | Low | 125 Ų | 125 | 147.2 Ų | 147.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -97.8 | 143.7 | -170.3 | 36.1 | -31.6 | 0 | 0 | 0 | 114.8 | | |
| 110 | G | 47 | Very low | 51.7 | Low | 71 Ų | 71 | 148.5 Ų | 148.5 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | | | trans | 93.7 | 169.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 111 | P | 50 | Low | 51.3 | Low | 102 Ų | 102 | 148.5 Ų | 148.5 | 66% | 0.662 | 81% | 0.811 | S | S | * | * | | | cis | -141.3 | 169.1 | -47.9 | 44.2 | -30.7 | 0 | 0 | 0 | 114.4 | | |
| 112 | H | 46.5 | Very low | 50.7 | Low | 169 Ų | 169 | 144.8 Ų | 144.8 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | | | trans | 57.6 | 110.2 | 155 | -46.1 | -53.2 | 0 | 0 | 0 | 120.4 | | |
| 113 | T | 55.2 | Low | 50.6 | Low | 142 Ų | 142 | 147.8 Ų | 147.8 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | | | | -163.9 | 108.6 | 128.7 | 30.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 114 | K | 58.9 | Low | 49.9 | Very low | 204 Ų | 204 | 146.8 Ų | 146.8 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | 15.3 | 140.8 | 155.7 | -60 | 178 | -178.4 | 178.5 | 0 | 122.2 | | |
| 115 | P | 46.9 | Very low | 50.1 | Low | 129 Ų | 129 | 149.1 Ų | 149.1 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -90.4 | 138.9 | 174.3 | 36.3 | -30.2 | 0 | 0 | 0 | 112 | | |
| 116 | R | 53.2 | Low | 50.2 | Low | 222 Ų | 222 | 147.4 Ų | 147.4 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | -117.1 | 100.6 | 168.9 | -168.7 | 172.3 | 170.6 | -163.9 | -0.8 | 110.4 | | |
| 117 | R | 49.3 | Very low | 50.3 | Low | 216 Ų | 216 | 146.1 Ų | 146.1 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | | | trans | -50.7 | 131.5 | 162 | -79.3 | 172.9 | 154.2 | -177.2 | -4.9 | 110.4 | | |
| 118 | K | 53.5 | Low | 50.6 | Low | 180 Ų | 180 | 146.4 Ų | 146.4 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | -140.9 | 109.1 | 137 | -83.5 | -161.4 | 175.7 | -175.3 | 0 | 109.5 | | |
| 119 | R | 45.2 | Very low | 50.4 | Low | 226 Ų | 226 | 149 Ų | 149 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -70.5 | 135.1 | 159.4 | -71.5 | 175.2 | 158.8 | -170.6 | -7.4 | 107.5 | | |
| 120 | S | 55.6 | Low | 50.9 | Low | 117 Ų | 117 | 155 Ų | 155 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -143.3 | 101.7 | 152.2 | 54.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 121 | S | 47.7 | Very low | 51.8 | Low | 124 Ų | 124 | 159.2 Ų | 159.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -60.3 | 140.7 | 157.9 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 122 | G | 46.2 | Very low | 53.1 | Low | 62 Ų | 62 | 159.6 Ų | 159.6 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | | | trans | -175.2 | 100.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 123 | H | 49.1 | Very low | 54.6 | Low | 169 Ų | 169 | 157 Ų | 157 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | | | trans | 54 | 101.2 | 136.2 | -71.5 | 69.9 | 0 | 0 | 0 | 117 | | |
| 124 | S | 43.2 | Very low | 55.5 | Low | 101 Ų | 101 | 155.8 Ų | 155.8 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | | 33.9 | 101.4 | 76.6 | -170.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 125 | H | 55.2 | Low | 56 | Low | 167 Ų | 167 | 151.5 Ų | 151.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -159 | 108.6 | 132.1 | -86.5 | -57.1 | 0 | 0 | 0 | 110.3 | S127 | H125-S127 PolarHBondContact O-N 3.03Š|
| 126 | N | 46.1 | Very low | 56.3 | Low | 138 Ų | 138 | 153.6 Ų | 153.6 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | trans | -42 | 122.9 | 154.2 | 179 | 6.4 | 0 | 0 | 0 | 110.9 | N128 | N126-N128 PolarHBondContact OD1-N 2.74Š|
| 127 | S | 58.8 | Low | 56.2 | Low | 92 Ų | 92 | 148.3 Ų | 148.3 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | trans | -133.4 | 99.9 | 156.1 | 56.2 | 0 | 0 | 0 | 0 | 108.9 | H125 R129 | H125-S127 PolarHBondContact O-N 3.03Å; S127-R129 PolarHBondContact O-N 2.82Å |
| 128 | N | 53.2 | Low | 56.5 | Low | 157 Ų | 157 | 149 Ų | 149 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -51.2 | 89 | 152.7 | -88.4 | -27.1 | 0 | 0 | 0 | 108.9 | N126 | N126-N128 PolarHBondContact OD1-N 2.74Š|
| 129 | R | 51.4 | Low | 56.4 | Low | 215 Ų | 215 | 150.1 Ų | 150.1 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | -104.7 | 102.3 | 159.5 | -76.8 | -170.9 | 174.2 | -170.8 | -0.5 | 107.3 | S127 L131 | S127-R129 PolarHBondContact O-N 2.82Å; R129-L131 PolarHBondContact O-N 2.98Å |
| 130 | R | 57.5 | Low | 56.7 | Low | 251 Ų | 251 | 150.7 Ų | 150.7 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | | | trans | -40.9 | 113.6 | 157.8 | -90.2 | 177.3 | 165.3 | -132.5 | -1.1 | 108.1 | | |
| 131 | L | 65.9 | Low | 56.9 | Low | 160 Ų | 160 | 150.8 Ų | 150.8 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 137.9 | 166.5 | -70.2 | 166 | 0 | 0 | 0 | 108 | R129 | R129-L131 PolarHBondContact O-N 2.98Š|
| 132 | P | 76.3 | Confident | 57 | Low | 110 Ų | 110 | 147.7 Ų | 147.7 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 151.1 | 170.3 | 27.6 | -32.8 | 0 | 0 | 0 | 110.2 | | |
| 133 | P | 77.9 | Confident | 57.8 | Low | 114 Ų | 114 | 150.8 Ų | 150.8 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61 | 148.2 | 175 | 26.5 | -33.5 | 0 | 0 | 0 | 110.7 | | |
| 134 | P | 74.1 | Confident | 57.8 | Low | 118 Ų | 118 | 148 Ų | 148 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 144.9 | 178.9 | 26.7 | -33.4 | 0 | 0 | 0 | 110.9 | N136 | P134-N136 PolarHBondContact O-N 2.96Š|
| 135 | P | 70.8 | Confident | 58.2 | Low | 113 Ų | 113 | 151 Ų | 151 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 132.4 | 175.3 | 26.9 | -32.3 | 0 | 0 | 0 | 110.4 | S137 | P135-S137 PolarHBondContact O-N 2.98Š|
| 136 | N | 52.1 | Low | 57.7 | Low | 174 Ų | 174 | 148.5 Ų | 148.5 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | | | trans | -58 | 94.1 | 165.5 | -106.1 | -16.1 | 0 | 0 | 0 | 109.4 | P134 | P134-N136 PolarHBondContact O-N 2.96Š|
| 137 | S | 51.3 | Low | 58 | Low | 110 Ų | 110 | 147.7 Ų | 147.7 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -100.5 | 103.5 | 172.3 | 49.6 | 0 | 0 | 0 | 0 | 110.1 | P135 | P135-S137 PolarHBondContact O-N 2.98Š|
| 138 | R | 55.1 | Low | 57.4 | Low | 232 Ų | 232 | 152.2 Ų | 152.2 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | | | trans | -39 | 143.1 | 165.2 | -67.5 | 169.4 | 175.4 | 174 | -3 | 112.3 | R140 | R138-R140 PolarHBondContact O-N 3.43Å; R138-R140 VanDerWaalsContact O-N 3.07Å |
| 139 | H | 52 | Low | 57.3 | Low | 202 Ų | 202 | 152.4 Ų | 152.4 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | | | trans | -23.5 | 106.1 | 161.2 | -72.2 | -79.6 | 0 | 0 | 0 | 113.4 | | |
| 140 | R | 51.8 | Low | 56.9 | Low | 238 Ų | 238 | 145.3 Ų | 145.3 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | | | trans | -115.9 | 102.3 | 156.8 | -119.8 | -179.3 | -172.4 | -125.2 | 2.2 | 107.2 | R138 G142 | R138-R140 PolarHBondContact O-N 3.43Å; R138-R140 VanDerWaalsContact O-N 3.07Å; R140-G142 PolarHBondContact O-N 2.95Å |
| 141 | S | 59.4 | Low | 56.2 | Low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -48 | 105.9 | 158.1 | 40.4 | 0 | 0 | 0 | 0 | 109 | | |
| 142 | G | 50.3 | Low | 55.5 | Low | 60 Ų | 60 | 142.1 Ų | 142.1 | 62% | 0.619 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 145.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R140 | R140-G142 PolarHBondContact O-N 2.95Š|
| 143 | P | 62.4 | Low | 54.6 | Low | 126 Ų | 126 | 148.1 Ų | 148.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 134.6 | 178.7 | 27.9 | -33 | 0 | 0 | 0 | 110.7 | I145 | P143-I145 PolarHBondContact O-N 3.39Š|
| 144 | S | 50.1 | Low | 53.9 | Low | 112 Ų | 112 | 148.1 Ų | 148.1 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 116.8 | 171.5 | -43.9 | 0 | 0 | 0 | 0 | 109.3 | S146 | S144-S146 PolarHBondContact O-N 3.49Š|
| 145 | I | 49.7 | Very low | 53.1 | Low | 164 Ų | 164 | 148.5 Ų | 148.5 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | | | trans | -79.7 | 101 | 169.1 | 8.5 | 172.9 | 0 | 0 | 0 | 107.8 | P143 | P143-I145 PolarHBondContact O-N 3.39Š|
| 146 | S | 46.8 | Very low | 52 | Low | 114 Ų | 114 | 148.1 Ų | 148.1 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | | | trans | -82.8 | 109.1 | 166.3 | -64.1 | 0 | 0 | 0 | 0 | 108.3 | S144 E148 | S144-S146 PolarHBondContact O-N 3.49Å; S146-E148 PolarHBondContact O-N 3.41Å |
| 147 | V | 51.5 | Low | 51.6 | Low | 121 Ų | 121 | 143.1 Ų | 143.1 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | | | trans | -83.7 | 100.6 | 173.2 | -161.8 | 0 | 0 | 0 | 0 | 107.4 | L149 | V147-L149 PolarHBondContact O-N 2.96Š|
| 148 | E | 46 | Very low | 51.5 | Low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | | | trans | -73.2 | 94.7 | 172.2 | -161.2 | -180 | -176.9 | 0 | 0 | 108.5 | S146 G150 | S146-E148 PolarHBondContact O-N 3.41Å; E148-G150 VanDerWaalsContact C-N 3.29Å; E148-G150 PolarHBondContact O-N 3.25Å |
| 149 | L | 51.8 | Low | 51.2 | Low | 161 Ų | 161 | 147 Ų | 147 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | -70.1 | 90.6 | 168.7 | -97.8 | 131.4 | 0 | 0 | 0 | 108.4 | V147 A151 | V147-L149 PolarHBondContact O-N 2.96Å; L149-A151 PolarHBondContact O-N 3.37Å |
| 150 | G | 41.2 | Very low | 51.1 | Low | 66 Ų | 66 | 142.2 Ų | 142.2 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | | | trans | -54.8 | 106.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E148 R152 | E148-G150 VanDerWaalsContact C-N 3.29Å; E148-G150 PolarHBondContact O-N 3.25Å; G150-R152 VanDerWaalsContact C-N 3.34Å; G150-R152 PolarHBondContact O-N 3.21Å |
| 151 | A | 42.8 | Very low | 50.8 | Low | 101 Ų | 101 | 136 Ų | 136 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | trans | -69.8 | 88.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L149 R153 | L149-A151 PolarHBondContact O-N 3.37Å; A151-R153 PolarHBondContact O-N 3.43Å |
| 152 | R | 51.8 | Low | 50.4 | Low | 242 Ų | 242 | 141.6 Ų | 141.6 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | | | trans | -70.8 | 107.5 | 166.6 | -76.5 | -170.5 | 171.7 | -148.8 | -1.1 | 109.2 | G150 | G150-R152 VanDerWaalsContact C-N 3.34Å; G150-R152 PolarHBondContact O-N 3.21Å |
| 153 | R | 58.2 | Low | 50.2 | Low | 236 Ų | 236 | 147.9 Ų | 147.9 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | | | trans | -45.6 | 130.9 | 163.6 | -87.8 | 175.2 | 155.4 | -179.3 | -6.1 | 110.8 | A151 | A151-R153 PolarHBondContact O-N 3.43Š|
| 154 | P | 62.4 | Low | 49.7 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 144.6 | 159.9 | 30 | -30 | 0 | 0 | 0 | 109.8 | | |
| 155 | P | 58.1 | Low | 49.6 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 140.6 | 174.7 | 28.1 | -31.8 | 0 | 0 | 0 | 110.6 | | |
| 156 | A | 46.8 | Very low | 49.9 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -65 | 146.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 157 | G | 44.7 | Very low | 49.9 | Very low | 69 Ų | 69 | 149 Ų | 149 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | | | trans | 109.9 | 98.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 158 | L | 49.8 | Very low | 49.8 | Very low | 181 Ų | 181 | 149.3 Ų | 149.3 | 95% | 0.948 | 83% | 0.828 | S | S | * | * | | | | -162.9 | 115.1 | 114.7 | -91.4 | 179 | 0 | 0 | 0 | 108 | | |
| 159 | R | 47.8 | Very low | 50.2 | Low | 244 Ų | 244 | 146.4 Ų | 146.4 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | | | trans | -87.2 | 116.4 | 178.4 | -167 | -174.8 | -169.8 | -166.1 | 3.9 | 106.1 | | |
| 160 | A | 48.8 | Very low | 50 | Low | 100 Ų | 100 | 142.4 Ų | 142.4 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | | | trans | -150.2 | 103.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 161 | S | 46.3 | Very low | 49.9 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | | | trans | -61.3 | 143.1 | 168.8 | -48.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 162 | R | 51.4 | Low | 50 | Low | 236 Ų | 236 | 150.5 Ų | 150.5 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | | | | 179.3 | 122.6 | 114.9 | -100.5 | 175.4 | 169.2 | 179.9 | -3.4 | 111.1 | | |
| 163 | E | 45.4 | Very low | 49.6 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | | | trans | -60 | 126.3 | 164.4 | -58.6 | 163 | -167.6 | 0 | 0 | 109.6 | | |
| 164 | I | 53.4 | Low | 49 | Very low | 143 Ų | 143 | 144 Ų | 144 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | | | trans | -144.1 | 98.5 | 153.9 | -54.4 | -178 | 0 | 0 | 0 | 107.8 | L166 | I164-L166 HydrophobicContact CG2-CD1 4.04Š|
| 165 | L | 46.9 | Very low | 48.1 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | | | trans | -46.3 | 132.8 | 152.6 | -115.9 | 78.4 | 0 | 0 | 0 | 109.3 | | |
| 166 | L | 56.1 | Low | 47.6 | Very low | 164 Ų | 164 | 147 Ų | 147 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | | | trans | -170.2 | 117.6 | 148.2 | -96.3 | 146.6 | 0 | 0 | 0 | 109.1 | I164 | I164-L166 HydrophobicContact CG2-CD1 4.04Š|
| 167 | G | 45.8 | Very low | 47.8 | Very low | 68 Ų | 68 | 150.7 Ų | 150.7 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | | | trans | -77.1 | -174.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 168 | P | 49.9 | Very low | 47.6 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -90.2 | 140.9 | -166.4 | 35.1 | -31 | 0 | 0 | 0 | 112.3 | | |
| 169 | P | 55.6 | Low | 47.7 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -89.3 | 134.4 | 158.9 | 33.6 | -25.1 | 0 | 0 | 0 | 108 | | |
| 170 | G | 46.7 | Very low | 47.6 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | cis | 105 | 101.3 | 43.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 171 | H | 39.4 | Very low | 47.6 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | | | trans | -52.7 | 148.3 | 177.6 | -96.6 | -93.2 | 0 | 0 | 0 | 113.1 | | |
| 172 | D | 45.3 | Very low | 47.7 | Very low | 158 Ų | 158 | 143 Ų | 143 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | -142.6 | 128.6 | 150.5 | -106 | -25.7 | 0 | 0 | 0 | 112.9 | | |
| 173 | S | 43.6 | Very low | 47.8 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | | | trans | -106.3 | 122.8 | -177.5 | -56.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 174 | R | 45.1 | Very low | 48.5 | Very low | 237 Ų | 237 | 140.3 Ų | 140.3 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | | | trans | -143.4 | 105.8 | 163.7 | -70.5 | -173 | 178.2 | -177.1 | -0.5 | 107.4 | | |
| 175 | G | 43 | Very low | 48.7 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | | 99.8 | 140 | 93.3 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 176 | R | 48.2 | Very low | 49.4 | Very low | 229 Ų | 229 | 136.8 Ų | 136.8 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | cis | -168 | 151.8 | 23.6 | -87.6 | -176.8 | 176.9 | -136.4 | -0.2 | 108 | | |
| 177 | H | 50.3 | Low | 48.9 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | trans | 31.8 | 135.9 | 143.5 | -57.1 | -77.4 | 0 | 0 | 0 | 120.4 | | |
| 178 | G | 40.1 | Very low | 48.9 | Very low | 69 Ų | 69 | 134.6 Ų | 134.6 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | cis | -173.6 | -170.9 | 29.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 179 | P | 51.7 | Low | 48.8 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | -119.9 | -158.9 | -145.3 | 44.4 | -30.3 | 0 | 0 | 0 | 114.5 | | |
| 180 | P | 46.7 | Very low | 48.7 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | | | | -101.6 | 155.3 | -105.4 | 34.7 | -16.7 | 0 | 0 | 0 | 113.8 | | |
| 181 | G | 49.4 | Very low | 48.6 | Very low | 77 Ų | 77 | 142.7 Ų | 142.7 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -142 | 108 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 182 | D | 48.7 | Very low | 49.1 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | | | trans | -55.9 | 142.7 | 170 | -56 | -59.7 | 0 | 0 | 0 | 111.2 | | |
| 183 | F | 53 | Low | 49.2 | Very low | 213 Ų | 213 | 136.4 Ų | 136.4 | 93% | 0.934 | 81% | 0.809 | S | S | * | * | | | trans | -172.2 | 138.6 | 138 | -97.1 | -70 | 0 | 0 | 0 | 110.2 | | |
| 184 | L | 59.1 | Low | 49.3 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 165.5 | -156.4 | -68 | 162.3 | 0 | 0 | 0 | 116.8 | | |
| 185 | P | 58.4 | Low | 49.7 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90 | 154.3 | -176.9 | 36.4 | -32.3 | 0 | 0 | 0 | 112.5 | | |
| 186 | P | 61.1 | Low | 50 | Low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 117.9 | 159.8 | 32.7 | -23.4 | 0 | 0 | 0 | 110.9 | | |
| 187 | S | 46.5 | Very low | 49.4 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | | | trans | -40.8 | 133.1 | 160.8 | -40.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 188 | G | 44.8 | Very low | 48.9 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | -152.3 | 84.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 189 | H | 49.1 | Very low | 49.3 | Very low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | | | trans | -62.4 | 140.7 | 175.3 | -62.6 | -91.3 | 0 | 0 | 0 | 113 | | |
| 190 | R | 51.7 | Low | 49 | Very low | 251 Ų | 251 | 137.5 Ų | 137.5 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | | | | 174.7 | 128 | 119 | -94.1 | 171 | -176 | -165.1 | 1.6 | 111 | | |
| 191 | G | 46.2 | Very low | 49.6 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | -85 | -169.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 192 | P | 48.6 | Very low | 49.7 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | -89.7 | 125.7 | -170.1 | 34.1 | -29.1 | 0 | 0 | 0 | 111.5 | | |
| 193 | G | 48 | Very low | 50.7 | Low | 78 Ų | 78 | 142.3 Ų | 142.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -97.1 | 112.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 194 | Y | 45.7 | Very low | 50.7 | Low | 223 Ų | 223 | 140.5 Ų | 140.5 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | | | trans | -103.7 | 142.6 | 146.5 | -84.1 | -89.5 | 0 | 0 | 0 | 106.1 | | |
| 195 | P | 54.6 | Low | 50 | Low | 104 Ų | 104 | 135.8 Ų | 135.8 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | | | | -153.6 | 175.6 | 102.5 | 28.7 | -4.6 | 0 | 0 | 0 | 116.3 | | |
| 196 | H | 47.8 | Very low | 49.9 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | | | trans | 101.1 | 92.6 | 158.2 | -59.5 | -72.1 | 0 | 0 | 0 | 119.4 | | |
| 197 | S | 36 | Very low | 49.3 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -63.4 | 128.7 | 152.8 | -26.5 | 0 | 0 | 0 | 0 | 111 | | |
| 198 | T | 40.1 | Very low | 49.4 | Very low | 129 Ų | 129 | 141 Ų | 141 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -172.8 | 101.1 | 153.1 | 20.5 | 0 | 0 | 0 | 0 | 109 | | |
| 199 | L | 48.7 | Very low | 49.7 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | -161.3 | 97.9 | 148.2 | -120.2 | 140.9 | 0 | 0 | 0 | 109.2 | F201 | L199-F201 HydrophobicContact CD2-CD2 4.11Å; L199-F201 HydrophobicContact CD2-CE2 3.42Å; L199-F201 VanDerWaalsContact CD2-CE2 3.42Å; L199-F201 HydrophobicContact CD2-CZ 3.87Å |
| 200 | E | 45.3 | Very low | 49.7 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -71.7 | 132.8 | 170.5 | -62.1 | -165 | 148.1 | 0 | 0 | 110 | H202 | E200-H202 IonicContact OE2-CE1 3.39Å; E200-H202 PolarHBondContact OE2-CE1 3.29Å |
| 201 | F | 58.8 | Low | 49.7 | Very low | 180 Ų | 180 | 136 Ų | 136 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | | | trans | -124.9 | 113.4 | 161.7 | -83.1 | -80.9 | 0 | 0 | 0 | 108.4 | L199 | L199-F201 HydrophobicContact CD2-CD2 4.11Å; L199-F201 HydrophobicContact CD2-CE2 3.42Å; L199-F201 VanDerWaalsContact CD2-CE2 3.42Å; L199-F201 HydrophobicContact CD2-CZ 3.87Å |
| 202 | H | 52 | Low | 50.1 | Low | 140 Ų | 140 | 140.2 Ų | 140.2 | 65% | 0.648 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 130.8 | 173.6 | -66.7 | 26.7 | 0 | 0 | 0 | 109.9 | E200 | E200-H202 IonicContact OE2-CE1 3.39Å; E200-H202 PolarHBondContact OE2-CE1 3.29Å |
| 203 | P | 69.1 | Low | 50.5 | Low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 117.8 | 156.3 | 30.1 | -25 | 0 | 0 | 0 | 110.1 | | |
| 204 | H | 53.9 | Low | 50.9 | Low | 176 Ų | 176 | 143.5 Ų | 143.5 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 147.6 | 164.3 | -82.9 | -1.8 | 0 | 0 | 0 | 111 | | |
| 205 | G | 44.5 | Very low | 51.1 | Low | 60 Ų | 60 | 135.9 Ų | 135.9 | 62% | 0.619 | 76% | 0.756 | S | S | * | * | | | trans | -73.9 | -177.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 206 | H | 54.9 | Low | 51.6 | Low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | | | | -175.5 | 148 | 115.6 | -89.1 | -61.9 | 0 | 0 | 0 | 110.1 | | |
| 207 | H | 50.2 | Low | 52.1 | Low | 193 Ų | 193 | 135 Ų | 135 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | | | trans | -58.4 | 147 | -175.8 | -62 | -102.3 | 0 | 0 | 0 | 113.2 | | |
| 208 | G | 46.9 | Very low | 53.5 | Low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | trans | -168.4 | 83.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 209 | S | 52.7 | Low | 54.8 | Low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | 47.2 | 106.4 | 152.5 | 64.7 | 0 | 0 | 0 | 0 | 119.9 | H211 | S209-H211 PolarHBondContact O-N 2.92Š|
| 210 | L | 47.5 | Very low | 55.2 | Low | 151 Ų | 151 | 132.1 Ų | 132.1 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | trans | -60.4 | 111.5 | 148.1 | -75 | 156.4 | 0 | 0 | 0 | 108.9 | | |
| 211 | H | 53.2 | Low | 56.6 | Low | 142 Ų | 142 | 130.1 Ų | 130.1 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | | | trans | -103.4 | 101.1 | 159.9 | -99.5 | 35.9 | 0 | 0 | 0 | 107.9 | S209 H213 | S209-H211 PolarHBondContact O-N 2.92Å; H211-H213 AromaticContact CD2-CE1 3.65Å; H211-H213 AromaticContact CD2-NE2 3.47Å; H211-H213 PolarHBondContact CD2-NE2 3.31Å; H211-H213 AromaticContact CG-NE2 3.98Å; H211-H213 PolarHBondContact O-N 2.93Å |
| 212 | H | 53.9 | Low | 57.1 | Low | 162 Ų | 162 | 126.9 Ų | 126.9 | 75% | 0.75 | 74% | 0.742 | S | S | * | * | | | trans | -68.2 | 107.3 | 164 | -71.4 | -77.8 | 0 | 0 | 0 | 107.8 | | |
| 213 | H | 56 | Low | 58.1 | Low | 154 Ų | 154 | 125.5 Ų | 125.5 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | trans | -104.9 | 122.2 | 164 | -67.2 | -53.8 | 0 | 0 | 0 | 109.1 | H211 | H211-H213 AromaticContact CD2-CE1 3.65Å; H211-H213 AromaticContact CD2-NE2 3.47Å; H211-H213 PolarHBondContact CD2-NE2 3.31Å; H211-H213 AromaticContact CG-NE2 3.98Å; H211-H213 PolarHBondContact O-N 2.93Å |
| 214 | S | 57.5 | Low | 58 | Low | 122 Ų | 122 | 128.6 Ų | 128.6 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | | | trans | -44.4 | 127.7 | -178.3 | -43.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 215 | G | 49.6 | Very low | 58.3 | Low | 64 Ų | 64 | 129.3 Ų | 129.3 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 149.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D217 | G215-D217 PolarHBondContact O-N 2.99Š|
| 216 | P | 65.8 | Low | 59.4 | Low | 129 Ų | 129 | 132 Ų | 132 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -67 | 130.6 | 176.6 | 27.3 | -31.7 | 0 | 0 | 0 | 110.2 | | |
| 217 | D | 58.5 | Low | 59.3 | Low | 126 Ų | 126 | 125.1 Ų | 125.1 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 124.7 | 173.9 | -164.9 | -8.4 | 0 | 0 | 0 | 111 | G215 H219 | G215-D217 PolarHBondContact O-N 2.99Å; D217-H219 PolarHBondContact O-N 2.85Å; D217-H219 IonicContact OD1-CD2 3.67Å |
| 218 | P | 64.4 | Low | 59.7 | Low | 112 Ų | 112 | 122.4 Ų | 122.4 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 11.2 | 179.9 | 28.3 | -32.2 | 0 | 0 | 0 | 114.9 | | |
| 219 | H | 67.9 | Low | 60.3 | Low | 158 Ų | 158 | 127.8 Ų | 127.8 | 73% | 0.731 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 23.1 | -174.8 | -65.9 | -64.4 | 0 | 0 | 0 | 116.2 | D217 | D217-H219 PolarHBondContact O-N 2.85Å; D217-H219 IonicContact OD1-CD2 3.67Å |
| 220 | G | 55.8 | Low | 60.2 | Low | 59 Ų | 59 | 125.7 Ų | 125.7 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 134.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 221 | P | 74.8 | Confident | 61.3 | Low | 118 Ų | 118 | 124.3 Ų | 124.3 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 146.1 | 178.7 | 25.6 | -33.5 | 0 | 0 | 0 | 111 | | |
| 222 | P | 70.3 | Confident | 62.2 | Low | 111 Ų | 111 | 122.5 Ų | 122.5 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 138.3 | -179.5 | 25.7 | -33 | 0 | 0 | 0 | 110.6 | H224 | P222-H224 PolarHBondContact O-N 3.17Š|
| 223 | P | 73.5 | Confident | 63 | Low | 111 Ų | 111 | 120.1 Ų | 120.1 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.9 | 170.5 | 25.5 | -30.3 | 0 | 0 | 0 | 109.2 | F225 | P223-F225 PolarHBondContact O-N 2.66Å; P223-F225 VanDerWaalsContact O-N 3.14Å |
| 224 | H | 65.3 | Low | 63.3 | Low | 191 Ų | 191 | 124.4 Ų | 124.4 | 88% | 0.884 | 75% | 0.747 | S | S | * | * | | | trans | -54.8 | 114.5 | 172.1 | -74.5 | -83.1 | 0 | 0 | 0 | 110.2 | P222 P226 | P222-H224 PolarHBondContact O-N 3.17Å; H224-P226 WeakPolarHBondContact O-CD 3.25Å |
| 225 | F | 60.2 | Low | 63.5 | Low | 191 Ų | 191 | 126.5 Ų | 126.5 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 126.4 | 165.2 | -79 | -87.6 | 0 | 0 | 0 | 109 | P223 G227 | P223-F225 PolarHBondContact O-N 2.66Å; P223-F225 VanDerWaalsContact O-N 3.14Å; F225-G227 PolarHBondContact O-N 3.01Å |
| 226 | P | 67.6 | Low | 63.8 | Low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 116.7 | 155.9 | 27.5 | -27.5 | 0 | 0 | 0 | 107.3 | H224 | H224-P226 WeakPolarHBondContact O-CD 3.25Š|
| 227 | G | 52.6 | Low | 63.2 | Low | 46 Ų | 46 | 126.2 Ų | 126.2 | 47% | 0.474 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 159.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F225 H229 | F225-G227 PolarHBondContact O-N 3.01Å; G227-H229 PolarHBondContact O-N 3.41Å; G227-H229 VanDerWaalsContact O-N 3.13Å |
| 228 | P | 58.6 | Low | 63.3 | Low | 135 Ų | 135 | 128.6 Ų | 128.6 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | | | trans | -72.2 | 112 | -176 | 29.9 | -31.1 | 0 | 0 | 0 | 109.3 | G230 | P228-G230 PolarHBondContact O-N 3.17Š|
| 229 | H | 59.7 | Low | 62.8 | Low | 183 Ų | 183 | 128.4 Ų | 128.4 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | | | trans | -69.1 | 98.2 | 163.6 | -67.2 | -72.3 | 0 | 0 | 0 | 108 | G227 | G227-H229 PolarHBondContact O-N 3.41Å; G227-H229 VanDerWaalsContact O-N 3.13Å |
| 230 | G | 50.4 | Low | 62.8 | Low | 60 Ų | 60 | 126.7 Ų | 126.7 | 62% | 0.619 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 143.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | P228 | P228-G230 PolarHBondContact O-N 3.17Š|
| 231 | P | 71.3 | Confident | 63.2 | Low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 147.4 | 166.6 | 28.7 | -31.5 | 0 | 0 | 0 | 110 | | |
| 232 | P | 72.2 | Confident | 62.2 | Low | 105 Ų | 105 | 134.1 Ų | 134.1 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 153.1 | -172.1 | 26.9 | -35.1 | 0 | 0 | 0 | 112.5 | R234 | P232-R234 PolarHBondContact O-N 3.11Š|
| 233 | P | 70.5 | Confident | 62 | Low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 122.8 | 169.9 | 27 | -30.8 | 0 | 0 | 0 | 109.2 | | |
| 234 | R | 62.7 | Low | 61.5 | Low | 245 Ų | 245 | 137.3 Ų | 137.3 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | | | trans | -86.1 | 112.4 | 168.2 | -73.3 | -166.1 | 175.8 | -138.8 | -0 | 108.8 | P232 | P232-R234 PolarHBondContact O-N 3.11Š|
| 235 | H | 60.9 | Low | 60.9 | Low | 165 Ų | 165 | 131.1 Ų | 131.1 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | -64 | 156.5 | 172.3 | -76.1 | -84.3 | 0 | 0 | 0 | 112.1 | G237 | H235-G237 PolarHBondContact O-N 3.33Š|
| 236 | P | 55.7 | Low | 60.8 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | trans | -78 | 124.1 | -165.9 | -6.7 | 25 | 0 | 0 | 0 | 111.5 | H238 | P236-H238 PolarHBondContact O-N 3.49Š|
| 237 | G | 54.6 | Low | 60.3 | Low | 79 Ų | 79 | 130.6 Ų | 130.6 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | | | trans | -81.2 | 109.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | H235 S239 | H235-G237 PolarHBondContact O-N 3.33Å; G237-S239 PolarHBondContact O-N 3.39Å |
| 238 | H | 59.3 | Low | 60.4 | Low | 177 Ų | 177 | 136.7 Ų | 136.7 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 116.6 | 166.7 | -67.6 | -85.5 | 0 | 0 | 0 | 109.9 | P236 | P236-H238 PolarHBondContact O-N 3.49Š|
| 239 | S | 55.4 | Low | 60.7 | Low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 126.2 | 156.7 | -81.5 | 0 | 0 | 0 | 0 | 108.2 | G237 | G237-S239 PolarHBondContact O-N 3.39Š|
| 240 | P | 68.2 | Low | 61.1 | Low | 122 Ų | 122 | 129.9 Ų | 129.9 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 136 | 175 | 24.7 | -30.1 | 0 | 0 | 0 | 110.3 | | |
| 241 | H | 62.9 | Low | 61.7 | Low | 187 Ų | 187 | 134.8 Ų | 134.8 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 130.1 | 172.1 | -77.6 | -94 | 0 | 0 | 0 | 110.2 | P243 | H241-P243 WeakPolarHBondContact O-CD 3.21Š|
| 242 | D | 54.1 | Low | 62 | Low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | trans | -92.1 | 114.9 | 169.5 | -146.9 | -12 | 0 | 0 | 0 | 107.9 | | |
| 243 | P | 66.1 | Low | 62.4 | Low | 100 Ų | 100 | 137.1 Ų | 137.1 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -85.2 | -0.3 | -169.7 | 26.2 | -26.8 | 0 | 0 | 0 | 116 | H241 | H241-P243 WeakPolarHBondContact O-CD 3.21Š|
| 244 | F | 62.4 | Low | 62.8 | Low | 189 Ų | 189 | 137.3 Ų | 137.3 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | trans | -139.4 | 29.8 | -171.8 | -67.5 | -74.7 | 0 | 0 | 0 | 116.2 | | |
| 245 | G | 53.8 | Low | 63.5 | Low | 61 Ų | 61 | 130.9 Ų | 130.9 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | | | trans | -79.5 | 134.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 246 | P | 58.7 | Low | 64.1 | Low | 111 Ų | 111 | 128.5 Ų | 128.5 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | trans | -80.5 | 143.8 | -159.3 | -5 | 22.9 | 0 | 0 | 0 | 114.6 | | |
| 247 | H | 55.4 | Low | 64.5 | Low | 183 Ų | 183 | 133.7 Ų | 133.7 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | | | trans | 60.1 | 93.3 | 151.9 | -63.7 | -67.1 | 0 | 0 | 0 | 118.2 | G249 | H247-G249 PolarHBondContact O-N 3.14Š|
| 248 | H | 56.1 | Low | 64.4 | Low | 175 Ų | 175 | 140.8 Ų | 140.8 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -55.2 | 95.6 | 152.6 | -67.8 | -68.8 | 0 | 0 | 0 | 110.9 | | |
| 249 | G | 64.8 | Low | 64.2 | Low | 43 Ų | 43 | 139.4 Ų | 139.4 | 44% | 0.443 | 75% | 0.753 | S | S | . | * | | | trans | -68.1 | 153.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | H247 H251 | H247-G249 PolarHBondContact O-N 3.14Å; G249-H251 PolarHBondContact O-N 2.91Å |
| 250 | P | 68.4 | Low | 64 | Low | 131 Ų | 131 | 138.8 Ų | 138.8 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | | | trans | -57.1 | 111.5 | 175.8 | 23.1 | -31.1 | 0 | 0 | 0 | 108.9 | M252 | P250-M252 VanDerWaalsContact C-N 3.31Å; P250-M252 PolarHBondContact O-N 3.41Å |
| 251 | H | 63.2 | Low | 63.3 | Low | 163 Ų | 163 | 141.3 Ų | 141.3 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | | | trans | -64.7 | 91.7 | 177.4 | -83.7 | -88.7 | 0 | 0 | 0 | 108.8 | G249 | G249-H251 PolarHBondContact O-N 2.91Š|
| 252 | M | 77.2 | Confident | 62.8 | Low | 170 Ų | 170 | 139.8 Ų | 139.8 | 84% | 0.837 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 128.1 | 158.1 | -83.2 | -89.5 | -179.1 | 0 | 0 | 107.3 | P250 | P250-M252 VanDerWaalsContact C-N 3.31Å; P250-M252 PolarHBondContact O-N 3.41Å |
| 253 | P | 80.1 | Confident | 62.9 | Low | 105 Ų | 105 | 142 Ų | 142 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 140.7 | 171.7 | 24.9 | -32.2 | 0 | 0 | 0 | 108.2 | | |
| 254 | P | 78.8 | Confident | 62.5 | Low | 115 Ų | 115 | 140.3 Ų | 140.3 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 137.8 | 172.6 | 23.7 | -32.1 | 0 | 0 | 0 | 108.2 | | |
| 255 | P | 77.5 | Confident | 62.5 | Low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -54 | 142.3 | 176.1 | 22.6 | -32.1 | 0 | 0 | 0 | 108.5 | R257 | P255-R257 PolarHBondContact O-N 3.22Š|
| 256 | P | 73.8 | Confident | 62.6 | Low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 120.4 | 179.4 | 20.8 | -31 | 0 | 0 | 0 | 107.4 | R258 | P256-R258 PolarHBondContact O-N 3.09Š|
| 257 | R | 64.1 | Low | 62.5 | Low | 218 Ų | 218 | 134.7 Ų | 134.7 | 82% | 0.823 | 70% | 0.7 | S | S | * | * | | | trans | -55 | 95.2 | 173.1 | -92.7 | -179.7 | 163.6 | 179.7 | -3.5 | 106.2 | P255 H259 | P255-R257 PolarHBondContact O-N 3.22Å; R257-H259 PolarHBondContact O-N 3.26Å |
| 258 | R | 52.4 | Low | 62.4 | Low | 227 Ų | 227 | 129.8 Ų | 129.8 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | | | trans | -62.3 | 99.3 | 165.9 | -76.3 | -172 | 174.1 | -126.4 | 0.5 | 104 | P256 S260 | P256-R258 PolarHBondContact O-N 3.09Å; R258-S260 PolarHBondContact O-N 3.33Å |
| 259 | H | 55.4 | Low | 62.4 | Low | 148 Ų | 148 | 125.8 Ų | 125.8 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | | | trans | -65.2 | 75.1 | 159.2 | -70.6 | -64.7 | 0 | 0 | 0 | 106.5 | R257 R261 | R257-H259 PolarHBondContact O-N 3.26Å; H259-R261 PolarHBondContact O-N 2.69Å |
| 260 | S | 50.7 | Low | 62.1 | Low | 94 Ų | 94 | 127 Ų | 127 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | | | trans | -68.7 | 64 | 151.1 | 55.3 | 0 | 0 | 0 | 0 | 106.6 | R258 D262 | R258-S260 PolarHBondContact O-N 3.33Å; S260-D262 PolarHBondContact O-N 2.97Å |
| 261 | R | 52.9 | Low | 61.4 | Low | 176 Ų | 176 | 128 Ų | 128 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | | | trans | -71.7 | 99.9 | 145.4 | -75.6 | -179 | 170.3 | 162.9 | -5.5 | 102.2 | H259 R263 | H259-R261 PolarHBondContact O-N 2.69Å; R261-R263 HydrophobicContact CB-CG 3.94Å; R261-R263 PolarHBondContact O-N 2.76Å |
| 262 | D | 53.1 | Low | 60.7 | Low | 154 Ų | 154 | 122.6 Ų | 122.6 | 82% | 0.824 | 66% | 0.662 | S | S | * | * | | | trans | -50.8 | 76.4 | 145.2 | -64.5 | -45.3 | 0 | 0 | 0 | 106.4 | S260 S264 | S260-D262 PolarHBondContact O-N 2.97Å; D262-S264 PolarHBondContact O-N 2.82Å |
| 263 | R | 56 | Low | 59.6 | Low | 195 Ų | 195 | 118.9 Ų | 118.9 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | | | trans | -73.1 | 95.3 | 166.1 | -84.4 | -172.8 | 171.7 | 177 | -2.8 | 102.4 | R261 | R261-R263 HydrophobicContact CB-CG 3.94Å; R261-R263 PolarHBondContact O-N 2.76Å |
| 264 | S | 58.4 | Low | 58.5 | Low | 64 Ų | 64 | 126.2 Ų | 126.2 | 45% | 0.448 | 67% | 0.667 | S | S | . | * | | | trans | -33.7 | 127.7 | 154.7 | -87.8 | 0 | 0 | 0 | 0 | 108.8 | D262 S266 L284 | D262-S264 PolarHBondContact O-N 2.82Å; S264-S266 VanDerWaalsContact C-N 3.35Å; S264-S266 PolarHBondContact O-N 3.28Å; S264-L284 WeakPolarHBondContact CB-O 3.32Å; S264-L284 PolarHBondContact OG-O 3.44Å |
| 265 | P | 61 | Low | 57.9 | Low | 98 Ų | 98 | 131.2 Ų | 131.2 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | | | trans | -60.4 | 101.8 | 175.1 | 24.9 | -32 | 0 | 0 | 0 | 108.1 | | |
| 266 | S | 56.5 | Low | 56.8 | Low | 67 Ų | 67 | 133.8 Ų | 133.8 | 47% | 0.469 | 67% | 0.673 | S | S | . | * | | | trans | -81.4 | 121.4 | 171.5 | 47.9 | 0 | 0 | 0 | 0 | 108 | S264 | S264-S266 VanDerWaalsContact C-N 3.35Å; S264-S266 PolarHBondContact O-N 3.28Å |
| 267 | V | 56.1 | Low | 55.5 | Low | 77 Ų | 77 | 132 Ų | 132 | 47% | 0.467 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 111 | 173.2 | -177.8 | 0 | 0 | 0 | 0 | 106.9 | L269 L284 | V267-L269 HydrophobicContact CG1-CD1 4.43Å; V267-L269 HydrophobicContact CG1-CG 4.36Å; V267-L284 HydrophobicContact CG2-CD1 4.28Å |
| 268 | S | 53.5 | Low | 54.9 | Low | 81 Ų | 81 | 124 Ų | 124 | 57% | 0.566 | 66% | 0.66 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.4 | 174 | -60.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 269 | L | 57.4 | Low | 55.7 | Low | 91 Ų | 91 | 115.7 Ų | 115.7 | 48% | 0.476 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 106.3 | 172.5 | -79.7 | 152.4 | 0 | 0 | 0 | 108.2 | V267 F271 I280 | V267-L269 HydrophobicContact CG1-CD1 4.43Å; V267-L269 HydrophobicContact CG1-CG 4.36Å; L269-F271 HydrophobicContact CB-CD2 4.17Å; L269-F271 HydrophobicContact CB-CE2 3.61Å; L269-F271 HydrophobicContact CB-CZ 4.26Å; L269-F271 HydrophobicContact CD1-CE2 4.49Å; L269-F271 HydrophobicContact CD2-CE2 4.25Å; L269-F271 HydrophobicContact CD2-CZ 4.05Å; L269-F271 HydrophobicContact CG-CE2 4.33Å; L269-F271 PolarHBondContact O-N 3.39Å; L269-I280 PolarHBondContact N-O 2.84Å; L269-I280 PolarHBondContact O-N 2.92Å |
| 270 | G | 56.9 | Low | 55.9 | Low | 68 Ų | 68 | 114.1 Ų | 114.1 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.6 | 106.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 271 | F | 54.1 | Low | 56.1 | Low | 153 Ų | 153 | 113.4 Ų | 113.4 | 67% | 0.671 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 85.6 | 168.5 | -64.1 | -77.3 | 0 | 0 | 0 | 108.6 | L269 G278 | L269-F271 HydrophobicContact CB-CD2 4.17Å; L269-F271 HydrophobicContact CB-CE2 3.61Å; L269-F271 HydrophobicContact CB-CZ 4.26Å; L269-F271 HydrophobicContact CD1-CE2 4.49Å; L269-F271 HydrophobicContact CD2-CE2 4.25Å; L269-F271 HydrophobicContact CD2-CZ 4.05Å; L269-F271 HydrophobicContact CG-CE2 4.33Å; L269-F271 PolarHBondContact O-N 3.39Å; F271-G278 VanDerWaalsContact O-O 3.11Å |
| 272 | G | 49.4 | Very low | 56.6 | Low | 48 Ų | 48 | 109.3 Ų | 109.3 | 50% | 0.495 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 273 | S | 52.7 | Low | 57 | Low | 92 Ų | 92 | 109.1 Ų | 109.1 | 64% | 0.643 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.5 | 141.3 | 156.4 | 173.1 | 0 | 0 | 0 | 0 | 107.7 | R275 H276 | S273-R275 PolarHBondContact O-N 2.93Å; S273-H276 CarbonylContact O-C 3.56Å; S273-H276 PolarHBondContact O-N 3.44Å |
| 274 | R | 58.6 | Low | 57.3 | Low | 259 Ų | 259 | 106.5 Ų | 106.5 | 98% | 0.977 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.9 | -5.3 | -174.4 | -79.5 | -173.2 | 175.6 | -151.9 | 0.2 | 116.1 | | |
| 275 | R | 64.8 | Low | 57.2 | Low | 221 Ų | 221 | 108.6 Ų | 108.6 | 83% | 0.834 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | -17.8 | -178.7 | -63.4 | 180 | 179.5 | -103.4 | 1.2 | 114.7 | S273 | S273-R275 PolarHBondContact O-N 2.93Š|
| 276 | H | 55.4 | Low | 57 | Low | 163 Ų | 163 | 109.2 Ų | 109.2 | 76% | 0.755 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -147.3 | 92.1 | 177.9 | -66 | -66.4 | 0 | 0 | 0 | 109.9 | S273 G278 | S273-H276 CarbonylContact O-C 3.56Å; S273-H276 PolarHBondContact O-N 3.44Å; H276-G278 PolarHBondContact O-N 2.95Å; H276-G278 VanDerWaalsContact O-N 3.14Å |
| 277 | G | 46 | Very low | 57.1 | Low | 77 Ų | 77 | 111.5 Ų | 111.5 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 87.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 278 | G | 50.9 | Low | 57.1 | Low | 50 Ų | 50 | 113.5 Ų | 113.5 | 52% | 0.515 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 102.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110 | F271 H276 | F271-G278 VanDerWaalsContact O-O 3.11Å; H276-G278 PolarHBondContact O-N 2.95Å; H276-G278 VanDerWaalsContact O-N 3.14Å |
| 279 | G | 69.4 | Low | 57.4 | Low | 54 Ų | 54 | 115.6 Ų | 115.6 | 56% | 0.557 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 142 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 280 | I | 61 | Low | 57.4 | Low | 115 Ų | 115 | 117.2 Ų | 117.2 | 59% | 0.59 | 66% | 0.661 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.4 | 170.2 | -52.1 | 174 | 0 | 0 | 0 | 107.1 | L269 L282 | L269-I280 PolarHBondContact N-O 2.84Å; L269-I280 PolarHBondContact O-N 2.92Å; I280-L282 HydrophobicContact CG2-CD1 4.14Å |
| 281 | T | 53.9 | Low | 57.4 | Low | 78 Ų | 78 | 120.7 Ų | 120.7 | 48% | 0.479 | 66% | 0.658 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 117.8 | 172.9 | -56.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 282 | L | 63.2 | Low | 57.6 | Low | 90 Ų | 90 | 118.2 Ų | 118.2 | 47% | 0.471 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 128.1 | 168.2 | -89.4 | 102.8 | 0 | 0 | 0 | 110.2 | I280 | I280-L282 HydrophobicContact CG2-CD1 4.14Å |
| 283 | H | 61.8 | Low | 58.3 | Low | 150 Ų | 150 | 124.1 Ų | 124.1 | 69% | 0.694 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -95 | 122.3 | 166.2 | -69.4 | -93.2 | 0 | 0 | 0 | 108.3 | | |
| 284 | L | 62.2 | Low | 58.8 | Low | 140 Ų | 140 | 127 Ų | 127 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | | | trans | -100 | 0 | 179.3 | -77 | 151.8 | 0 | 0 | 0 | 112.1 | S264 V267 | S264-L284 WeakPolarHBondContact CB-O 3.32Å; S264-L284 PolarHBondContact OG-O 3.44Å; V267-L284 HydrophobicContact CG2-CD1 4.28Å |