| 1 | M | 74.3 | Confident | 71.6 | Confident | 244 Ų | 244 | 188 Ų | 188 | 100% | 1.202 | 87% | 0.872 | S | S | * | * | | | | 0 | 125.2 | 0 | -63.4 | -174.8 | -68.2 | 0 | 0 | 108.7 | | |
| 2 | L | 71.9 | Confident | 70.4 | Confident | 175 Ų | 175 | 183 Ų | 183 | 92% | 0.916 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 140.1 | -173 | -170.5 | 64.4 | 0 | 0 | 0 | 111.4 | | |
| 3 | R | 76.9 | Confident | 69.4 | Low | 236 Ų | 236 | 185.5 Ų | 185.5 | 89% | 0.891 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 129.3 | 174.7 | -71.6 | -172.2 | -83.3 | -123.8 | 1.3 | 109.8 | | |
| 4 | R | 81.4 | Confident | 68.4 | Low | 245 Ų | 245 | 181.9 Ų | 181.9 | 93% | 0.925 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -77 | 130.1 | -179.7 | -60.6 | -170.3 | -172.7 | -164 | 2.9 | 110 | | |
| 5 | F | 77.5 | Confident | 67.5 | Low | 204 Ų | 204 | 174.3 Ų | 174.3 | 90% | 0.895 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 131.9 | 170 | -127.1 | -93.2 | 0 | 0 | 0 | 108.9 | Q7 | F5-Q7 PolarHBondContact O-N 2.74Š|
| 6 | K | 74.1 | Confident | 66.3 | Low | 188 Ų | 188 | 173.6 Ų | 173.6 | 82% | 0.817 | 84% | 0.844 | S | S | * | * | | | trans | -75.1 | 101.4 | 176 | -148.6 | -158.1 | -173.6 | -155.4 | 0 | 107.8 | K8 | K6-K8 PolarHBondContact O-N 3.01Š|
| 7 | Q | 69.4 | Low | 66.3 | Low | 179 Ų | 179 | 170.1 Ų | 170.1 | 84% | 0.836 | 84% | 0.842 | S | S | * | * | | | trans | -63.7 | 109.1 | 176.1 | -158 | 169.8 | 4.6 | 0 | 0 | 108 | F5 A9 | F5-Q7 PolarHBondContact O-N 2.74Å; Q7-A9 PolarHBondContact O-N 2.64Å |
| 8 | K | 67.3 | Low | 65.5 | Low | 182 Ų | 182 | 164.6 Ų | 164.6 | 79% | 0.791 | 84% | 0.836 | S | S | * | * | | | trans | -80.1 | 94 | 164.5 | -71 | -168 | 177 | -176 | 0 | 105.9 | K6 H10 | K6-K8 PolarHBondContact O-N 3.01Å; K8-H10 PolarHBondContact O-N 2.73Å; K8-H10 VanDerWaalsContact O-N 3.07Å |
| 9 | A | 64 | Low | 65.3 | Low | 80 Ų | 80 | 164.4 Ų | 164.4 | 66% | 0.661 | 84% | 0.837 | S | S | * | * | | | trans | -62.2 | 110 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | Q7 L11 | Q7-A9 PolarHBondContact O-N 2.64Å; A9-L11 VanDerWaalsContact C-N 3.29Å; A9-L11 PolarHBondContact O-N 3.01Å |
| 10 | H | 65.3 | Low | 65.1 | Low | 166 Ų | 166 | 162.1 Ų | 162.1 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | | | trans | -63.8 | 105 | 158.5 | -72 | -89.6 | 0 | 0 | 0 | 104.8 | K8 T12 | K8-H10 PolarHBondContact O-N 2.73Å; K8-H10 VanDerWaalsContact O-N 3.07Å; H10-T12 PolarHBondContact O-N 2.86Å |
| 11 | L | 65 | Low | 64.9 | Low | 169 Ų | 169 | 159 Ų | 159 | 89% | 0.885 | 83% | 0.829 | S | S | * | * | | | trans | -61.1 | 92 | 167 | -78.6 | 163 | 0 | 0 | 0 | 106.1 | A9 Y13 | A9-L11 VanDerWaalsContact C-N 3.29Å; A9-L11 PolarHBondContact O-N 3.01Å; L11-Y13 PolarHBondContact O-N 3.44Å; L11-Y13 VanDerWaalsContact O-N 3.09Å |
| 12 | T | 57.4 | Low | 63.9 | Low | 128 Ų | 128 | 155.4 Ų | 155.4 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -74.8 | 100 | 170 | 47.9 | 0 | 0 | 0 | 0 | 106.6 | H10 N14 | H10-T12 PolarHBondContact O-N 2.86Å; T12-N14 PolarHBondContact O-N 2.83Å |
| 13 | Y | 57.6 | Low | 63.6 | Low | 215 Ų | 215 | 153.3 Ų | 153.3 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -58.9 | 105.8 | 168 | 175.2 | -97.8 | 0 | 0 | 0 | 109.2 | L11 | L11-Y13 PolarHBondContact O-N 3.44Å; L11-Y13 VanDerWaalsContact O-N 3.09Å |
| 14 | N | 55.2 | Low | 62.6 | Low | 135 Ų | 135 | 145.6 Ų | 145.6 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | 64.2 | 128.9 | 143.3 | -140.7 | 8.8 | 0 | 0 | 0 | 121.1 | T12 | T12-N14 PolarHBondContact O-N 2.83Š|
| 15 | G | 54.6 | Low | 61.2 | Low | 68 Ų | 68 | 143 Ų | 143 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | trans | 102.5 | 89.5 | 138 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 16 | N | 49.2 | Very low | 60.4 | Low | 163 Ų | 163 | 139 Ų | 139 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | | -170.8 | 129.6 | 114.1 | -153.7 | 25.7 | 0 | 0 | 0 | 111.3 | | |
| 17 | S | 66.3 | Low | 59.6 | Low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | -81.2 | 126 | 169.8 | 53.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 18 | G | 51.3 | Low | 58.8 | Low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | -176.6 | 110.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 19 | N | 62.7 | Low | 58.5 | Low | 160 Ų | 160 | 130.8 Ų | 130.8 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -81.2 | 152.2 | 175.5 | 43.3 | -27.6 | 0 | 0 | 0 | 112 | | |
| 20 | S | 61.4 | Low | 58.2 | Low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | 112.8 | 148.2 | 152.1 | -165.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 21 | S | 59.2 | Low | 57.9 | Low | 96 Ų | 96 | 134.9 Ų | 134.9 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | trans | 80.9 | 125.2 | 170.8 | -102.9 | 0 | 0 | 0 | 0 | 117 | | |
| 22 | E | 54.9 | Low | 57.8 | Low | 170 Ų | 170 | 129.1 Ų | 129.1 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | cis | -162.6 | 159.1 | -3.5 | -110.1 | 152.5 | 142.9 | 0 | 0 | 105.7 | | |
| 23 | P | 64.1 | Low | 58.1 | Low | 131 Ų | 131 | 130.4 Ų | 130.4 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | trans | -86.8 | 128.6 | 176.2 | 33.8 | -26.7 | 0 | 0 | 0 | 110.3 | | |
| 24 | G | 56 | Low | 58 | Low | 74 Ų | 74 | 128.6 Ų | 128.6 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | 117.1 | 83.2 | 159 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 25 | E | 53.4 | Low | 58.3 | Low | 191 Ų | 191 | 128.6 Ų | 128.6 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | trans | -117.6 | 105.4 | 146.9 | -63.2 | -173.5 | -153.5 | 0 | 0 | 105.7 | | |
| 26 | T | 59 | Low | 58.6 | Low | 119 Ų | 119 | 128.9 Ų | 128.9 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | | | trans | -43.1 | 135 | 164.8 | 44.3 | 0 | 0 | 0 | 0 | 108.1 | T28 | T26-T28 VanDerWaalsContact C-N 3.31Å; T26-T28 PolarHBondContact O-N 2.72Å |
| 27 | P | 57.5 | Low | 59.6 | Low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | -60.2 | 105.6 | 171 | 25.9 | -31.2 | 0 | 0 | 0 | 105.9 | L29 | P27-L29 VanDerWaalsContact C-N 3.35Å; P27-L29 PolarHBondContact O-N 2.86Å |
| 28 | T | 53.7 | Low | 59.8 | Low | 100 Ų | 100 | 133.9 Ų | 133.9 | 61% | 0.613 | 77% | 0.769 | S | S | * | * | | | trans | -50.6 | 111 | 166.2 | -55.6 | 0 | 0 | 0 | 0 | 104.2 | T26 E30 | T26-T28 VanDerWaalsContact C-N 3.31Å; T26-T28 PolarHBondContact O-N 2.72Å; T28-E30 HydrophobicContact CG2-CG 4.14Å; T28-E30 PolarHBondContact O-N 2.75Å; T28-E30 WeakPolarHBondContact CG2-OE1 3.24Å; T28-E30 VanDerWaalsContact CG2-OE1 3.24Å |
| 29 | L | 60.6 | Low | 61 | Low | 158 Ų | 158 | 133.6 Ų | 133.6 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | | | trans | -66.5 | 80.5 | 167.9 | -78.3 | 170.3 | 0 | 0 | 0 | 104.5 | P27 L31 | P27-L29 VanDerWaalsContact C-N 3.35Å; P27-L29 PolarHBondContact O-N 2.86Å; L29-L31 PolarHBondContact O-N 2.88Å |
| 30 | E | 57.3 | Low | 61.7 | Low | 153 Ų | 153 | 135.8 Ų | 135.8 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | | | trans | -59.5 | 89.8 | 163.6 | -71.9 | -63.7 | 150.9 | 0 | 0 | 104.8 | T28 G32 | T28-E30 HydrophobicContact CG2-CG 4.14Å; T28-E30 PolarHBondContact O-N 2.75Å; T28-E30 WeakPolarHBondContact CG2-OE1 3.24Å; T28-E30 VanDerWaalsContact CG2-OE1 3.24Å; E30-G32 PolarHBondContact O-N 3.06Å |
| 31 | L | 58.8 | Low | 62.8 | Low | 179 Ų | 179 | 141.7 Ų | 141.7 | 94% | 0.937 | 77% | 0.772 | S | S | * | * | | | trans | -72.6 | 51.7 | 174 | -166.6 | 86.5 | 0 | 0 | 0 | 107.8 | L29 | L29-L31 PolarHBondContact O-N 2.88Š|
| 32 | G | 63.7 | Low | 63.8 | Low | 48 Ų | 48 | 142.6 Ų | 142.6 | 50% | 0.495 | 77% | 0.774 | S | S | . | * | | | trans | -139.4 | 102.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E30 | E30-G32 PolarHBondContact O-N 3.06Š|
| 33 | D | 63.3 | Low | 65.4 | Low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | trans | 63.3 | 71.4 | 156.4 | -63.1 | -20.5 | 0 | 0 | 0 | 118.3 | | |
| 34 | Q | 55.2 | Low | 66.6 | Low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | | -142 | 85.1 | 125.1 | -74.3 | -160.8 | 21.5 | 0 | 0 | 109.7 | S36 | Q34-S36 PolarHBondContact O-N 3.09Š|
| 35 | T | 62.1 | Low | 68.1 | Low | 134 Ų | 134 | 150.2 Ų | 150.2 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -62 | 73.1 | 137.1 | 57.5 | 0 | 0 | 0 | 0 | 107 | K37 | T35-K37 PolarHBondContact O-N 2.82Š|
| 36 | S | 60.4 | Low | 69.9 | Low | 75 Ų | 75 | 144.4 Ų | 144.4 | 52% | 0.524 | 76% | 0.757 | S | S | . | * | | | trans | -48.2 | 119.3 | 159.2 | 170.6 | 0 | 0 | 0 | 0 | 103.5 | Q34 K38 | Q34-S36 PolarHBondContact O-N 3.09Å; S36-K38 PolarHBondContact O-N 3.06Å; S36-K38 PolarHBondContact OG-N 2.99Å |
| 37 | K | 70.3 | Confident | 71.2 | Confident | 205 Ų | 205 | 145.7 Ų | 145.7 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | -66.5 | 68.3 | 162.5 | -68.7 | -171.9 | -178.9 | 177.9 | 0 | 106 | T35 G39 | T35-K37 PolarHBondContact O-N 2.82Å; K37-G39 VanDerWaalsContact C-N 3.35Å; K37-G39 PolarHBondContact O-N 3.22Å |
| 38 | K | 70.4 | Confident | 72.4 | Confident | 176 Ų | 176 | 148.2 Ų | 148.2 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | | | trans | -56.6 | 105.5 | 172.8 | 180 | 174.6 | -175.1 | -112.7 | 0 | 103.3 | S36 K40 | S36-K38 PolarHBondContact O-N 3.06Å; S36-K38 PolarHBondContact OG-N 2.99Å; K38-K40 PolarHBondContact O-N 3.07Å |
| 39 | G | 76.3 | Confident | 73.8 | Confident | 67 Ų | 67 | 152 Ų | 152 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | -42 | 116.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 110 | K37 R41 | K37-G39 VanDerWaalsContact C-N 3.35Å; K37-G39 PolarHBondContact O-N 3.22Å; G39-R41 VanDerWaalsContact C-N 3.25Å; G39-R41 PolarHBondContact O-N 3.05Å |
| 40 | K | 79.3 | Confident | 74.5 | Confident | 206 Ų | 206 | 151.8 Ų | 151.8 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | | | trans | -72.9 | 87.7 | 179.5 | -68.4 | -108.5 | -174.3 | 173.1 | 0 | 107.1 | K38 | K38-K40 PolarHBondContact O-N 3.07Š|
| 41 | R | 82.5 | Confident | 75.4 | Confident | 242 Ų | 242 | 151.7 Ų | 151.7 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | | | trans | -92.6 | 102.2 | 172.9 | -157.3 | 172.4 | -174.7 | 167 | 1 | 108.4 | G39 | G39-R41 VanDerWaalsContact C-N 3.25Å; G39-R41 PolarHBondContact O-N 3.05Å |
| 42 | T | 81.9 | Confident | 76.3 | Confident | 115 Ų | 115 | 150.2 Ų | 150.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 128.1 | 177.6 | -59.7 | 0 | 0 | 0 | 0 | 110 | | |
| 43 | R | 87.6 | Confident | 77 | Confident | 177 Ų | 177 | 156.2 Ų | 156.2 | 67% | 0.668 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71 | 138.3 | 175.2 | -69.4 | 171 | 54.9 | -118.6 | -5.9 | 109.8 | | |
| 44 | K | 89.9 | Confident | 77.9 | Confident | 196 Ų | 196 | 156.3 Ų | 156.3 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 122.4 | 171.5 | -62 | -65.2 | -173.9 | 174.4 | 0 | 108.1 | | |
| 45 | F | 87.5 | Confident | 79.4 | Confident | 163 Ų | 163 | 154.8 Ų | 154.8 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -99 | 126.7 | 167.6 | -67.2 | -89.8 | 0 | 0 | 0 | 107.5 | | |
| 46 | G | 91.7 | Very high | 80.7 | Confident | 69 Ų | 69 | 156.3 Ų | 156.3 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 154.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 47 | V | 85.6 | Confident | 82.2 | Confident | 146 Ų | 146 | 162.5 Ų | 162.5 | 89% | 0.885 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 129.2 | 166.8 | 180 | 0 | 0 | 0 | 0 | 107.5 | | |
| 48 | I | 83.1 | Confident | 83.2 | Confident | 170 Ų | 170 | 159 Ų | 159 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 116.3 | 173.1 | -56 | 173.6 | 0 | 0 | 0 | 105.9 | | |
| 49 | S | 82.8 | Confident | 84.4 | Confident | 181 Ų | 181 | 157.5 Ų | 157.5 | 100% | 1.266 | 83% | 0.834 | S | S | * | * | | | trans | -109.9 | 0 | 178.4 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | | |