| 1 | M | 66.2 | Low | 91.6 | Very high | 200 Ų | 200 | 147.3 Ų | 147.3 | 99% | 0.985 | 64% | 0.641 | S | S | * | * | | | | 0 | 131.6 | 0 | -80.4 | -163.6 | -122 | 0 | 0 | 110.5 | A3 | M1-A3 PolarHBondContact O-N 3.31Š|
| 2 | R | 84.2 | Confident | 92.2 | Very high | 188 Ų | 188 | 148.8 Ų | 148.8 | 71% | 0.709 | 64% | 0.64 | S | S | * | * | | | trans | -53.1 | 123.8 | 177.7 | -137.6 | 172.9 | 179.3 | 170.4 | -1.1 | 110.4 | K4 W5 R6 | R2-K4 PolarHBondContact O-N 3.15Å; R2-W5 WeakPolarHBondContact O-CB 3.48Å; R2-W5 HydrophobicContact CB-CG 4.28Å; R2-W5 PolarHBondContact O-N 3.27Å; R2-R6 PolarHBondContact O-N 3.03Å |
| 3 | A | 90.8 | Very high | 92.6 | Very high | 82 Ų | 82 | 143.2 Ų | 143.2 | 68% | 0.678 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -51.8 | -35.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 W5 R6 K7 | M1-A3 PolarHBondContact O-N 3.31Å; A3-W5 VanDerWaalsContact C-N 3.34Å; A3-W5 PolarHBondContact O-N 3.23Å; A3-R6 PolarHBondContact O-N 2.95Å; A3-K7 PolarHBondContact O-N 3.28Å |
| 4 | K | 93.9 | Very high | 93 | Very high | 164 Ų | 164 | 142.6 Ų | 142.6 | 71% | 0.713 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -55.2 | -43.9 | 173.6 | -169.5 | 176.4 | -176 | 176.5 | 0 | 112.7 | R2 K7 K8 | R2-K4 PolarHBondContact O-N 3.15Å; K4-K7 PolarHBondContact O-N 3.09Å; K4-K8 PolarHBondContact O-N 3Å |
| 5 | W | 93.4 | Very high | 93.4 | Very high | 147 Ų | 147 | 145.7 Ų | 145.7 | 56% | 0.557 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.1 | -39.6 | 179.1 | -62.8 | 126.9 | 0 | 0 | 0 | 111.8 | R2 A3 K7 K8 R9 | R2-W5 WeakPolarHBondContact O-CB 3.48Å; R2-W5 HydrophobicContact CB-CG 4.28Å; R2-W5 PolarHBondContact O-N 3.27Å; A3-W5 VanDerWaalsContact C-N 3.34Å; A3-W5 PolarHBondContact O-N 3.23Å; W5-K7 PolarHBondContact O-N 3.34Å; W5-K8 HydrophobicContact CE3-CD 4.22Å; W5-K8 HydrophobicContact CZ3-CD 4.11Å; W5-K8 PolarHBondContact O-N 3.32Å; W5-R9 PolarHBondContact O-N 3.34Å |
| 6 | R | 95.3 | Very high | 93.7 | Very high | 183 Ų | 183 | 146 Ų | 146 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.5 | -45.2 | 173.9 | -165.1 | 176.1 | -177.5 | -175.2 | -1.1 | 110.9 | R2 A3 K8 R9 M10 | R2-R6 PolarHBondContact O-N 3.03Å; A3-R6 PolarHBondContact O-N 2.95Å; R6-K8 PolarHBondContact O-N 3.04Å; R6-R9 PolarHBondContact O-N 2.94Å; R6-M10 WeakPolarHBondContact O-CG 3.49Å; R6-M10 PolarHBondContact O-N 3.08Å |
| 7 | K | 96.4 | Very high | 93.9 | Very high | 131 Ų | 131 | 147.9 Ų | 147.9 | 57% | 0.57 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.6 | -41.9 | 175.4 | -166.9 | 172.5 | -174.6 | 172.8 | 0 | 112 | A3 K4 W5 M10 R11 | A3-K7 PolarHBondContact O-N 3.28Å; K4-K7 PolarHBondContact O-N 3.09Å; W5-K7 PolarHBondContact O-N 3.34Å; K7-M10 PolarHBondContact O-N 3.38Å; K7-R11 WeakPolarHBondContact O-CG 3.43Å; K7-R11 PolarHBondContact O-N 3Å |
| 8 | K | 96.6 | Very high | 94.2 | Very high | 100 Ų | 100 | 149.7 Ų | 149.7 | 44% | 0.435 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.2 | -43.3 | 176.2 | -167.1 | 173.3 | -177.1 | 176.5 | 0 | 111.9 | K4 W5 R6 R11 R12 | K4-K8 PolarHBondContact O-N 3Å; W5-K8 HydrophobicContact CE3-CD 4.22Å; W5-K8 HydrophobicContact CZ3-CD 4.11Å; W5-K8 PolarHBondContact O-N 3.32Å; R6-K8 PolarHBondContact O-N 3.04Å; K8-R11 PolarHBondContact O-N 3.43Å; K8-R12 PolarHBondContact O-N 2.97Å |
| 9 | R | 96.8 | Very high | 94.4 | Very high | 169 Ų | 169 | 149.4 Ų | 149.4 | 64% | 0.638 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.9 | -46 | 175.6 | -171.1 | 176 | -179.9 | 174.5 | 2.4 | 111.4 | W5 R6 R11 R12 L13 | W5-R9 PolarHBondContact O-N 3.34Å; R6-R9 PolarHBondContact O-N 2.94Å; R9-R11 PolarHBondContact O-N 3.22Å; R9-R12 PolarHBondContact O-N 3.3Å; R9-L13 PolarHBondContact O-N 3.32Å |
| 10 | M | 96.7 | Very high | 94.6 | Very high | 99 Ų | 99 | 147.8 Ų | 147.8 | 49% | 0.488 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.1 | -39.7 | 176.5 | -68.8 | -57.3 | -72.8 | 0 | 0 | 112.7 | R6 K7 R12 L13 K14 | R6-M10 WeakPolarHBondContact O-CG 3.49Å; R6-M10 PolarHBondContact O-N 3.08Å; K7-M10 PolarHBondContact O-N 3.38Å; M10-R12 PolarHBondContact O-N 3.05Å; M10-L13 PolarHBondContact O-N 3.34Å; M10-L13 HydrophobicContact SD-CD1 4.14Å; M10-K14 WeakPolarHBondContact O-CG 3.4Å; M10-K14 PolarHBondContact O-N 3.39Å |
| 11 | R | 97.7 | Very high | 94.7 | Very high | 157 Ų | 157 | 149.6 Ų | 149.6 | 59% | 0.592 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61 | -42.5 | 173.8 | -77.1 | 179.4 | 176 | -179.5 | -2.4 | 112.1 | K7 K8 R9 K14 R15 | K7-R11 WeakPolarHBondContact O-CG 3.43Å; K7-R11 PolarHBondContact O-N 3Å; K8-R11 PolarHBondContact O-N 3.43Å; R9-R11 PolarHBondContact O-N 3.22Å; R11-K14 PolarHBondContact O-N 3.4Å; R11-R15 WeakPolarHBondContact O-CG 3.49Å; R11-R15 PolarHBondContact O-N 3.22Å |
| 12 | R | 97.9 | Very high | 96.2 | Very high | 165 Ų | 165 | 146.8 Ų | 146.8 | 62% | 0.623 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.9 | -43.6 | 175.7 | -72.1 | -179.4 | 174.7 | 177.1 | -3.2 | 111.9 | K8 R9 M10 R15 K16 | K8-R12 PolarHBondContact O-N 2.97Å; R9-R12 PolarHBondContact O-N 3.3Å; M10-R12 PolarHBondContact O-N 3.05Å; R12-R15 PolarHBondContact O-N 3.47Å; R12-K16 PolarHBondContact O-N 3.01Å |
| 13 | L | 98.1 | Very high | 96.8 | Very high | 77 Ų | 77 | 148.2 Ų | 148.2 | 40% | 0.403 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -60.9 | -48.1 | 175.8 | -81.1 | 166.6 | 0 | 0 | 0 | 112.2 | R9 M10 R15 K16 R17 | R9-L13 PolarHBondContact O-N 3.32Å; M10-L13 PolarHBondContact O-N 3.34Å; M10-L13 HydrophobicContact SD-CD1 4.14Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 3.46Å; L13-K16 PolarHBondContact O-N 3.39Å; L13-R17 PolarHBondContact O-N 2.86Å |
| 14 | K | 98.2 | Very high | 97 | Very high | 134 Ų | 134 | 149.4 Ų | 149.4 | 58% | 0.583 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -59.4 | -40.5 | 176.6 | -72.8 | -172.4 | 178.5 | -171.1 | 0 | 111.9 | M10 R11 R17 R18 | M10-K14 WeakPolarHBondContact O-CG 3.4Å; M10-K14 PolarHBondContact O-N 3.39Å; R11-K14 PolarHBondContact O-N 3.4Å; K14-R17 PolarHBondContact O-N 3.01Å; K14-R18 WeakPolarHBondContact O-CG 3.43Å; K14-R18 PolarHBondContact O-N 3.49Å |
| 15 | R | 98.4 | Very high | 96.8 | Very high | 189 Ų | 189 | 151.7 Ų | 151.7 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.8 | -44.3 | 175.3 | -78 | -176.3 | 177.6 | -178.7 | -2 | 112.6 | R11 R12 L13 R18 K19 | R11-R15 WeakPolarHBondContact O-CG 3.49Å; R11-R15 PolarHBondContact O-N 3.22Å; R12-R15 PolarHBondContact O-N 3.47Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 3.46Å; R15-R18 PolarHBondContact O-N 2.96Å; R15-K19 PolarHBondContact O-N 2.95Å; R15-K19 VanDerWaalsContact O-N 3.08Å |
| 16 | K | 98.2 | Very high | 96.9 | Very high | 151 Ų | 151 | 152 Ų | 152 | 66% | 0.657 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.4 | -47.9 | 175.2 | -77.4 | -170.3 | 173.9 | -169.9 | 0 | 111.5 | R12 L13 R18 K19 M20 | R12-K16 PolarHBondContact O-N 3.01Å; L13-K16 PolarHBondContact O-N 3.39Å; K16-R18 VanDerWaalsContact C-N 3.34Å; K16-R18 PolarHBondContact O-N 2.98Å; K16-K19 PolarHBondContact O-N 3.44Å; K16-M20 PolarHBondContact O-N 2.93Å; K16-M20 WeakPolarHBondContact O-CG 3.35Å |
| 17 | R | 98.3 | Very high | 97 | Very high | 178 Ų | 178 | 150.3 Ų | 150.3 | 67% | 0.672 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.2 | -40.5 | 177.3 | -70.8 | -176.2 | -177.9 | 176.8 | -0.2 | 112.7 | L13 K14 M20 R21 | L13-R17 PolarHBondContact O-N 2.86Å; K14-R17 PolarHBondContact O-N 3.01Å; R17-M20 HydrophobicContact CG-CE 4.42Å; R17-M20 PolarHBondContact O-N 3.25Å; R17-R21 WeakPolarHBondContact O-CB 3.47Å; R17-R21 PolarHBondContact O-N 3.31Å |
| 18 | R | 98 | Very high | 97.1 | Very high | 181 Ų | 181 | 151.4 Ų | 151.4 | 68% | 0.683 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.2 | -45.4 | 175.1 | -76.4 | -178.3 | -177.5 | 179.3 | -1.9 | 112.1 | K14 R15 K16 R21 Q22 | K14-R18 WeakPolarHBondContact O-CG 3.43Å; K14-R18 PolarHBondContact O-N 3.49Å; R15-R18 PolarHBondContact O-N 2.96Å; K16-R18 VanDerWaalsContact C-N 3.34Å; K16-R18 PolarHBondContact O-N 2.98Å; R18-R21 PolarHBondContact O-N 2.89Å; R18-Q22 WeakPolarHBondContact O-CG 3.4Å; R18-Q22 PolarHBondContact O-N 3.46Å |
| 19 | K | 98.1 | Very high | 97.1 | Very high | 143 Ų | 143 | 154.4 Ų | 154.4 | 62% | 0.622 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.6 | -43.3 | 176.2 | -74.5 | -172 | 173.2 | -167.3 | 0 | 112.4 | R15 K16 Q22 R23 | R15-K19 PolarHBondContact O-N 2.95Å; R15-K19 VanDerWaalsContact O-N 3.08Å; K16-K19 PolarHBondContact O-N 3.44Å; K19-Q22 PolarHBondContact O-N 3.25Å; K19-R23 PolarHBondContact O-N 3.05Å; K19-R23 VanDerWaalsContact O-N 3.15Å |
| 20 | M | 98.1 | Very high | 97.1 | Very high | 117 Ų | 117 | 153.5 Ų | 153.5 | 58% | 0.576 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.9 | -46 | 176.3 | -65.9 | -168.6 | -51.1 | 0 | 0 | 111.2 | K16 R17 Q22 R23 S24 | K16-M20 PolarHBondContact O-N 2.93Å; K16-M20 WeakPolarHBondContact O-CG 3.35Å; R17-M20 HydrophobicContact CG-CE 4.42Å; R17-M20 PolarHBondContact O-N 3.25Å; M20-Q22 PolarHBondContact O-N 3.44Å; M20-R23 PolarHBondContact O-N 3.48Å; M20-S24 PolarHBondContact O-N 2.96Å; M20-S24 VanDerWaalsContact O-N 3.09Å; M20-S24 PolarHBondContact O-OG 3.35Å |
| 21 | R | 97.8 | Very high | 97.1 | Very high | 186 Ų | 186 | 157.1 Ų | 157.1 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -62.2 | -31.2 | 177.2 | -167.8 | 174.7 | -174.5 | -176.1 | 1.6 | 113.1 | R17 R18 K25 | R17-R21 WeakPolarHBondContact O-CB 3.47Å; R17-R21 PolarHBondContact O-N 3.31Å; R18-R21 PolarHBondContact O-N 2.89Å; R21-K25 PolarHBondContact O-N 3.26Å |
| 22 | Q | 97.4 | Very high | 97.1 | Very high | 141 Ų | 141 | 157.1 Ų | 157.1 | 66% | 0.659 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.8 | -27.4 | 173.4 | -79.3 | 177.2 | -29.4 | 0 | 0 | 113.3 | R18 K19 M20 K25 | R18-Q22 WeakPolarHBondContact O-CG 3.4Å; R18-Q22 PolarHBondContact O-N 3.46Å; K19-Q22 PolarHBondContact O-N 3.25Å; M20-Q22 PolarHBondContact O-N 3.44Å; Q22-K25 VanDerWaalsContact O-OXT 3.1Å |
| 23 | R | 97.1 | Very high | 97 | Very high | 218 Ų | 218 | 156.5 Ų | 156.5 | 82% | 0.823 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.6 | -27.6 | 175.6 | -71.1 | 179 | 175.5 | -175.3 | -5.7 | 112.9 | K19 M20 | K19-R23 PolarHBondContact O-N 3.05Å; K19-R23 VanDerWaalsContact O-N 3.15Å; M20-R23 PolarHBondContact O-N 3.48Å |
| 24 | S | 95 | Very high | 96.9 | Very high | 108 Ų | 108 | 163.2 Ų | 163.2 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | | | trans | -83.9 | -14.1 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 113.3 | M20 | M20-S24 PolarHBondContact O-N 2.96Å; M20-S24 VanDerWaalsContact O-N 3.09Å; M20-S24 PolarHBondContact O-OG 3.35Å |
| 25 | K | 88.9 | Confident | 96.8 | Very high | 212 Ų | 212 | 165.8 Ų | 165.8 | 92% | 0.922 | 71% | 0.708 | S | S | * | * | | | trans | -88.6 | 0 | 166.7 | -78.9 | -170.4 | 171.3 | -159.6 | 0 | 108.3 | R21 Q22 | R21-K25 PolarHBondContact O-N 3.26Å; Q22-K25 VanDerWaalsContact O-OXT 3.1Å |