| 1 | M | 81.6 | Confident | 90.3 | Very high | 232 Ų | 232 | 115.7 Ų | 115.7 | 100% | 1.143 | 62% | 0.617 | S | S | * | * | | | | 0 | 113.4 | 0 | -62 | -56.9 | -75.7 | 0 | 0 | 106.3 | | |
| 2 | E | 86.2 | Confident | 89.6 | Confident | 155 Ų | 155 | 109.5 Ų | 109.5 | 72% | 0.724 | 59% | 0.594 | S | S | * | * | | | trans | -65.4 | 139.2 | 173.5 | -65.4 | -177.8 | 137.6 | 0 | 0 | 108.8 | | |
| 3 | T | 95.7 | Very high | 88.7 | Confident | 64 Ų | 64 | 106.5 Ų | 106.5 | 39% | 0.393 | 59% | 0.586 | S | S | . | * | | | trans | -80.6 | 155 | 177.8 | 74.7 | 0 | 0 | 0 | 0 | 109.9 | L5 D6 V7 | T3-L5 PolarHBondContact O-N 3.32Å; T3-L5 VanDerWaalsContact O-N 3.15Å; T3-D6 VanDerWaalsContact CB-OD2 3.29Å; T3-D6 WeakPolarHBondContact CB-OD2 3.19Å; T3-D6 WeakPolarHBondContact CG2-OD2 3.14Å; T3-D6 PolarHBondContact N-OD2 3.01Å; T3-D6 WeakPolarHBondContact O-CB 3.24Å; T3-D6 PolarHBondContact O-N 3.01Å; T3-D6 PolarHBondContact OG1-N 3.22Å; T3-D6 PolarHBondContact OG1-OD1 3.26Å; T3-D6 PolarHBondContact OG1-OD2 3.4Å; T3-V7 PolarHBondContact O-N 2.82Å |
| 4 | P | 95.7 | Very high | 87.9 | Confident | 106 Ų | 106 | 108.3 Ų | 108.3 | 69% | 0.688 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -55.8 | -30.6 | 173.8 | -27.5 | 35.9 | 0 | 0 | 0 | 113.6 | L8 | P4-L8 WeakPolarHBondContact O-CG 3.22Å; P4-L8 PolarHBondContact O-N 2.96Å |
| 5 | L | 93.1 | Very high | 86.9 | Confident | 124 Ų | 124 | 108 Ų | 108 | 65% | 0.649 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70 | -35.8 | 177.2 | -68.8 | 177.1 | 0 | 0 | 0 | 112.5 | T3 V7 L8 S9 | T3-L5 PolarHBondContact O-N 3.32Å; T3-L5 VanDerWaalsContact O-N 3.15Å; L5-V7 VanDerWaalsContact C-N 3.31Å; L5-V7 PolarHBondContact O-N 3.44Å; L5-L8 PolarHBondContact O-N 2.92Å; L5-S9 WeakPolarHBondContact O-CB 3.44Å; L5-S9 PolarHBondContact O-N 3.15Å; L5-S9 PolarHBondContact O-OG 2.7Å |
| 6 | D | 91.7 | Very high | 85.6 | Confident | 86 Ų | 86 | 107.4 Ų | 107.4 | 46% | 0.46 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.2 | -39.1 | 178.3 | -58.4 | -41.3 | 0 | 0 | 0 | 110.8 | T3 S9 R10 | T3-D6 VanDerWaalsContact CB-OD2 3.29Å; T3-D6 WeakPolarHBondContact CB-OD2 3.19Å; T3-D6 WeakPolarHBondContact CG2-OD2 3.14Å; T3-D6 PolarHBondContact N-OD2 3.01Å; T3-D6 WeakPolarHBondContact O-CB 3.24Å; T3-D6 PolarHBondContact O-N 3.01Å; T3-D6 PolarHBondContact OG1-N 3.22Å; T3-D6 PolarHBondContact OG1-OD1 3.26Å; T3-D6 PolarHBondContact OG1-OD2 3.4Å; D6-S9 PolarHBondContact O-N 2.78Å; D6-R10 WeakPolarHBondContact O-CB 3.33Å; D6-R10 PolarHBondContact O-N 3.42Å |
| 7 | V | 93.6 | Very high | 84.1 | Confident | 83 Ų | 83 | 104.1 Ų | 104.1 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66 | -45.1 | 176.9 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | T3 L5 R10 A11 | T3-V7 PolarHBondContact O-N 2.82Å; L5-V7 VanDerWaalsContact C-N 3.31Å; L5-V7 PolarHBondContact O-N 3.44Å; V7-R10 PolarHBondContact O-N 2.75Å; V7-A11 WeakPolarHBondContact O-CB 3.32Å; V7-A11 PolarHBondContact O-N 2.59Å |
| 8 | L | 90.9 | Very high | 82.8 | Confident | 117 Ų | 117 | 106.2 Ų | 106.2 | 61% | 0.613 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.5 | -41.8 | 176.8 | -71.7 | 171 | 0 | 0 | 0 | 111.9 | P4 L5 A11 A12 | P4-L8 WeakPolarHBondContact O-CG 3.22Å; P4-L8 PolarHBondContact O-N 2.96Å; L5-L8 PolarHBondContact O-N 2.92Å; L8-A11 PolarHBondContact O-N 2.88Å; L8-A12 WeakPolarHBondContact O-CB 3.15Å; L8-A12 PolarHBondContact O-N 2.79Å |
| 9 | S | 87.4 | Confident | 81.6 | Confident | 72 Ų | 72 | 105.1 Ų | 105.1 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.5 | -43.5 | 178.1 | -57 | 0 | 0 | 0 | 0 | 111.2 | L5 D6 A12 S13 | L5-S9 WeakPolarHBondContact O-CB 3.44Å; L5-S9 PolarHBondContact O-N 3.15Å; L5-S9 PolarHBondContact O-OG 2.7Å; D6-S9 PolarHBondContact O-N 2.78Å; S9-A12 WeakPolarHBondContact O-CB 3.37Å; S9-A12 PolarHBondContact O-N 2.87Å; S9-S13 PolarHBondContact O-N 2.87Å; S9-S13 PolarHBondContact O-OG 2.71Å |
| 10 | R | 89.1 | Confident | 80.5 | Confident | 184 Ų | 184 | 106.6 Ų | 106.6 | 69% | 0.694 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.8 | -39.9 | 176 | -170.7 | -178.8 | -177.6 | 111.5 | 3.1 | 112.4 | D6 V7 A12 S13 L14 | D6-R10 WeakPolarHBondContact O-CB 3.33Å; D6-R10 PolarHBondContact O-N 3.42Å; V7-R10 PolarHBondContact O-N 2.75Å; R10-A12 VanDerWaalsContact C-N 3.35Å; R10-S13 PolarHBondContact O-N 2.81Å; R10-L14 PolarHBondContact O-N 2.89Å |
| 11 | A | 87.9 | Confident | 79.5 | Confident | 50 Ų | 50 | 109.6 Ų | 109.6 | 41% | 0.413 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.1 | -38.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V7 L8 L14 V15 | V7-A11 WeakPolarHBondContact O-CB 3.32Å; V7-A11 PolarHBondContact O-N 2.59Å; L8-A11 PolarHBondContact O-N 2.88Å; A11-L14 PolarHBondContact O-N 2.74Å; A11-V15 PolarHBondContact O-N 2.89Å |
| 12 | A | 82.9 | Confident | 78.3 | Confident | 41 Ų | 41 | 106.1 Ų | 106.1 | 34% | 0.339 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L8 S9 R10 L14 V15 H16 | L8-A12 WeakPolarHBondContact O-CB 3.15Å; L8-A12 PolarHBondContact O-N 2.79Å; S9-A12 WeakPolarHBondContact O-CB 3.37Å; S9-A12 PolarHBondContact O-N 2.87Å; R10-A12 VanDerWaalsContact C-N 3.35Å; A12-L14 VanDerWaalsContact C-N 3.27Å; A12-L14 PolarHBondContact O-N 2.94Å; A12-V15 WeakPolarHBondContact O-CG2 3.18Å; A12-V15 PolarHBondContact O-N 2.68Å; A12-H16 PolarHBondContact O-CD2 2.91Å; A12-H16 PolarHBondContact O-N 2.91Å |
| 13 | S | 77.8 | Confident | 77 | Confident | 70 Ų | 70 | 102.3 Ų | 102.3 | 49% | 0.49 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.4 | -34.3 | 175.9 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | S9 R10 H16 A17 | S9-S13 PolarHBondContact O-N 2.87Å; S9-S13 PolarHBondContact O-OG 2.71Å; R10-S13 PolarHBondContact O-N 2.81Å; S13-H16 PolarHBondContact O-N 3.29Å; S13-A17 WeakPolarHBondContact O-CB 3.07Å; S13-A17 PolarHBondContact O-N 2.91Å |
| 14 | L | 76.9 | Confident | 75.2 | Confident | 132 Ų | 132 | 102.4 Ų | 102.4 | 69% | 0.691 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.9 | -31.4 | 178 | -75.4 | 155.5 | 0 | 0 | 0 | 113 | R10 A11 A12 | R10-L14 PolarHBondContact O-N 2.89Å; A11-L14 PolarHBondContact O-N 2.74Å; A12-L14 VanDerWaalsContact C-N 3.27Å; A12-L14 PolarHBondContact O-N 2.94Å |
| 15 | V | 73.4 | Confident | 73.5 | Confident | 104 Ų | 104 | 101.4 Ų | 101.4 | 63% | 0.63 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -82.2 | -21.8 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 112.9 | A11 A12 | A11-V15 PolarHBondContact O-N 2.89Å; A12-V15 WeakPolarHBondContact O-CG2 3.18Å; A12-V15 PolarHBondContact O-N 2.68Å |
| 16 | H | 65.7 | Low | 71.7 | Confident | 99 Ų | 99 | 101 Ų | 101 | 46% | 0.458 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -103.7 | -0.9 | 179.5 | -61.5 | -56.4 | 0 | 0 | 0 | 113.9 | A12 S13 D18 D19 E20 | A12-H16 PolarHBondContact O-CD2 2.91Å; A12-H16 PolarHBondContact O-N 2.91Å; S13-H16 PolarHBondContact O-N 3.29Å; H16-D18 VanDerWaalsContact C-N 3.27Å; H16-D18 PolarHBondContact O-N 3.39Å; H16-D19 PolarHBondContact O-N 3.47Å; H16-D19 VanDerWaalsContact O-N 3.08Å; H16-E20 PolarHBondContact O-N 3.27Å |
| 17 | A | 60.3 | Low | 70.1 | Confident | 51 Ų | 51 | 104.7 Ų | 104.7 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.5 | -33.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S13 | S13-A17 WeakPolarHBondContact O-CB 3.07Å; S13-A17 PolarHBondContact O-N 2.91Å |
| 18 | D | 59.7 | Low | 68.6 | Low | 142 Ų | 142 | 104.3 Ų | 104.3 | 76% | 0.759 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -77.3 | -33.3 | 175.9 | -83.7 | -54.8 | 0 | 0 | 0 | 112.5 | H16 R22 | H16-D18 VanDerWaalsContact C-N 3.27Å; H16-D18 PolarHBondContact O-N 3.39Å; D18-R22 VanDerWaalsContact O-CB 3.32Å; D18-R22 WeakPolarHBondContact O-CB 3.41Å; D18-R22 PolarHBondContact O-N 2.91Å |
| 19 | D | 60.8 | Low | 67.2 | Low | 84 Ų | 84 | 105.3 Ų | 105.3 | 45% | 0.449 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72 | -40 | 176.9 | -86.3 | -40.6 | 0 | 0 | 0 | 111.7 | H16 K21 R22 E23 | H16-D19 PolarHBondContact O-N 3.47Å; H16-D19 VanDerWaalsContact O-N 3.08Å; D19-K21 VanDerWaalsContact C-N 3.34Å; D19-K21 PolarHBondContact O-N 3.05Å; D19-R22 PolarHBondContact O-N 2.96Å; D19-E23 WeakPolarHBondContact O-CB 3.49Å; D19-E23 WeakPolarHBondContact O-CG 3.37Å; D19-E23 PolarHBondContact O-N 2.75Å |
| 20 | E | 59.9 | Low | 65.9 | Low | 136 Ų | 136 | 106.5 Ų | 106.5 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.6 | -41.3 | 179.1 | -72.3 | -168.3 | 144.2 | 0 | 0 | 112.6 | H16 A24 | H16-E20 PolarHBondContact O-N 3.27Å; E20-A24 WeakPolarHBondContact O-CB 3.4Å; E20-A24 PolarHBondContact O-N 3.21Å |
| 21 | K | 58.2 | Low | 64.7 | Low | 169 Ų | 169 | 109.2 Ų | 109.2 | 74% | 0.735 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71 | -36.4 | 179 | -154.6 | -170.6 | -172.3 | -160.8 | 0 | 111.7 | D19 A25 | D19-K21 VanDerWaalsContact C-N 3.34Å; D19-K21 PolarHBondContact O-N 3.05Å; K21-A25 WeakPolarHBondContact O-CB 3.39Å; K21-A25 PolarHBondContact O-N 3.39Å; K21-A25 VanDerWaalsContact O-N 3.13Å |
| 22 | R | 57.1 | Low | 63.1 | Low | 159 Ų | 159 | 113.4 Ų | 113.4 | 60% | 0.6 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.4 | -49 | 174.8 | 178 | -175.4 | 169.4 | 104.6 | 1.2 | 111.2 | D18 D19 A24 A25 L26 | D18-R22 VanDerWaalsContact O-CB 3.32Å; D18-R22 WeakPolarHBondContact O-CB 3.41Å; D18-R22 PolarHBondContact O-N 2.91Å; D19-R22 PolarHBondContact O-N 2.96Å; R22-A24 VanDerWaalsContact C-N 3.35Å; R22-A24 PolarHBondContact O-N 3.13Å; R22-A25 PolarHBondContact O-N 3.22Å; R22-L26 HydrophobicContact CG-CD1 3.84Å; R22-L26 HydrophobicContact CG-CG 4.49Å; R22-L26 WeakPolarHBondContact O-CB 3.42Å; R22-L26 WeakPolarHBondContact O-CG 3.42Å; R22-L26 PolarHBondContact O-N 3.28Å |
| 23 | E | 58.9 | Low | 62 | Low | 76 Ų | 76 | 119.5 Ų | 119.5 | 36% | 0.355 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.6 | -38.4 | 178.5 | -73.6 | -70 | 121.2 | 0 | 0 | 111.7 | D19 L26 R27 | D19-E23 WeakPolarHBondContact O-CB 3.49Å; D19-E23 WeakPolarHBondContact O-CG 3.37Å; D19-E23 PolarHBondContact O-N 2.75Å; E23-L26 PolarHBondContact O-N 2.87Å; E23-R27 WeakPolarHBondContact O-CB 3.42Å; E23-R27 WeakPolarHBondContact O-CG 3.29Å; E23-R27 PolarHBondContact O-N 3.15Å; E23-R27 IonicContact OE2-CZ 3.8Å; E23-R27 IonicContact OE2-NH1 3.87Å; E23-R27 IonicContact OE2-NH2 3.29Å; E23-R27 PolarHBondContact OE2-NH2 3.37Å |
| 24 | A | 58.7 | Low | 61.2 | Low | 66 Ų | 66 | 121.8 Ų | 121.8 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.7 | -35.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E20 R22 | E20-A24 WeakPolarHBondContact O-CB 3.4Å; E20-A24 PolarHBondContact O-N 3.21Å; R22-A24 VanDerWaalsContact C-N 3.35Å; R22-A24 PolarHBondContact O-N 3.13Å |
| 25 | A | 58.4 | Low | 60.5 | Low | 85 Ų | 85 | 121.9 Ų | 121.9 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.4 | -28.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K21 R22 | K21-A25 WeakPolarHBondContact O-CB 3.39Å; K21-A25 PolarHBondContact O-N 3.39Å; K21-A25 VanDerWaalsContact O-N 3.13Å; R22-A25 PolarHBondContact O-N 3.22Å |
| 26 | L | 55.5 | Low | 59.9 | Low | 114 Ų | 114 | 122.6 Ų | 122.6 | 60% | 0.597 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -83.3 | -22.6 | 175.9 | -68.3 | 171.9 | 0 | 0 | 0 | 113.1 | R22 E23 G28 | R22-L26 HydrophobicContact CG-CD1 3.84Å; R22-L26 HydrophobicContact CG-CG 4.49Å; R22-L26 WeakPolarHBondContact O-CB 3.42Å; R22-L26 WeakPolarHBondContact O-CG 3.42Å; R22-L26 PolarHBondContact O-N 3.28Å; E23-L26 PolarHBondContact O-N 2.87Å; L26-G28 PolarHBondContact O-N 3.33Å |
| 27 | R | 59.2 | Low | 59.8 | Low | 164 Ų | 164 | 123.5 Ų | 123.5 | 62% | 0.619 | 66% | 0.657 | S | S | * | * | | | trans | -74.2 | 48.4 | 172.9 | -80 | -178.3 | 179 | 96.1 | 21.1 | 112.5 | E23 E29 | E23-R27 WeakPolarHBondContact O-CB 3.42Å; E23-R27 WeakPolarHBondContact O-CG 3.29Å; E23-R27 PolarHBondContact O-N 3.15Å; E23-R27 IonicContact OE2-CZ 3.8Å; E23-R27 IonicContact OE2-NH1 3.87Å; E23-R27 IonicContact OE2-NH2 3.29Å; E23-R27 PolarHBondContact OE2-NH2 3.37Å; R27-E29 PolarHBondContact O-N 3.08Å |
| 28 | G | 62.6 | Low | 59.8 | Low | 75 Ų | 75 | 125.8 Ų | 125.8 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | | | trans | -63.1 | 44.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L26 | L26-G28 PolarHBondContact O-N 3.33Š|
| 29 | E | 61.4 | Low | 59.7 | Low | 138 Ų | 138 | 122.6 Ų | 122.6 | 65% | 0.645 | 66% | 0.664 | S | S | * | * | | | trans | -87.6 | 124.2 | 178.7 | -101 | -72.6 | 162.7 | 0 | 0 | 109.1 | R27 R31 | R27-E29 PolarHBondContact O-N 3.08Å; E29-R31 PolarHBondContact O-N 3.21Å |
| 30 | P | 59.7 | Low | 59.7 | Low | 98 Ų | 98 | 123.2 Ų | 123.2 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | | | trans | -59.1 | 107.3 | 169.8 | 25.1 | -32.2 | 0 | 0 | 0 | 108 | I32 | P30-I32 VanDerWaalsContact C-N 3.34Å; P30-I32 PolarHBondContact O-N 3.25Å |
| 31 | R | 63.3 | Low | 59.6 | Low | 241 Ų | 241 | 123.9 Ų | 123.9 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | | | trans | -26.9 | 92 | 172.2 | 55.1 | -165.5 | -77.9 | -169.7 | -1.4 | 111.2 | E29 Q33 | E29-R31 PolarHBondContact O-N 3.21Å; R31-Q33 PolarHBondContact O-N 2.97Å |
| 32 | I | 54.3 | Low | 59.4 | Low | 138 Ų | 138 | 120.7 Ų | 120.7 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | | | trans | -57.7 | 109.5 | 178.9 | -69.3 | -67 | 0 | 0 | 0 | 105.4 | P30 T34 | P30-I32 VanDerWaalsContact C-N 3.34Å; P30-I32 PolarHBondContact O-N 3.25Å; I32-T34 VanDerWaalsContact C-N 3.29Å; I32-T34 PolarHBondContact O-N 3.43Å |
| 33 | Q | 59.2 | Low | 59.4 | Low | 169 Ų | 169 | 118.5 Ų | 118.5 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | | | trans | -61.6 | 101.6 | 169.9 | 178.5 | -179.8 | 74.6 | 0 | 0 | 104.7 | R31 L35 | R31-Q33 PolarHBondContact O-N 2.97Å; Q33-L35 PolarHBondContact O-N 3.18Å |
| 34 | T | 61.7 | Low | 59.4 | Low | 117 Ų | 117 | 122.3 Ų | 122.3 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | | | trans | -57.1 | 109.5 | 176 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | I32 | I32-T34 VanDerWaalsContact C-N 3.29Å; I32-T34 PolarHBondContact O-N 3.43Å |
| 35 | L | 63.1 | Low | 59.6 | Low | 135 Ų | 135 | 130 Ų | 130 | 71% | 0.707 | 73% | 0.728 | S | S | * | * | | | trans | -55.7 | 139.6 | 171.2 | -71.4 | 165.1 | 0 | 0 | 0 | 107.1 | Q33 V37 | Q33-L35 PolarHBondContact O-N 3.18Å; L35-V37 PolarHBondContact O-N 3.01Å |
| 36 | P | 60.5 | Low | 59.6 | Low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | trans | -57.6 | 111.7 | 174.3 | 23.5 | -30.6 | 0 | 0 | 0 | 107.6 | A38 | P36-A38 PolarHBondContact O-N 3.29Š|
| 37 | V | 62.6 | Low | 59.9 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | | | trans | -63.7 | 92.8 | 166 | 171.5 | 0 | 0 | 0 | 0 | 104.9 | L35 S39 | L35-V37 PolarHBondContact O-N 3.01Å; V37-S39 VanDerWaalsContact CG1-OG 3.24Å; V37-S39 WeakPolarHBondContact CG1-OG 3.49Å; V37-S39 PolarHBondContact O-N 3.4Å |
| 38 | A | 60.9 | Low | 60.1 | Low | 98 Ų | 98 | 125.4 Ų | 125.4 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | | | trans | -65.7 | 74.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | P36 A40 | P36-A38 PolarHBondContact O-N 3.29Å; A38-A40 PolarHBondContact O-N 3.32Å |
| 39 | S | 57.8 | Low | 60.2 | Low | 75 Ų | 75 | 127.1 Ų | 127.1 | 52% | 0.524 | 72% | 0.723 | S | S | . | * | | | trans | -64.3 | 94.6 | 153.6 | -74.8 | 0 | 0 | 0 | 0 | 104 | V37 L41 | V37-S39 VanDerWaalsContact CG1-OG 3.24Å; V37-S39 WeakPolarHBondContact CG1-OG 3.49Å; V37-S39 PolarHBondContact O-N 3.4Å; S39-L41 PolarHBondContact O-N 3Å |
| 40 | A | 60 | Low | 60.4 | Low | 97 Ų | 97 | 124.8 Ų | 124.8 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | | | trans | -52.2 | 78.4 | 139.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | A38 S42 | A38-A40 PolarHBondContact O-N 3.32Å; A40-S42 PolarHBondContact O-N 2.78Å |
| 41 | L | 58.3 | Low | 60.7 | Low | 151 Ų | 151 | 127.4 Ų | 127.4 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | | | trans | -63.2 | 90.4 | 160.4 | -71.1 | 176.7 | 0 | 0 | 0 | 102.7 | S39 S43 | S39-L41 PolarHBondContact O-N 3Å; L41-S43 PolarHBondContact O-N 3.46Å; L41-S43 VanDerWaalsContact O-N 3.15Å |
| 42 | S | 54.9 | Low | 60.5 | Low | 102 Ų | 102 | 118.4 Ų | 118.4 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | | | trans | -25.5 | 120.7 | 163.1 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | A40 H44 | A40-S42 PolarHBondContact O-N 2.78Å; S42-H44 PolarHBondContact O-N 2.91Å |
| 43 | S | 57 | Low | 60.9 | Low | 112 Ų | 112 | 116 Ų | 116 | 78% | 0.783 | 70% | 0.695 | S | S | * | * | | | trans | -52 | 72.8 | 173.8 | -65 | 0 | 0 | 0 | 0 | 110.3 | L41 R45 | L41-S43 PolarHBondContact O-N 3.46Å; L41-S43 VanDerWaalsContact O-N 3.15Å; S43-R45 PolarHBondContact O-N 3.47Å |
| 44 | H | 58 | Low | 61 | Low | 156 Ų | 156 | 113.1 Ų | 113.1 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | | | trans | -80.2 | 86.1 | 164.6 | -131.2 | -19.5 | 0 | 0 | 0 | 103.5 | S42 T46 | S42-H44 PolarHBondContact O-N 2.91Å; H44-T46 PolarHBondContact O-N 3.27Å; H44-T46 PolarHBondContact O-OG1 3.48Å |
| 45 | R | 62.3 | Low | 61.1 | Low | 228 Ų | 228 | 115.2 Ų | 115.2 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | | | trans | -58.6 | 82.4 | 152.5 | -68 | -169.7 | 173.4 | -154.9 | -0.7 | 106.1 | S43 G47 | S43-R45 PolarHBondContact O-N 3.47Å; R45-G47 PolarHBondContact O-N 3.06Å |
| 46 | T | 59.3 | Low | 61.3 | Low | 128 Ų | 128 | 117.4 Ų | 117.4 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | | | trans | -67.3 | 45.1 | 148.5 | 35.3 | 0 | 0 | 0 | 0 | 108.7 | H44 | H44-T46 PolarHBondContact O-N 3.27Å; H44-T46 PolarHBondContact O-OG1 3.48Å |
| 47 | G | 61.2 | Low | 61.9 | Low | 45 Ų | 45 | 121.4 Ų | 121.4 | 46% | 0.464 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 148.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | R45 | R45-G47 PolarHBondContact O-N 3.06Š|
| 48 | P | 64.2 | Low | 62.1 | Low | 94 Ų | 94 | 125.3 Ų | 125.3 | 61% | 0.61 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 139.3 | 175.3 | 22.5 | -32 | 0 | 0 | 0 | 108.9 | I51 | P48-I51 HydrophobicContact CB-CD1 4.23Å; P48-I51 HydrophobicContact CB-CG1 4.33Å; P48-I51 HydrophobicContact CG-CD1 4.18Å |
| 49 | P | 63.9 | Low | 62.2 | Low | 110 Ų | 110 | 129.6 Ų | 129.6 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -51.4 | 141.4 | 175.1 | 24 | -33.1 | 0 | 0 | 0 | 107.8 | I51 | P49-I51 PolarHBondContact O-N 2.63Š|
| 50 | P | 67 | Low | 62.4 | Low | 89 Ų | 89 | 132.4 Ų | 132.4 | 58% | 0.578 | 74% | 0.738 | S | S | * | * | | | trans | -48.7 | 112.6 | -165.9 | 17 | -30.9 | 0 | 0 | 0 | 110.3 | S52 K55 | P50-S52 PolarHBondContact O-N 3.28Å; P50-K55 HydrophobicContact CG-CG 4.28Å |
| 51 | I | 64.5 | Low | 62.5 | Low | 154 Ų | 154 | 134.2 Ų | 134.2 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | | | trans | -75.4 | 44 | 174.6 | -39.9 | 171.2 | 0 | 0 | 0 | 108.3 | P48 P49 | P48-I51 HydrophobicContact CB-CD1 4.23Å; P48-I51 HydrophobicContact CB-CG1 4.33Å; P48-I51 HydrophobicContact CG-CD1 4.18Å; P49-I51 PolarHBondContact O-N 2.63Å |
| 52 | S | 60.8 | Low | 62.8 | Low | 52 Ų | 52 | 133.3 Ų | 133.3 | 36% | 0.364 | 73% | 0.732 | S | S | . | * | | | trans | -94.3 | 129.4 | 178.7 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | P50 S54 K55 | P50-S52 PolarHBondContact O-N 3.28Å; S52-S54 PolarHBondContact O-N 3.39Å; S52-K55 PolarHBondContact O-N 3.2Å |
| 53 | P | 61.2 | Low | 63.2 | Low | 88 Ų | 88 | 135.1 Ų | 135.1 | 57% | 0.571 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -50.3 | -31.9 | 176.9 | -26.3 | 33.1 | 0 | 0 | 0 | 113.1 | K55 R56 | P53-K55 PolarHBondContact O-N 3.41Å; P53-R56 PolarHBondContact O-N 2.96Å |
| 54 | S | 61.6 | Low | 63.6 | Low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -68.6 | -10.4 | -178.6 | -52 | 0 | 0 | 0 | 0 | 115 | S52 | S52-S54 PolarHBondContact O-N 3.39Š|
| 55 | K | 63.4 | Low | 64 | Low | 160 Ų | 160 | 135.3 Ų | 135.3 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -99.3 | -5.1 | 176.7 | -72.2 | -81.2 | -176.8 | 178.8 | 0 | 113.4 | P50 S52 P53 K57 | P50-K55 HydrophobicContact CG-CG 4.28Å; S52-K55 PolarHBondContact O-N 3.2Å; P53-K55 PolarHBondContact O-N 3.41Å; K55-K57 PolarHBondContact O-N 3.32Å |
| 56 | R | 68.8 | Low | 64.1 | Low | 182 Ų | 182 | 128.6 Ų | 128.6 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -75.4 | 119.5 | 168.7 | -72.8 | -174.3 | -60.8 | -179.3 | 1.8 | 108.8 | P53 F58 | P53-R56 PolarHBondContact O-N 2.96Å; R56-F58 PolarHBondContact O-N 3.36Å |
| 57 | K | 72.6 | Confident | 64.5 | Low | 203 Ų | 203 | 128.7 Ų | 128.7 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 124.1 | 163.8 | -72.6 | 178.1 | 178.4 | -76.5 | 0 | 106.9 | K55 S59 | K55-K57 PolarHBondContact O-N 3.32Å; K57-S59 PolarHBondContact O-N 2.94Å |
| 58 | F | 67 | Low | 64.7 | Low | 200 Ų | 200 | 135.7 Ų | 135.7 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 126.9 | 174.9 | -62.3 | -83.6 | 0 | 0 | 0 | 108.6 | R56 | R56-F58 PolarHBondContact O-N 3.36Š|
| 59 | S | 62 | Low | 64.8 | Low | 188 Ų | 188 | 139.5 Ų | 139.5 | 100% | 1.315 | 75% | 0.748 | S | S | * | * | | | trans | -93.8 | 0 | 167.1 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | K57 | K57-S59 PolarHBondContact O-N 2.94Š|