| 1 | M | 39.8 | Very low | 63.8 | Low | 241 Ų | 241 | 131.7 Ų | 131.7 | 100% | 1.187 | 76% | 0.755 | S | S | * | * | | | | 0 | 111.5 | 0 | -142.3 | 171.9 | -163.5 | 0 | 0 | 107.2 | S3 | M1-S3 PolarHBondContact O-N 3.26Š|
| 2 | A | 66.9 | Low | 65.3 | Low | 104 Ų | 104 | 123.8 Ų | 123.8 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | | | trans | -80.3 | 106.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | K4 | A2-K4 PolarHBondContact O-N 3.4Š|
| 3 | S | 68 | Low | 66.5 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | | | trans | -59.3 | 121 | 171.5 | -47.1 | 0 | 0 | 0 | 0 | 107.9 | M1 | M1-S3 PolarHBondContact O-N 3.26Š|
| 4 | K | 66.3 | Low | 67.5 | Low | 195 Ų | 195 | 122.4 Ų | 122.4 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | | | trans | -45.3 | 129.7 | 172.8 | -78.4 | 173.4 | 175.1 | 171.2 | 0 | 108.1 | A2 A6 | A2-K4 PolarHBondContact O-N 3.4Å; K4-A6 VanDerWaalsContact O-N 3.11Å; K4-A6 PolarHBondContact O-N 2.95Å |
| 5 | P | 64.4 | Low | 68.6 | Low | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 70% | 0.695 | S | S | * | * | | | trans | -56 | 126.8 | 177.3 | 22.4 | -30.9 | 0 | 0 | 0 | 107.3 | A7 | P5-A7 PolarHBondContact O-N 3.05Š|
| 6 | A | 67.2 | Low | 69.6 | Low | 74 Ų | 74 | 129.2 Ų | 129.2 | 61% | 0.612 | 70% | 0.695 | S | S | * | * | | | trans | -43 | 118.6 | -179 | 0 | 0 | 0 | 0 | 0 | 108.8 | K4 G8 | K4-A6 VanDerWaalsContact O-N 3.11Å; K4-A6 PolarHBondContact O-N 2.95Å; A6-G8 PolarHBondContact O-N 3.4Å |
| 7 | A | 61.6 | Low | 70.5 | Confident | 104 Ų | 104 | 131 Ų | 131 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 106.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | P5 | P5-A7 PolarHBondContact O-N 3.05Š|
| 8 | G | 61.5 | Low | 71.4 | Confident | 25 Ų | 25 | 127.8 Ų | 127.8 | 26% | 0.258 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 151.8 | -3 | -178 | 0 | 0 | 0 | 0 | 0 | 118 | A6 S10 E13 | A6-G8 PolarHBondContact O-N 3.4Å; G8-S10 PolarHBondContact O-N 3.48Å; G8-E13 WeakPolarHBondContact CA-OE1 3.41Å; G8-E13 WeakPolarHBondContact CA-OE2 3.35Å |
| 9 | K | 65.3 | Low | 72.2 | Confident | 190 Ų | 190 | 126.3 Ų | 126.3 | 83% | 0.826 | 67% | 0.672 | S | S | * | * | | | trans | -86.4 | 21.4 | 169.2 | -60 | -172.6 | -178.1 | -176 | 0 | 113.8 | | |
| 10 | S | 70 | Confident | 72.8 | Confident | 77 Ų | 77 | 125.2 Ų | 125.2 | 54% | 0.538 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -84 | 138.8 | 172.5 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | G8 G12 E13 K14 | G8-S10 PolarHBondContact O-N 3.48Å; S10-G12 PolarHBondContact O-N 2.95Å; S10-G12 VanDerWaalsContact O-N 3.07Å; S10-G12 PolarHBondContact OG-N 3.28Å; S10-E13 PolarHBondContact O-N 3.47Å; S10-K14 PolarHBondContact O-N 3.48Å; S10-K14 VanDerWaalsContact O-N 3.15Å |
| 11 | R | 70.7 | Confident | 73.3 | Confident | 218 Ų | 218 | 123.1 Ų | 123.1 | 82% | 0.823 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -52 | -32 | 174 | -77 | -178.2 | 171.2 | 141.2 | -3 | 112.1 | R15 | R11-R15 WeakPolarHBondContact O-CG 3.36Å; R11-R15 PolarHBondContact O-N 3.38Å |
| 12 | G | 81.6 | Confident | 75.4 | Confident | 36 Ų | 36 | 117.3 Ų | 117.3 | 37% | 0.371 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.5 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | S10 R15 K16 | S10-G12 PolarHBondContact O-N 2.95Å; S10-G12 VanDerWaalsContact O-N 3.07Å; S10-G12 PolarHBondContact OG-N 3.28Å; G12-R15 PolarHBondContact O-N 3.42Å; G12-K16 WeakPolarHBondContact O-CG 3.29Å; G12-K16 PolarHBondContact O-N 2.99Å |
| 13 | E | 81.2 | Confident | 76.2 | Confident | 76 Ų | 76 | 120.7 Ų | 120.7 | 36% | 0.355 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.6 | -39.1 | 177.8 | -167.7 | 179.4 | 108.1 | 0 | 0 | 111.7 | G8 S10 R15 K16 R17 | G8-E13 WeakPolarHBondContact CA-OE1 3.41Å; G8-E13 WeakPolarHBondContact CA-OE2 3.35Å; S10-E13 PolarHBondContact O-N 3.47Å; E13-R15 VanDerWaalsContact C-N 3.3Å; E13-R15 PolarHBondContact O-N 3.06Å; E13-K16 PolarHBondContact O-N 3.39Å; E13-R17 WeakPolarHBondContact O-CB 3.41Å; E13-R17 PolarHBondContact O-N 3.15Å; E13-R17 IonicContact OE1-NH2 3.77Å |
| 14 | K | 80.4 | Confident | 76.7 | Confident | 153 Ų | 153 | 123.1 Ų | 123.1 | 67% | 0.665 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.1 | -43 | 172.6 | -172.9 | 175.2 | -179.2 | 178.5 | 0 | 111.4 | S10 R17 V18 | S10-K14 PolarHBondContact O-N 3.48Å; S10-K14 VanDerWaalsContact O-N 3.15Å; K14-R17 PolarHBondContact O-N 3.36Å; K14-V18 PolarHBondContact O-N 3.07Å; K14-V18 VanDerWaalsContact O-CG2 3.29Å; K14-V18 WeakPolarHBondContact O-CG2 3.28Å |
| 15 | R | 84.1 | Confident | 76.1 | Confident | 192 Ų | 192 | 124.9 Ų | 124.9 | 73% | 0.725 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.5 | -46.7 | 175.3 | -76.5 | -179.6 | 179.3 | -173 | 0.3 | 112.1 | R11 G12 E13 R17 V18 V19 | R11-R15 WeakPolarHBondContact O-CG 3.36Å; R11-R15 PolarHBondContact O-N 3.38Å; G12-R15 PolarHBondContact O-N 3.42Å; E13-R15 VanDerWaalsContact C-N 3.3Å; E13-R15 PolarHBondContact O-N 3.06Å; R15-R17 VanDerWaalsContact C-N 3.31Å; R15-R17 PolarHBondContact O-N 3.15Å; R15-V18 PolarHBondContact O-N 2.95Å; R15-V19 WeakPolarHBondContact O-CG2 3.43Å; R15-V19 PolarHBondContact O-N 3.24Å |
| 16 | K | 85.1 | Confident | 76.6 | Confident | 161 Ų | 161 | 125.7 Ų | 125.7 | 70% | 0.7 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -58.2 | -43.2 | 176.7 | -73.2 | 178.7 | -179.9 | -172.1 | 0 | 111.8 | G12 E13 V19 L20 | G12-K16 WeakPolarHBondContact O-CG 3.29Å; G12-K16 PolarHBondContact O-N 2.99Å; E13-K16 PolarHBondContact O-N 3.39Å; K16-V19 PolarHBondContact O-N 2.97Å; K16-L20 WeakPolarHBondContact O-CB 3.38Å; K16-L20 PolarHBondContact O-N 2.85Å |
| 17 | R | 84.6 | Confident | 77.1 | Confident | 160 Ų | 160 | 128.4 Ų | 128.4 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.8 | -49.2 | 176.1 | -171.7 | -175.6 | -61 | -144.2 | 0.3 | 111.7 | E13 K14 R15 V19 L20 T21 | E13-R17 WeakPolarHBondContact O-CB 3.41Å; E13-R17 PolarHBondContact O-N 3.15Å; E13-R17 IonicContact OE1-NH2 3.77Å; K14-R17 PolarHBondContact O-N 3.36Å; R15-R17 VanDerWaalsContact C-N 3.31Å; R15-R17 PolarHBondContact O-N 3.15Å; R17-V19 PolarHBondContact O-N 2.96Å; R17-L20 PolarHBondContact O-N 3Å; R17-T21 PolarHBondContact O-N 3.39Å; R17-T21 PolarHBondContact O-OG1 3.03Å |
| 18 | V | 85.6 | Confident | 78 | Confident | 74 Ų | 74 | 129.8 Ų | 129.8 | 45% | 0.448 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.1 | -45.3 | 179.1 | 172 | 0 | 0 | 0 | 0 | 111.4 | K14 R15 L20 T21 L22 | K14-V18 PolarHBondContact O-N 3.07Å; K14-V18 VanDerWaalsContact O-CG2 3.29Å; K14-V18 WeakPolarHBondContact O-CG2 3.28Å; R15-V18 PolarHBondContact O-N 2.95Å; V18-L20 PolarHBondContact O-N 3.46Å; V18-T21 PolarHBondContact O-N 2.88Å; V18-L22 HydrophobicContact CG1-CD1 3.76Å; V18-L22 HydrophobicContact CG1-CG 4.3Å; V18-L22 WeakPolarHBondContact O-CB 3.42Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.12Å; V18-L22 PolarHBondContact O-N 3.32Å |
| 19 | V | 86.6 | Confident | 79 | Confident | 98 Ų | 98 | 135.9 Ų | 135.9 | 59% | 0.594 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.9 | -43.6 | 178 | 172 | 0 | 0 | 0 | 0 | 111.4 | R15 K16 R17 L22 K23 | R15-V19 WeakPolarHBondContact O-CG2 3.43Å; R15-V19 PolarHBondContact O-N 3.24Å; K16-V19 PolarHBondContact O-N 2.97Å; R17-V19 PolarHBondContact O-N 2.96Å; V19-L22 PolarHBondContact O-N 2.95Å; V19-K23 WeakPolarHBondContact O-CB 2.96Å; V19-K23 PolarHBondContact O-N 3.34Å |
| 20 | L | 85.5 | Confident | 79.8 | Confident | 104 Ų | 104 | 132.6 Ų | 132.6 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.6 | -48.5 | 177.4 | -173.2 | 68.3 | 0 | 0 | 0 | 111.2 | K16 R17 V18 L22 K23 E24 | K16-L20 WeakPolarHBondContact O-CB 3.38Å; K16-L20 PolarHBondContact O-N 2.85Å; R17-L20 PolarHBondContact O-N 3Å; V18-L20 PolarHBondContact O-N 3.46Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.11Å; L20-K23 PolarHBondContact O-N 3.21Å; L20-K23 VanDerWaalsContact O-N 3.15Å; L20-E24 PolarHBondContact O-N 3.32Å |
| 21 | T | 83 | Confident | 80.5 | Confident | 83 Ų | 83 | 136.3 Ų | 136.3 | 51% | 0.509 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.8 | -31.5 | 179.7 | -54.3 | 0 | 0 | 0 | 0 | 113.3 | R17 V18 | R17-T21 PolarHBondContact O-N 3.39Å; R17-T21 PolarHBondContact O-OG1 3.03Å; V18-T21 PolarHBondContact O-N 2.88Å |
| 22 | L | 84.5 | Confident | 81.2 | Confident | 119 Ų | 119 | 130.4 Ų | 130.4 | 62% | 0.623 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.7 | -24.9 | 175.3 | -71.7 | 174 | 0 | 0 | 0 | 113.1 | V18 V19 L20 | V18-L22 HydrophobicContact CG1-CD1 3.76Å; V18-L22 HydrophobicContact CG1-CG 4.3Å; V18-L22 WeakPolarHBondContact O-CB 3.42Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.12Å; V18-L22 PolarHBondContact O-N 3.32Å; V19-L22 PolarHBondContact O-N 2.95Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.11Å |
| 23 | K | 83.6 | Confident | 81.2 | Confident | 174 Ų | 174 | 137.7 Ų | 137.7 | 76% | 0.757 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.2 | -28.4 | 178.9 | -171 | -175 | 175.9 | -167.8 | 0 | 112.6 | V19 L20 K25 | V19-K23 WeakPolarHBondContact O-CB 2.96Å; V19-K23 PolarHBondContact O-N 3.34Å; L20-K23 PolarHBondContact O-N 3.21Å; L20-K23 VanDerWaalsContact O-N 3.15Å; K23-K25 VanDerWaalsContact C-N 3.32Å |
| 24 | E | 77.5 | Confident | 81.1 | Confident | 163 Ų | 163 | 142.8 Ų | 142.8 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | | | trans | -89.2 | 4 | -179.8 | -61.5 | -161.3 | 150.1 | 0 | 0 | 113.8 | L20 | L20-E24 PolarHBondContact O-N 3.32Š|
| 25 | K | 53.3 | Low | 81.2 | Confident | 233 Ų | 233 | 141.9 Ų | 141.9 | 100% | 1.013 | 66% | 0.662 | S | S | * | * | | | trans | -107 | 0 | 167.2 | -81 | -170.5 | 172 | -169.9 | 0 | 110.1 | K23 | K23-K25 VanDerWaalsContact C-N 3.32Š|