| 1 | M | 47.5 | Very low | 55.6 | Low | 241 Ų | 241 | 143.3 Ų | 143.3 | 100% | 1.187 | 77% | 0.766 | S | S | * | * | | | | 0 | 113 | 0 | -73 | -80.3 | 101.6 | 0 | 0 | 107 | | |
| 2 | S | 51.2 | Low | 55.9 | Low | 124 Ų | 124 | 147.3 Ų | 147.3 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 134.4 | -169.1 | -177 | 0 | 0 | 0 | 0 | 111.7 | | |
| 3 | S | 47.7 | Very low | 56.7 | Low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 145.1 | 171.7 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 4 | P | 61.1 | Low | 57.5 | Low | 114 Ų | 114 | 136.4 Ų | 136.4 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 145.5 | 175.3 | -18.3 | 30.8 | 0 | 0 | 0 | 111.7 | K6 | P4-K6 PolarHBondContact O-N 2.97Š|
| 5 | P | 53.2 | Low | 58.1 | Low | 103 Ų | 103 | 136.5 Ų | 136.5 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -67 | 132.3 | -178.5 | 27.8 | -32.4 | 0 | 0 | 0 | 110.4 | E7 | P5-E7 HydrophobicContact CB-CG 4.46Å; P5-E7 PolarHBondContact O-N 2.84Å |
| 6 | K | 57.6 | Low | 58.7 | Low | 211 Ų | 211 | 134.3 Ų | 134.3 | 92% | 0.917 | 74% | 0.743 | S | S | * | * | | | trans | -75.2 | 70.4 | 168.2 | -69.5 | 176.7 | -178.9 | 165.6 | 0 | 108.7 | P4 K8 | P4-K6 PolarHBondContact O-N 2.97Å; K6-K8 PolarHBondContact O-N 3.06Å |
| 7 | E | 57.3 | Low | 59.3 | Low | 159 Ų | 159 | 130.8 Ų | 130.8 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | trans | -68 | 131.1 | 166.2 | -76.5 | -176.2 | 168.2 | 0 | 0 | 108.5 | P5 V9 | P5-E7 HydrophobicContact CB-CG 4.46Å; P5-E7 PolarHBondContact O-N 2.84Å; E7-V9 PolarHBondContact O-N 3.45Å |
| 8 | K | 56 | Low | 59.8 | Low | 204 Ų | 204 | 128.5 Ų | 128.5 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | | | trans | -65.1 | 96.9 | -178.2 | -53.1 | 175.5 | -170.4 | 177.3 | 0 | 106.9 | K6 E10 | K6-K8 PolarHBondContact O-N 3.06Å; K8-E10 PolarHBondContact O-N 2.7Å |
| 9 | V | 59.7 | Low | 60.6 | Low | 81 Ų | 81 | 126.6 Ų | 126.6 | 49% | 0.491 | 72% | 0.72 | S | S | . | * | | | trans | -60.2 | 114.7 | 174.7 | -176.2 | 0 | 0 | 0 | 0 | 106.7 | E7 T11 L16 P17 | E7-V9 PolarHBondContact O-N 3.45Å; V9-T11 VanDerWaalsContact C-N 3.33Å; V9-T11 PolarHBondContact O-N 3.05Å; V9-L16 HydrophobicContact CB-CD2 3.82Å; V9-L16 HydrophobicContact CG1-CD2 3.51Å; V9-L16 HydrophobicContact CG2-CD2 4.32Å; V9-P17 VanDerWaalsContact CG1-CD 3.46Å; V9-P17 HydrophobicContact CG1-CG 3.96Å |
| 10 | E | 60.3 | Low | 61.1 | Low | 170 Ų | 170 | 127.2 Ų | 127.2 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | | | trans | -58.3 | 99.2 | 174.7 | -74.2 | -175.6 | 168.9 | 0 | 0 | 108.4 | K8 | K8-E10 PolarHBondContact O-N 2.7Š|
| 11 | T | 60.6 | Low | 61.5 | Low | 66 Ų | 66 | 123.7 Ų | 123.7 | 41% | 0.405 | 70% | 0.701 | S | S | . | * | | | trans | -92.2 | 104.7 | 178.1 | 42 | 0 | 0 | 0 | 0 | 107.3 | V9 G13 H15 L16 | V9-T11 VanDerWaalsContact C-N 3.33Å; V9-T11 PolarHBondContact O-N 3.05Å; T11-G13 PolarHBondContact O-N 2.72Å; T11-H15 VanDerWaalsContact CA-O 3.29Å; T11-H15 WeakPolarHBondContact CA-O 3.33Å; T11-L16 HydrophobicContact CG2-CD2 3.66Å; T11-L16 HydrophobicContact CG2-CG 4.39Å |
| 12 | K | 59.3 | Low | 62.6 | Low | 191 Ų | 191 | 116.6 Ų | 116.6 | 83% | 0.83 | 69% | 0.69 | S | S | * | * | B | Isolated β-bridge | trans | -70.6 | 103.5 | 171.2 | -74.1 | -173.8 | 178.5 | -178 | 0 | 107.6 | H15 | K12-H15 PolarHBondContact N-O 2.75Å |
| 13 | G | 65.3 | Low | 63.6 | Low | 86 Ų | 86 | 113.5 Ų | 113.5 | 89% | 0.887 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.6 | 31.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T11 H15 | T11-G13 PolarHBondContact O-N 2.72Å; G13-H15 VanDerWaalsContact C-N 3.32Å; G13-H15 PolarHBondContact O-N 3.41Å |
| 14 | G | 68.1 | Low | 64.9 | Low | 57 Ų | 57 | 115.5 Ų | 115.5 | 59% | 0.588 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.4 | -4.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 15 | H | 66.9 | Low | 65.6 | Low | 138 Ų | 138 | 120.3 Ų | 120.3 | 64% | 0.639 | 68% | 0.681 | S | S | * | * | B | Isolated β-bridge | trans | -98.1 | 137.2 | 172.9 | -88.7 | -36.9 | 0 | 0 | 0 | 112.7 | T11 K12 G13 | T11-H15 VanDerWaalsContact CA-O 3.29Å; T11-H15 WeakPolarHBondContact CA-O 3.33Å; K12-H15 PolarHBondContact N-O 2.75Å; G13-H15 VanDerWaalsContact C-N 3.32Å; G13-H15 PolarHBondContact O-N 3.41Å |
| 16 | L | 66.9 | Low | 66.5 | Low | 100 Ų | 100 | 119.8 Ų | 119.8 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 142.7 | 175.2 | -61.9 | 173 | 0 | 0 | 0 | 109.8 | V9 T11 A18 | V9-L16 HydrophobicContact CB-CD2 3.82Å; V9-L16 HydrophobicContact CG1-CD2 3.51Å; V9-L16 HydrophobicContact CG2-CD2 4.32Å; T11-L16 HydrophobicContact CG2-CD2 3.66Å; T11-L16 HydrophobicContact CG2-CG 4.39Å; L16-A18 PolarHBondContact O-N 2.79Å |
| 17 | P | 68.8 | Low | 67.3 | Low | 76 Ų | 76 | 114.8 Ų | 114.8 | 49% | 0.494 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 137.5 | 176.4 | 25.4 | -32.2 | 0 | 0 | 0 | 110.5 | V9 V19 | V9-P17 VanDerWaalsContact CG1-CD 3.46Å; V9-P17 HydrophobicContact CG1-CG 3.96Å; P17-V19 PolarHBondContact O-N 3.39Å |
| 18 | A | 69.9 | Low | 68 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 74% | 0.736 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 121.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | L16 K20 | L16-A18 PolarHBondContact O-N 2.79Å; A18-K20 PolarHBondContact O-N 2.94Å |
| 19 | V | 73.9 | Confident | 68.9 | Low | 92 Ų | 92 | 111.8 Ų | 111.8 | 56% | 0.558 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 125.7 | -178.2 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | P17 I26 | P17-V19 PolarHBondContact O-N 3.39Å; V19-I26 WeakPolarHBondContact O-CB 3.34Å; V19-I26 PolarHBondContact O-N 3.14Å; V19-I26 VanDerWaalsContact O-N 3.13Å |
| 20 | K | 70.9 | Confident | 69.1 | Low | 138 Ų | 138 | 114.8 Ų | 114.8 | 60% | 0.6 | 65% | 0.653 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.1 | 112.9 | 173.5 | -172.6 | 177.5 | -176.5 | 177.6 | 0 | 107.9 | A18 G23 M24 | A18-K20 PolarHBondContact O-N 2.94Å; K20-G23 WeakPolarHBondContact CE-O 3.37Å; K20-G23 PolarHBondContact NZ-O 3.17Å; K20-M24 WeakPolarHBondContact CG-O 3.43Å |
| 21 | A | 68.5 | Low | 69.2 | Low | 55 Ų | 55 | 114.8 Ų | 114.8 | 46% | 0.455 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109 | G23 M24 I26 | A21-G23 VanDerWaalsContact C-N 3.31Å; A21-G23 PolarHBondContact O-N 2.95Å; A21-M24 PolarHBondContact O-N 2.89Å; A21-I26 HydrophobicContact CB-CD1 3.81Å |
| 22 | G | 71.6 | Confident | 68.7 | Low | 91 Ų | 91 | 116.9 Ų | 116.9 | 94% | 0.938 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.4 | 33.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | M24 | G22-M24 PolarHBondContact O-N 3.29Š|
| 23 | G | 71.7 | Confident | 68.3 | Low | 60 Ų | 60 | 113.9 Ų | 113.9 | 62% | 0.619 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.8 | -2.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K20 A21 | K20-G23 WeakPolarHBondContact CE-O 3.37Å; K20-G23 PolarHBondContact NZ-O 3.17Å; A21-G23 VanDerWaalsContact C-N 3.31Å; A21-G23 PolarHBondContact O-N 2.95Å |
| 24 | M | 75.4 | Confident | 67.8 | Low | 144 Ų | 144 | 115.4 Ų | 115.4 | 71% | 0.709 | 66% | 0.66 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.5 | 139.9 | -176.7 | -155.9 | 118.7 | 80.2 | 0 | 0 | 111.7 | K20 A21 G22 I26 | K20-M24 WeakPolarHBondContact CG-O 3.43Å; A21-M24 PolarHBondContact O-N 2.89Å; G22-M24 PolarHBondContact O-N 3.29Å; M24-I26 PolarHBondContact O-N 2.83Å |
| 25 | R | 76.8 | Confident | 67.3 | Low | 215 Ų | 215 | 116.9 Ų | 116.9 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.1 | 176.8 | -70.3 | -173.8 | -179.4 | -173.6 | 1 | 109.3 | | |
| 26 | I | 72.2 | Confident | 66.8 | Low | 93 Ų | 93 | 116.2 Ų | 116.2 | 48% | 0.477 | 67% | 0.674 | S | S | . | * | | | trans | -94.9 | 119.5 | 174.7 | -58.1 | 175.5 | 0 | 0 | 0 | 108 | V19 A21 M24 Q28 | V19-I26 WeakPolarHBondContact O-CB 3.34Å; V19-I26 PolarHBondContact O-N 3.14Å; V19-I26 VanDerWaalsContact O-N 3.13Å; A21-I26 HydrophobicContact CB-CD1 3.81Å; M24-I26 PolarHBondContact O-N 2.83Å; I26-Q28 PolarHBondContact O-N 3.28Å |
| 27 | V | 74.1 | Confident | 66.2 | Low | 106 Ų | 106 | 120.1 Ų | 120.1 | 64% | 0.642 | 69% | 0.69 | S | S | * | * | | | trans | -80 | 104.1 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | K29 | V27-K29 HydrophobicContact CG1-CD 4.21Å; V27-K29 PolarHBondContact O-N 2.94Å; V27-K29 VanDerWaalsContact O-N 3.13Å |
| 28 | Q | 71.2 | Confident | 65.7 | Low | 123 Ų | 123 | 122 Ų | 122 | 58% | 0.575 | 70% | 0.703 | S | S | * | * | | | trans | -69.8 | 107 | 170.6 | -170.6 | 173 | 3.5 | 0 | 0 | 108.4 | I26 H30 | I26-Q28 PolarHBondContact O-N 3.28Å; Q28-H30 PolarHBondContact O-N 3.2Å |
| 29 | K | 73.9 | Confident | 64.8 | Low | 177 Ų | 177 | 123.7 Ų | 123.7 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 118.5 | 169.8 | -62 | -65.2 | -176.6 | 175.7 | 0 | 107.2 | V27 Q31 | V27-K29 HydrophobicContact CG1-CD 4.21Å; V27-K29 PolarHBondContact O-N 2.94Å; V27-K29 VanDerWaalsContact O-N 3.13Å; K29-Q31 PolarHBondContact O-N 2.9Å |
| 30 | H | 64.4 | Low | 63.6 | Low | 144 Ų | 144 | 127.8 Ų | 127.8 | 67% | 0.667 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 133.1 | 170.4 | -70.3 | -81.9 | 0 | 0 | 0 | 108.5 | Q28 | Q28-H30 PolarHBondContact O-N 3.2Š|
| 31 | Q | 61.9 | Low | 62.7 | Low | 170 Ų | 170 | 130.7 Ų | 130.7 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 134.6 | 163.7 | -79.4 | -76.4 | -6.5 | 0 | 0 | 107.6 | K29 T33 | K29-Q31 PolarHBondContact O-N 2.9Å; Q31-T33 PolarHBondContact O-N 2.69Å |
| 32 | P | 51.3 | Low | 61.5 | Low | 110 Ų | 110 | 134.7 Ų | 134.7 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | | | trans | -62.4 | 114.4 | 176.5 | 25.9 | -31.6 | 0 | 0 | 0 | 108.2 | | |
| 33 | T | 51.5 | Low | 60.6 | Low | 127 Ų | 127 | 137.5 Ų | 137.5 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 130.7 | 168.1 | -22.2 | 0 | 0 | 0 | 0 | 107.7 | Q31 A35 | Q31-T33 PolarHBondContact O-N 2.69Å; T33-A35 PolarHBondContact O-N 2.75Å |
| 34 | P | 53.8 | Low | 59.5 | Low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -58 | 133.2 | 172.2 | 23.6 | -31.5 | 0 | 0 | 0 | 109.1 | | |
| 35 | A | 56.7 | Low | 58.5 | Low | 89 Ų | 89 | 142.5 Ų | 142.5 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 131.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T33 | T33-A35 PolarHBondContact O-N 2.75Š|
| 36 | P | 56.7 | Low | 57.4 | Low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 139.2 | 160.9 | 27.7 | -30.2 | 0 | 0 | 0 | 109.2 | | |
| 37 | E | 55.9 | Low | 56.6 | Low | 182 Ų | 182 | 143.1 Ų | 143.1 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -49 | 143.9 | 178.5 | -69 | 179.1 | 154.2 | 0 | 0 | 112 | P39 | E37-P39 WeakPolarHBondContact O-CD 3.47Š|
| 38 | P | 56.3 | Low | 55.5 | Low | 117 Ų | 117 | 147.8 Ų | 147.8 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 125.7 | -178.9 | 27.6 | -32.8 | 0 | 0 | 0 | 109.7 | Q40 | P38-Q40 PolarHBondContact O-N 2.7Š|
| 39 | P | 52.6 | Low | 54.7 | Low | 123 Ų | 123 | 147.2 Ų | 147.2 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 141 | 165.7 | 25.1 | -30.6 | 0 | 0 | 0 | 109.2 | E37 | E37-P39 WeakPolarHBondContact O-CD 3.47Š|
| 40 | Q | 49.1 | Very low | 53.9 | Low | 179 Ų | 179 | 142.4 Ų | 142.4 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 150.1 | -179.2 | -68.7 | 171.6 | -82.6 | 0 | 0 | 111 | P38 D42 | P38-Q40 PolarHBondContact O-N 2.7Å; Q40-D42 PolarHBondContact O-N 3.41Å |
| 41 | K | 52 | Low | 53.8 | Low | 198 Ų | 198 | 140.8 Ų | 140.8 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | -59.9 | 106.7 | 174.9 | -60.8 | 174.6 | -178.9 | 178.7 | 0 | 108.8 | | |
| 42 | D | 43.3 | Very low | 53.9 | Low | 140 Ų | 140 | 135.8 Ų | 135.8 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | | | trans | -84.8 | 106.9 | 158.2 | -68.9 | -34 | 0 | 0 | 0 | 106.3 | Q40 D44 | Q40-D42 PolarHBondContact O-N 3.41Å; D42-D44 PolarHBondContact O-N 3.14Å |
| 43 | D | 51.9 | Low | 54.8 | Low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | | | trans | -65.5 | 78.4 | 163.2 | -86.3 | -57 | 0 | 0 | 0 | 108.1 | | |
| 44 | D | 48.3 | Very low | 55.7 | Low | 119 Ų | 119 | 135.3 Ų | 135.3 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | trans | -112.8 | 77.9 | 162 | -78.2 | -38.1 | 0 | 0 | 0 | 107.1 | D42 E46 | D42-D44 PolarHBondContact O-N 3.14Å; D44-E46 HydrophobicContact CB-CG 4.12Å; D44-E46 PolarHBondContact O-N 3.22Å |
| 45 | E | 54.4 | Low | 56.4 | Low | 190 Ų | 190 | 138.7 Ų | 138.7 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | | | trans | -63.2 | 64.3 | 146.5 | -81.1 | -179.8 | 159.7 | 0 | 0 | 108 | E47 | E45-E47 PolarHBondContact O-N 3.32Š|
| 46 | E | 53.5 | Low | 57.3 | Low | 154 Ų | 154 | 138 Ų | 138 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | -69.1 | 87.9 | 158.2 | -76.3 | -70 | 159.7 | 0 | 0 | 105.1 | D44 Y48 | D44-E46 HydrophobicContact CB-CG 4.12Å; D44-E46 PolarHBondContact O-N 3.22Å; E46-Y48 PolarHBondContact O-N 3Å |
| 47 | E | 56.2 | Low | 58 | Low | 167 Ų | 167 | 136.3 Ų | 136.3 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | | | trans | -45.9 | 86.9 | 161.3 | -165 | 175 | -145.2 | 0 | 0 | 107 | E45 V49 | E45-E47 PolarHBondContact O-N 3.32Å; E47-V49 HydrophobicContact CG-CG2 4.2Å; E47-V49 PolarHBondContact O-N 3Å |
| 48 | Y | 50 | Low | 59.2 | Low | 204 Ų | 204 | 132 Ų | 132 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | | | trans | -67.4 | 84.9 | 174.1 | -172.1 | -97.1 | 0 | 0 | 0 | 105.9 | E46 S50 | E46-Y48 PolarHBondContact O-N 3Å; Y48-S50 PolarHBondContact O-N 3.03Å |
| 49 | V | 54.9 | Low | 60.3 | Low | 111 Ų | 111 | 131.6 Ų | 131.6 | 67% | 0.673 | 71% | 0.709 | S | S | * | * | | | trans | -65.4 | 85.5 | 165.9 | -178.8 | 0 | 0 | 0 | 0 | 104.9 | E47 S51 | E47-V49 HydrophobicContact CG-CG2 4.2Å; E47-V49 PolarHBondContact O-N 3Å; V49-S51 PolarHBondContact O-N 3.23Å |
| 50 | S | 57.8 | Low | 61.6 | Low | 76 Ų | 76 | 129 Ų | 129 | 53% | 0.531 | 69% | 0.691 | S | S | . | * | | | trans | -61.4 | 93.6 | 164.8 | -172.1 | 0 | 0 | 0 | 0 | 105.4 | Y48 S52 | Y48-S50 PolarHBondContact O-N 3.03Å; S50-S52 PolarHBondContact O-N 2.98Å |
| 51 | S | 61.9 | Low | 63.3 | Low | 110 Ų | 110 | 126.5 Ų | 126.5 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | | | trans | -69.7 | 64.9 | 162.9 | 64.2 | 0 | 0 | 0 | 0 | 107.4 | V49 P53 | V49-S51 PolarHBondContact O-N 3.23Å; S51-P53 WeakPolarHBondContact O-CD 3.34Å |
| 52 | S | 64.3 | Low | 64.9 | Low | 65 Ų | 65 | 120.4 Ų | 120.4 | 46% | 0.455 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 121.5 | 172.4 | -177.8 | 0 | 0 | 0 | 0 | 106 | S50 | S50-S52 PolarHBondContact O-N 2.98Š|
| 53 | P | 69.4 | Low | 66.8 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 66% | 0.656 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 141.1 | 170.7 | 19.1 | -29.6 | 0 | 0 | 0 | 108.3 | S51 K55 | S51-P53 WeakPolarHBondContact O-CD 3.34Å; P53-K55 PolarHBondContact O-N 3.3Å |
| 54 | P | 71.2 | Confident | 68.4 | Low | 126 Ų | 126 | 115.2 Ų | 115.2 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -49 | 117.3 | -174.6 | 17.9 | -31.2 | 0 | 0 | 0 | 108.9 | A56 | P54-A56 PolarHBondContact O-N 3.07Š|
| 55 | K | 68 | Low | 70.1 | Confident | 188 Ų | 188 | 110.5 Ų | 110.5 | 82% | 0.817 | 64% | 0.641 | S | S | * | * | | | trans | -53.4 | 110.2 | -174.3 | -70 | 179.2 | -178.1 | 173.3 | 0 | 107.7 | P53 | P53-K55 PolarHBondContact O-N 3.3Š|
| 56 | A | 74.6 | Confident | 71.6 | Confident | 76 Ų | 76 | 108.9 Ų | 108.9 | 63% | 0.628 | 63% | 0.63 | S | S | * | * | | | trans | -56.5 | 139.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | P54 V58 | P54-A56 PolarHBondContact O-N 3.07Å; A56-V58 PolarHBondContact O-N 3.22Å |
| 57 | P | 72.7 | Confident | 73 | Confident | 87 Ų | 87 | 103.1 Ų | 103.1 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | | | trans | -56.5 | 115.3 | -179.9 | 20 | -30.1 | 0 | 0 | 0 | 109.5 | I59 V64 | P57-I59 PolarHBondContact O-N 3.39Å; P57-V64 HydrophobicContact CB-CG1 3.54Å; P57-V64 HydrophobicContact CB-CG2 4.4Å |
| 58 | V | 80.3 | Confident | 74.2 | Confident | 92 Ų | 92 | 101.8 Ų | 101.8 | 56% | 0.558 | 61% | 0.611 | S | S | * | * | | | trans | -74.6 | 118 | 178.2 | -180 | 0 | 0 | 0 | 0 | 107.3 | A56 V60 T65 | A56-V58 PolarHBondContact O-N 3.22Å; V58-V60 HydrophobicContact CG1-CG2 4.07Å; V58-T65 WeakPolarHBondContact O-CB 3.36Å; V58-T65 WeakPolarHBondContact O-CG2 3.34Å; V58-T65 PolarHBondContact O-N 3.44Å; V58-T65 PolarHBondContact O-OG1 2.99Å |
| 59 | I | 80.2 | Confident | 75.7 | Confident | 108 Ų | 108 | 100.3 Ų | 100.3 | 55% | 0.554 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.2 | 179.1 | -58 | 176 | 0 | 0 | 0 | 108.3 | P57 G62 V63 V64 | P57-I59 PolarHBondContact O-N 3.39Å; I59-G62 VanDerWaalsContact CG2-C 3.48Å; I59-V63 VanDerWaalsContact CA-O 3.32Å; I59-V63 WeakPolarHBondContact CA-O 3.32Å; I59-V64 HydrophobicContact CG1-CG2 4.12Å |
| 60 | V | 80.4 | Confident | 77 | Confident | 68 Ų | 68 | 98.6 Ų | 98.6 | 41% | 0.412 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.8 | 176 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | V58 G62 V63 T65 F71 | V58-V60 HydrophobicContact CG1-CG2 4.07Å; V60-G62 PolarHBondContact O-N 3.49Å; V60-V63 PolarHBondContact N-O 3.39Å; V60-V63 PolarHBondContact O-N 3.5Å; V60-V63 VanDerWaalsContact O-N 3.14Å; V60-T65 HydrophobicContact CB-CG2 3.79Å; V60-T65 HydrophobicContact CG2-CG2 3.76Å; V60-F71 HydrophobicContact CB-CZ 3.97Å; V60-F71 HydrophobicContact CG1-CZ 4.17Å; V60-F71 HydrophobicContact CG2-CE2 4.16Å; V60-F71 HydrophobicContact CG2-CZ 3.64Å |
| 61 | S | 83.2 | Confident | 78.2 | Confident | 127 Ų | 127 | 99.9 Ų | 99.9 | 89% | 0.888 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.1 | 38.9 | -176.2 | -153.5 | 0 | 0 | 0 | 0 | 113.7 | V63 | S61-V63 VanDerWaalsContact C-N 3.32Å; S61-V63 PolarHBondContact O-N 3.02Å |
| 62 | G | 86.4 | Confident | 79.4 | Confident | 70 Ų | 70 | 97.6 Ų | 97.6 | 72% | 0.722 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.2 | -1.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I59 V60 | I59-G62 VanDerWaalsContact CG2-C 3.48Å; V60-G62 PolarHBondContact O-N 3.49Å |
| 63 | V | 82.8 | Confident | 80.3 | Confident | 96 Ų | 96 | 99.2 Ų | 99.2 | 58% | 0.582 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 133.6 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | I59 V60 S61 T65 | I59-V63 VanDerWaalsContact CA-O 3.32Å; I59-V63 WeakPolarHBondContact CA-O 3.32Å; V60-V63 PolarHBondContact N-O 3.39Å; V60-V63 PolarHBondContact O-N 3.5Å; V60-V63 VanDerWaalsContact O-N 3.14Å; S61-V63 VanDerWaalsContact C-N 3.32Å; S61-V63 PolarHBondContact O-N 3.02Å; V63-T65 PolarHBondContact O-N 3.34Å |
| 64 | V | 84.9 | Confident | 80.9 | Confident | 84 Ų | 84 | 97.2 Ų | 97.2 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.8 | 121 | 172.1 | 172.3 | 0 | 0 | 0 | 0 | 109.4 | P57 I59 | P57-V64 HydrophobicContact CB-CG1 3.54Å; P57-V64 HydrophobicContact CB-CG2 4.4Å; I59-V64 HydrophobicContact CG1-CG2 4.12Å |
| 65 | T | 84.3 | Confident | 81.5 | Confident | 21 Ų | 21 | 93.6 Ų | 93.6 | 13% | 0.129 | 56% | 0.555 | C | S | . | * | | | trans | -91.8 | 144.6 | -174.6 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | V58 V60 V63 G67 D70 F71 | V58-T65 WeakPolarHBondContact O-CB 3.36Å; V58-T65 WeakPolarHBondContact O-CG2 3.34Å; V58-T65 PolarHBondContact O-N 3.44Å; V58-T65 PolarHBondContact O-OG1 2.99Å; V60-T65 HydrophobicContact CB-CG2 3.79Å; V60-T65 HydrophobicContact CG2-CG2 3.76Å; V63-T65 PolarHBondContact O-N 3.34Å; T65-G67 PolarHBondContact O-N 3.23Å; T65-D70 WeakPolarHBondContact CA-OD2 3.42Å; T65-F71 HydrophobicContact CG2-CE2 3.5Å; T65-F71 HydrophobicContact CG2-CZ 3.74Å |
| 66 | K | 85.6 | Confident | 82.2 | Confident | 155 Ų | 155 | 87.7 Ų | 87.7 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | | | trans | -90.6 | 21.2 | -179.5 | -62.6 | 174 | -176.6 | 169.9 | 0 | 112.3 | D68 K69 D70 | K66-D68 PolarHBondContact O-N 2.68Å; K66-K69 HydrophobicContact CB-CB 4.03Å; K66-K69 HydrophobicContact CB-CD 4.33Å; K66-D70 PolarHBondContact N-OD2 3.09Å |
| 67 | G | 83.4 | Confident | 82.7 | Confident | 33 Ų | 33 | 90 Ų | 90 | 34% | 0.34 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | 65.4 | -125.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T65 K69 D70 F71 | T65-G67 PolarHBondContact O-N 3.23Å; G67-K69 PolarHBondContact O-N 2.92Å; G67-D70 PolarHBondContact O-N 2.84Å; G67-F71 PolarHBondContact O-N 3.15Å |
| 68 | D | 81.1 | Confident | 83.1 | Confident | 140 Ų | 140 | 90.2 Ų | 90.2 | 75% | 0.749 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -61.4 | -19.9 | -172.2 | -60.8 | -20.9 | 0 | 0 | 0 | 114.5 | K66 | K66-D68 PolarHBondContact O-N 2.68Š|
| 69 | K | 81.6 | Confident | 83.1 | Confident | 173 Ų | 173 | 90.1 Ų | 90.1 | 75% | 0.752 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -67.4 | -35.7 | 173.4 | -71.2 | -179.3 | 178.8 | 173 | 0 | 112.6 | K66 G67 | K66-K69 HydrophobicContact CB-CB 4.03Å; K66-K69 HydrophobicContact CB-CD 4.33Å; G67-K69 PolarHBondContact O-N 2.92Å |
| 70 | D | 82.6 | Confident | 83.4 | Confident | 75 Ų | 75 | 93 Ų | 93 | 40% | 0.401 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.7 | -25.3 | -178 | -61.1 | -22.6 | 0 | 0 | 0 | 111.3 | T65 K66 G67 | T65-D70 WeakPolarHBondContact CA-OD2 3.42Å; K66-D70 PolarHBondContact N-OD2 3.09Å; G67-D70 PolarHBondContact O-N 2.84Å |
| 71 | F | 82.4 | Confident | 83.7 | Confident | 102 Ų | 102 | 96.5 Ų | 96.5 | 45% | 0.447 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -123.2 | 73.3 | 179.9 | -55.9 | -72.1 | 0 | 0 | 0 | 111.7 | V60 T65 G67 | V60-F71 HydrophobicContact CB-CZ 3.97Å; V60-F71 HydrophobicContact CG1-CZ 4.17Å; V60-F71 HydrophobicContact CG2-CE2 4.16Å; V60-F71 HydrophobicContact CG2-CZ 3.64Å; T65-F71 HydrophobicContact CG2-CE2 3.5Å; T65-F71 HydrophobicContact CG2-CZ 3.74Å; G67-F71 PolarHBondContact O-N 3.15Å |
| 72 | T | 87.4 | Confident | 83.9 | Confident | 62 Ų | 62 | 99 Ų | 99 | 38% | 0.38 | 57% | 0.565 | S | S | . | * | | | trans | -65.1 | 153.5 | 174.1 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | A74 A75 A76 | T72-A74 PolarHBondContact O-N 2.97Å; T72-A74 VanDerWaalsContact O-N 3.14Å; T72-A75 WeakPolarHBondContact O-CA 3.47Å; T72-A75 WeakPolarHBondContact O-CB 3.5Å; T72-A75 PolarHBondContact O-N 3.07Å; T72-A75 PolarHBondContact OG1-N 2.97Å; T72-A76 PolarHBondContact O-N 3.33Å |
| 73 | P | 83.2 | Confident | 83.9 | Confident | 99 Ų | 99 | 101.6 Ų | 101.6 | 64% | 0.643 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -54.8 | -33.3 | 173.8 | -27 | 34.7 | 0 | 0 | 0 | 112.9 | A76 Q77 | P73-A76 PolarHBondContact O-N 3.15Å; P73-Q77 WeakPolarHBondContact O-CG 3.29Å; P73-Q77 PolarHBondContact O-N 2.89Å; P73-Q77 VanDerWaalsContact O-N 3.07Å |
| 74 | A | 82.7 | Confident | 84 | Confident | 60 Ų | 60 | 104.7 Ų | 104.7 | 50% | 0.496 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.4 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T72 A76 Q77 V78 | T72-A74 PolarHBondContact O-N 2.97Å; T72-A74 VanDerWaalsContact O-N 3.14Å; A74-A76 VanDerWaalsContact C-N 3.35Å; A74-Q77 WeakPolarHBondContact O-CB 3.44Å; A74-Q77 PolarHBondContact O-N 2.67Å; A74-V78 PolarHBondContact O-N 3.03Å |
| 75 | A | 82.8 | Confident | 84.1 | Confident | 49 Ų | 49 | 106 Ų | 106 | 41% | 0.405 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.2 | -39.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T72 Q77 V78 | T72-A75 WeakPolarHBondContact O-CA 3.47Å; T72-A75 WeakPolarHBondContact O-CB 3.5Å; T72-A75 PolarHBondContact O-N 3.07Å; T72-A75 PolarHBondContact OG1-N 2.97Å; A75-Q77 VanDerWaalsContact C-N 3.27Å; A75-Q77 PolarHBondContact O-N 2.88Å; A75-V78 WeakPolarHBondContact O-CB 2.83Å; A75-V78 PolarHBondContact O-N 3.46Å |
| 76 | A | 83 | Confident | 84.1 | Confident | 65 Ų | 65 | 108.9 Ų | 108.9 | 54% | 0.537 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.2 | -30.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | T72 P73 A74 V78 A79 | T72-A76 PolarHBondContact O-N 3.33Å; P73-A76 PolarHBondContact O-N 3.15Å; A74-A76 VanDerWaalsContact C-N 3.35Å; A76-V78 VanDerWaalsContact C-N 3.33Å; A76-A79 PolarHBondContact O-N 2.76Å |
| 77 | Q | 85.2 | Confident | 84 | Confident | 124 Ų | 124 | 106.9 Ų | 106.9 | 58% | 0.579 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.8 | -25.9 | 175.8 | -70.8 | 173.1 | 16.7 | 0 | 0 | 113.1 | P73 A74 A75 A79 H80 | P73-Q77 WeakPolarHBondContact O-CG 3.29Å; P73-Q77 PolarHBondContact O-N 2.89Å; P73-Q77 VanDerWaalsContact O-N 3.07Å; A74-Q77 WeakPolarHBondContact O-CB 3.44Å; A74-Q77 PolarHBondContact O-N 2.67Å; A75-Q77 VanDerWaalsContact C-N 3.27Å; A75-Q77 PolarHBondContact O-N 2.88Å; Q77-A79 PolarHBondContact O-N 3.13Å; Q77-H80 PolarHBondContact O-N 3.38Å |
| 78 | V | 82.3 | Confident | 83.9 | Confident | 92 Ų | 92 | 110.5 Ų | 110.5 | 56% | 0.558 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.8 | -32.8 | 176.9 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | A74 A75 A76 H80 Q81 | A74-V78 PolarHBondContact O-N 3.03Å; A75-V78 WeakPolarHBondContact O-CB 2.83Å; A75-V78 PolarHBondContact O-N 3.46Å; A76-V78 VanDerWaalsContact C-N 3.33Å; V78-H80 PolarHBondContact O-N 3.13Å; V78-H80 VanDerWaalsContact O-N 3.15Å; V78-Q81 PolarHBondContact O-N 3.41Å |
| 79 | A | 80.6 | Confident | 83.9 | Confident | 89 Ų | 89 | 113.7 Ų | 113.7 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -22.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A76 Q77 | A76-A79 PolarHBondContact O-N 2.76Å; Q77-A79 PolarHBondContact O-N 3.13Å |
| 80 | H | 85.9 | Confident | 83.9 | Confident | 169 Ų | 169 | 112.3 Ų | 112.3 | 78% | 0.782 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -6.7 | 177.2 | -60.2 | 91.8 | 0 | 0 | 0 | 112.8 | Q77 V78 | Q77-H80 PolarHBondContact O-N 3.38Å; V78-H80 PolarHBondContact O-N 3.13Å; V78-H80 VanDerWaalsContact O-N 3.15Å |
| 81 | Q | 86.9 | Confident | 83.9 | Confident | 142 Ų | 142 | 113.9 Ų | 113.9 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -87.5 | 135.9 | 174.3 | -63.3 | -160.4 | 8.9 | 0 | 0 | 110.6 | V78 | V78-Q81 PolarHBondContact O-N 3.41Š|
| 82 | K | 87.3 | Confident | 83.7 | Confident | 180 Ų | 180 | 114.3 Ų | 114.3 | 78% | 0.783 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 134 | 174.6 | -66 | -175.5 | -178.4 | -178.2 | 0 | 109.4 | Q84 | K82-Q84 PolarHBondContact O-N 3.03Å; K82-Q84 PolarHBondContact O-NE2 3.28Å |
| 83 | P | 86.6 | Confident | 83.1 | Confident | 124 Ų | 124 | 115 Ų | 115 | 81% | 0.805 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 131.5 | 178.1 | 24.4 | -32.4 | 0 | 0 | 0 | 109.9 | | |
| 84 | Q | 84.4 | Confident | 82.6 | Confident | 160 Ų | 160 | 118.3 Ų | 118.3 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 143 | 175.1 | -63.2 | -59 | -47 | 0 | 0 | 109.8 | K82 G86 | K82-Q84 PolarHBondContact O-N 3.03Å; K82-Q84 PolarHBondContact O-NE2 3.28Å; Q84-G86 PolarHBondContact O-N 3.44Å |
| 85 | P | 86.6 | Confident | 81.8 | Confident | 113 Ų | 113 | 123.5 Ų | 123.5 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 123.8 | 172.8 | -21.9 | 32.5 | 0 | 0 | 0 | 110.8 | V87 | P85-V87 VanDerWaalsContact C-N 3.26Å; P85-V87 PolarHBondContact O-N 3.13Å |
| 86 | G | 83.7 | Confident | 81.2 | Confident | 81 Ų | 81 | 126.3 Ų | 126.3 | 84% | 0.835 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -79.3 | -3.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q84 | Q84-G86 PolarHBondContact O-N 3.44Š|
| 87 | V | 84.1 | Confident | 80.4 | Confident | 112 Ų | 112 | 129.7 Ų | 129.7 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -109 | 126 | -178.6 | -174 | 0 | 0 | 0 | 0 | 108.8 | P85 | P85-V87 VanDerWaalsContact C-N 3.26Å; P85-V87 PolarHBondContact O-N 3.13Å |
| 88 | P | 81.9 | Confident | 79.7 | Confident | 109 Ų | 109 | 130.7 Ų | 130.7 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | | | trans | -60.1 | 141.6 | 174.3 | 25.7 | -33.1 | 0 | 0 | 0 | 109.6 | L90 | P88-L90 PolarHBondContact O-N 3.2Š|
| 89 | K | 80.8 | Confident | 79.2 | Confident | 208 Ų | 208 | 133.7 Ų | 133.7 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | | | trans | -59.1 | 115.6 | 178.6 | -168.3 | 170 | -177.3 | 177.3 | 0 | 108.5 | | |
| 90 | L | 80.9 | Confident | 79 | Confident | 143 Ų | 143 | 135.1 Ų | 135.1 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 142.2 | 176.3 | -66.6 | 173.8 | 0 | 0 | 0 | 109 | P88 | P88-L90 PolarHBondContact O-N 3.2Š|
| 91 | P | 82.9 | Confident | 78.7 | Confident | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 142.9 | 173.8 | 24 | -32.6 | 0 | 0 | 0 | 108.9 | A93 | P91-A93 PolarHBondContact O-N 3.5Å; P91-A93 VanDerWaalsContact O-N 3.09Å |
| 92 | P | 78.7 | Confident | 78.5 | Confident | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 124.9 | 176 | 23.1 | -31.6 | 0 | 0 | 0 | 107.6 | Q94 | P92-Q94 PolarHBondContact O-N 3.47Š|
| 93 | A | 74.9 | Confident | 78.2 | Confident | 77 Ų | 77 | 133 Ų | 133 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | trans | -52.5 | 114.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | P91 H95 | P91-A93 PolarHBondContact O-N 3.5Å; P91-A93 VanDerWaalsContact O-N 3.09Å; A93-H95 PolarHBondContact O-N 3.48Å |
| 94 | Q | 71.6 | Confident | 77.8 | Confident | 169 Ų | 169 | 138.8 Ų | 138.8 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | | | trans | -57 | 110.7 | 173.9 | -71 | 179.8 | -35.6 | 0 | 0 | 104.9 | P92 I96 | P92-Q94 PolarHBondContact O-N 3.47Å; Q94-I96 HydrophobicContact CB-CG1 4.19Å; Q94-I96 PolarHBondContact O-N 3.27Å |
| 95 | H | 67.1 | Low | 77.1 | Confident | 169 Ų | 169 | 144.4 Ų | 144.4 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | | | trans | -68.5 | 70.1 | 169 | -30.5 | -86.1 | 0 | 0 | 0 | 105.7 | A93 N97 | A93-H95 PolarHBondContact O-N 3.48Å; H95-N97 VanDerWaalsContact C-N 3.34Å; H95-N97 PolarHBondContact O-N 3.27Å |
| 96 | I | 69.3 | Low | 76.7 | Confident | 107 Ų | 107 | 146 Ų | 146 | 55% | 0.549 | 76% | 0.761 | S | S | . | * | | | trans | -57.3 | 112.1 | 161.9 | -70.7 | 171.1 | 0 | 0 | 0 | 102 | Q94 Q98 | Q94-I96 HydrophobicContact CB-CG1 4.19Å; Q94-I96 PolarHBondContact O-N 3.27Å; I96-Q98 HydrophobicContact CG2-CG 4.24Å; I96-Q98 PolarHBondContact O-N 3.35Å |
| 97 | N | 66.5 | Low | 76.3 | Confident | 136 Ų | 136 | 149.4 Ų | 149.4 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -58.6 | 84.8 | 163.7 | -97.6 | -79.2 | 0 | 0 | 0 | 105.3 | H95 H99 | H95-N97 VanDerWaalsContact C-N 3.34Å; H95-N97 PolarHBondContact O-N 3.27Å; N97-H99 VanDerWaalsContact C-N 3.29Å; N97-H99 PolarHBondContact O-N 3.49Å; N97-H99 PolarHBondContact O-ND1 2.82Å; N97-H99 VanDerWaalsContact O-ND1 3.15Å |
| 98 | Q | 70 | Confident | 75.9 | Confident | 145 Ų | 145 | 151.4 Ų | 151.4 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | trans | -60.7 | 104 | 169.2 | -65.7 | -82.5 | 78.3 | 0 | 0 | 102.6 | I96 I100 | I96-Q98 HydrophobicContact CG2-CG 4.24Å; I96-Q98 PolarHBondContact O-N 3.35Å; Q98-I100 HydrophobicContact CB-CG1 4.22Å; Q98-I100 WeakPolarHBondContact O-CG1 3.36Å; Q98-I100 PolarHBondContact O-N 2.88Å |
| 99 | H | 72.4 | Confident | 75.5 | Confident | 155 Ų | 155 | 153.9 Ų | 153.9 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | | | trans | -66.8 | 88.7 | 171.3 | -74.7 | 80.8 | 0 | 0 | 0 | 105.1 | N97 H101 | N97-H99 VanDerWaalsContact C-N 3.29Å; N97-H99 PolarHBondContact O-N 3.49Å; N97-H99 PolarHBondContact O-ND1 2.82Å; N97-H99 VanDerWaalsContact O-ND1 3.15Å; H99-H101 PolarHBondContact O-CD2 2.91Å; H99-H101 PolarHBondContact O-N 3.23Å |
| 100 | I | 76.6 | Confident | 75.2 | Confident | 120 Ų | 120 | 150.6 Ų | 150.6 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | | | trans | -70.2 | 101.3 | 179.7 | -64.1 | 171.7 | 0 | 0 | 0 | 105.5 | Q98 Q102 | Q98-I100 HydrophobicContact CB-CG1 4.22Å; Q98-I100 WeakPolarHBondContact O-CG1 3.36Å; Q98-I100 PolarHBondContact O-N 2.88Å; I100-Q102 HydrophobicContact CG2-CB 3.87Å; I100-Q102 VanDerWaalsContact CG2-CD 3.45Å; I100-Q102 HydrophobicContact CG2-CG 3.39Å; I100-Q102 PolarHBondContact O-N 3.02Å |
| 101 | H | 79.1 | Confident | 74.8 | Confident | 180 Ų | 180 | 151.1 Ų | 151.1 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | | | trans | -74.8 | 50.2 | 172.9 | -68.2 | -92.6 | 0 | 0 | 0 | 110.8 | H99 | H99-H101 PolarHBondContact O-CD2 2.91Å; H99-H101 PolarHBondContact O-N 3.23Å |
| 102 | Q | 83.5 | Confident | 74.2 | Confident | 146 Ų | 146 | 154.1 Ų | 154.1 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 137.1 | 171.7 | -84.7 | 172.7 | 6.5 | 0 | 0 | 109.4 | I100 R104 | I100-Q102 HydrophobicContact CG2-CB 3.87Å; I100-Q102 VanDerWaalsContact CG2-CD 3.45Å; I100-Q102 HydrophobicContact CG2-CG 3.39Å; I100-Q102 PolarHBondContact O-N 3.02Å; Q102-R104 PolarHBondContact O-N 3.46Å; Q102-R104 VanDerWaalsContact O-N 3.13Å |
| 103 | P | 80.8 | Confident | 73.9 | Confident | 121 Ų | 121 | 157.5 Ų | 157.5 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 116.3 | 173.2 | 25.6 | -31.1 | 0 | 0 | 0 | 108.5 | K105 | P103-K105 PolarHBondContact O-N 3.5Š|
| 104 | R | 77.9 | Confident | 73.8 | Confident | 244 Ų | 244 | 164.2 Ų | 164.2 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 124.7 | 169.6 | -63.4 | -176.4 | -174.5 | 168.2 | 1.8 | 107.4 | Q102 | Q102-R104 PolarHBondContact O-N 3.46Å; Q102-R104 VanDerWaalsContact O-N 3.13Å |
| 105 | K | 71 | Confident | 74 | Confident | 278 Ų | 278 | 163.7 Ų | 163.7 | 100% | 1.209 | 77% | 0.773 | S | S | * | * | | | trans | -81.3 | 0 | 167.6 | -74.1 | -164 | 177.4 | -172.1 | 0 | 110.3 | P103 | P103-K105 PolarHBondContact O-N 3.5Š|