| 1 | M | 72.1 | Confident | 76.7 | Confident | 253 Ų | 253 | 144.7 Ų | 144.7 | 100% | 1.246 | 80% | 0.804 | S | S | * | * | | | | 0 | 127.1 | 0 | -71.9 | 171.7 | 172 | 0 | 0 | 107.7 | | |
| 2 | G | 70.4 | Confident | 77 | Confident | 83 Ų | 83 | 141.8 Ų | 141.8 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | 153.6 | 55.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G4 | G2-G4 PolarHBondContact O-N 3.3Š|
| 3 | G | 77.9 | Confident | 77 | Confident | 73 Ų | 73 | 145.2 Ų | 145.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | -81 | 105.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | E5 | G3-E5 PolarHBondContact O-N 3.25Š|
| 4 | G | 77.1 | Confident | 77 | Confident | 61 Ų | 61 | 141.6 Ų | 141.6 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | | | trans | -87.7 | 70.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G2 R6 | G2-G4 PolarHBondContact O-N 3.3Å; G4-R6 PolarHBondContact O-N 3.16Å; G4-R6 VanDerWaalsContact O-N 3.15Å |
| 5 | E | 77.7 | Confident | 76.4 | Confident | 157 Ų | 157 | 147.1 Ų | 147.1 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -66.1 | 112.3 | 173.5 | -63.9 | 178.7 | 98.5 | 0 | 0 | 108.8 | G3 Y7 | G3-E5 PolarHBondContact O-N 3.25Å; E5-Y7 PolarHBondContact O-N 3.49Å |
| 6 | R | 76.5 | Confident | 75.5 | Confident | 226 Ų | 226 | 144.4 Ų | 144.4 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -87.2 | 104 | 175.3 | -55.4 | -61.4 | -173.5 | 174.4 | 1.3 | 106.9 | G4 N8 | G4-R6 PolarHBondContact O-N 3.16Å; G4-R6 VanDerWaalsContact O-N 3.15Å; R6-N8 PolarHBondContact O-N 3.41Å |
| 7 | Y | 77.1 | Confident | 74.8 | Confident | 189 Ų | 189 | 140.7 Ų | 140.7 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | -57.8 | 128.8 | 171.9 | -58.5 | -79.1 | 0 | 0 | 0 | 109.1 | E5 I9 | E5-Y7 PolarHBondContact O-N 3.49Å; Y7-I9 PolarHBondContact O-N 3.34Å |
| 8 | N | 79.2 | Confident | 74.5 | Confident | 167 Ų | 167 | 137.3 Ų | 137.3 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | | | trans | -70.4 | 83 | 166.9 | -83.3 | -73.2 | 0 | 0 | 0 | 107.5 | R6 P10 | R6-N8 PolarHBondContact O-N 3.41Å; N8-P10 VanDerWaalsContact O-CD 3.31Å; N8-P10 WeakPolarHBondContact O-CD 3.43Å |
| 9 | I | 79 | Confident | 74.3 | Confident | 141 Ų | 141 | 135.9 Ų | 135.9 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | | | trans | -76.4 | 115.8 | 174.8 | -54.7 | 174.3 | 0 | 0 | 0 | 106.3 | Y7 | Y7-I9 PolarHBondContact O-N 3.34Š|
| 10 | P | 78.1 | Confident | 74 | Confident | 108 Ų | 108 | 134.4 Ų | 134.4 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | | | trans | -62.1 | 143.2 | 173.6 | 26.7 | -32.8 | 0 | 0 | 0 | 109.3 | N8 | N8-P10 VanDerWaalsContact O-CD 3.31Å; N8-P10 WeakPolarHBondContact O-CD 3.43Å |
| 11 | D | 79.1 | Confident | 74.1 | Confident | 134 Ų | 134 | 134.3 Ų | 134.3 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | | | trans | -55.3 | 136.4 | 177.7 | -173.6 | -101.8 | 0 | 0 | 0 | 110.4 | Q13 | D11-Q13 PolarHBondContact O-N 3.49Š|
| 12 | P | 79.9 | Confident | 74.5 | Confident | 109 Ų | 109 | 127.3 Ų | 127.3 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | | | trans | -57.1 | 105.9 | 177.8 | 21 | -32.1 | 0 | 0 | 0 | 110.8 | S14 | P12-S14 PolarHBondContact O-N 3Š|
| 13 | Q | 77.4 | Confident | 74.8 | Confident | 187 Ų | 187 | 127.6 Ų | 127.6 | 87% | 0.874 | 68% | 0.676 | S | S | * | * | | | trans | -58.9 | 122.1 | 179.7 | -70.4 | -179.8 | -95.2 | 0 | 0 | 110.7 | D11 R15 | D11-Q13 PolarHBondContact O-N 3.49Å; Q13-R15 PolarHBondContact O-N 3.41Å |
| 14 | S | 76 | Confident | 74.6 | Confident | 94 Ų | 94 | 129.7 Ų | 129.7 | 66% | 0.657 | 67% | 0.666 | S | S | * | * | | | trans | -56.3 | 112.6 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | P12 N16 | P12-S14 PolarHBondContact O-N 3Å; S14-N16 PolarHBondContact O-N 3.01Å |
| 15 | R | 68.9 | Low | 74.4 | Confident | 225 Ų | 225 | 131.8 Ų | 131.8 | 85% | 0.849 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -2.9 | -170.2 | -160.2 | 171.1 | -174.3 | 168.2 | 2.3 | 115 | Q13 | Q13-R15 PolarHBondContact O-N 3.41Š|
| 16 | N | 62.6 | Low | 74.3 | Confident | 103 Ų | 103 | 131.2 Ų | 131.2 | 55% | 0.551 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -7.6 | -167.6 | -67.1 | -34.3 | 0 | 0 | 0 | 115.3 | S14 | S14-N16 PolarHBondContact O-N 3.01Š|
| 17 | A | 63.4 | Low | 74.1 | Confident | 82 Ų | 82 | 125 Ų | 125 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -39.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 18 | S | 68.8 | Low | 73.9 | Confident | 79 Ų | 79 | 122.2 Ų | 122.2 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -19.9 | -175.1 | -175.3 | 0 | 0 | 0 | 0 | 114.1 | N20 Q21 E22 | S18-N20 VanDerWaalsContact C-N 3.29Å; S18-N20 PolarHBondContact O-N 3.16Å; S18-Q21 PolarHBondContact O-N 3.27Å; S18-Q21 VanDerWaalsContact O-N 3.13Å; S18-E22 VanDerWaalsContact O-N 3.13Å; S18-E22 PolarHBondContact O-N 3.37Å |
| 19 | K | 71.1 | Confident | 73.4 | Confident | 111 Ų | 111 | 118.3 Ų | 118.3 | 48% | 0.483 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.6 | -35.4 | -172.3 | -162.7 | 175.7 | -176.1 | -175.9 | 0 | 113.1 | Q23 | K19-Q23 VanDerWaalsContact O-CG 3.28Å; K19-Q23 WeakPolarHBondContact O-CG 3.45Å; K19-Q23 PolarHBondContact O-N 3.39Å |
| 20 | N | 68.1 | Low | 73 | Confident | 105 Ų | 105 | 119 Ų | 119 | 56% | 0.561 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.5 | -41.7 | 177.6 | -71.1 | -60.5 | 0 | 0 | 0 | 111.9 | S18 E22 Q23 Q24 | S18-N20 VanDerWaalsContact C-N 3.29Å; S18-N20 PolarHBondContact O-N 3.16Å; N20-E22 PolarHBondContact O-N 3.01Å; N20-Q23 PolarHBondContact O-N 2.62Å; N20-Q24 WeakPolarHBondContact O-CB 3.47Å; N20-Q24 WeakPolarHBondContact O-CG 3.42Å; N20-Q24 PolarHBondContact O-N 3.13Å |
| 21 | Q | 76.6 | Confident | 72.3 | Confident | 134 Ų | 134 | 117.5 Ų | 117.5 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.2 | -41.5 | 179.6 | -66 | -175.8 | -8.1 | 0 | 0 | 111.7 | S18 Q24 N25 | S18-Q21 PolarHBondContact O-N 3.27Å; S18-Q21 VanDerWaalsContact O-N 3.13Å; Q21-Q24 PolarHBondContact O-N 3.48Å; Q21-N25 WeakPolarHBondContact O-CB 3.49Å; Q21-N25 PolarHBondContact O-N 3.35Å; Q21-N25 PolarHBondContact O-ND2 3.02Å |
| 22 | E | 79.1 | Confident | 71.6 | Confident | 105 Ų | 105 | 118.1 Ų | 118.1 | 49% | 0.491 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.9 | -40.6 | 178.2 | -167.7 | -171.6 | 73.7 | 0 | 0 | 112.3 | S18 N20 N25 R26 | S18-E22 VanDerWaalsContact O-N 3.13Å; S18-E22 PolarHBondContact O-N 3.37Å; N20-E22 PolarHBondContact O-N 3.01Å; E22-N25 PolarHBondContact O-N 3.02Å; E22-R26 PolarHBondContact OE1-NH2 2.94Å; E22-R26 IonicContact OE1-NH2 2.62Å; E22-R26 IonicContact OE1-NE 3.74Å; E22-R26 IonicContact OE1-CZ 3.48Å; E22-R26 PolarHBondContact O-N 2.96Å; E22-R26 PolarHBondContact O-NE 2.98Å; E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 WeakPolarHBondContact O-CG 3.4Å |
| 23 | Q | 77.6 | Confident | 70.6 | Confident | 89 Ų | 89 | 119 Ų | 119 | 42% | 0.416 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.6 | -41.1 | 175.9 | -73.1 | 179.1 | 10.8 | 0 | 0 | 112.2 | K19 N20 R26 Q27 | K19-Q23 VanDerWaalsContact O-CG 3.28Å; K19-Q23 WeakPolarHBondContact O-CG 3.45Å; K19-Q23 PolarHBondContact O-N 3.39Å; N20-Q23 PolarHBondContact O-N 2.62Å; Q23-R26 PolarHBondContact O-N 3.41Å; Q23-Q27 PolarHBondContact O-N 3.42Å |
| 24 | Q | 74.5 | Confident | 69.9 | Low | 117 Ų | 117 | 114.4 Ų | 114.4 | 55% | 0.547 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64 | -41.6 | 176.4 | -69.3 | -68.1 | -49.7 | 0 | 0 | 111.8 | N20 Q21 Q27 K28 | N20-Q24 WeakPolarHBondContact O-CB 3.47Å; N20-Q24 WeakPolarHBondContact O-CG 3.42Å; N20-Q24 PolarHBondContact O-N 3.13Å; Q21-Q24 PolarHBondContact O-N 3.48Å; Q24-Q27 PolarHBondContact O-N 2.97Å; Q24-K28 WeakPolarHBondContact O-CG 3.21Å; Q24-K28 PolarHBondContact O-N 3.19Å |
| 25 | N | 72.3 | Confident | 69.2 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 57% | 0.567 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.4 | -38.3 | 176.2 | -76.8 | -28.6 | 0 | 0 | 0 | 112.3 | Q21 E22 S29 | Q21-N25 WeakPolarHBondContact O-CB 3.49Å; Q21-N25 PolarHBondContact O-N 3.35Å; Q21-N25 PolarHBondContact O-ND2 3.02Å; E22-N25 PolarHBondContact O-N 3.02Å; N25-S29 WeakPolarHBondContact O-CB 3.33Å; N25-S29 PolarHBondContact O-N 3.5Å |
| 26 | R | 74.4 | Confident | 68.8 | Low | 144 Ų | 144 | 112.3 Ų | 112.3 | 54% | 0.543 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.2 | -39.1 | 174.7 | -76.9 | -173.9 | -86.8 | 159.1 | -13.2 | 112.6 | E22 Q23 K30 | E22-R26 PolarHBondContact OE1-NH2 2.94Å; E22-R26 IonicContact OE1-NH2 2.62Å; E22-R26 IonicContact OE1-NE 3.74Å; E22-R26 IonicContact OE1-CZ 3.48Å; E22-R26 PolarHBondContact O-N 2.96Å; E22-R26 PolarHBondContact O-NE 2.98Å; E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 WeakPolarHBondContact O-CG 3.4Å; Q23-R26 PolarHBondContact O-N 3.41Å; R26-K30 PolarHBondContact O-N 3.13Å; R26-K30 VanDerWaalsContact O-N 3.16Å; R26-K30 WeakPolarHBondContact O-CB 3.4Å |
| 27 | Q | 73.7 | Confident | 68.2 | Low | 96 Ų | 96 | 116.8 Ų | 116.8 | 45% | 0.449 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.2 | -52.5 | 175.6 | -173.5 | 56.8 | 60.7 | 0 | 0 | 110.6 | Q23 Q24 S29 K30 D31 | Q23-Q27 PolarHBondContact O-N 3.42Å; Q24-Q27 PolarHBondContact O-N 2.97Å; Q27-S29 VanDerWaalsContact C-N 3.31Å; Q27-S29 PolarHBondContact O-N 2.91Å; Q27-K30 WeakPolarHBondContact O-CB 3.31Å; Q27-K30 PolarHBondContact O-N 3.22Å; Q27-D31 PolarHBondContact O-N 3.41Å; Q27-D31 VanDerWaalsContact O-CG 3.31Å; Q27-D31 PolarHBondContact NE2-OD2 2.87Å; Q27-D31 PolarHBondContact NE2-OD1 3.32Å; Q27-D31 WeakPolarHBondContact CG-OD2 3.38Å; Q27-D31 VanDerWaalsContact C-OD2 3.32Å; Q27-D31 VanDerWaalsContact NE2-CG 3.28Å |
| 28 | K | 72.6 | Confident | 68.5 | Low | 131 Ų | 131 | 118.5 Ų | 118.5 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -55 | -44.2 | 177.1 | -71.3 | -176.9 | -177.7 | -159.9 | 0 | 113 | Q24 K30 D31 Q32 | Q24-K28 WeakPolarHBondContact O-CG 3.21Å; Q24-K28 PolarHBondContact O-N 3.19Å; K28-K30 VanDerWaalsContact C-N 3.29Å; K28-K30 PolarHBondContact O-N 3.42Å; K28-D31 PolarHBondContact O-N 3.31Å; K28-Q32 WeakPolarHBondContact O-CB 3.28Å; K28-Q32 WeakPolarHBondContact O-CG 3.12Å; K28-Q32 PolarHBondContact O-N 3.38Å |
| 29 | S | 68.5 | Low | 68.4 | Low | 85 Ų | 85 | 120.6 Ų | 120.6 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.4 | -34.6 | 178.9 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | N25 Q27 N33 | N25-S29 WeakPolarHBondContact O-CB 3.33Å; N25-S29 PolarHBondContact O-N 3.5Å; Q27-S29 VanDerWaalsContact C-N 3.31Å; Q27-S29 PolarHBondContact O-N 2.91Å; S29-N33 PolarHBondContact O-N 2.99Å |
| 30 | K | 70.7 | Confident | 68.3 | Low | 154 Ų | 154 | 121.1 Ų | 121.1 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72 | -40.7 | 176.4 | -169.4 | 175 | -179.6 | -178.1 | 0 | 112.2 | R26 Q27 K28 N33 S34 | R26-K30 PolarHBondContact O-N 3.13Å; R26-K30 VanDerWaalsContact O-N 3.16Å; R26-K30 WeakPolarHBondContact O-CB 3.4Å; Q27-K30 WeakPolarHBondContact O-CB 3.31Å; Q27-K30 PolarHBondContact O-N 3.22Å; K28-K30 VanDerWaalsContact C-N 3.29Å; K28-K30 PolarHBondContact O-N 3.42Å; K30-N33 PolarHBondContact O-N 2.89Å; K30-S34 PolarHBondContact O-N 2.89Å; K30-S34 VanDerWaalsContact O-N 3.16Å |
| 31 | D | 63.3 | Low | 68.3 | Low | 77 Ų | 77 | 122.1 Ų | 122.1 | 41% | 0.412 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.1 | -37.4 | 178.2 | -61.3 | -48.4 | 0 | 0 | 0 | 111.7 | Q27 K28 N33 S34 S35 | Q27-D31 PolarHBondContact O-N 3.41Å; Q27-D31 VanDerWaalsContact O-CG 3.31Å; Q27-D31 PolarHBondContact NE2-OD2 2.87Å; Q27-D31 PolarHBondContact NE2-OD1 3.32Å; Q27-D31 WeakPolarHBondContact CG-OD2 3.38Å; Q27-D31 VanDerWaalsContact C-OD2 3.32Å; Q27-D31 VanDerWaalsContact NE2-CG 3.28Å; K28-D31 PolarHBondContact O-N 3.31Å; D31-N33 VanDerWaalsContact C-N 3.35Å; D31-N33 PolarHBondContact O-N 3.03Å; D31-S34 PolarHBondContact O-N 3.24Å; D31-S35 PolarHBondContact O-N 3.44Å; D31-S35 PolarHBondContact O-OG 3.15Å |
| 32 | Q | 63.9 | Low | 67.8 | Low | 147 Ų | 147 | 121.3 Ų | 121.3 | 69% | 0.687 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.1 | -31.1 | 176 | -68.5 | -65.8 | -77.5 | 0 | 0 | 113.2 | K28 | K28-Q32 WeakPolarHBondContact O-CB 3.28Å; K28-Q32 WeakPolarHBondContact O-CG 3.12Å; K28-Q32 PolarHBondContact O-N 3.38Å |
| 33 | N | 59.8 | Low | 67 | Low | 128 Ų | 128 | 122.4 Ų | 122.4 | 68% | 0.684 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.4 | -27.5 | 174.1 | -162.2 | -58.8 | 0 | 0 | 0 | 111.8 | S29 K30 D31 S35 | S29-N33 PolarHBondContact O-N 2.99Å; K30-N33 PolarHBondContact O-N 2.89Å; D31-N33 VanDerWaalsContact C-N 3.35Å; D31-N33 PolarHBondContact O-N 3.03Å; N33-S35 VanDerWaalsContact C-N 3.3Å; N33-S35 PolarHBondContact O-N 3.19Å |
| 34 | S | 61.8 | Low | 66.3 | Low | 90 Ų | 90 | 124.8 Ų | 124.8 | 63% | 0.629 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.6 | -14.8 | 179 | -167.3 | 0 | 0 | 0 | 0 | 114.4 | K30 D31 Q36 | K30-S34 PolarHBondContact O-N 2.89Å; K30-S34 VanDerWaalsContact O-N 3.16Å; D31-S34 PolarHBondContact O-N 3.24Å; S34-Q36 VanDerWaalsContact C-N 3.33Å |
| 35 | S | 62 | Low | 65.6 | Low | 98 Ų | 98 | 125.4 Ų | 125.4 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 10.2 | 179.3 | -55.8 | 0 | 0 | 0 | 0 | 114.2 | D31 N33 | D31-S35 PolarHBondContact O-N 3.44Å; D31-S35 PolarHBondContact O-OG 3.15Å; N33-S35 VanDerWaalsContact C-N 3.3Å; N33-S35 PolarHBondContact O-N 3.19Å |
| 36 | Q | 59.9 | Low | 65.1 | Low | 178 Ų | 178 | 127 Ų | 127 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | | | trans | -115.2 | 21.7 | -177.7 | -143.7 | -175 | -76.7 | 0 | 0 | 114.3 | S34 | S34-Q36 VanDerWaalsContact C-N 3.33Š|
| 37 | T | 50.4 | Low | 64.2 | Low | 196 Ų | 196 | 125.5 Ų | 125.5 | 100% | 1.202 | 67% | 0.674 | S | S | * | * | | | trans | -122.5 | 0 | 165.3 | -50.4 | 0 | 0 | 0 | 0 | 108.8 | | |