| 1 | A | 75.3 | Confident | 89.8 | Confident | 99 Ų | 99 | 111.5 Ų | 111.5 | 82% | 0.818 | 57% | 0.572 | S | S | * | * | | | | 0 | 154.6 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | A3 E4 | A1-A3 PolarHBondContact O-N 3.33Å; A1-A3 VanDerWaalsContact C-N 3.25Å; A1-E4 WeakPolarHBondContact CA-OE2 3.37Å; A1-E4 HydrophobicContact CB-CG 4.34Å; A1-E4 WeakPolarHBondContact CB-OE2 3.42Å; A1-E4 PolarHBondContact N-OE2 2.84Å; A1-E4 PolarHBondContact O-N 3.04Å |
| 2 | Q | 84.8 | Confident | 89.9 | Confident | 137 Ų | 137 | 108.2 Ų | 108.2 | 64% | 0.64 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.4 | -27.3 | -177 | -166.3 | 178.4 | 6.5 | 0 | 0 | 113.2 | R6 | Q2-R6 WeakPolarHBondContact O-CG 3.33Å; Q2-R6 PolarHBondContact O-N 3.44Å |
| 3 | A | 89.3 | Confident | 90.1 | Very high | 74 Ų | 74 | 109.1 Ų | 109.1 | 61% | 0.612 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.5 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1 E5 R6 Y7 | A1-A3 PolarHBondContact O-N 3.33Å; A1-A3 VanDerWaalsContact C-N 3.25Å; A3-E5 VanDerWaalsContact C-N 3.34Å; A3-E5 PolarHBondContact O-N 2.86Å; A3-R6 PolarHBondContact O-N 3.33Å; A3-Y7 WeakPolarHBondContact O-CB 3.31Å; A3-Y7 PolarHBondContact O-N 3.19Å |
| 4 | E | 89.6 | Confident | 90.1 | Very high | 134 Ų | 134 | 108.9 Ų | 108.9 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.1 | -39.5 | 179.5 | -63 | 167.5 | 99.5 | 0 | 0 | 111.3 | A1 Y7 G8 | A1-E4 WeakPolarHBondContact CA-OE2 3.37Å; A1-E4 HydrophobicContact CB-CG 4.34Å; A1-E4 WeakPolarHBondContact CB-OE2 3.42Å; A1-E4 PolarHBondContact N-OE2 2.84Å; A1-E4 PolarHBondContact O-N 3.04Å; E4-Y7 PolarHBondContact O-N 3.05Å; E4-G8 PolarHBondContact O-N 2.98Å |
| 5 | E | 90.8 | Very high | 90 | Very high | 115 Ų | 115 | 105.8 Ų | 105.8 | 54% | 0.537 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.8 | -42.8 | 176.6 | -168.9 | -168.9 | 94.9 | 0 | 0 | 111.9 | A3 G8 K9 | A3-E5 VanDerWaalsContact C-N 3.34Å; A3-E5 PolarHBondContact O-N 2.86Å; E5-G8 PolarHBondContact O-N 3.44Å; E5-K9 PolarHBondContact O-N 3.4Å; E5-K9 PolarHBondContact OE1-NZ 2.97Å; E5-K9 IonicContact OE1-NZ 2.75Å; E5-K9 WeakPolarHBondContact O-CG 3.35Å |
| 6 | R | 93.9 | Very high | 89.8 | Confident | 151 Ų | 151 | 110.6 Ų | 110.6 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.6 | -44.2 | 175.9 | -71.1 | 177.4 | -172.6 | -169.3 | 4.2 | 111.1 | Q2 A3 K9 E10 | Q2-R6 WeakPolarHBondContact O-CG 3.33Å; Q2-R6 PolarHBondContact O-N 3.44Å; A3-R6 PolarHBondContact O-N 3.33Å; R6-K9 WeakPolarHBondContact O-CB 3.38Å; R6-K9 PolarHBondContact O-N 3.41Å; R6-E10 WeakPolarHBondContact O-CG 3.46Å; R6-E10 PolarHBondContact O-N 2.95Å |
| 7 | Y | 92 | Very high | 89.6 | Confident | 156 Ų | 156 | 113.2 Ų | 113.2 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.1 | -43.1 | 177.8 | -174.2 | -111 | 0 | 0 | 0 | 111.9 | A3 E4 K9 E10 L11 | A3-Y7 WeakPolarHBondContact O-CB 3.31Å; A3-Y7 PolarHBondContact O-N 3.19Å; E4-Y7 PolarHBondContact O-N 3.05Å; Y7-K9 VanDerWaalsContact C-N 3.32Å; Y7-K9 PolarHBondContact O-N 2.92Å; Y7-E10 PolarHBondContact O-N 3.4Å; Y7-L11 HydrophobicContact CD1-CD1 3.91Å; Y7-L11 HydrophobicContact CD1-CG 4.43Å; Y7-L11 HydrophobicContact CE1-CD1 3.52Å; Y7-L11 HydrophobicContact CE1-CG 4.13Å; Y7-L11 WeakPolarHBondContact O-CG 3.34Å; Y7-L11 PolarHBondContact O-N 3.25Å |
| 8 | G | 92.1 | Very high | 89.4 | Confident | 33 Ų | 33 | 110.1 Ų | 110.1 | 34% | 0.34 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.8 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E4 E5 L11 V12 | E4-G8 PolarHBondContact O-N 2.98Å; E5-G8 PolarHBondContact O-N 3.44Å; G8-L11 PolarHBondContact O-N 3.44Å; G8-V12 VanDerWaalsContact O-N 3.17Å; G8-V12 WeakPolarHBondContact O-CG2 3.46Å; G8-V12 PolarHBondContact O-N 3.03Å |
| 9 | K | 93.6 | Very high | 88.9 | Confident | 122 Ų | 122 | 107.4 Ų | 107.4 | 53% | 0.53 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.4 | -43.7 | 175.6 | -76 | 167.9 | 175.1 | 166.6 | 0 | 112.2 | E5 R6 Y7 V12 Q13 | E5-K9 PolarHBondContact O-N 3.4Å; E5-K9 PolarHBondContact OE1-NZ 2.97Å; E5-K9 IonicContact OE1-NZ 2.75Å; E5-K9 WeakPolarHBondContact O-CG 3.35Å; R6-K9 WeakPolarHBondContact O-CB 3.38Å; R6-K9 PolarHBondContact O-N 3.41Å; Y7-K9 VanDerWaalsContact C-N 3.32Å; Y7-K9 PolarHBondContact O-N 2.92Å; K9-V12 PolarHBondContact O-N 3.26Å; K9-Q13 WeakPolarHBondContact O-CG 3.31Å; K9-Q13 PolarHBondContact O-N 3.4Å |
| 10 | E | 93.8 | Very high | 88 | Confident | 123 Ų | 123 | 104.8 Ų | 104.8 | 58% | 0.575 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.9 | -44.3 | 177.3 | -70.8 | -84 | 88.3 | 0 | 0 | 111.7 | R6 Y7 V12 Q13 I14 | R6-E10 WeakPolarHBondContact O-CG 3.46Å; R6-E10 PolarHBondContact O-N 2.95Å; Y7-E10 PolarHBondContact O-N 3.4Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 3.47Å; E10-Q13 WeakPolarHBondContact O-CB 3.41Å; E10-Q13 PolarHBondContact O-N 3.43Å; E10-I14 VanDerWaalsContact O-CG1 3.31Å; E10-I14 WeakPolarHBondContact O-CG1 3.5Å; E10-I14 PolarHBondContact O-N 2.9Å |
| 11 | L | 92.3 | Very high | 87 | Confident | 82 Ų | 82 | 106.9 Ų | 106.9 | 43% | 0.429 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61 | -41.3 | 177.4 | -70.2 | 177.5 | 0 | 0 | 0 | 112.4 | Y7 G8 I14 A15 | Y7-L11 HydrophobicContact CD1-CD1 3.91Å; Y7-L11 HydrophobicContact CD1-CG 4.43Å; Y7-L11 HydrophobicContact CE1-CD1 3.52Å; Y7-L11 HydrophobicContact CE1-CG 4.13Å; Y7-L11 WeakPolarHBondContact O-CG 3.34Å; Y7-L11 PolarHBondContact O-N 3.25Å; G8-L11 PolarHBondContact O-N 3.44Å; L11-I14 PolarHBondContact O-N 3.04Å; L11-A15 WeakPolarHBondContact O-CB 3.34Å; L11-A15 PolarHBondContact O-N 2.87Å |
| 12 | V | 91.8 | Very high | 86.2 | Confident | 72 Ų | 72 | 107.1 Ų | 107.1 | 44% | 0.436 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -39.5 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | G8 K9 E10 A15 R16 | G8-V12 VanDerWaalsContact O-N 3.17Å; G8-V12 WeakPolarHBondContact O-CG2 3.46Å; G8-V12 PolarHBondContact O-N 3.03Å; K9-V12 PolarHBondContact O-N 3.26Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 3.47Å; V12-A15 PolarHBondContact O-N 3.25Å; V12-R16 PolarHBondContact O-N 3.35Å; V12-R16 WeakPolarHBondContact O-CG 3.33Å; V12-R16 WeakPolarHBondContact O-CB 3.36Å; V12-R16 VanDerWaalsContact O-CG 3.31Å |
| 13 | Q | 91.4 | Very high | 85.2 | Confident | 120 Ų | 120 | 109.3 Ų | 109.3 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.1 | -45.5 | 176 | -72 | -71.8 | -32.8 | 0 | 0 | 111.5 | K9 E10 R16 K17 | K9-Q13 WeakPolarHBondContact O-CG 3.31Å; K9-Q13 PolarHBondContact O-N 3.4Å; E10-Q13 WeakPolarHBondContact O-CB 3.41Å; E10-Q13 PolarHBondContact O-N 3.43Å; Q13-R16 PolarHBondContact O-N 3.17Å; Q13-K17 WeakPolarHBondContact O-CB 3.4Å; Q13-K17 PolarHBondContact O-N 3.06Å |
| 14 | I | 90.8 | Very high | 83.9 | Confident | 106 Ų | 106 | 116.7 Ų | 116.7 | 54% | 0.544 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.4 | -47.3 | 176.9 | -67 | 163.5 | 0 | 0 | 0 | 110.5 | E10 L11 R16 K17 A18 | E10-I14 VanDerWaalsContact O-CG1 3.31Å; E10-I14 WeakPolarHBondContact O-CG1 3.5Å; E10-I14 PolarHBondContact O-N 2.9Å; L11-I14 PolarHBondContact O-N 3.04Å; I14-R16 PolarHBondContact O-N 3.47Å; I14-K17 PolarHBondContact O-N 3.35Å; I14-A18 PolarHBondContact O-N 3.48Å; I14-A18 WeakPolarHBondContact O-CB 3.05Å |
| 15 | A | 87.9 | Confident | 83.6 | Confident | 63 Ų | 63 | 115.8 Ų | 115.8 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.6 | -40.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L11 V12 G19 | L11-A15 WeakPolarHBondContact O-CB 3.34Å; L11-A15 PolarHBondContact O-N 2.87Å; V12-A15 PolarHBondContact O-N 3.25Å; A15-G19 PolarHBondContact O-N 3.27Å |
| 16 | R | 86.8 | Confident | 83.2 | Confident | 182 Ų | 182 | 115.8 Ų | 115.8 | 69% | 0.687 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.1 | -44.2 | 174.7 | -75.4 | 178.6 | -174.1 | -155.7 | 1.7 | 112 | V12 Q13 I14 G20 | V12-R16 PolarHBondContact O-N 3.35Å; V12-R16 WeakPolarHBondContact O-CG 3.33Å; V12-R16 WeakPolarHBondContact O-CB 3.36Å; V12-R16 VanDerWaalsContact O-CG 3.31Å; Q13-R16 PolarHBondContact O-N 3.17Å; I14-R16 PolarHBondContact O-N 3.47Å; R16-G20 PolarHBondContact O-N 2.75Å |
| 17 | K | 86.7 | Confident | 82.6 | Confident | 156 Ų | 156 | 113.9 Ų | 113.9 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.9 | -45.2 | 178 | -171.6 | 178.2 | -178.4 | -179.4 | 0 | 111.3 | Q13 I14 Q21 | Q13-K17 WeakPolarHBondContact O-CB 3.4Å; Q13-K17 PolarHBondContact O-N 3.06Å; I14-K17 PolarHBondContact O-N 3.35Å; K17-Q21 WeakPolarHBondContact O-CB 3.39Å; K17-Q21 PolarHBondContact O-N 3.34Å |
| 18 | A | 86 | Confident | 82.1 | Confident | 57 Ų | 57 | 111.4 Ų | 111.4 | 47% | 0.471 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.7 | -41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I14 Q21 | I14-A18 PolarHBondContact O-N 3.48Å; I14-A18 WeakPolarHBondContact O-CB 3.05Å; A18-Q21 PolarHBondContact O-N 3.31Å |
| 19 | G | 80.7 | Confident | 81.4 | Confident | 59 Ų | 59 | 116.3 Ų | 116.3 | 61% | 0.608 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70 | -29.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A15 | A15-G19 PolarHBondContact O-N 3.27Å |
| 20 | G | 71 | Confident | 80.6 | Confident | 55 Ų | 55 | 115.9 Ų | 115.9 | 57% | 0.567 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -85.1 | -11.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R16 T22 | R16-G20 PolarHBondContact O-N 2.75Å; G20-T22 VanDerWaalsContact C-N 3.34Å |
| 21 | Q | 65.6 | Low | 79.7 | Confident | 149 Ų | 149 | 115.4 Ų | 115.4 | 70% | 0.696 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -92.1 | 3.3 | -178.7 | -159.4 | 170.9 | 2.5 | 0 | 0 | 112.8 | K17 A18 E23 | K17-Q21 WeakPolarHBondContact O-CB 3.39Å; K17-Q21 PolarHBondContact O-N 3.34Å; A18-Q21 PolarHBondContact O-N 3.31Å; Q21-E23 PolarHBondContact O-N 2.73Å |
| 22 | T | 59.6 | Low | 78.7 | Confident | 104 Ų | 104 | 118 Ų | 118 | 64% | 0.638 | 65% | 0.649 | S | S | * | * | | | trans | -97 | 72.2 | 170.4 | -49.2 | 0 | 0 | 0 | 0 | 109 | G20 I24 | G20-T22 VanDerWaalsContact C-N 3.34Å; T22-I24 HydrophobicContact CG2-CG1 4.36Å |
| 23 | E | 63.1 | Low | 77.6 | Confident | 183 Ų | 183 | 121.8 Ų | 121.8 | 86% | 0.855 | 67% | 0.666 | S | S | * | * | | | trans | -92 | 107.8 | 157.4 | -72.6 | -179.3 | 87.9 | 0 | 0 | 106.4 | Q21 | Q21-E23 PolarHBondContact O-N 2.73Š|
| 24 | I | 61.9 | Low | 76.4 | Confident | 228 Ų | 228 | 122 Ų | 122 | 100% | 1.169 | 68% | 0.676 | S | S | * | * | | | trans | -92.4 | 0 | 159.3 | -53.7 | 178.6 | 0 | 0 | 0 | 106.6 | T22 | T22-I24 HydrophobicContact CG2-CG1 4.36Š|