| 1 | M | 47.5 | Very low | 67 | Low | 218 Ų | 218 | 119.7 Ų | 119.7 | 100% | 1.074 | 64% | 0.64 | S | S | * | * | | | | 0 | 101.8 | 0 | -167.1 | 159.9 | 180 | 0 | 0 | 106.4 | N3 | M1-N3 PolarHBondContact O-N 2.92Å; M1-N3 VanDerWaalsContact C-N 3.31Å |
| 2 | V | 58.2 | Low | 68.5 | Low | 137 Ų | 137 | 122.3 Ų | 122.3 | 83% | 0.83 | 64% | 0.641 | S | S | * | * | | | trans | -76.9 | 90.8 | -177 | -166 | 0 | 0 | 0 | 0 | 106.3 | L4 | V2-L4 PolarHBondContact O-N 2.76Å; V2-L4 HydrophobicContact CG1-CB 4.05Å |
| 3 | N | 60.9 | Low | 69.6 | Low | 144 Ų | 144 | 119.2 Ų | 119.2 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | | | trans | -70.1 | 69.5 | 161.1 | -78.8 | -52.5 | 0 | 0 | 0 | 106.7 | M1 D5 | M1-N3 PolarHBondContact O-N 2.92Å; M1-N3 VanDerWaalsContact C-N 3.31Å; N3-D5 VanDerWaalsContact C-N 3.27Å; N3-D5 PolarHBondContact O-N 2.91Å |
| 4 | L | 57.9 | Low | 70.7 | Confident | 105 Ų | 105 | 117.5 Ų | 117.5 | 55% | 0.55 | 61% | 0.614 | S | S | . | * | | | trans | -69.3 | 100.1 | 162.7 | -177.3 | 64 | 0 | 0 | 0 | 103.5 | V2 Q6 | V2-L4 PolarHBondContact O-N 2.76Å; V2-L4 HydrophobicContact CG1-CB 4.05Å; L4-Q6 WeakPolarHBondContact O-CG 3.33Å; L4-Q6 PolarHBondContact O-N 3.03Å |
| 5 | D | 64.9 | Low | 71.5 | Confident | 106 Ų | 106 | 122 Ų | 122 | 57% | 0.567 | 62% | 0.619 | S | S | * | * | | | trans | -56.2 | 95.9 | 174.6 | -179 | 33.9 | 0 | 0 | 0 | 107.6 | N3 G7 E8 D9 | N3-D5 VanDerWaalsContact C-N 3.27Å; N3-D5 PolarHBondContact O-N 2.91Å; D5-G7 PolarHBondContact O-N 3.04Å; D5-E8 HydrophobicContact CB-CB 4.4Å; D5-E8 PolarHBondContact O-N 3.38Å; D5-D9 PolarHBondContact O-N 3.1Å |
| 6 | Q | 63.7 | Low | 72.2 | Confident | 164 Ų | 164 | 118.2 Ų | 118.2 | 77% | 0.766 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.5 | -21.1 | -172.9 | -67.8 | -178.4 | -17 | 0 | 0 | 110.9 | L4 K10 | L4-Q6 WeakPolarHBondContact O-CG 3.33Å; L4-Q6 PolarHBondContact O-N 3.03Å; Q6-K10 WeakPolarHBondContact O-CB 3.46Å; Q6-K10 PolarHBondContact O-N 3.04Å |
| 7 | G | 68.6 | Low | 72.6 | Confident | 46 Ų | 46 | 122.1 Ų | 122.1 | 47% | 0.474 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.7 | -47.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | D5 K10 A11 | D5-G7 PolarHBondContact O-N 3.04Å; G7-K10 PolarHBondContact O-N 3.38Å; G7-A11 WeakPolarHBondContact O-CB 2.96Å; G7-A11 PolarHBondContact O-N 3.07Å |
| 8 | E | 72.8 | Confident | 73.2 | Confident | 144 Ų | 144 | 123.4 Ų | 123.4 | 67% | 0.673 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.3 | -43 | 178.5 | -168.5 | 177 | -164.8 | 0 | 0 | 111.5 | D5 K10 A11 K12 | D5-E8 HydrophobicContact CB-CB 4.4Å; D5-E8 PolarHBondContact O-N 3.38Å; E8-K10 PolarHBondContact O-N 2.78Å; E8-A11 PolarHBondContact O-N 3.46Å; E8-K12 WeakPolarHBondContact O-CB 3.21Å; E8-K12 PolarHBondContact O-N 2.86Å |
| 9 | D | 80.5 | Confident | 73.5 | Confident | 77 Ų | 77 | 124.6 Ų | 124.6 | 41% | 0.412 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.3 | -42.4 | 177.9 | -167.3 | 42.1 | 0 | 0 | 0 | 111.5 | D5 A11 K12 L13 | D5-D9 PolarHBondContact O-N 3.1Å; D9-A11 PolarHBondContact O-N 3.25Å; D9-K12 PolarHBondContact O-N 3.46Å; D9-L13 WeakPolarHBondContact O-CB 3.47Å; D9-L13 PolarHBondContact O-N 3.43Å |
| 10 | K | 79.7 | Confident | 73.6 | Confident | 136 Ų | 136 | 127.3 Ų | 127.3 | 59% | 0.591 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.2 | -42.8 | 174.7 | -177.8 | -178.2 | 177.3 | -176 | 0 | 112.1 | Q6 G7 E8 K12 L13 M14 | Q6-K10 WeakPolarHBondContact O-CB 3.46Å; Q6-K10 PolarHBondContact O-N 3.04Å; G7-K10 PolarHBondContact O-N 3.38Å; E8-K10 PolarHBondContact O-N 2.78Å; K10-K12 VanDerWaalsContact C-N 3.3Å; K10-K12 PolarHBondContact O-N 3.29Å; K10-L13 PolarHBondContact O-N 3.19Å; K10-M14 HydrophobicContact CG-CG 4.42Å; K10-M14 PolarHBondContact O-N 3.37Å; K10-M14 WeakPolarHBondContact O-CG 3.5Å; K10-M14 VanDerWaalsContact O-CG 3.22Å; K10-M14 WeakPolarHBondContact O-CB 3.22Å |
| 11 | A | 82.6 | Confident | 73.8 | Confident | 40 Ų | 40 | 126.4 Ų | 126.4 | 33% | 0.331 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.5 | -36.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | G7 E8 D9 R15 | G7-A11 WeakPolarHBondContact O-CB 2.96Å; G7-A11 PolarHBondContact O-N 3.07Å; E8-A11 PolarHBondContact O-N 3.46Å; D9-A11 PolarHBondContact O-N 3.25Å; A11-R15 WeakPolarHBondContact O-CG 3.34Å; A11-R15 PolarHBondContact O-N 3.27Å; A11-R15 PolarHBondContact O-NE 3.34Å |
| 12 | K | 84.7 | Confident | 75 | Confident | 150 Ų | 150 | 124 Ų | 124 | 65% | 0.652 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69 | -43 | 174.5 | -172.5 | 178.7 | 179.9 | -178 | 0 | 111.6 | E8 D9 K10 R15 A16 | E8-K12 WeakPolarHBondContact O-CB 3.21Å; E8-K12 PolarHBondContact O-N 2.86Å; D9-K12 PolarHBondContact O-N 3.46Å; K10-K12 VanDerWaalsContact C-N 3.3Å; K10-K12 PolarHBondContact O-N 3.29Å; K12-R15 PolarHBondContact O-N 3Å; K12-A16 VanDerWaalsContact O-N 3.1Å; K12-A16 PolarHBondContact O-N 3.29Å |
| 13 | L | 83.6 | Confident | 75.7 | Confident | 83 Ų | 83 | 125.7 Ų | 125.7 | 44% | 0.435 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -59.2 | -51.3 | 175.8 | -158.3 | 85 | 0 | 0 | 0 | 110.7 | D9 K10 R15 A16 Y17 | D9-L13 WeakPolarHBondContact O-CB 3.47Å; D9-L13 PolarHBondContact O-N 3.43Å; K10-L13 PolarHBondContact O-N 3.19Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 3.46Å; L13-A16 PolarHBondContact O-N 3Å; L13-Y17 HydrophobicContact CD1-CD2 4.22Å; L13-Y17 HydrophobicContact CD1-CE2 3.65Å; L13-Y17 HydrophobicContact CG-CD2 3.85Å; L13-Y17 HydrophobicContact CG-CE2 3.81Å; L13-Y17 WeakPolarHBondContact O-CD2 3.15Å; L13-Y17 PolarHBondContact O-N 3.5Å |
| 14 | M | 83.9 | Confident | 76.3 | Confident | 95 Ų | 95 | 123.5 Ų | 123.5 | 47% | 0.468 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -59.5 | -41.5 | 179.6 | -68.2 | -68.9 | 141.6 | 0 | 0 | 111.9 | K10 A16 Y17 M18 | K10-M14 HydrophobicContact CG-CG 4.42Å; K10-M14 PolarHBondContact O-N 3.37Å; K10-M14 WeakPolarHBondContact O-CG 3.5Å; K10-M14 VanDerWaalsContact O-CG 3.22Å; K10-M14 WeakPolarHBondContact O-CB 3.22Å; M14-A16 VanDerWaalsContact C-N 3.29Å; M14-A16 PolarHBondContact O-N 2.92Å; M14-Y17 PolarHBondContact O-N 3.32Å; M14-M18 HydrophobicContact SD-CG 4.49Å; M14-M18 PolarHBondContact O-N 2.9Å; M14-M18 WeakPolarHBondContact O-CB 3.39Å; M14-M18 WeakPolarHBondContact O-CG 3.19Å |
| 15 | R | 83 | Confident | 77.1 | Confident | 185 Ų | 185 | 125.9 Ų | 125.9 | 70% | 0.698 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.1 | -24.5 | 175.9 | -80.9 | -174.4 | -104.1 | 177.9 | -8.6 | 114.4 | A11 K12 L13 Q19 | A11-R15 WeakPolarHBondContact O-CG 3.34Å; A11-R15 PolarHBondContact O-N 3.27Å; A11-R15 PolarHBondContact O-NE 3.34Å; K12-R15 PolarHBondContact O-N 3Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 3.46Å; R15-Q19 WeakPolarHBondContact O-CG 3.49Å; R15-Q19 PolarHBondContact O-NE2 2.99Å |
| 16 | A | 82.4 | Confident | 77.6 | Confident | 61 Ų | 61 | 130.2 Ų | 130.2 | 50% | 0.504 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -82.6 | -38 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K12 L13 M14 | K12-A16 VanDerWaalsContact O-N 3.1Å; K12-A16 PolarHBondContact O-N 3.29Å; L13-A16 PolarHBondContact O-N 3Å; M14-A16 VanDerWaalsContact C-N 3.29Å; M14-A16 PolarHBondContact O-N 2.92Å |
| 17 | Y | 78.9 | Confident | 78 | Confident | 185 Ų | 185 | 126.2 Ų | 126.2 | 73% | 0.725 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -97 | -20.5 | -173.6 | -68.9 | -74.3 | 0 | 0 | 0 | 114.8 | L13 M14 | L13-Y17 HydrophobicContact CD1-CD2 4.22Å; L13-Y17 HydrophobicContact CD1-CE2 3.65Å; L13-Y17 HydrophobicContact CG-CD2 3.85Å; L13-Y17 HydrophobicContact CG-CE2 3.81Å; L13-Y17 WeakPolarHBondContact O-CD2 3.15Å; L13-Y17 PolarHBondContact O-N 3.5Å; M14-Y17 PolarHBondContact O-N 3.32Å |
| 18 | M | 84.3 | Confident | 78.1 | Confident | 145 Ų | 145 | 131.4 Ų | 131.4 | 71% | 0.714 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -101.2 | 21.6 | 177.7 | -56.3 | -65.1 | -68.6 | 0 | 0 | 112 | M14 E20 | M14-M18 HydrophobicContact SD-CG 4.49Å; M14-M18 PolarHBondContact O-N 2.9Å; M14-M18 WeakPolarHBondContact O-CB 3.39Å; M14-M18 WeakPolarHBondContact O-CG 3.19Å; M18-E20 PolarHBondContact O-N 3.05Å |
| 19 | Q | 79.1 | Confident | 77.5 | Confident | 147 Ų | 147 | 134.7 Ų | 134.7 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 121.7 | 169.5 | -59.7 | -163.1 | -10.1 | 0 | 0 | 107.8 | R15 | R15-Q19 WeakPolarHBondContact O-CG 3.49Å; R15-Q19 PolarHBondContact O-NE2 2.99Å |
| 20 | E | 75.6 | Confident | 77.4 | Confident | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 130.3 | 175 | -70.2 | -177.6 | 160.8 | 0 | 0 | 108.5 | M18 L22 | M18-E20 PolarHBondContact O-N 3.05Å; E20-L22 PolarHBondContact O-N 2.76Å |
| 21 | P | 76.9 | Confident | 77.3 | Confident | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 137.6 | 174.9 | 24 | -31.3 | 0 | 0 | 0 | 108.3 | F23 | P21-F23 VanDerWaalsContact C-N 3.3Å; P21-F23 PolarHBondContact O-N 3.04Å |
| 22 | L | 73.9 | Confident | 77 | Confident | 168 Ų | 168 | 143.1 Ų | 143.1 | 88% | 0.88 | 73% | 0.731 | S | S | * | * | | | trans | -60.7 | 99.1 | 171.9 | -67.9 | 174.3 | 0 | 0 | 0 | 107.3 | E20 V24 | E20-L22 PolarHBondContact O-N 2.76Å; L22-V24 PolarHBondContact O-N 3.03Å; L22-V24 VanDerWaalsContact C-N 3.26Å |
| 23 | F | 72.5 | Confident | 76.5 | Confident | 173 Ų | 173 | 142.6 Ų | 142.6 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | | | trans | -72.1 | 93.9 | 173.6 | -145.8 | -100.2 | 0 | 0 | 0 | 105.4 | P21 E25 | P21-F23 VanDerWaalsContact C-N 3.3Å; P21-F23 PolarHBondContact O-N 3.04Å; F23-E25 HydrophobicContact CD1-CG 3.63Å; F23-E25 HydrophobicContact CE1-CG 4.18Å; F23-E25 PolarHBondContact O-N 3.49Å |
| 24 | V | 73.9 | Confident | 76.1 | Confident | 97 Ų | 97 | 146.4 Ų | 146.4 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | | | trans | -72 | 88.2 | 167.5 | -177.5 | 0 | 0 | 0 | 0 | 104.8 | L22 F26 | L22-V24 PolarHBondContact O-N 3.03Å; L22-V24 VanDerWaalsContact C-N 3.26Å; V24-F26 HydrophobicContact CG1-CD2 4.49Å; V24-F26 HydrophobicContact CG1-CE2 4.39Å; V24-F26 HydrophobicContact CG1-CZ 4.43Å; V24-F26 WeakPolarHBondContact O-CD2 3.45Å; V24-F26 PolarHBondContact O-N 3.03Å |
| 25 | E | 74.8 | Confident | 75.5 | Confident | 155 Ų | 155 | 149.8 Ų | 149.8 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | -61.4 | 107.9 | 161.9 | -67.4 | -168.5 | 166.6 | 0 | 0 | 105.5 | F23 A27 | F23-E25 HydrophobicContact CD1-CG 3.63Å; F23-E25 HydrophobicContact CE1-CG 4.18Å; F23-E25 PolarHBondContact O-N 3.49Å; E25-A27 PolarHBondContact O-N 2.84Å |
| 26 | F | 73.6 | Confident | 75 | Confident | 198 Ų | 198 | 147.3 Ų | 147.3 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | | | trans | -68.3 | 76.5 | 171.3 | -70.8 | -92.2 | 0 | 0 | 0 | 107.7 | V24 | V24-F26 HydrophobicContact CG1-CD2 4.49Å; V24-F26 HydrophobicContact CG1-CE2 4.39Å; V24-F26 HydrophobicContact CG1-CZ 4.43Å; V24-F26 WeakPolarHBondContact O-CD2 3.45Å; V24-F26 PolarHBondContact O-N 3.03Å |
| 27 | A | 73.7 | Confident | 74.4 | Confident | 79 Ų | 79 | 153.9 Ų | 153.9 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | | | trans | -86.4 | 118.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | E25 | E25-A27 PolarHBondContact O-N 2.84Š|
| 28 | D | 69.7 | Low | 74.1 | Confident | 156 Ų | 156 | 151.3 Ų | 151.3 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | trans | 81.4 | 85.8 | 167.1 | -57.9 | -23.6 | 0 | 0 | 0 | 118.5 | | |
| 29 | C | 61 | Low | 73.2 | Confident | 212 Ų | 212 | 151.9 Ų | 151.9 | 100% | 1.432 | 82% | 0.815 | S | S | * | * | | | | 178.8 | 0 | 107.9 | -93 | 0 | 0 | 0 | 0 | 112.5 | | |