| 1 | M | 68.6 | Low | 74.2 | Confident | 243 Ų | 243 | 134.9 Ų | 134.9 | 100% | 1.197 | 77% | 0.766 | S | S | * | * | | | | 0 | 102.8 | 0 | -85.8 | -174.7 | -82.1 | 0 | 0 | 106.8 | | |
| 2 | T | 70.9 | Confident | 75.1 | Confident | 120 Ų | 120 | 138.8 Ų | 138.8 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | trans | -75.1 | 120.2 | 166.3 | -177.5 | 0 | 0 | 0 | 0 | 105.8 | D4 | T2-D4 PolarHBondContact O-N 3.42Š|
| 3 | S | 73 | Confident | 75.4 | Confident | 77 Ų | 77 | 137.1 Ų | 137.1 | 54% | 0.538 | 77% | 0.771 | S | S | . | * | | | trans | -87.5 | 103.1 | -179.6 | -172.9 | 0 | 0 | 0 | 0 | 107.5 | Q5 | S3-Q5 PolarHBondContact O-N 3.2Å; S3-Q5 PolarHBondContact OG-OE1 3.15Å; S3-Q5 WeakPolarHBondContact OG-CB 3.45Å; S3-Q5 WeakPolarHBondContact OG-CG 3.49Å |
| 4 | D | 74.7 | Confident | 75.8 | Confident | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -75.3 | 33.9 | 176.1 | -60.7 | -58.8 | 0 | 0 | 0 | 112.1 | T2 | T2-D4 PolarHBondContact O-N 3.42Š|
| 5 | Q | 71.6 | Confident | 76.1 | Confident | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -96.6 | 4.1 | -168.7 | -71.1 | -169.2 | -71.1 | 0 | 0 | 115.8 | S3 A7 | S3-Q5 PolarHBondContact O-N 3.2Å; S3-Q5 PolarHBondContact OG-OE1 3.15Å; S3-Q5 WeakPolarHBondContact OG-CB 3.45Å; S3-Q5 WeakPolarHBondContact OG-CG 3.49Å; Q5-A7 PolarHBondContact O-N 2.95Å; Q5-A7 VanDerWaalsContact O-N 3.15Å |
| 6 | D | 71.9 | Confident | 76.2 | Confident | 164 Ų | 164 | 139.1 Ų | 139.1 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | | | trans | -87 | 41.1 | 171.4 | -79.2 | -65.7 | 0 | 0 | 0 | 112.7 | K8 | D6-K8 VanDerWaalsContact C-N 3.26Å; D6-K8 PolarHBondContact O-N 3.15Å |
| 7 | A | 73.8 | Confident | 76 | Confident | 83 Ų | 83 | 144.6 Ų | 144.6 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | | | trans | -74.5 | 84.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q5 V9 | Q5-A7 PolarHBondContact O-N 2.95Å; Q5-A7 VanDerWaalsContact O-N 3.15Å; A7-V9 PolarHBondContact O-N 3.11Å; A7-V9 VanDerWaalsContact O-N 3.11Å |
| 8 | K | 76.5 | Confident | 75.8 | Confident | 171 Ų | 171 | 142.9 Ų | 142.9 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | -63.9 | 110.8 | 169.2 | 125.9 | 176.5 | 176 | -67 | 0 | 108.4 | D6 V10 | D6-K8 VanDerWaalsContact C-N 3.26Å; D6-K8 PolarHBondContact O-N 3.15Å; K8-V10 PolarHBondContact O-N 2.93Å; K8-V10 VanDerWaalsContact O-N 3.15Å; K8-V10 HydrophobicContact CG-CG2 3.78Å; K8-V10 VanDerWaalsContact CE-CG2 3.46Å; K8-V10 HydrophobicContact CD-CG2 4.24Å |
| 9 | V | 76.2 | Confident | 75.5 | Confident | 140 Ų | 140 | 142.6 Ų | 142.6 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | trans | -70.7 | 109.2 | 170 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | A7 | A7-V9 PolarHBondContact O-N 3.11Å; A7-V9 VanDerWaalsContact O-N 3.11Å |
| 10 | V | 79.8 | Confident | 75.2 | Confident | 96 Ų | 96 | 144.5 Ų | 144.5 | 58% | 0.582 | 77% | 0.772 | S | S | * | * | | | trans | -85.7 | 113.5 | 169.8 | -179.3 | 0 | 0 | 0 | 0 | 106.9 | K8 | K8-V10 PolarHBondContact O-N 2.93Å; K8-V10 VanDerWaalsContact O-N 3.15Å; K8-V10 HydrophobicContact CG-CG2 3.78Å; K8-V10 VanDerWaalsContact CE-CG2 3.46Å; K8-V10 HydrophobicContact CD-CG2 4.24Å |
| 11 | A | 79.6 | Confident | 74.7 | Confident | 83 Ų | 83 | 140.4 Ų | 140.4 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 136.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 12 | E | 85 | Confident | 74.4 | Confident | 182 Ų | 182 | 135.2 Ų | 135.2 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 127.6 | 176.9 | -146.3 | 175.6 | 145.6 | 0 | 0 | 109 | Q14 | E12-Q14 PolarHBondContact O-N 3.24Š|
| 13 | P | 78.1 | Confident | 73.9 | Confident | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 127.3 | -177.5 | 24.5 | -32.2 | 0 | 0 | 0 | 109.5 | A15 | P13-A15 PolarHBondContact O-N 3.17Š|
| 14 | Q | 82.1 | Confident | 73.1 | Confident | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63 | 120.9 | 173.8 | -66.9 | -170.1 | -29.6 | 0 | 0 | 108.9 | E12 Q16 | E12-Q14 PolarHBondContact O-N 3.24Å; Q14-Q16 PolarHBondContact O-N 3.15Å; Q14-Q16 VanDerWaalsContact O-N 3.12Å |
| 15 | A | 80.4 | Confident | 72.3 | Confident | 78 Ų | 78 | 133.1 Ų | 133.1 | 65% | 0.645 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 117 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P13 R17 | P13-A15 PolarHBondContact O-N 3.17Å; A15-R17 PolarHBondContact O-N 3.12Å; A15-R17 VanDerWaalsContact O-N 3.15Å |
| 16 | Q | 76.8 | Confident | 71.6 | Confident | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 116.8 | 168.9 | -75.1 | -179.9 | -12.2 | 0 | 0 | 108 | Q14 V18 | Q14-Q16 PolarHBondContact O-N 3.15Å; Q14-Q16 VanDerWaalsContact O-N 3.12Å; Q16-V18 VanDerWaalsContact C-N 3.33Å; Q16-V18 PolarHBondContact O-N 2.97Å |
| 17 | R | 73.6 | Confident | 71.3 | Confident | 233 Ų | 233 | 131.1 Ų | 131.1 | 88% | 0.879 | 71% | 0.713 | S | S | * | * | | | trans | -73.3 | 92.9 | 171.9 | -61.4 | -65.4 | -178.6 | 177.1 | -2.1 | 107.4 | A15 Q19 | A15-R17 PolarHBondContact O-N 3.12Å; A15-R17 VanDerWaalsContact O-N 3.15Å; R17-Q19 PolarHBondContact O-N 2.85Å |
| 18 | V | 71.9 | Confident | 70.8 | Confident | 114 Ų | 114 | 134.8 Ų | 134.8 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | | | trans | -66.2 | 124.8 | 166.3 | 179.3 | 0 | 0 | 0 | 0 | 106.4 | Q16 E20 | Q16-V18 VanDerWaalsContact C-N 3.33Å; Q16-V18 PolarHBondContact O-N 2.97Å; V18-E20 PolarHBondContact O-N 3.36Å |
| 19 | Q | 70.1 | Confident | 70.2 | Confident | 136 Ų | 136 | 133.7 Ų | 133.7 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | trans | -68.4 | 89 | 170.2 | -167.7 | 103.7 | 87.4 | 0 | 0 | 106.6 | R17 G21 K22 | R17-Q19 PolarHBondContact O-N 2.85Å; Q19-G21 PolarHBondContact O-N 3.49Å; Q19-K22 HydrophobicContact CG-CD 4.4Å; Q19-K22 HydrophobicContact CG-CG 3.92Å; Q19-K22 VanDerWaalsContact OE1-CE 3.25Å |
| 20 | E | 70.1 | Confident | 69.7 | Low | 181 Ų | 181 | 129.3 Ų | 129.3 | 85% | 0.846 | 70% | 0.704 | S | S | * | * | | | trans | -57.3 | 110.2 | 170 | -75.8 | -178.9 | 83 | 0 | 0 | 106.9 | V18 K22 | V18-E20 PolarHBondContact O-N 3.36Å; E20-K22 PolarHBondContact O-N 2.97Å |
| 21 | G | 64.8 | Low | 69 | Low | 58 Ų | 58 | 130.4 Ų | 130.4 | 60% | 0.598 | 71% | 0.713 | S | S | * | * | | | trans | 30.1 | 89.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q19 D23 | Q19-G21 PolarHBondContact O-N 3.49Å; G21-D23 PolarHBondContact O-N 2.82Å |
| 22 | K | 62.4 | Low | 68.3 | Low | 135 Ų | 135 | 133.6 Ų | 133.6 | 59% | 0.587 | 72% | 0.717 | S | S | * | * | | | trans | -50.1 | 109.8 | 145.4 | -93.2 | 171.1 | 179.3 | 172.6 | 0 | 104.3 | Q19 E20 S24 | Q19-K22 HydrophobicContact CG-CD 4.4Å; Q19-K22 HydrophobicContact CG-CG 3.92Å; Q19-K22 VanDerWaalsContact OE1-CE 3.25Å; E20-K22 PolarHBondContact O-N 2.97Å; K22-S24 PolarHBondContact O-N 2.97Å |
| 23 | D | 59.2 | Low | 67.2 | Low | 135 Ų | 135 | 129.8 Ų | 129.8 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | | | trans | -38.5 | 120.2 | 171.5 | -71.8 | -84.1 | 0 | 0 | 0 | 106.5 | G21 S25 | G21-D23 PolarHBondContact O-N 2.82Å; D23-S25 PolarHBondContact O-N 3.36Å |
| 24 | S | 57.4 | Low | 66.3 | Low | 85 Ų | 85 | 132.3 Ų | 132.3 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -60.6 | 17 | 179 | -53.2 | 0 | 0 | 0 | 0 | 112.6 | K22 H26 L27 | K22-S24 PolarHBondContact O-N 2.97Å; S24-H26 PolarHBondContact O-N 2.65Å; S24-L27 PolarHBondContact O-N 2.96Å; S24-L27 WeakPolarHBondContact O-CB 3.3Å; S24-L27 VanDerWaalsContact O-CB 3.3Å |
| 25 | S | 56.6 | Low | 65.1 | Low | 72 Ų | 72 | 129.6 Ų | 129.6 | 50% | 0.503 | 71% | 0.708 | S | S | . | * | G | 310 helix | trans | -54.1 | -31.5 | 166.8 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | D23 L27 M28 | D23-S25 PolarHBondContact O-N 3.36Å; S25-L27 PolarHBondContact O-N 3.08Å; S25-M28 PolarHBondContact O-N 3.29Å; S25-M28 VanDerWaalsContact O-N 3.08Å |
| 26 | H | 58.2 | Low | 64 | Low | 149 Ų | 149 | 135.6 Ų | 135.6 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -69.4 | -15.3 | 172.1 | -62.8 | -51.2 | 0 | 0 | 0 | 113.8 | S24 M28 | S24-H26 PolarHBondContact O-N 2.65Å; H26-M28 VanDerWaalsContact C-N 3.28Å |
| 27 | L | 64.1 | Low | 63.4 | Low | 140 Ų | 140 | 133.4 Ų | 133.4 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -81.9 | -7.4 | 172 | -55.8 | -178.5 | 0 | 0 | 0 | 112.5 | S24 S25 | S24-L27 PolarHBondContact O-N 2.96Å; S24-L27 WeakPolarHBondContact O-CB 3.3Å; S24-L27 VanDerWaalsContact O-CB 3.3Å; S25-L27 PolarHBondContact O-N 3.08Å |
| 28 | M | 63 | Low | 62.8 | Low | 161 Ų | 161 | 128.2 Ų | 128.2 | 79% | 0.793 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -121.4 | 18 | -174.1 | -60.5 | -61.4 | 178.1 | 0 | 0 | 113.9 | S25 H26 | S25-M28 PolarHBondContact O-N 3.29Å; S25-M28 VanDerWaalsContact O-N 3.08Å; H26-M28 VanDerWaalsContact C-N 3.28Å |
| 29 | N | 64.9 | Low | 62.3 | Low | 147 Ų | 147 | 128.9 Ų | 128.9 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | | | trans | -127 | 62.9 | -178.9 | -135 | -14 | 0 | 0 | 0 | 112.6 | | |
| 30 | G | 66.4 | Low | 61.9 | Low | 48 Ų | 48 | 128.5 Ų | 128.5 | 50% | 0.495 | 73% | 0.732 | S | S | . | * | S | Bend | trans | -114.9 | 145.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | I32 | G30-I32 PolarHBondContact O-N 3.03Š|
| 31 | P | 64.2 | Low | 61.3 | Low | 119 Ų | 119 | 125.3 Ų | 125.3 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | trans | -54.8 | 120.9 | 177.8 | 23.5 | -31.8 | 0 | 0 | 0 | 108.3 | S33 | P31-S33 PolarHBondContact O-N 2.73Š|
| 32 | I | 64.4 | Low | 61.1 | Low | 150 Ų | 150 | 129.7 Ų | 129.7 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | trans | -65.9 | 98.2 | 165 | -49 | 177.9 | 0 | 0 | 0 | 103.8 | G30 Q34 | G30-I32 PolarHBondContact O-N 3.03Å; I32-Q34 HydrophobicContact CG2-CG 3.71Å; I32-Q34 PolarHBondContact O-N 2.86Å |
| 33 | S | 63.3 | Low | 61 | Low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | -64.5 | 79.9 | 165.3 | -69.9 | 0 | 0 | 0 | 0 | 107.2 | P31 T35 | P31-S33 PolarHBondContact O-N 2.73Å; S33-T35 VanDerWaalsContact C-N 3.27Å; S33-T35 PolarHBondContact O-N 3.15Å; S33-T35 VanDerWaalsContact O-N 3.15Å |
| 34 | Q | 59.3 | Low | 61.2 | Low | 169 Ų | 169 | 128.9 Ų | 128.9 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | -75.3 | 90.7 | 159 | -71.2 | -167.7 | -71 | 0 | 0 | 106.3 | I32 | I32-Q34 HydrophobicContact CG2-CG 3.71Å; I32-Q34 PolarHBondContact O-N 2.86Å |
| 35 | T | 56.8 | Low | 61.5 | Low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -79.4 | 116.8 | 159.5 | -53 | 0 | 0 | 0 | 0 | 106.5 | S33 | S33-T35 VanDerWaalsContact C-N 3.27Å; S33-T35 PolarHBondContact O-N 3.15Å; S33-T35 VanDerWaalsContact O-N 3.15Å |
| 36 | T | 56.4 | Low | 61.9 | Low | 204 Ų | 204 | 138.1 Ų | 138.1 | 100% | 1.252 | 78% | 0.781 | S | S | * | * | | | trans | -61.1 | 0 | 166.6 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | | |