| 1 | M | 49.6 | Very low | 61.4 | Low | 238 Ų | 238 | 131.6 Ų | 131.6 | 100% | 1.172 | 82% | 0.824 | S | S | * | * | | | | 0 | 110.9 | 0 | -175.5 | 174.4 | 72.2 | 0 | 0 | 107.7 | T3 | M1-T3 PolarHBondContact O-N 3.5Š|
| 2 | L | 46.7 | Very low | 62.2 | Low | 159 Ų | 159 | 136.2 Ų | 136.2 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | | | trans | -56.9 | 111.3 | 171.9 | -176.3 | 75.2 | 0 | 0 | 0 | 108.8 | | |
| 3 | T | 53.9 | Low | 63.3 | Low | 127 Ų | 127 | 133.5 Ų | 133.5 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | | | | 70.5 | 123.7 | 90 | -51.6 | 0 | 0 | 0 | 0 | 114.8 | M1 | M1-T3 PolarHBondContact O-N 3.5Š|
| 4 | G | 59.8 | Low | 64.2 | Low | 74 Ų | 74 | 132.8 Ų | 132.8 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | | | trans | 175.8 | 86.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 5 | A | 64.7 | Low | 64.7 | Low | 91 Ų | 91 | 128.9 Ų | 128.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | -71.9 | 141.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 6 | T | 62.3 | Low | 65.5 | Low | 127 Ų | 127 | 124.4 Ų | 124.4 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | 23.6 | 110.2 | 143.8 | -5.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 7 | G | 67 | Low | 66.1 | Low | 77 Ų | 77 | 124.5 Ų | 124.5 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 126.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 8 | L | 61.1 | Low | 66.6 | Low | 164 Ų | 164 | 126.4 Ų | 126.4 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 119.7 | 168.3 | -65 | 173.1 | 0 | 0 | 0 | 108.5 | | |
| 9 | S | 72.2 | Confident | 66.9 | Low | 115 Ų | 115 | 124.9 Ų | 124.9 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 131.6 | 171.8 | 56.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 10 | I | 62.7 | Low | 67.3 | Low | 159 Ų | 159 | 122 Ų | 122 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 118.1 | 178.9 | -51.7 | 174.7 | 0 | 0 | 0 | 108.4 | | |
| 11 | T | 75 | Confident | 67.4 | Low | 117 Ų | 117 | 119.1 Ų | 119.1 | 72% | 0.718 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 123.7 | 171.2 | -58.3 | 0 | 0 | 0 | 0 | 109.2 | T13 | T11-T13 PolarHBondContact O-N 3.42Š|
| 12 | M | 71.6 | Confident | 68.4 | Low | 186 Ų | 186 | 113.2 Ų | 113.2 | 92% | 0.916 | 69% | 0.69 | S | S | * | * | | | trans | -79.4 | 102.2 | 175.2 | -69 | -171.9 | -72.4 | 0 | 0 | 110.2 | | |
| 13 | T | 75.8 | Confident | 69.7 | Low | 102 Ų | 102 | 109.9 Ų | 109.9 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | | | trans | -98.5 | 123.1 | 172.5 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | T11 L15 | T11-T13 PolarHBondContact O-N 3.42Å; T13-L15 PolarHBondContact O-N 3.06Å; T13-L15 HydrophobicContact CG2-CD2 4.2Å |
| 14 | S | 76.9 | Confident | 70.6 | Confident | 123 Ų | 123 | 109.1 Ų | 109.1 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | | | trans | -71.6 | 115.8 | 171.9 | 56.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 15 | L | 71.1 | Confident | 70.9 | Confident | 74 Ų | 74 | 110.3 Ų | 110.3 | 39% | 0.387 | 65% | 0.653 | S | S | . | * | | | trans | -103.2 | 150 | 175.6 | -65.8 | 173.7 | 0 | 0 | 0 | 110 | T13 Q19 T20 L23 | T13-L15 PolarHBondContact O-N 3.06Å; T13-L15 HydrophobicContact CG2-CD2 4.2Å; L15-Q19 HydrophobicContact CB-CB 4.16Å; L15-T20 HydrophobicContact CB-CG2 3.83Å; L15-L23 HydrophobicContact CD1-CD1 3.33Å |
| 16 | S | 78.3 | Confident | 70.8 | Confident | 58 Ų | 58 | 109.5 Ų | 109.5 | 41% | 0.406 | 64% | 0.641 | S | S | . | * | | | trans | -63.4 | 155 | 173.9 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | Q18 Q19 T20 | S16-Q18 PolarHBondContact O-N 3.5Å; S16-Q18 VanDerWaalsContact O-N 3.12Å; S16-Q19 PolarHBondContact OG-OE1 3.05Å; S16-Q19 WeakPolarHBondContact OG-CG 3.48Å; S16-Q19 VanDerWaalsContact OG-CD 3.32Å; S16-Q19 PolarHBondContact O-N 3.4Å; S16-T20 PolarHBondContact O-N 3.1Å; S16-T20 PolarHBondContact O-OG1 3.49Å |
| 17 | V | 75.2 | Confident | 71 | Confident | 126 Ų | 126 | 108 Ų | 108 | 76% | 0.764 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -55.2 | -32.7 | -179.3 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | T20 S21 | V17-T20 WeakPolarHBondContact CA-OG1 3.45Å; V17-T20 PolarHBondContact O-OG1 3.26Å; V17-S21 PolarHBondContact O-N 3.16Å |
| 18 | Q | 75.5 | Confident | 70.9 | Confident | 158 Ų | 158 | 109.3 Ų | 109.3 | 74% | 0.738 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.8 | -39.2 | 176.4 | -170.4 | 175.7 | 41.4 | 0 | 0 | 112.1 | S16 S21 L22 | S16-Q18 PolarHBondContact O-N 3.5Å; S16-Q18 VanDerWaalsContact O-N 3.12Å; Q18-S21 PolarHBondContact O-N 3.07Å; Q18-L22 PolarHBondContact O-N 3.18Å |
| 19 | Q | 72.2 | Confident | 71 | Confident | 99 Ų | 99 | 110.6 Ų | 110.6 | 46% | 0.463 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.9 | -35.6 | -179.9 | -71.5 | 169.7 | -50.5 | 0 | 0 | 112 | L15 S16 S21 L22 L23 | L15-Q19 HydrophobicContact CB-CB 4.16Å; S16-Q19 PolarHBondContact OG-OE1 3.05Å; S16-Q19 WeakPolarHBondContact OG-CG 3.48Å; S16-Q19 VanDerWaalsContact OG-CD 3.32Å; S16-Q19 PolarHBondContact O-N 3.4Å; Q19-S21 VanDerWaalsContact C-N 3.33Å; Q19-L22 PolarHBondContact O-N 2.9Å; Q19-L23 PolarHBondContact O-N 3.06Å |
| 20 | T | 73.8 | Confident | 70.5 | Confident | 65 Ų | 65 | 108.3 Ų | 108.3 | 40% | 0.399 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.4 | -39.4 | 174.8 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | L15 S16 V17 L22 L23 D24 | L15-T20 HydrophobicContact CB-CG2 3.83Å; S16-T20 PolarHBondContact O-N 3.1Å; S16-T20 PolarHBondContact O-OG1 3.49Å; V17-T20 WeakPolarHBondContact CA-OG1 3.45Å; V17-T20 PolarHBondContact O-OG1 3.26Å; T20-L22 PolarHBondContact O-N 3.33Å; T20-L23 PolarHBondContact O-N 3.48Å; T20-D24 WeakPolarHBondContact O-CB 3.3Å; T20-D24 PolarHBondContact O-N 2.84Å |
| 21 | S | 69.3 | Low | 70.3 | Confident | 62 Ų | 62 | 105.7 Ų | 105.7 | 43% | 0.434 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.7 | -37.7 | 176.9 | -177.4 | 0 | 0 | 0 | 0 | 113.2 | V17 Q18 Q19 N25 | V17-S21 PolarHBondContact O-N 3.16Å; Q18-S21 PolarHBondContact O-N 3.07Å; Q19-S21 VanDerWaalsContact C-N 3.33Å; S21-N25 PolarHBondContact O-N 3.18Å; S21-N25 PolarHBondContact O-ND2 2.81Å |
| 22 | L | 71.9 | Confident | 69.6 | Low | 115 Ų | 115 | 104.3 Ų | 104.3 | 60% | 0.602 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.5 | -37.8 | 176.4 | -67.2 | 175.7 | 0 | 0 | 0 | 112.3 | Q18 Q19 T20 S26 | Q18-L22 PolarHBondContact O-N 3.18Å; Q19-L22 PolarHBondContact O-N 2.9Å; T20-L22 PolarHBondContact O-N 3.33Å; L22-S26 PolarHBondContact O-OG 3.29Å; L22-S26 PolarHBondContact O-N 3.33Å |
| 23 | L | 72.9 | Confident | 69 | Low | 88 Ų | 88 | 101.9 Ų | 101.9 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 175.7 | -71.4 | 175.2 | 0 | 0 | 0 | 112.1 | L15 Q19 T20 N25 S26 I27 | L15-L23 HydrophobicContact CD1-CD1 3.33Å; Q19-L23 PolarHBondContact O-N 3.06Å; T20-L23 PolarHBondContact O-N 3.48Å; L23-N25 VanDerWaalsContact C-N 3.35Å; L23-N25 PolarHBondContact O-N 3.45Å; L23-S26 WeakPolarHBondContact O-CB 3.28Å; L23-S26 PolarHBondContact O-N 3.32Å; L23-I27 VanDerWaalsContact O-CG1 3.3Å; L23-I27 WeakPolarHBondContact O-CG1 3.36Å; L23-I27 PolarHBondContact O-N 2.87Å |
| 24 | D | 74 | Confident | 68.2 | Low | 112 Ų | 112 | 101.8 Ų | 101.8 | 60% | 0.599 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.2 | -44.1 | 178.3 | -170 | 36 | 0 | 0 | 0 | 111.4 | T20 S26 I27 H28 | T20-D24 WeakPolarHBondContact O-CB 3.3Å; T20-D24 PolarHBondContact O-N 2.84Å; D24-S26 VanDerWaalsContact C-N 3.29Å; D24-S26 PolarHBondContact O-N 3.21Å; D24-I27 PolarHBondContact O-N 3.01Å; D24-H28 VanDerWaalsContact O-CB 3.3Å; D24-H28 WeakPolarHBondContact O-CB 3.3Å; D24-H28 PolarHBondContact O-N 2.84Å |
| 25 | N | 64.8 | Low | 67.3 | Low | 99 Ų | 99 | 105.5 Ų | 105.5 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.2 | -37.6 | 172.5 | -82.7 | -60.4 | 0 | 0 | 0 | 113.1 | S21 L23 R29 | S21-N25 PolarHBondContact O-N 3.18Å; S21-N25 PolarHBondContact O-ND2 2.81Å; L23-N25 VanDerWaalsContact C-N 3.35Å; L23-N25 PolarHBondContact O-N 3.45Å; N25-R29 WeakPolarHBondContact O-CB 3.35Å; N25-R29 PolarHBondContact O-N 3.05Å |
| 26 | S | 63.9 | Low | 66.6 | Low | 74 Ų | 74 | 105.2 Ų | 105.2 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.7 | -38.3 | 179.9 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | L22 L23 D24 S30 | L22-S26 PolarHBondContact O-OG 3.29Å; L22-S26 PolarHBondContact O-N 3.33Å; L23-S26 WeakPolarHBondContact O-CB 3.28Å; L23-S26 PolarHBondContact O-N 3.32Å; D24-S26 VanDerWaalsContact C-N 3.29Å; D24-S26 PolarHBondContact O-N 3.21Å; S26-S30 VanDerWaalsContact O-CB 3.28Å; S26-S30 WeakPolarHBondContact O-CB 3.45Å; S26-S30 PolarHBondContact O-N 3.24Å |
| 27 | I | 66.8 | Low | 65.4 | Low | 94 Ų | 94 | 107.5 Ų | 107.5 | 48% | 0.482 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.1 | -43.3 | 176 | -67 | 166.1 | 0 | 0 | 0 | 110.1 | L23 D24 S30 Q31 | L23-I27 VanDerWaalsContact O-CG1 3.3Å; L23-I27 WeakPolarHBondContact O-CG1 3.36Å; L23-I27 PolarHBondContact O-N 2.87Å; D24-I27 PolarHBondContact O-N 3.01Å; I27-S30 PolarHBondContact O-N 2.9Å; I27-Q31 WeakPolarHBondContact O-CG 3.45Å; I27-Q31 PolarHBondContact O-N 3.38Å |
| 28 | H | 64.7 | Low | 64.5 | Low | 106 Ų | 106 | 110.2 Ų | 110.2 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.1 | -49.9 | 176.4 | -173.5 | 51.9 | 0 | 0 | 0 | 111.5 | D24 S30 Q31 D32 | D24-H28 VanDerWaalsContact O-CB 3.3Å; D24-H28 WeakPolarHBondContact O-CB 3.3Å; D24-H28 PolarHBondContact O-N 2.84Å; H28-S30 VanDerWaalsContact C-N 3.29Å; H28-S30 PolarHBondContact O-N 2.83Å; H28-Q31 PolarHBondContact O-N 3.5Å; H28-D32 IonicContact CE1-OD2 3.79Å; H28-D32 IonicContact NE2-OD2 3.83Å; H28-D32 PolarHBondContact O-N 3.32Å |
| 29 | R | 62.7 | Low | 63.9 | Low | 191 Ų | 191 | 107.8 Ų | 107.8 | 72% | 0.721 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.4 | -37 | 175.3 | -173.9 | 177.4 | 179.1 | 138.8 | 1.5 | 112.9 | N25 Q33 | N25-R29 WeakPolarHBondContact O-CB 3.35Å; N25-R29 PolarHBondContact O-N 3.05Å; R29-Q33 WeakPolarHBondContact O-CB 3.33Å; R29-Q33 VanDerWaalsContact O-N 3.16Å; R29-Q33 PolarHBondContact O-N 3.28Å |
| 30 | S | 60.7 | Low | 63.5 | Low | 67 Ų | 67 | 108.3 Ų | 108.3 | 47% | 0.469 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.7 | -34.9 | 178 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | S26 I27 H28 Q33 T34 | S26-S30 VanDerWaalsContact O-CB 3.28Å; S26-S30 WeakPolarHBondContact O-CB 3.45Å; S26-S30 PolarHBondContact O-N 3.24Å; I27-S30 PolarHBondContact O-N 2.9Å; H28-S30 VanDerWaalsContact C-N 3.29Å; H28-S30 PolarHBondContact O-N 2.83Å; S30-Q33 PolarHBondContact O-N 3.43Å; S30-T34 PolarHBondContact O-N 3.39Å; S30-T34 PolarHBondContact O-OG1 3.5Å |
| 31 | Q | 59.5 | Low | 62.9 | Low | 104 Ų | 104 | 110.7 Ų | 110.7 | 49% | 0.486 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.8 | -39.8 | 175.2 | -75.3 | -174.6 | -1.9 | 0 | 0 | 112.5 | I27 H28 Q33 T34 R35 | I27-Q31 WeakPolarHBondContact O-CG 3.45Å; I27-Q31 PolarHBondContact O-N 3.38Å; H28-Q31 PolarHBondContact O-N 3.5Å; Q31-Q33 VanDerWaalsContact C-N 3.31Å; Q31-Q33 PolarHBondContact O-N 2.91Å; Q31-T34 PolarHBondContact O-N 3.38Å; Q31-R35 VanDerWaalsContact O-N 3.1Å; Q31-R35 PolarHBondContact O-N 3Å |
| 32 | D | 59.8 | Low | 62.6 | Low | 87 Ų | 87 | 113.5 Ų | 113.5 | 47% | 0.465 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.2 | -38.3 | 175 | -68 | -27.9 | 0 | 0 | 0 | 111.6 | H28 R35 G36 | H28-D32 IonicContact CE1-OD2 3.79Å; H28-D32 IonicContact NE2-OD2 3.83Å; H28-D32 PolarHBondContact O-N 3.32Å; D32-R35 PolarHBondContact O-N 2.95Å; D32-G36 PolarHBondContact O-N 2.79Å |
| 33 | Q | 59.8 | Low | 62 | Low | 135 Ų | 135 | 113.4 Ų | 113.4 | 63% | 0.631 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.9 | -38.2 | 174.9 | -172.9 | 173.5 | -22.8 | 0 | 0 | 112.5 | R29 S30 Q31 R35 G36 T37 | R29-Q33 WeakPolarHBondContact O-CB 3.33Å; R29-Q33 VanDerWaalsContact O-N 3.16Å; R29-Q33 PolarHBondContact O-N 3.28Å; S30-Q33 PolarHBondContact O-N 3.43Å; Q31-Q33 VanDerWaalsContact C-N 3.31Å; Q31-Q33 PolarHBondContact O-N 2.91Å; Q33-R35 VanDerWaalsContact C-N 3.34Å; Q33-R35 PolarHBondContact O-N 3.12Å; Q33-G36 PolarHBondContact O-N 3.25Å; Q33-T37 PolarHBondContact O-N 3.28Å; Q33-T37 PolarHBondContact O-OG1 3.18Å |
| 34 | T | 57.4 | Low | 61.2 | Low | 100 Ų | 100 | 115.1 Ų | 115.1 | 61% | 0.613 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.5 | -27.8 | 179.2 | -51.9 | 0 | 0 | 0 | 0 | 112.3 | S30 Q31 | S30-T34 PolarHBondContact O-N 3.39Å; S30-T34 PolarHBondContact O-OG1 3.5Å; Q31-T34 PolarHBondContact O-N 3.38Å |
| 35 | R | 58.3 | Low | 60.3 | Low | 201 Ų | 201 | 115.4 Ų | 115.4 | 76% | 0.758 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -84.1 | -22.6 | 174.6 | -77.5 | 178.7 | 171.3 | 150.9 | -2 | 114 | Q31 D32 Q33 T37 | Q31-R35 VanDerWaalsContact O-N 3.1Å; Q31-R35 PolarHBondContact O-N 3Å; D32-R35 PolarHBondContact O-N 2.95Å; Q33-R35 VanDerWaalsContact C-N 3.34Å; Q33-R35 PolarHBondContact O-N 3.12Å; R35-T37 VanDerWaalsContact C-N 3.34Å |
| 36 | G | 56.8 | Low | 60 | Low | 68 Ų | 68 | 116.6 Ų | 116.6 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -82.1 | -6.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D32 Q33 | D32-G36 PolarHBondContact O-N 2.79Å; Q33-G36 PolarHBondContact O-N 3.25Å |
| 37 | T | 53.7 | Low | 59.7 | Low | 106 Ų | 106 | 120.2 Ų | 120.2 | 65% | 0.65 | 65% | 0.646 | S | S | * | * | | | trans | -123.3 | 76.3 | 177.8 | 63.9 | 0 | 0 | 0 | 0 | 110.4 | Q33 R35 | Q33-T37 PolarHBondContact O-N 3.28Å; Q33-T37 PolarHBondContact O-OG1 3.18Å; R35-T37 VanDerWaalsContact C-N 3.34Å |
| 38 | S | 55.6 | Low | 59 | Low | 183 Ų | 183 | 122.5 Ų | 122.5 | 100% | 1.28 | 66% | 0.66 | S | S | * | * | | | trans | -102.5 | 0 | 165.9 | 63.2 | 0 | 0 | 0 | 0 | 110.5 | | |