| 1 | M | 37.4 | Very low | 47.3 | Very low | 220 Ų | 220 | 138.6 Ų | 138.6 | 100% | 1.084 | 82% | 0.815 | S | S | * | * | | | | 0 | 93.1 | 0 | 35.3 | -85.6 | -87 | 0 | 0 | 108.8 | | |
| 2 | F | 46.8 | Very low | 47.9 | Very low | 213 Ų | 213 | 137.1 Ų | 137.1 | 93% | 0.934 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 119.3 | 171.9 | -77.3 | -90.1 | 0 | 0 | 0 | 107.9 | G4 | F2-G4 PolarHBondContact O-N 2.98Š|
| 3 | L | 49.2 | Very low | 48.6 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 122.8 | 172.1 | -97.2 | 56.9 | 0 | 0 | 0 | 108.1 | T5 | L3-T5 PolarHBondContact O-N 3.13Š|
| 4 | G | 45.2 | Very low | 49.3 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 121.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F2 G6 | F2-G4 PolarHBondContact O-N 2.98Å; G4-G6 PolarHBondContact O-N 3.03Å |
| 5 | T | 44.9 | Very low | 50.1 | Low | 140 Ų | 140 | 133 Ų | 133 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | | | trans | -86.1 | 91.5 | 164.2 | -48.2 | 0 | 0 | 0 | 0 | 106.4 | L3 E7 | L3-T5 PolarHBondContact O-N 3.13Å; T5-E7 PolarHBondContact O-N 2.98Å |
| 6 | G | 41.2 | Very low | 51.3 | Low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -83.3 | 93.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | G4 P8 | G4-G6 PolarHBondContact O-N 3.03Å; G6-P8 WeakPolarHBondContact O-CD 3.14Å |
| 7 | E | 50.2 | Low | 52.2 | Low | 156 Ų | 156 | 131.8 Ų | 131.8 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | | | trans | -90.5 | 119.1 | 160.6 | -109.9 | -75.1 | 132.8 | 0 | 0 | 107.6 | T5 A9 | T5-E7 PolarHBondContact O-N 2.98Å; E7-A9 PolarHBondContact OE2-N 2.86Å |
| 8 | P | 51.9 | Low | 52.8 | Low | 99 Ų | 99 | 130.9 Ų | 130.9 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | | | trans | -114.9 | 98.5 | 145.8 | 32.6 | -26.4 | 0 | 0 | 0 | 109.2 | G6 L10 | G6-P8 WeakPolarHBondContact O-CD 3.14Å; P8-L10 HydrophobicContact CB-CD1 4.48Å; P8-L10 PolarHBondContact O-N 2.92Å |
| 9 | A | 53.2 | Low | 53.5 | Low | 88 Ų | 88 | 128.9 Ų | 128.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -50.4 | 103.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | E7 | E7-A9 PolarHBondContact OE2-N 2.86Š|
| 10 | L | 50.3 | Low | 54.2 | Low | 154 Ų | 154 | 128.9 Ų | 128.9 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | -124.6 | 93.2 | 167.5 | -82.8 | 167.6 | 0 | 0 | 0 | 107.5 | P8 | P8-L10 HydrophobicContact CB-CD1 4.48Å; P8-L10 PolarHBondContact O-N 2.92Å |
| 11 | D | 50.4 | Low | 55 | Low | 143 Ų | 143 | 128.8 Ų | 128.8 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | | | trans | 14.6 | 118.8 | 138.8 | -165.1 | 43.4 | 0 | 0 | 0 | 118 | | |
| 12 | T | 54.4 | Low | 56 | Low | 120 Ų | 120 | 126.4 Ų | 126.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | 49.7 | 97.8 | 141 | -50.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 13 | G | 56.1 | Low | 56.8 | Low | 69 Ų | 69 | 123.5 Ų | 123.5 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | -167.9 | 47 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D15 | G13-D15 PolarHBondContact O-N 3.26Å; G13-D15 VanDerWaalsContact O-N 3.13Å |
| 14 | D | 58.4 | Low | 57.5 | Low | 147 Ų | 147 | 118.8 Ų | 118.8 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | | | trans | -80.2 | 38.9 | 170 | 66.2 | -67.6 | 0 | 0 | 0 | 112.4 | S16 | D14-S16 PolarHBondContact O-N 3.15Š|
| 15 | D | 61.4 | Low | 58.5 | Low | 134 Ų | 134 | 121.4 Ų | 121.4 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | | | trans | -81.9 | 49.7 | 160.8 | -168 | 37.2 | 0 | 0 | 0 | 110 | G13 L17 | G13-D15 PolarHBondContact O-N 3.26Å; G13-D15 VanDerWaalsContact O-N 3.13Å; D15-L17 VanDerWaalsContact C-N 3.31Å; D15-L17 PolarHBondContact O-N 2.83Å |
| 16 | S | 69.2 | Low | 59.2 | Low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | trans | -86.4 | 82.9 | 169.2 | -69.7 | 0 | 0 | 0 | 0 | 107.3 | D14 S18 | D14-S16 PolarHBondContact O-N 3.15Å; S16-S18 PolarHBondContact O-N 2.64Å |
| 17 | L | 66.8 | Low | 60 | Low | 142 Ų | 142 | 123.8 Ų | 123.8 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | | | trans | -45.7 | 115.8 | 170.2 | -63.4 | 176.5 | 0 | 0 | 0 | 108.5 | D15 A19 | D15-L17 VanDerWaalsContact C-N 3.31Å; D15-L17 PolarHBondContact O-N 2.83Å; L17-A19 PolarHBondContact O-N 2.57Å |
| 18 | S | 64.3 | Low | 60.5 | Low | 115 Ų | 115 | 122.6 Ų | 122.6 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | -53 | 112.7 | 176.2 | -69.3 | 0 | 0 | 0 | 0 | 108.6 | S16 V20 | S16-S18 PolarHBondContact O-N 2.64Å; S18-V20 PolarHBondContact O-N 3.16Å |
| 19 | A | 65.6 | Low | 60.8 | Low | 94 Ų | 94 | 126.5 Ų | 126.5 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | | | trans | -66.4 | 89.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | L17 T21 | L17-A19 PolarHBondContact O-N 2.57Å; A19-T21 VanDerWaalsContact C-N 3.34Å; A19-T21 PolarHBondContact O-N 2.85Å |
| 20 | V | 66.4 | Low | 61.3 | Low | 127 Ų | 127 | 126.4 Ų | 126.4 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | | | trans | -68.4 | 97.6 | 168.7 | 60.1 | 0 | 0 | 0 | 0 | 107.3 | S18 F22 | S18-V20 PolarHBondContact O-N 3.16Å; V20-F22 PolarHBondContact O-N 2.93Å |
| 21 | T | 72.6 | Confident | 61.7 | Low | 128 Ų | 128 | 128.5 Ų | 128.5 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | -71 | 87.5 | 165 | 56.2 | 0 | 0 | 0 | 0 | 107 | A19 D23 | A19-T21 VanDerWaalsContact C-N 3.34Å; A19-T21 PolarHBondContact O-N 2.85Å; T21-D23 PolarHBondContact O-N 3.18Å |
| 22 | F | 58 | Low | 62.6 | Low | 170 Ų | 170 | 132.5 Ų | 132.5 | 75% | 0.746 | 75% | 0.745 | S | S | * | * | | | trans | -75.4 | 79.7 | 167.5 | -172.7 | -110.6 | 0 | 0 | 0 | 108 | V20 S24 | V20-F22 PolarHBondContact O-N 2.93Å; F22-S24 PolarHBondContact O-N 2.8Å |
| 23 | D | 63 | Low | 62.9 | Low | 151 Ų | 151 | 133.8 Ų | 133.8 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | | | trans | -74.9 | 85.5 | 165.6 | -165.9 | 61.4 | 0 | 0 | 0 | 107.3 | T21 D25 | T21-D23 PolarHBondContact O-N 3.18Å; D23-D25 PolarHBondContact O-N 2.69Å; D23-D25 VanDerWaalsContact O-N 3.12Å |
| 24 | S | 64.9 | Low | 63.2 | Low | 59 Ų | 59 | 133.1 Ų | 133.1 | 41% | 0.413 | 73% | 0.728 | S | S | . | * | | | trans | -76.6 | 94.7 | 172.9 | -166.7 | 0 | 0 | 0 | 0 | 108.1 | F22 V26 | F22-S24 PolarHBondContact O-N 2.8Å; S24-V26 PolarHBondContact O-N 2.76Å; S24-V26 WeakPolarHBondContact OG-CG1 3.43Å |
| 25 | D | 64.6 | Low | 63.4 | Low | 136 Ų | 136 | 132.9 Ų | 132.9 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | | | trans | -63.7 | 88 | 160.9 | -177.3 | 36.3 | 0 | 0 | 0 | 108.5 | D23 E27 | D23-D25 PolarHBondContact O-N 2.69Å; D23-D25 VanDerWaalsContact O-N 3.12Å; D25-E27 PolarHBondContact O-N 2.92Å |
| 26 | V | 59.6 | Low | 63.3 | Low | 107 Ų | 107 | 135.3 Ų | 135.3 | 65% | 0.648 | 73% | 0.727 | S | S | * | * | | | trans | -77.9 | 80.6 | 169.5 | -65.8 | 0 | 0 | 0 | 0 | 107.8 | S24 T28 | S24-V26 PolarHBondContact O-N 2.76Å; S24-V26 WeakPolarHBondContact OG-CG1 3.43Å; V26-T28 PolarHBondContact O-N 3.4Å |
| 27 | E | 57.8 | Low | 62.9 | Low | 157 Ų | 157 | 138.1 Ų | 138.1 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | | | trans | -48 | 112.4 | 163.9 | -173.9 | -170.1 | 91.3 | 0 | 0 | 107.9 | D25 K29 | D25-E27 PolarHBondContact O-N 2.92Å; E27-K29 PolarHBondContact O-N 3.1Å |
| 28 | T | 61.3 | Low | 62.9 | Low | 130 Ų | 130 | 136.7 Ų | 136.7 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | | | trans | -75.1 | 78.1 | -178.8 | 48.5 | 0 | 0 | 0 | 0 | 109.1 | V26 A30 | V26-T28 PolarHBondContact O-N 3.4Å; T28-A30 PolarHBondContact O-N 2.95Å |
| 29 | K | 59.3 | Low | 63.1 | Low | 182 Ų | 182 | 136.4 Ų | 136.4 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | | | trans | -55.6 | 117.3 | 171.6 | 62 | -160.8 | 174.9 | -166.9 | 0 | 109.6 | E27 K31 | E27-K29 PolarHBondContact O-N 3.1Å; K29-K31 PolarHBondContact O-N 3.47Å |
| 30 | A | 62.7 | Low | 63 | Low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | | | trans | -40.9 | 126.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T28 R32 | T28-A30 PolarHBondContact O-N 2.95Å; A30-R32 VanDerWaalsContact C-N 3.27Å; A30-R32 PolarHBondContact O-N 2.88Å |
| 31 | K | 60 | Low | 62.9 | Low | 199 Ų | 199 | 137.1 Ų | 137.1 | 87% | 0.865 | 72% | 0.718 | S | S | * | * | | | trans | -66.5 | 83.3 | 172.1 | -175.6 | 166.4 | -179.3 | 173 | 0 | 109.7 | K29 K33 | K29-K31 PolarHBondContact O-N 3.47Å; K31-K33 PolarHBondContact O-N 3.22Å |
| 32 | R | 68.3 | Low | 62.7 | Low | 227 Ų | 227 | 134.4 Ų | 134.4 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | | | trans | -70.8 | 118.8 | 161.4 | -71.1 | -168.9 | -179.7 | 116.5 | -1.3 | 107.5 | A30 A34 | A30-R32 VanDerWaalsContact C-N 3.27Å; A30-R32 PolarHBondContact O-N 2.88Å; R32-A34 VanDerWaalsContact C-N 3.34Å; R32-A34 PolarHBondContact O-N 2.94Å |
| 33 | K | 61.4 | Low | 63.2 | Low | 146 Ų | 146 | 131.3 Ų | 131.3 | 64% | 0.635 | 70% | 0.702 | S | S | * | * | | | trans | -54.6 | 95.4 | 171.9 | -86.4 | -119.5 | 174 | -155.2 | 0 | 110 | K31 F35 | K31-K33 PolarHBondContact O-N 3.22Å; K33-F35 VanDerWaalsContact C-N 3.3Å; K33-F35 HydrophobicContact CB-CD2 4.02Å; K33-F35 HydrophobicContact CB-CE2 4.35Å; K33-F35 HydrophobicContact CD-CD1 4.37Å; K33-F35 HydrophobicContact CD-CD2 3.45Å; K33-F35 VanDerWaalsContact CD-CD2 3.45Å; K33-F35 HydrophobicContact CD-CE1 3.94Å; K33-F35 HydrophobicContact CD-CE2 2.98Å; K33-F35 HydrophobicContact CD-CG 4.19Å; K33-F35 HydrophobicContact CD-CZ 3.31Å; K33-F35 HydrophobicContact CG-CD2 4.39Å; K33-F35 HydrophobicContact CG-CE2 4.24Å; K33-F35 VanDerWaalsContact NZ-CE1 3.27Å; K33-F35 PolarHBondContact O-N 3.04Å |
| 34 | A | 62.4 | Low | 63 | Low | 55 Ų | 55 | 133.3 Ų | 133.3 | 46% | 0.455 | 70% | 0.703 | S | S | . | * | | | trans | -90.6 | 72.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | R32 H36 K37 | R32-A34 VanDerWaalsContact C-N 3.34Å; R32-A34 PolarHBondContact O-N 2.94Å; A34-H36 PolarHBondContact O-N 3.49Å; A34-H36 VanDerWaalsContact O-N 3.11Å; A34-K37 HydrophobicContact CB-CB 3.95Å; A34-K37 HydrophobicContact CB-CD 3.96Å; A34-K37 HydrophobicContact CB-CG 3.96Å |
| 35 | F | 60.9 | Low | 63.2 | Low | 143 Ų | 143 | 132.4 Ų | 132.4 | 63% | 0.627 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -2.8 | -178 | -84.8 | -58.9 | 0 | 0 | 0 | 115.2 | K33 | K33-F35 VanDerWaalsContact C-N 3.3Å; K33-F35 HydrophobicContact CB-CD2 4.02Å; K33-F35 HydrophobicContact CB-CE2 4.35Å; K33-F35 HydrophobicContact CD-CD1 4.37Å; K33-F35 HydrophobicContact CD-CD2 3.45Å; K33-F35 VanDerWaalsContact CD-CD2 3.45Å; K33-F35 HydrophobicContact CD-CE1 3.94Å; K33-F35 HydrophobicContact CD-CE2 2.98Å; K33-F35 HydrophobicContact CD-CG 4.19Å; K33-F35 HydrophobicContact CD-CZ 3.31Å; K33-F35 HydrophobicContact CG-CD2 4.39Å; K33-F35 HydrophobicContact CG-CE2 4.24Å; K33-F35 VanDerWaalsContact NZ-CE1 3.27Å; K33-F35 PolarHBondContact O-N 3.04Å |
| 36 | H | 59.5 | Low | 63.4 | Low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.9 | 22.5 | 176 | -60.2 | -68.5 | 0 | 0 | 0 | 113.4 | A34 | A34-H36 PolarHBondContact O-N 3.49Å; A34-H36 VanDerWaalsContact O-N 3.11Å |
| 37 | K | 61.5 | Low | 63.2 | Low | 162 Ų | 162 | 136.6 Ų | 136.6 | 70% | 0.704 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 135.1 | 176.7 | -53.8 | -177.6 | -179.4 | -178.7 | 0 | 108.8 | A34 | A34-K37 HydrophobicContact CB-CB 3.95Å; A34-K37 HydrophobicContact CB-CD 3.96Å; A34-K37 HydrophobicContact CB-CG 3.96Å |
| 38 | P | 67.3 | Low | 63.5 | Low | 112 Ų | 112 | 133.3 Ų | 133.3 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 151.2 | 174.5 | 26.1 | -33.8 | 0 | 0 | 0 | 109.5 | | |
| 39 | P | 67.1 | Low | 63.7 | Low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 144 | 175 | 21.5 | -31.4 | 0 | 0 | 0 | 109.9 | T41 | P39-T41 PolarHBondContact O-N 2.75Š|
| 40 | P | 65.4 | Low | 64.1 | Low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -54 | 131.5 | 179.3 | 23.2 | -32.7 | 0 | 0 | 0 | 109.4 | S42 | P40-S42 PolarHBondContact O-N 2.91Š|
| 41 | T | 62.6 | Low | 64.2 | Low | 109 Ų | 109 | 134 Ų | 134 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 134 | -179.4 | 51 | 0 | 0 | 0 | 0 | 109.5 | P39 | P39-T41 PolarHBondContact O-N 2.75Š|
| 42 | S | 69 | Low | 64.7 | Low | 72 Ų | 72 | 135.1 Ų | 135.1 | 50% | 0.503 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 133.1 | -179.3 | 175.2 | 0 | 0 | 0 | 0 | 111 | P40 K44 S45 | P40-S42 PolarHBondContact O-N 2.91Å; S42-K44 PolarHBondContact O-N 3.39Å; S42-S45 PolarHBondContact O-N 3Å |
| 43 | P | 67.8 | Low | 64.7 | Low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -5.2 | -173.5 | 24.9 | -33.4 | 0 | 0 | 0 | 114.9 | L48 | P43-L48 VanDerWaalsContact O-CD2 3.25Å; P43-L48 WeakPolarHBondContact O-CD2 3.47Å |
| 44 | K | 59.5 | Low | 64.8 | Low | 192 Ų | 192 | 131.4 Ų | 131.4 | 84% | 0.835 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 12.8 | -177.4 | -71.1 | 172.6 | 177.3 | 164.6 | 0 | 113.7 | S42 | S42-K44 PolarHBondContact O-N 3.39Š|
| 45 | S | 68.2 | Low | 65.4 | Low | 41 Ų | 41 | 131.3 Ų | 131.3 | 29% | 0.287 | 69% | 0.692 | S | S | . | * | | | trans | -69.2 | 139.8 | 173.9 | 71 | 0 | 0 | 0 | 0 | 109.4 | S42 Y47 L48 | S42-S45 PolarHBondContact O-N 3Å; S45-Y47 PolarHBondContact O-N 3.4Å; S45-L48 WeakPolarHBondContact O-CB 3.43Å; S45-L48 PolarHBondContact O-N 3.08Å; S45-L48 PolarHBondContact OG-N 3.35Å |
| 46 | P | 69.1 | Low | 65.9 | Low | 129 Ų | 129 | 128.9 Ų | 128.9 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -13.7 | 173 | -26.3 | 34.8 | 0 | 0 | 0 | 113.8 | | |
| 47 | Y | 56.7 | Low | 66 | Low | 201 Ų | 201 | 131 Ų | 131 | 79% | 0.788 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 11.1 | 178.3 | -59.4 | -78.1 | 0 | 0 | 0 | 113.8 | S45 S49 | S45-Y47 PolarHBondContact O-N 3.4Å; Y47-S49 PolarHBondContact O-N 2.78Å |
| 48 | L | 63.6 | Low | 66.6 | Low | 88 Ų | 88 | 131.6 Ų | 131.6 | 46% | 0.461 | 69% | 0.692 | S | S | . | * | | | trans | -72.1 | 56.8 | 170.8 | -167.5 | 72.3 | 0 | 0 | 0 | 110.8 | P43 S45 | P43-L48 VanDerWaalsContact O-CD2 3.25Å; P43-L48 WeakPolarHBondContact O-CD2 3.47Å; S45-L48 WeakPolarHBondContact O-CB 3.43Å; S45-L48 PolarHBondContact O-N 3.08Å; S45-L48 PolarHBondContact OG-N 3.35Å |
| 49 | S | 65.2 | Low | 66.5 | Low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | | | trans | -88.2 | 133.3 | 161.9 | 67.9 | 0 | 0 | 0 | 0 | 107.2 | Y47 | Y47-S49 PolarHBondContact O-N 2.78Š|
| 50 | K | 68.8 | Low | 66.5 | Low | 191 Ų | 191 | 132.5 Ų | 132.5 | 83% | 0.83 | 69% | 0.69 | S | S | * | * | | | trans | -52.3 | 134.6 | 165.1 | -63.5 | 157.9 | -175.2 | 173.2 | 0 | 106 | R52 | K50-R52 PolarHBondContact O-N 2.98Š|
| 51 | P | 64.9 | Low | 66.5 | Low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | | | trans | -55.2 | 107.5 | 174.7 | 22.6 | -31.6 | 0 | 0 | 0 | 107.1 | K53 | P51-K53 PolarHBondContact O-N 2.86Š|
| 52 | R | 69.2 | Low | 66.2 | Low | 223 Ų | 223 | 137.3 Ų | 137.3 | 84% | 0.842 | 69% | 0.693 | S | S | * | * | | | trans | -61.9 | 126 | 173.1 | 177.2 | 178.5 | -83.9 | -154.4 | -2.8 | 104.2 | K50 V54 | K50-R52 PolarHBondContact O-N 2.98Å; R52-V54 PolarHBondContact O-N 3.11Å |
| 53 | K | 69.2 | Low | 65.6 | Low | 203 Ų | 203 | 139 Ų | 139 | 88% | 0.883 | 71% | 0.711 | S | S | * | * | | | trans | -68.3 | 74.1 | 176 | -163.4 | -171.5 | 170.1 | -157.5 | 0 | 108.2 | P51 A55 | P51-K53 PolarHBondContact O-N 2.86Å; K53-A55 PolarHBondContact O-N 2.98Å |
| 54 | V | 63.4 | Low | 65.4 | Low | 92 Ų | 92 | 137.7 Ų | 137.7 | 56% | 0.558 | 72% | 0.717 | S | S | * | * | | | trans | -63.4 | 121.8 | 164.9 | 173.3 | 0 | 0 | 0 | 0 | 104.2 | R52 S56 | R52-V54 PolarHBondContact O-N 3.11Å; V54-S56 PolarHBondContact O-N 3.27Å |
| 55 | A | 73.6 | Confident | 65.4 | Low | 53 Ų | 53 | 133.5 Ų | 133.5 | 44% | 0.438 | 71% | 0.712 | S | S | . | * | | | trans | -53.4 | 112.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | K53 W57 R58 | K53-A55 PolarHBondContact O-N 2.98Å; A55-W57 PolarHBondContact O-N 3.02Å; A55-W57 VanDerWaalsContact O-N 3.16Å; A55-R58 PolarHBondContact O-NH1 3.07Å |
| 56 | S | 73.1 | Confident | 65.2 | Low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | | | trans | -39.6 | 123.3 | -179 | 163.7 | 0 | 0 | 0 | 0 | 107.7 | V54 R58 | V54-S56 PolarHBondContact O-N 3.27Å; S56-R58 WeakPolarHBondContact O-CD 3.25Å; S56-R58 PolarHBondContact O-N 3.32Å; S56-R58 PolarHBondContact O-NH1 3.38Å |
| 57 | W | 60.6 | Low | 64.7 | Low | 230 Ų | 230 | 139.3 Ų | 139.3 | 87% | 0.871 | 74% | 0.735 | S | S | * | * | | | trans | -62.7 | 77.9 | -179 | -65.1 | 68.9 | 0 | 0 | 0 | 108.5 | A55 S59 | A55-W57 PolarHBondContact O-N 3.02Å; A55-W57 VanDerWaalsContact O-N 3.16Å; W57-S59 VanDerWaalsContact C-N 3.33Å; W57-S59 PolarHBondContact O-N 3.19Å |
| 58 | R | 73.7 | Confident | 65.1 | Low | 173 Ų | 173 | 138.3 Ų | 138.3 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | | | trans | -62.8 | 103.8 | 171.7 | 43.2 | -114.7 | 171.7 | -89.1 | -1.4 | 103.2 | A55 S56 L60 | A55-R58 PolarHBondContact O-NH1 3.07Å; S56-R58 WeakPolarHBondContact O-CD 3.25Å; S56-R58 PolarHBondContact O-N 3.32Å; S56-R58 PolarHBondContact O-NH1 3.38Å; R58-L60 PolarHBondContact O-N 2.9Å |
| 59 | S | 65.6 | Low | 64.7 | Low | 82 Ų | 82 | 137.3 Ų | 137.3 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | | | trans | -42.3 | 117.2 | 171.9 | 170.5 | 0 | 0 | 0 | 0 | 107.5 | W57 R61 | W57-S59 VanDerWaalsContact C-N 3.33Å; W57-S59 PolarHBondContact O-N 3.19Å; S59-R61 VanDerWaalsContact C-N 3.29Å; S59-R61 PolarHBondContact O-N 3.01Å |
| 60 | L | 66.4 | Low | 64.4 | Low | 160 Ų | 160 | 136.2 Ų | 136.2 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | trans | -55.5 | 102 | 167.9 | -97.2 | 149.4 | 0 | 0 | 0 | 105.6 | R58 T62 | R58-L60 PolarHBondContact O-N 2.9Å; L60-T62 PolarHBondContact O-N 3.35Å |
| 61 | R | 66.3 | Low | 64.2 | Low | 219 Ų | 219 | 139.2 Ų | 139.2 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | trans | -68.6 | 94.7 | 169 | -39.2 | -76.5 | -172.6 | -172 | -1.6 | 104 | S59 A63 | S59-R61 VanDerWaalsContact C-N 3.29Å; S59-R61 PolarHBondContact O-N 3.01Å; R61-A63 PolarHBondContact O-N 3.47Å; R61-A63 VanDerWaalsContact O-N 3.13Å |
| 62 | T | 55.8 | Low | 64.1 | Low | 117 Ų | 117 | 136.7 Ų | 136.7 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | | | trans | -56.3 | 119.3 | 171.2 | -51 | 0 | 0 | 0 | 0 | 107.2 | L60 G64 | L60-T62 PolarHBondContact O-N 3.35Å; T62-G64 PolarHBondContact O-N 3.27Å |
| 63 | A | 56.4 | Low | 63.9 | Low | 107 Ų | 107 | 131 Ų | 131 | 88% | 0.884 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 106.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | R61 | R61-A63 PolarHBondContact O-N 3.47Å; R61-A63 VanDerWaalsContact O-N 3.13Å |
| 64 | G | 63.7 | Low | 63.9 | Low | 78 Ų | 78 | 126.1 Ų | 126.1 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 145.8 | 14.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | T62 | T62-G64 PolarHBondContact O-N 3.27Š|
| 65 | S | 60.5 | Low | 64.4 | Low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | | | trans | -120.2 | 93.8 | 171.3 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 66 | M | 62.9 | Low | 64.3 | Low | 174 Ų | 174 | 126.2 Ų | 126.2 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | | | trans | -82.1 | 121.9 | 159.3 | -68.4 | -109.2 | 95 | 0 | 0 | 107.1 | L68 | M66-L68 VanDerWaalsContact C-N 3.34Å; M66-L68 PolarHBondContact O-N 3.05Å |
| 67 | P | 59.6 | Low | 64.4 | Low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | | | trans | -74.1 | 93.5 | 168.9 | 29.2 | -30.2 | 0 | 0 | 0 | 108.1 | G69 | P67-G69 PolarHBondContact O-N 3.33Å; P67-G69 VanDerWaalsContact O-N 3.15Å |
| 68 | L | 64.8 | Low | 64.9 | Low | 180 Ų | 180 | 124.3 Ų | 124.3 | 94% | 0.942 | 72% | 0.716 | S | S | * | * | | | trans | -76 | 95.8 | 166.7 | -171.6 | 67.9 | 0 | 0 | 0 | 107.9 | M66 | M66-L68 VanDerWaalsContact C-N 3.34Å; M66-L68 PolarHBondContact O-N 3.05Å |
| 69 | G | 54.8 | Low | 64.7 | Low | 66 Ų | 66 | 121.3 Ų | 121.3 | 68% | 0.68 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 137.4 | 109.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P67 | P67-G69 PolarHBondContact O-N 3.33Å; P67-G69 VanDerWaalsContact O-N 3.15Å |
| 70 | G | 59.3 | Low | 64.9 | Low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | | | trans | 56.4 | 88.1 | 141.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | A72 | G70-A72 PolarHBondContact O-N 2.82Š|
| 71 | R | 65.2 | Low | 65.2 | Low | 253 Ų | 253 | 126.7 Ų | 126.7 | 96% | 0.955 | 72% | 0.719 | S | S | * | * | | | trans | 2.3 | 73.5 | 150.8 | -151.7 | -177.7 | 97.6 | -147.4 | 6.4 | 116.6 | | |
| 72 | A | 62.5 | Low | 65.1 | Low | 74 Ų | 74 | 119.1 Ų | 119.1 | 61% | 0.612 | 71% | 0.709 | S | S | * | * | | | trans | -112.5 | 84.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | G70 L74 | G70-A72 PolarHBondContact O-N 2.82Å; A72-L74 VanDerWaalsContact C-N 3.26Å; A72-L74 HydrophobicContact CB-CD2 4.38Å; A72-L74 PolarHBondContact O-N 3.33Å |
| 73 | S | 64.3 | Low | 65.5 | Low | 104 Ų | 104 | 119.9 Ų | 119.9 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | | | trans | -64.6 | 98 | 162.1 | -177.4 | 0 | 0 | 0 | 0 | 106.2 | T75 | S73-T75 VanDerWaalsContact C-N 3.28Å; S73-T75 PolarHBondContact O-N 2.81Å |
| 74 | L | 68.8 | Low | 65.9 | Low | 99 Ų | 99 | 119.3 Ų | 119.3 | 52% | 0.518 | 71% | 0.709 | S | S | . | * | | | trans | -70.8 | 94.9 | 174.4 | -61.8 | 177 | 0 | 0 | 0 | 106.2 | A72 L79 | A72-L74 VanDerWaalsContact C-N 3.26Å; A72-L74 HydrophobicContact CB-CD2 4.38Å; A72-L74 PolarHBondContact O-N 3.33Å; L74-L79 HydrophobicContact CB-CD1 4.4Å; L74-L79 HydrophobicContact CB-CD2 4.07Å; L74-L79 HydrophobicContact CB-CG 4.1Å; L74-L79 HydrophobicContact CD1-CD2 3.86Å; L74-L79 HydrophobicContact CG-CD2 4.5Å |
| 75 | T | 74.8 | Confident | 66.2 | Low | 58 Ų | 58 | 124.9 Ų | 124.9 | 36% | 0.356 | 71% | 0.711 | S | S | . | * | | | trans | -58.2 | 145.4 | 169.1 | 63.9 | 0 | 0 | 0 | 0 | 107.5 | S73 Q77 K78 L79 | S73-T75 VanDerWaalsContact C-N 3.28Å; S73-T75 PolarHBondContact O-N 2.81Å; T75-Q77 PolarHBondContact O-N 3.3Å; T75-K78 PolarHBondContact O-N 3.04Å; T75-L79 PolarHBondContact O-N 3.02Å |
| 76 | P | 70.9 | Confident | 65.7 | Low | 90 Ų | 90 | 125.9 Ų | 125.9 | 58% | 0.584 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -49.8 | -38.7 | 178.3 | -27.5 | 33.8 | 0 | 0 | 0 | 111.4 | K78 L79 W80 | P76-K78 VanDerWaalsContact C-N 3.31Å; P76-K78 PolarHBondContact O-N 2.93Å; P76-L79 WeakPolarHBondContact O-CB 3.39Å; P76-L79 PolarHBondContact O-N 2.91Å; P76-W80 PolarHBondContact O-N 2.83Å; P76-W80 VanDerWaalsContact O-N 3.08Å |
| 77 | Q | 75.7 | Confident | 65 | Low | 149 Ų | 149 | 120.9 Ų | 120.9 | 70% | 0.696 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -54.2 | -40.9 | 176.1 | -64.6 | 167.4 | -11.5 | 0 | 0 | 113.8 | T75 L79 W80 L81 | T75-Q77 PolarHBondContact O-N 3.3Å; Q77-L79 VanDerWaalsContact C-N 3.32Å; Q77-L79 PolarHBondContact O-N 2.81Å; Q77-W80 PolarHBondContact O-N 2.93Å; Q77-L81 WeakPolarHBondContact O-CD1 3.46Å; Q77-L81 PolarHBondContact O-N 3.12Å |
| 78 | K | 70.8 | Confident | 64.8 | Low | 134 Ų | 134 | 120.4 Ų | 120.4 | 58% | 0.583 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -74.6 | -18.6 | 176.9 | -82.9 | -160 | 67.8 | 161.1 | 0 | 114.4 | T75 P76 | T75-K78 PolarHBondContact O-N 3.04Å; P76-K78 VanDerWaalsContact C-N 3.31Å; P76-K78 PolarHBondContact O-N 2.93Å |
| 79 | L | 70.4 | Confident | 64 | Low | 109 Ų | 109 | 119.4 Ų | 119.4 | 57% | 0.571 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -81.7 | -31.2 | 173.4 | -67.2 | 171.9 | 0 | 0 | 0 | 111.3 | L74 T75 P76 Q77 | L74-L79 HydrophobicContact CB-CD1 4.4Å; L74-L79 HydrophobicContact CB-CD2 4.07Å; L74-L79 HydrophobicContact CB-CG 4.1Å; L74-L79 HydrophobicContact CD1-CD2 3.86Å; L74-L79 HydrophobicContact CG-CD2 4.5Å; T75-L79 PolarHBondContact O-N 3.02Å; P76-L79 WeakPolarHBondContact O-CB 3.39Å; P76-L79 PolarHBondContact O-N 2.91Å; Q77-L79 VanDerWaalsContact C-N 3.32Å; Q77-L79 PolarHBondContact O-N 2.81Å |
| 80 | W | 69.9 | Low | 63.8 | Low | 222 Ų | 222 | 121.2 Ų | 121.2 | 84% | 0.841 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -87.5 | -32 | -176.1 | -67.3 | 47.6 | 0 | 0 | 0 | 111.9 | P76 Q77 G82 | P76-W80 PolarHBondContact O-N 2.83Å; P76-W80 VanDerWaalsContact O-N 3.08Å; Q77-W80 PolarHBondContact O-N 2.93Å; W80-G82 VanDerWaalsContact C-N 3.25Å; W80-G82 PolarHBondContact O-N 3Å |
| 81 | L | 71.3 | Confident | 63.1 | Low | 134 Ų | 134 | 126 Ų | 126 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -75.5 | 86.1 | 163 | -85.9 | 64.2 | 0 | 0 | 0 | 107 | Q77 T83 | Q77-L81 WeakPolarHBondContact O-CD1 3.46Å; Q77-L81 PolarHBondContact O-N 3.12Å; L81-T83 PolarHBondContact O-N 3.2Å |
| 82 | G | 64.9 | Low | 62 | Low | 60 Ų | 60 | 118.4 Ų | 118.4 | 62% | 0.619 | 69% | 0.694 | S | S | * | * | | | trans | -43.4 | 133 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | W80 A84 | W80-G82 VanDerWaalsContact C-N 3.25Å; W80-G82 PolarHBondContact O-N 3Å; G82-A84 VanDerWaalsContact C-N 3.3Å; G82-A84 PolarHBondContact O-N 2.81Å |
| 83 | T | 65.3 | Low | 61.2 | Low | 133 Ų | 133 | 122.1 Ų | 122.1 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | | | trans | -66.2 | 91.4 | -179 | 56.7 | 0 | 0 | 0 | 0 | 109.2 | L81 K85 | L81-T83 PolarHBondContact O-N 3.2Å; T83-K85 PolarHBondContact O-N 3.19Å |
| 84 | A | 63.7 | Low | 60.1 | Low | 95 Ų | 95 | 123.9 Ų | 123.9 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | | | trans | -67.2 | 99.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | G82 P86 | G82-A84 VanDerWaalsContact C-N 3.3Å; G82-A84 PolarHBondContact O-N 2.81Å; A84-P86 WeakPolarHBondContact O-CD 3.46Å |
| 85 | K | 69.1 | Low | 58.7 | Low | 194 Ų | 194 | 124.2 Ų | 124.2 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | | | trans | -63.4 | 122.5 | 169.6 | -160.2 | 169 | -179.8 | 179 | 0 | 106.3 | T83 G87 | T83-K85 PolarHBondContact O-N 3.19Å; K85-G87 VanDerWaalsContact C-N 3.34Å; K85-G87 PolarHBondContact O-N 2.83Å |
| 86 | P | 51.4 | Low | 57.7 | Low | 125 Ų | 125 | 127.2 Ų | 127.2 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | | | trans | -66 | 101 | 171.7 | 24.4 | -29.5 | 0 | 0 | 0 | 107.5 | A84 S88 | A84-P86 WeakPolarHBondContact O-CD 3.46Å; P86-S88 PolarHBondContact O-N 2.88Å; P86-S88 VanDerWaalsContact O-N 3.1Å |
| 87 | G | 48.7 | Very low | 56.3 | Low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | trans | -62.2 | 108.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | K85 L89 | K85-G87 VanDerWaalsContact C-N 3.34Å; K85-G87 PolarHBondContact O-N 2.83Å; G87-L89 VanDerWaalsContact C-N 3.29Å; G87-L89 PolarHBondContact O-N 2.7Å |
| 88 | S | 55.2 | Low | 55.3 | Low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | | | trans | -63.9 | 96.6 | 162.1 | -177.4 | 0 | 0 | 0 | 0 | 106.7 | P86 | P86-S88 PolarHBondContact O-N 2.88Å; P86-S88 VanDerWaalsContact O-N 3.1Å |
| 89 | L | 47.9 | Very low | 54.1 | Low | 158 Ų | 158 | 125.5 Ų | 125.5 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | | | trans | -110 | 84 | 170.7 | -146.5 | 156.5 | 0 | 0 | 0 | 106.6 | G87 | G87-L89 VanDerWaalsContact C-N 3.29Å; G87-L89 PolarHBondContact O-N 2.7Å |
| 90 | T | 50.8 | Low | 53.3 | Low | 104 Ų | 104 | 127.6 Ų | 127.6 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | | | trans | -75.4 | 125.1 | 167.7 | 43.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 91 | Q | 44 | Very low | 52.7 | Low | 173 Ų | 173 | 124.3 Ų | 124.3 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | 75.9 | 144.9 | 151.9 | -59.3 | 173.8 | -24 | 0 | 0 | 117.1 | | |
| 92 | A | 41 | Very low | 52.2 | Low | 93 Ų | 93 | 123.5 Ų | 123.5 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | cis | -171.3 | 148.4 | -15.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 93 | L | 45.8 | Very low | 52.1 | Low | 153 Ų | 153 | 127.1 Ų | 127.1 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | | | trans | 29.6 | 142.5 | 153.6 | -111.6 | 177.8 | 0 | 0 | 0 | 123.3 | | |
| 94 | N | 41.2 | Very low | 52 | Low | 141 Ų | 141 | 125 Ų | 125 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | 104.6 | 122.2 | 159.1 | -52.2 | -26.5 | 0 | 0 | 0 | 112.6 | | |
| 95 | S | 39.4 | Very low | 52.3 | Low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | cis | -161.8 | 165 | 26 | 49.4 | 0 | 0 | 0 | 0 | 111 | | |
| 96 | P | 55.1 | Low | 52.3 | Low | 121 Ų | 121 | 123.7 Ų | 123.7 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | trans | -92.9 | 131.7 | 178.7 | 34.5 | -27.4 | 0 | 0 | 0 | 112 | | |
| 97 | L | 41.2 | Very low | 53.3 | Low | 159 Ų | 159 | 122.6 Ų | 122.6 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | | | trans | -139.1 | 128.1 | 160.5 | -73.5 | 175.6 | 0 | 0 | 0 | 109.3 | G99 | L97-G99 PolarHBondContact O-N 2.74Š|
| 98 | P | 53.6 | Low | 54.6 | Low | 127 Ų | 127 | 125.5 Ų | 125.5 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | trans | -85.2 | 100.3 | 173.5 | 33.3 | -25.4 | 0 | 0 | 0 | 107.3 | | |
| 99 | G | 46.3 | Very low | 55.5 | Low | 50 Ų | 50 | 127.6 Ų | 127.6 | 52% | 0.515 | 74% | 0.744 | S | S | . | * | | | trans | -115.9 | 125 | 163.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | L97 D101 | L97-G99 PolarHBondContact O-N 2.74Å; G99-D101 PolarHBondContact O-N 2.84Å |
| 100 | D | 53.2 | Low | 56.7 | Low | 153 Ų | 153 | 126.9 Ų | 126.9 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | -68.4 | 80.9 | 176.7 | -38 | -73.5 | 0 | 0 | 0 | 107.6 | V102 | D100-V102 PolarHBondContact O-N 2.78Š|
| 101 | D | 57 | Low | 58 | Low | 154 Ų | 154 | 128.3 Ų | 128.3 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | -70.7 | 89.6 | 167.9 | -76.3 | -61.9 | 0 | 0 | 0 | 105.9 | G99 N103 | G99-D101 PolarHBondContact O-N 2.84Å; D101-N103 PolarHBondContact O-N 3.35Å |
| 102 | V | 61.3 | Low | 59.5 | Low | 117 Ų | 117 | 126.8 Ų | 126.8 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | | | trans | -47.5 | 93.5 | 161.8 | -178.2 | 0 | 0 | 0 | 0 | 106 | D100 S104 | D100-V102 PolarHBondContact O-N 2.78Å; V102-S104 PolarHBondContact O-N 2.97Å; V102-S104 PolarHBondContact O-OG 3.02Å |
| 103 | N | 62.3 | Low | 61.4 | Low | 135 Ų | 135 | 126 Ų | 126 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | trans | -60.8 | 87 | 167.1 | 175.1 | 44.7 | 0 | 0 | 0 | 105.8 | D101 D105 | D101-N103 PolarHBondContact O-N 3.35Å; N103-D105 PolarHBondContact O-N 2.93Å |
| 104 | S | 64.2 | Low | 62.9 | Low | 89 Ų | 89 | 124.2 Ų | 124.2 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | | | trans | -73.6 | 77.7 | 172.8 | -54.6 | 0 | 0 | 0 | 0 | 105.1 | V102 D106 | V102-S104 PolarHBondContact O-N 2.97Å; V102-S104 PolarHBondContact O-OG 3.02Å; S104-D106 PolarHBondContact O-N 2.97Å |
| 105 | D | 69.7 | Low | 64.7 | Low | 134 Ų | 134 | 123.4 Ų | 123.4 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | | | trans | -70.2 | 48.2 | 164.8 | -166.2 | 48.7 | 0 | 0 | 0 | 109 | N103 S107 | N103-D105 PolarHBondContact O-N 2.93Å; D105-S107 VanDerWaalsContact C-N 3.28Å |
| 106 | D | 69.6 | Low | 66.4 | Low | 128 Ų | 128 | 125.6 Ų | 125.6 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | | | trans | -102.9 | 53.2 | 172.6 | -165.3 | 38.4 | 0 | 0 | 0 | 107.1 | S104 D108 | S104-D106 PolarHBondContact O-N 2.97Å; D106-D108 PolarHBondContact O-N 2.94Å |
| 107 | S | 72 | Confident | 67.4 | Low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | | | trans | -80.9 | 86 | 162.6 | -74.7 | 0 | 0 | 0 | 0 | 106.7 | D105 D109 | D105-S107 VanDerWaalsContact C-N 3.28Å; S107-D109 PolarHBondContact O-N 2.81Å |
| 108 | D | 77.2 | Confident | 68.9 | Low | 130 Ų | 130 | 123.7 Ų | 123.7 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | | | trans | -49.3 | 111.7 | 156.6 | -82.7 | -46.6 | 0 | 0 | 0 | 107.7 | D106 I110 | D106-D108 PolarHBondContact O-N 2.94Å; D108-I110 PolarHBondContact O-N 3.03Å |
| 109 | D | 72.4 | Confident | 69.9 | Low | 152 Ų | 152 | 124.8 Ų | 124.8 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | | | trans | -54.5 | 106.8 | 169.6 | -90.9 | -58.2 | 0 | 0 | 0 | 108.1 | S107 V111 | S107-D109 PolarHBondContact O-N 2.81Å; D109-V111 PolarHBondContact O-N 3.01Å |
| 110 | I | 74.4 | Confident | 71.3 | Confident | 144 Ų | 144 | 129 Ų | 129 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | | | trans | -65.1 | 98.2 | 174.1 | 51.5 | 154.2 | 0 | 0 | 0 | 109.1 | D108 I112 | D108-I110 PolarHBondContact O-N 3.03Å; I110-I112 HydrophobicContact CD1-CD1 4.13Å; I110-I112 HydrophobicContact CD1-CG1 4.19Å; I110-I112 PolarHBondContact O-N 3.2Å |
| 111 | V | 78.1 | Confident | 72.2 | Confident | 133 Ų | 133 | 129 Ų | 129 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | | | trans | -71.1 | 94.8 | 173.2 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | D109 A113 | D109-V111 PolarHBondContact O-N 3.01Å; V111-A113 PolarHBondContact O-N 3.13Å |
| 112 | I | 75.5 | Confident | 73 | Confident | 142 Ų | 142 | 127.6 Ų | 127.6 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | | | trans | -75 | 95.8 | 171.6 | -53.8 | 178 | 0 | 0 | 0 | 107.9 | I110 | I110-I112 HydrophobicContact CD1-CD1 4.13Å; I110-I112 HydrophobicContact CD1-CG1 4.19Å; I110-I112 PolarHBondContact O-N 3.2Å |
| 113 | A | 80.1 | Confident | 73.2 | Confident | 75 Ų | 75 | 132.1 Ų | 132.1 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -72 | 134.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V111 | V111-A113 PolarHBondContact O-N 3.13Š|
| 114 | P | 77.6 | Confident | 73.7 | Confident | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63 | 140.4 | 176.2 | 25.5 | -32.7 | 0 | 0 | 0 | 110.8 | L116 | P114-L116 PolarHBondContact O-N 3.28Š|
| 115 | S | 78.1 | Confident | 74.2 | Confident | 124 Ų | 124 | 134.3 Ų | 134.3 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125.2 | 179.9 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 116 | L | 76.4 | Confident | 74.5 | Confident | 153 Ų | 153 | 134.3 Ų | 134.3 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 142.9 | 175.2 | -68 | 173.1 | 0 | 0 | 0 | 110.3 | P114 T118 | P114-L116 PolarHBondContact O-N 3.28Å; L116-T118 PolarHBondContact O-N 2.97Å |
| 117 | P | 76 | Confident | 74.8 | Confident | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 119.8 | 176.2 | 26.2 | -32.4 | 0 | 0 | 0 | 109.8 | K119 | P117-K119 PolarHBondContact O-N 3.31Š|
| 118 | T | 72.4 | Confident | 74.9 | Confident | 114 Ų | 114 | 136.7 Ų | 136.7 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -75 | 118.2 | 172.5 | 49.7 | 0 | 0 | 0 | 0 | 108.8 | L116 N120 | L116-T118 PolarHBondContact O-N 2.97Å; T118-N120 PolarHBondContact O-N 3.34Å; T118-N120 VanDerWaalsContact O-N 3.07Å |
| 119 | K | 74.8 | Confident | 74.8 | Confident | 150 Ų | 150 | 137.1 Ų | 137.1 | 65% | 0.652 | 79% | 0.787 | S | S | * | * | | | trans | -73.9 | 99.7 | 175.8 | -169.1 | -173.3 | 71.8 | 151.1 | 0 | 108.8 | P117 F121 | P117-K119 PolarHBondContact O-N 3.31Å; K119-F121 VanDerWaalsContact CE-CE1 3.47Å; K119-F121 VanDerWaalsContact CE-CE2 3.43Å; K119-F121 PolarHBondContact O-N 3.34Å |
| 120 | N | 74.7 | Confident | 75 | Confident | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 118 | 171.6 | -61.1 | -51.5 | 0 | 0 | 0 | 108.9 | T118 | T118-N120 PolarHBondContact O-N 3.34Å; T118-N120 VanDerWaalsContact O-N 3.07Å |
| 121 | F | 71.8 | Confident | 75 | Confident | 153 Ų | 153 | 135.5 Ų | 135.5 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 131 | 166.7 | -67.1 | -94.1 | 0 | 0 | 0 | 108.1 | K119 V123 | K119-F121 VanDerWaalsContact CE-CE1 3.47Å; K119-F121 VanDerWaalsContact CE-CE2 3.43Å; K119-F121 PolarHBondContact O-N 3.34Å; F121-V123 PolarHBondContact O-N 3.42Å |
| 122 | P | 74.3 | Confident | 74.8 | Confident | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 134.8 | 170.1 | 27.3 | -31.3 | 0 | 0 | 0 | 109.5 | | |
| 123 | V | 65.6 | Low | 74.7 | Confident | 213 Ų | 213 | 135.1 Ų | 135.1 | 100% | 1.291 | 79% | 0.792 | S | S | * | * | | | trans | -69 | 0 | 169.9 | 169.7 | 0 | 0 | 0 | 0 | 110 | F121 | F121-V123 PolarHBondContact O-N 3.42Š|