| 1 | M | 57 | Low | 65.4 | Low | 240 Ų | 240 | 144.6 Ų | 144.6 | 100% | 1.182 | 82% | 0.818 | S | S | * | * | | | | 0 | 103.2 | 0 | -67.6 | -178.8 | 154.1 | 0 | 0 | 107.3 | | |
| 2 | T | 52 | Low | 64.4 | Low | 136 Ų | 136 | 144.4 Ų | 144.4 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | -87.2 | 119.2 | -179.9 | 23.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 3 | T | 67 | Low | 63.6 | Low | 137 Ų | 137 | 141.4 Ų | 141.4 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | | | trans | -88.1 | 114.5 | 172.4 | 48.7 | 0 | 0 | 0 | 0 | 108.5 | S5 | T3-S5 PolarHBondContact O-N 3.25Š|
| 4 | L | 61.7 | Low | 63.1 | Low | 145 Ų | 145 | 139.4 Ų | 139.4 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | -81.2 | 107.4 | 169.6 | -83.8 | 79.4 | 0 | 0 | 0 | 107.9 | | |
| 5 | S | 72.1 | Confident | 62.6 | Low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -80.7 | 113.3 | 171 | 180 | 0 | 0 | 0 | 0 | 109.2 | T3 S7 | T3-S5 PolarHBondContact O-N 3.25Å; S5-S7 PolarHBondContact O-N 3.44Å |
| 6 | L | 68 | Low | 62.6 | Low | 145 Ų | 145 | 138.8 Ų | 138.8 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -89.6 | 98.7 | 169.6 | -77.5 | 96.9 | 0 | 0 | 0 | 109.2 | | |
| 7 | S | 72.5 | Confident | 62.5 | Low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | -80.1 | 113.5 | 165.2 | 169.5 | 0 | 0 | 0 | 0 | 108.7 | S5 | S5-S7 PolarHBondContact O-N 3.44Š|
| 8 | L | 71.3 | Confident | 62.5 | Low | 142 Ų | 142 | 133.6 Ų | 133.6 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -79.9 | 138.6 | 171.4 | -83 | 88.6 | 0 | 0 | 0 | 110 | I10 | L8-I10 PolarHBondContact O-N 3.45Š|
| 9 | P | 65.4 | Low | 62.6 | Low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | | | trans | -67.8 | 127 | 174.3 | 27.3 | -32.8 | 0 | 0 | 0 | 110.9 | I11 | P9-I11 PolarHBondContact O-N 3.22Å; P9-I11 VanDerWaalsContact O-N 3.12Å |
| 10 | I | 68.4 | Low | 62.9 | Low | 158 Ų | 158 | 133.2 Ų | 133.2 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | trans | -69.5 | 103.6 | 169.8 | -63.1 | 167.6 | 0 | 0 | 0 | 107.2 | L8 L12 | L8-I10 PolarHBondContact O-N 3.45Å; I10-L12 PolarHBondContact O-N 3.47Å; I10-L12 VanDerWaalsContact O-N 3.12Å |
| 11 | I | 63.4 | Low | 63.2 | Low | 154 Ų | 154 | 132.8 Ų | 132.8 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | -76.3 | 101.3 | 175.4 | -53.3 | 175.6 | 0 | 0 | 0 | 107.5 | P9 S13 | P9-I11 PolarHBondContact O-N 3.22Å; P9-I11 VanDerWaalsContact O-N 3.12Å; I11-S13 PolarHBondContact O-N 3.26Å |
| 12 | L | 54.4 | Low | 63.6 | Low | 142 Ų | 142 | 127.2 Ų | 127.2 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | | | trans | -72.8 | 97.4 | 176.2 | -156.1 | 70.4 | 0 | 0 | 0 | 108.9 | I10 T14 | I10-L12 PolarHBondContact O-N 3.47Å; I10-L12 VanDerWaalsContact O-N 3.12Å; L12-T14 PolarHBondContact O-N 3.43Å |
| 13 | S | 53.3 | Low | 64.2 | Low | 105 Ų | 105 | 124.3 Ų | 124.3 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | | | trans | -72.1 | 93.2 | 175.1 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | I11 S15 | I11-S13 PolarHBondContact O-N 3.26Å; S13-S15 PolarHBondContact O-N 2.89Å |
| 14 | T | 56.3 | Low | 64.8 | Low | 113 Ų | 113 | 120.3 Ų | 120.3 | 69% | 0.693 | 71% | 0.709 | S | S | * | * | | | trans | -77.8 | 100.5 | 174.1 | 51.6 | 0 | 0 | 0 | 0 | 109.6 | L12 Q16 | L12-T14 PolarHBondContact O-N 3.43Å; T14-Q16 VanDerWaalsContact C-N 3.31Å; T14-Q16 PolarHBondContact O-N 3.48Å |
| 15 | S | 56.6 | Low | 65.6 | Low | 114 Ų | 114 | 119 Ų | 119 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | | | trans | -70.9 | 88.4 | 166.5 | -62.5 | 0 | 0 | 0 | 0 | 108.8 | S13 S17 | S13-S15 PolarHBondContact O-N 2.89Å; S15-S17 PolarHBondContact O-N 3.15Å |
| 16 | Q | 61.5 | Low | 65.7 | Low | 155 Ų | 155 | 122.4 Ų | 122.4 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | | | trans | -75.6 | 103.7 | 174.7 | -177 | 148.2 | 85.5 | 0 | 0 | 109.5 | T14 V18 | T14-Q16 VanDerWaalsContact C-N 3.31Å; T14-Q16 PolarHBondContact O-N 3.48Å; Q16-V18 HydrophobicContact CG-CG2 4.47Å; Q16-V18 PolarHBondContact O-N 2.78Å; Q16-V18 VanDerWaalsContact O-N 3.14Å |
| 17 | S | 61.7 | Low | 66.2 | Low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | | | trans | -69.3 | 103 | 168.1 | 56.3 | 0 | 0 | 0 | 0 | 109 | S15 I19 | S15-S17 PolarHBondContact O-N 3.15Å; S17-I19 PolarHBondContact O-N 3.15Å |
| 18 | V | 62.5 | Low | 66.5 | Low | 81 Ų | 81 | 125.9 Ų | 125.9 | 49% | 0.491 | 71% | 0.709 | S | S | . | * | | | trans | -76.1 | 104.9 | 174.7 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | Q16 M20 | Q16-V18 HydrophobicContact CG-CG2 4.47Å; Q16-V18 PolarHBondContact O-N 2.78Å; Q16-V18 VanDerWaalsContact O-N 3.14Å; V18-M20 HydrophobicContact CG1-CG 3.99Å; V18-M20 PolarHBondContact O-N 3.06Å |
| 19 | I | 64.3 | Low | 67 | Low | 160 Ų | 160 | 125.3 Ų | 125.3 | 82% | 0.821 | 70% | 0.703 | S | S | * | * | | | trans | -73.9 | 111 | 167.5 | -58.5 | 174.3 | 0 | 0 | 0 | 106.4 | S17 | S17-I19 PolarHBondContact O-N 3.15Š|
| 20 | M | 68.1 | Low | 67.8 | Low | 98 Ų | 98 | 129.1 Ų | 129.1 | 48% | 0.483 | 71% | 0.709 | S | S | . | * | | | trans | -91 | 130.4 | 176 | -66 | -173.8 | 68.3 | 0 | 0 | 109.9 | V18 K26 | V18-M20 HydrophobicContact CG1-CG 3.99Å; V18-M20 PolarHBondContact O-N 3.06Å; M20-K26 HydrophobicContact CE-CB 4.46Å; M20-K26 HydrophobicContact CE-CG 4.28Å |
| 21 | E | 70.1 | Confident | 68.5 | Low | 126 Ų | 126 | 125.3 Ų | 125.3 | 59% | 0.589 | 70% | 0.701 | S | S | * | * | | | trans | -77.7 | 134.1 | 171.7 | -172.6 | -75.9 | 153.1 | 0 | 0 | 109.5 | G23 S24 | E21-G23 PolarHBondContact O-N 2.83Å; E21-S24 PolarHBondContact O-N 2.7Å; E21-S24 PolarHBondContact O-OG 2.76Å |
| 22 | P | 65.9 | Low | 69.4 | Low | 123 Ų | 123 | 124.1 Ų | 124.1 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 91.6 | -174.2 | 29.6 | -34.2 | 0 | 0 | 0 | 111.5 | | |
| 23 | G | 64.4 | Low | 70.7 | Confident | 75 Ų | 75 | 122 Ų | 122 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152.5 | -19.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E21 | E21-G23 PolarHBondContact O-N 2.83Š|
| 24 | S | 78.9 | Confident | 71.6 | Confident | 53 Ų | 53 | 122.5 Ų | 122.5 | 37% | 0.371 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -72.6 | 143.4 | 178.4 | 59.6 | 0 | 0 | 0 | 0 | 113.8 | E21 K26 | E21-S24 PolarHBondContact O-N 2.7Å; E21-S24 PolarHBondContact O-OG 2.76Å; S24-K26 PolarHBondContact O-N 2.96Å |
| 25 | P | 78.2 | Confident | 72.5 | Confident | 118 Ų | 118 | 125.2 Ų | 125.2 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | | | trans | -55 | 131.2 | 172.5 | -24.5 | 33.3 | 0 | 0 | 0 | 110.5 | K27 | P25-K27 PolarHBondContact O-N 3.28Š|
| 26 | K | 75.1 | Confident | 73.1 | Confident | 186 Ų | 186 | 128.6 Ų | 128.6 | 81% | 0.809 | 71% | 0.709 | S | S | * | * | | | trans | -59.7 | 101.8 | -179.2 | -70 | 179.8 | 178 | 170.9 | 0 | 109.8 | M20 S24 I28 | M20-K26 HydrophobicContact CE-CB 4.46Å; M20-K26 HydrophobicContact CE-CG 4.28Å; S24-K26 PolarHBondContact O-N 2.96Å; K26-I28 PolarHBondContact O-N 2.83Å |
| 27 | K | 78.5 | Confident | 73.6 | Confident | 191 Ų | 191 | 124 Ų | 124 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | | | trans | -64.9 | 115.7 | 167.2 | -84.7 | -173.9 | 161.4 | -175.7 | 0 | 107.5 | P25 Q29 | P25-K27 PolarHBondContact O-N 3.28Å; K27-Q29 PolarHBondContact O-N 2.99Å |
| 28 | I | 78.4 | Confident | 73.9 | Confident | 136 Ų | 136 | 128.6 Ų | 128.6 | 70% | 0.697 | 71% | 0.713 | S | S | * | * | | | trans | -70.9 | 112.5 | 172.3 | -57.1 | 172.9 | 0 | 0 | 0 | 106.5 | K26 F30 | K26-I28 PolarHBondContact O-N 2.83Å; I28-F30 HydrophobicContact CG2-CD2 4.38Å; I28-F30 HydrophobicContact CG2-CE1 4.45Å; I28-F30 HydrophobicContact CG2-CE2 4.04Å; I28-F30 HydrophobicContact CG2-CZ 4.09Å |
| 29 | Q | 81.1 | Confident | 74.5 | Confident | 131 Ų | 131 | 129.4 Ų | 129.4 | 61% | 0.612 | 71% | 0.714 | S | S | * | * | | | trans | -89.3 | 108.8 | 171.5 | -168.1 | 173 | 16.1 | 0 | 0 | 107.7 | K27 A31 | K27-Q29 PolarHBondContact O-N 2.99Å; Q29-A31 PolarHBondContact O-N 3.13Å; Q29-A31 VanDerWaalsContact O-N 3.07Å |
| 30 | F | 82.6 | Confident | 75.5 | Confident | 188 Ų | 188 | 126.1 Ų | 126.1 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | | | trans | -72.6 | 100.6 | 167.9 | -68.5 | -82.7 | 0 | 0 | 0 | 107.8 | I28 | I28-F30 HydrophobicContact CG2-CD2 4.38Å; I28-F30 HydrophobicContact CG2-CE1 4.45Å; I28-F30 HydrophobicContact CG2-CE2 4.04Å; I28-F30 HydrophobicContact CG2-CZ 4.09Å |
| 31 | A | 82.4 | Confident | 76.3 | Confident | 78 Ų | 78 | 126.1 Ų | 126.1 | 65% | 0.645 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 137.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q29 P33 | Q29-A31 PolarHBondContact O-N 3.13Å; Q29-A31 VanDerWaalsContact O-N 3.07Å; A31-P33 VanDerWaalsContact O-CD 3.25Å; A31-P33 WeakPolarHBondContact O-CD 3.45Å |
| 32 | V | 83.3 | Confident | 77.2 | Confident | 129 Ų | 129 | 127 Ų | 127 | 78% | 0.782 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 118.1 | 165 | 177.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 33 | P | 81 | Confident | 78.1 | Confident | 99 Ų | 99 | 122.8 Ų | 122.8 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 134.5 | 174.7 | -21.3 | 33.2 | 0 | 0 | 0 | 108.4 | A31 L35 | A31-P33 VanDerWaalsContact O-CD 3.25Å; A31-P33 WeakPolarHBondContact O-CD 3.45Å; P33-L35 PolarHBondContact O-N 3.19Å |
| 34 | P | 73.8 | Confident | 79.2 | Confident | 115 Ų | 115 | 120.4 Ų | 120.4 | 75% | 0.747 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 121.2 | 174.2 | 21.4 | -29.9 | 0 | 0 | 0 | 107.8 | Q36 | P34-Q36 PolarHBondContact O-N 3.48Š|
| 35 | L | 75 | Confident | 79.6 | Confident | 169 Ų | 169 | 121.5 Ų | 121.5 | 89% | 0.885 | 66% | 0.657 | S | S | * | * | | | trans | -60.5 | 108.5 | 176.3 | -66.6 | 175.9 | 0 | 0 | 0 | 107 | P33 G37 | P33-L35 PolarHBondContact O-N 3.19Å; L35-G37 PolarHBondContact O-N 3.19Å |
| 36 | Q | 68.9 | Low | 80.2 | Confident | 186 Ų | 186 | 121.6 Ų | 121.6 | 87% | 0.869 | 65% | 0.647 | S | S | * | * | | | trans | -70.7 | 98.4 | -177.8 | -70.2 | -178.9 | -16.9 | 0 | 0 | 109.1 | P34 | P34-Q36 PolarHBondContact O-N 3.48Š|
| 37 | G | 72.1 | Confident | 80.8 | Confident | 59 Ų | 59 | 116.1 Ų | 116.1 | 61% | 0.608 | 63% | 0.626 | S | S | * | * | | | trans | 78.8 | 131.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | L35 I39 | L35-G37 PolarHBondContact O-N 3.19Å; G37-I39 VanDerWaalsContact C-N 3.31Å; G37-I39 PolarHBondContact O-N 2.82Å |
| 38 | Q | 68.1 | Low | 81.1 | Confident | 200 Ų | 200 | 114.9 Ų | 114.9 | 94% | 0.935 | 62% | 0.616 | S | S | * | * | | | trans | -61.5 | 97.3 | 153.3 | -73 | -168.9 | -86.7 | 0 | 0 | 108.1 | | |
| 39 | I | 74.2 | Confident | 81.4 | Confident | 97 Ų | 97 | 117.9 Ų | 117.9 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | | | trans | -61.3 | 144.3 | 162.9 | -41.5 | 174.6 | 0 | 0 | 0 | 106.7 | G37 A43 I47 | G37-I39 VanDerWaalsContact C-N 3.31Å; G37-I39 PolarHBondContact O-N 2.82Å; I39-A43 HydrophobicContact CG2-CB 3.89Å; I39-I47 HydrophobicContact CD1-CD1 4.23Å |
| 40 | D | 86.4 | Confident | 81.5 | Confident | 91 Ų | 91 | 121.9 Ų | 121.9 | 49% | 0.487 | 63% | 0.628 | S | S | . | * | | | trans | -45 | 127.4 | 172.9 | -178.5 | -32.2 | 0 | 0 | 0 | 109.3 | Q42 A43 A44 | D40-Q42 PolarHBondContact O-N 3.35Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.4Å; D40-Q42 PolarHBondContact OD1-N 3.32Å; D40-A43 HydrophobicContact CB-CB 4.05Å; D40-A43 WeakPolarHBondContact O-CA 3.48Å; D40-A43 PolarHBondContact O-N 2.98Å; D40-A44 PolarHBondContact O-N 3.23Å |
| 41 | P | 83.5 | Confident | 81.8 | Confident | 99 Ų | 99 | 121.9 Ų | 121.9 | 64% | 0.643 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -47.1 | -36.3 | 178.8 | -28.9 | 34.5 | 0 | 0 | 0 | 113.8 | E45 | P41-E45 PolarHBondContact O-N 3.3Å |
| 42 | Q | 88.5 | Confident | 81.8 | Confident | 143 Ų | 143 | 120.7 Ų | 120.7 | 67% | 0.668 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70 | -42.2 | 177.5 | -61.9 | -169.6 | -43.1 | 0 | 0 | 111.9 | D40 E45 H46 | D40-Q42 PolarHBondContact O-N 3.35Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.4Å; D40-Q42 PolarHBondContact OD1-N 3.32Å; Q42-E45 PolarHBondContact O-N 2.96Å; Q42-H46 PolarHBondContact O-N 3.44Å |
| 43 | A | 86.4 | Confident | 81.9 | Confident | 35 Ų | 35 | 118.2 Ų | 118.2 | 29% | 0.289 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69 | -35.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I39 D40 E45 H46 I47 | I39-A43 HydrophobicContact CG2-CB 3.89Å; D40-A43 HydrophobicContact CB-CB 4.05Å; D40-A43 WeakPolarHBondContact O-CA 3.48Å; D40-A43 PolarHBondContact O-N 2.98Å; A43-E45 VanDerWaalsContact C-N 3.33Å; A43-E45 PolarHBondContact O-N 2.93Å; A43-H46 PolarHBondContact O-N 2.93Å; A43-I47 WeakPolarHBondContact O-CG1 3.22Å; A43-I47 PolarHBondContact O-N 3.21Å |
| 44 | A | 86.3 | Confident | 82 | Confident | 26 Ų | 26 | 118.9 Ų | 118.9 | 22% | 0.215 | 60% | 0.598 | C | S | . | * | H | α-helix | trans | -59.8 | -44.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | D40 I47 R48 | D40-A44 PolarHBondContact O-N 3.23Å; A44-I47 PolarHBondContact O-N 3.46Å; A44-R48 WeakPolarHBondContact O-CG 3.37Å; A44-R48 PolarHBondContact O-N 3.44Å |
| 45 | E | 87.4 | Confident | 82.3 | Confident | 75 Ų | 75 | 116.3 Ų | 116.3 | 35% | 0.35 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.6 | -40.8 | 174.6 | -75.8 | -56.4 | 131.9 | 0 | 0 | 112.6 | P41 Q42 A43 I47 R48 R49 | P41-E45 PolarHBondContact O-N 3.3Å; Q42-E45 PolarHBondContact O-N 2.96Å; A43-E45 VanDerWaalsContact C-N 3.33Å; A43-E45 PolarHBondContact O-N 2.93Å; E45-I47 VanDerWaalsContact C-N 3.32Å; E45-I47 PolarHBondContact O-N 2.86Å; E45-R48 PolarHBondContact O-N 3.16Å; E45-R48 WeakPolarHBondContact OE1-CD 3.33Å; E45-R48 IonicContact OE1-CZ 3.69Å; E45-R48 IonicContact OE1-NE 3.93Å; E45-R48 IonicContact OE1-NH1 2.71Å; E45-R48 PolarHBondContact OE1-NH1 3.25Å; E45-R49 WeakPolarHBondContact O-CG 3.4Å; E45-R49 PolarHBondContact O-N 3Å |
| 46 | H | 91.6 | Very high | 82.7 | Confident | 120 Ų | 120 | 110.8 Ų | 110.8 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.7 | -40.6 | 173.7 | -71.7 | 169.7 | 0 | 0 | 0 | 112.6 | Q42 A43 R50 | Q42-H46 PolarHBondContact O-N 3.44Å; A43-H46 PolarHBondContact O-N 2.93Å; H46-R50 WeakPolarHBondContact O-CB 3.33Å; H46-R50 VanDerWaalsContact O-CG 3.25Å; H46-R50 WeakPolarHBondContact O-CG 3.25Å; H46-R50 PolarHBondContact O-N 3.02Å; H46-R50 VanDerWaalsContact O-N 3.14Å |
| 47 | I | 86.4 | Confident | 83.3 | Confident | 72 Ų | 72 | 105 Ų | 105 | 37% | 0.369 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 174.7 | -67.8 | 169.8 | 0 | 0 | 0 | 110.5 | I39 A43 A44 E45 R49 R50 R51 | I39-I47 HydrophobicContact CD1-CD1 4.23Å; A43-I47 WeakPolarHBondContact O-CG1 3.22Å; A43-I47 PolarHBondContact O-N 3.21Å; A44-I47 PolarHBondContact O-N 3.46Å; E45-I47 VanDerWaalsContact C-N 3.32Å; E45-I47 PolarHBondContact O-N 2.86Å; I47-R49 VanDerWaalsContact C-N 3.33Å; I47-R49 PolarHBondContact O-N 3.09Å; I47-R50 PolarHBondContact O-N 3.25Å; I47-R51 HydrophobicContact CG2-CB 4.49Å; I47-R51 HydrophobicContact CG2-CG 4.32Å; I47-R51 WeakPolarHBondContact O-CB 3.25Å; I47-R51 PolarHBondContact O-N 3.07Å |
| 48 | R | 84.6 | Confident | 83.8 | Confident | 165 Ų | 165 | 108.6 Ų | 108.6 | 62% | 0.623 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.1 | -42.4 | 179.4 | -75.3 | 170.4 | 171.4 | 177.7 | -2.7 | 112.6 | A44 E45 R51 | A44-R48 WeakPolarHBondContact O-CG 3.37Å; A44-R48 PolarHBondContact O-N 3.44Å; E45-R48 PolarHBondContact O-N 3.16Å; E45-R48 WeakPolarHBondContact OE1-CD 3.33Å; E45-R48 IonicContact OE1-CZ 3.69Å; E45-R48 IonicContact OE1-NE 3.93Å; E45-R48 IonicContact OE1-NH1 2.71Å; E45-R48 PolarHBondContact OE1-NH1 3.25Å; R48-R51 CarbonylContact O-C 3.53Å |
| 49 | R | 84.8 | Confident | 84.6 | Confident | 198 Ų | 198 | 103.7 Ų | 103.7 | 75% | 0.747 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.3 | -35.7 | 177.6 | -68 | 178.6 | -175.7 | -170.7 | -0.1 | 112.8 | E45 I47 | E45-R49 WeakPolarHBondContact O-CG 3.4Å; E45-R49 PolarHBondContact O-N 3Å; I47-R49 VanDerWaalsContact C-N 3.33Å; I47-R49 PolarHBondContact O-N 3.09Å |
| 50 | R | 84.6 | Confident | 84.7 | Confident | 215 Ų | 215 | 106.3 Ų | 106.3 | 81% | 0.811 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -85.2 | -22.4 | -179.3 | -67.8 | 177.1 | 68.9 | -174.3 | 3.8 | 113.9 | H46 I47 P52 | H46-R50 WeakPolarHBondContact O-CB 3.33Å; H46-R50 VanDerWaalsContact O-CG 3.25Å; H46-R50 WeakPolarHBondContact O-CG 3.25Å; H46-R50 PolarHBondContact O-N 3.02Å; H46-R50 VanDerWaalsContact O-N 3.14Å; I47-R50 PolarHBondContact O-N 3.25Å; R50-P52 VanDerWaalsContact C-CD 3.45Å; R50-P52 WeakPolarHBondContact O-CD 3.41Å |
| 51 | R | 87.8 | Confident | 84.4 | Confident | 189 Ų | 189 | 110.9 Ų | 110.9 | 71% | 0.713 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -122.6 | 72 | -179.1 | -59.2 | -170.1 | -176.8 | -175.6 | -1.1 | 108.7 | I47 R48 T53 | I47-R51 HydrophobicContact CG2-CB 4.49Å; I47-R51 HydrophobicContact CG2-CG 4.32Å; I47-R51 WeakPolarHBondContact O-CB 3.25Å; I47-R51 PolarHBondContact O-N 3.07Å; R48-R51 CarbonylContact O-C 3.53Å; R51-T53 PolarHBondContact O-N 3.18Å |
| 52 | P | 83.9 | Confident | 84 | Confident | 52 Ų | 52 | 111.5 Ų | 111.5 | 34% | 0.338 | 52% | 0.524 | S | S | . | . | | | trans | -54.2 | 133.3 | 173.2 | 23.5 | -32.3 | 0 | 0 | 0 | 108.4 | R50 T56 L57 | R50-P52 VanDerWaalsContact C-CD 3.45Å; R50-P52 WeakPolarHBondContact O-CD 3.41Å; P52-T56 HydrophobicContact CB-CG2 4.28Å; P52-L57 HydrophobicContact CB-CB 4.41Å; P52-L57 HydrophobicContact CG-CB 4.43Å; P52-L57 HydrophobicContact CG-CD1 4.34Å |
| 53 | T | 85.1 | Confident | 82.7 | Confident | 78 Ų | 78 | 111.2 Ų | 111.2 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | | | trans | -56 | 151.1 | 172.9 | 69.1 | 0 | 0 | 0 | 0 | 109.2 | R51 A55 T56 L57 | R51-T53 PolarHBondContact O-N 3.18Å; T53-A55 PolarHBondContact O-N 3.3Å; T53-A55 VanDerWaalsContact O-N 3.09Å; T53-T56 PolarHBondContact O-N 3.33Å; T53-T56 PolarHBondContact OG1-N 2.78Å; T53-T56 PolarHBondContact OG1-OG1 3.14Å; T53-L57 PolarHBondContact O-N 3.2Å |
| 54 | P | 82.9 | Confident | 81.4 | Confident | 112 Ų | 112 | 113.2 Ų | 113.2 | 73% | 0.727 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -51.7 | -36 | 178.4 | -29.2 | 35.5 | 0 | 0 | 0 | 113.5 | L57 Q58 | P54-L57 PolarHBondContact O-N 3.2Å; P54-Q58 WeakPolarHBondContact O-CB 3.42Å; P54-Q58 PolarHBondContact O-N 2.98Å |
| 55 | A | 80.1 | Confident | 79.9 | Confident | 62 Ų | 62 | 115.8 Ų | 115.8 | 51% | 0.512 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.5 | -50.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T53 L57 Q58 I59 | T53-A55 PolarHBondContact O-N 3.3Å; T53-A55 VanDerWaalsContact O-N 3.09Å; A55-L57 VanDerWaalsContact C-N 3.32Å; A55-L57 PolarHBondContact O-N 3.14Å; A55-Q58 PolarHBondContact O-N 3.39Å; A55-I59 WeakPolarHBondContact O-CG1 3.36Å; A55-I59 PolarHBondContact O-N 3.04Å |
| 56 | T | 82.3 | Confident | 78.4 | Confident | 53 Ų | 53 | 119.8 Ų | 119.8 | 33% | 0.325 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.8 | -41.1 | 175.3 | -52.4 | 0 | 0 | 0 | 0 | 111.8 | P52 T53 Q58 I59 Y60 | P52-T56 HydrophobicContact CB-CG2 4.28Å; T53-T56 PolarHBondContact O-N 3.33Å; T53-T56 PolarHBondContact OG1-N 2.78Å; T53-T56 PolarHBondContact OG1-OG1 3.14Å; T56-Q58 VanDerWaalsContact C-N 3.31Å; T56-Q58 PolarHBondContact O-N 3.26Å; T56-I59 PolarHBondContact O-N 2.9Å; T56-Y60 HydrophobicContact CG2-CD2 4.07Å; T56-Y60 HydrophobicContact CG2-CE2 3.56Å; T56-Y60 VanDerWaalsContact O-CD2 3.22Å; T56-Y60 WeakPolarHBondContact O-CD2 3.33Å; T56-Y60 PolarHBondContact O-N 2.92Å; T56-Y60 VanDerWaalsContact O-N 3.16Å |
| 57 | L | 81.6 | Confident | 76.5 | Confident | 64 Ų | 64 | 119 Ų | 119 | 34% | 0.335 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64 | -37.1 | 177 | -178 | 63.5 | 0 | 0 | 0 | 111.9 | P52 T53 P54 A55 R61 | P52-L57 HydrophobicContact CB-CB 4.41Å; P52-L57 HydrophobicContact CG-CB 4.43Å; P52-L57 HydrophobicContact CG-CD1 4.34Å; T53-L57 PolarHBondContact O-N 3.2Å; P54-L57 PolarHBondContact O-N 3.2Å; A55-L57 VanDerWaalsContact C-N 3.32Å; A55-L57 PolarHBondContact O-N 3.14Å; L57-R61 WeakPolarHBondContact O-CG 3.44Å; L57-R61 PolarHBondContact O-N 2.97Å |
| 58 | Q | 83.4 | Confident | 74.7 | Confident | 135 Ų | 135 | 118 Ų | 118 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.8 | -36.7 | 175.7 | -175.7 | 174.3 | -26 | 0 | 0 | 112 | P54 A55 T56 R61 Q62 | P54-Q58 WeakPolarHBondContact O-CB 3.42Å; P54-Q58 PolarHBondContact O-N 2.98Å; A55-Q58 PolarHBondContact O-N 3.39Å; T56-Q58 VanDerWaalsContact C-N 3.31Å; T56-Q58 PolarHBondContact O-N 3.26Å; Q58-R61 PolarHBondContact O-N 2.97Å; Q58-Q62 PolarHBondContact O-N 3.4Å |
| 59 | I | 84 | Confident | 73.2 | Confident | 97 Ų | 97 | 117.5 Ų | 117.5 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.5 | -46.3 | 174.6 | -66.7 | 164.2 | 0 | 0 | 0 | 110.4 | A55 T56 R61 Q62 | A55-I59 WeakPolarHBondContact O-CG1 3.36Å; A55-I59 PolarHBondContact O-N 3.04Å; T56-I59 PolarHBondContact O-N 2.9Å; I59-R61 PolarHBondContact O-N 3.18Å; I59-Q62 WeakPolarHBondContact O-CB 3.41Å; I59-Q62 PolarHBondContact O-N 2.95Å; I59-Q62 VanDerWaalsContact O-N 3.13Å |
| 60 | Y | 78 | Confident | 71.7 | Confident | 151 Ų | 151 | 117 Ų | 117 | 59% | 0.592 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.4 | -22.4 | 176.6 | -71.4 | -56.2 | 0 | 0 | 0 | 114.4 | T56 Q62 | T56-Y60 HydrophobicContact CG2-CD2 4.07Å; T56-Y60 HydrophobicContact CG2-CE2 3.56Å; T56-Y60 VanDerWaalsContact O-CD2 3.22Å; T56-Y60 WeakPolarHBondContact O-CD2 3.33Å; T56-Y60 PolarHBondContact O-N 2.92Å; T56-Y60 VanDerWaalsContact O-N 3.16Å; Y60-Q62 VanDerWaalsContact C-N 3.32Å |
| 61 | R | 78.8 | Confident | 70.2 | Confident | 188 Ų | 188 | 114.5 Ų | 114.5 | 71% | 0.709 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -6.8 | 177.4 | -74.2 | 176.7 | 179 | 174 | -0.3 | 113.4 | L57 Q58 I59 P63 | L57-R61 WeakPolarHBondContact O-CG 3.44Å; L57-R61 PolarHBondContact O-N 2.97Å; Q58-R61 PolarHBondContact O-N 2.97Å; I59-R61 PolarHBondContact O-N 3.18Å; R61-P63 WeakPolarHBondContact O-CD 3.47Å |
| 62 | Q | 75.6 | Confident | 68.4 | Low | 111 Ų | 111 | 112.9 Ų | 112.9 | 52% | 0.519 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -69.6 | 124.2 | -180 | -66.9 | -170.3 | 14.3 | 0 | 0 | 110.1 | Q58 I59 Y60 G64 | Q58-Q62 PolarHBondContact O-N 3.4Å; I59-Q62 WeakPolarHBondContact O-CB 3.41Å; I59-Q62 PolarHBondContact O-N 2.95Å; I59-Q62 VanDerWaalsContact O-N 3.13Å; Y60-Q62 VanDerWaalsContact C-N 3.32Å; Q62-G64 PolarHBondContact O-N 3.32Å |
| 63 | P | 60.7 | Low | 66.7 | Low | 138 Ų | 138 | 114.6 Ų | 114.6 | 90% | 0.896 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 102.5 | 176.8 | 27.7 | -31 | 0 | 0 | 0 | 108.5 | R61 | R61-P63 WeakPolarHBondContact O-CD 3.47Š|
| 64 | G | 59.1 | Low | 65 | Low | 77 Ų | 77 | 117 Ų | 117 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.4 | -11.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q62 | Q62-G64 PolarHBondContact O-N 3.32Š|
| 65 | T | 55.7 | Low | 63.2 | Low | 79 Ų | 79 | 115.3 Ų | 115.3 | 49% | 0.485 | 67% | 0.667 | S | S | . | * | | | trans | -107.1 | 94.3 | 173 | 57.3 | 0 | 0 | 0 | 0 | 109.8 | V67 | T65-V67 VanDerWaalsContact C-N 3.28Å; T65-V67 PolarHBondContact O-N 3.26Å |
| 66 | D | 54.5 | Low | 61 | Low | 160 Ų | 160 | 120.4 Ų | 120.4 | 86% | 0.856 | 68% | 0.68 | S | S | * | * | | | trans | -58.5 | 94.1 | 159.6 | -177.7 | 59.3 | 0 | 0 | 0 | 108.2 | | |
| 67 | V | 53.3 | Low | 59.8 | Low | 103 Ų | 103 | 123.5 Ų | 123.5 | 62% | 0.624 | 70% | 0.701 | S | S | * | * | | | trans | -121.9 | 97.1 | 162.4 | -160 | 0 | 0 | 0 | 0 | 104.2 | T65 | T65-V67 VanDerWaalsContact C-N 3.28Å; T65-V67 PolarHBondContact O-N 3.26Å |
| 68 | G | 48.7 | Very low | 58.1 | Low | 51 Ų | 51 | 128.1 Ų | 128.1 | 53% | 0.526 | 72% | 0.721 | S | S | . | * | | | trans | -55.8 | 153.7 | -161.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q70 | G68-Q70 PolarHBondContact O-N 3.07Š|
| 69 | D | 52 | Low | 56.1 | Low | 154 Ų | 154 | 125.6 Ų | 125.6 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | | | trans | 27 | 88.1 | 140.5 | -88.2 | -20.2 | 0 | 0 | 0 | 116 | | |
| 70 | Q | 52.9 | Low | 54.6 | Low | 188 Ų | 188 | 127 Ų | 127 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | | | trans | -141 | 52 | 140.2 | -74 | -149 | 98 | 0 | 0 | 109.9 | G68 | G68-Q70 PolarHBondContact O-N 3.07Š|
| 71 | Q | 53.5 | Low | 53.1 | Low | 162 Ų | 162 | 126.3 Ų | 126.3 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -79.9 | 119.3 | 148.2 | -60.7 | -169.4 | -32.6 | 0 | 0 | 106.3 | | |
| 72 | N | 50.1 | Low | 51.8 | Low | 155 Ų | 155 | 121.9 Ų | 121.9 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | | | trans | 77.9 | 94.8 | 165.4 | -46.4 | -64.7 | 0 | 0 | 0 | 117.3 | | |
| 73 | A | 47.7 | Very low | 50.8 | Low | 89 Ų | 89 | 119.7 Ų | 119.7 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | trans | -137 | 107.1 | 138.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 74 | S | 50.7 | Low | 50.6 | Low | 127 Ų | 127 | 122 Ų | 122 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 97.1 | 98.3 | 160.2 | -46.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 75 | G | 44.2 | Very low | 50.4 | Low | 77 Ų | 77 | 129.2 Ų | 129.2 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 127.2 | 81.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 76 | E | 34.7 | Very low | 50.6 | Low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | 92.7 | 118.5 | 151.7 | -149.5 | 152.7 | 147 | 0 | 0 | 119.2 | Q78 | E76-Q78 HydrophobicContact CG-CG 4.15Š|
| 77 | P | 57.5 | Low | 50.9 | Low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | -93.7 | 103.7 | 167.1 | 33.9 | -23.2 | 0 | 0 | 0 | 108.8 | | |
| 78 | Q | 45.6 | Very low | 51.2 | Low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -139.4 | 116.7 | 168.2 | -77 | -65.8 | -73.8 | 0 | 0 | 111.6 | E76 | E76-Q78 HydrophobicContact CG-CG 4.15Š|
| 79 | A | 40.2 | Very low | 52.4 | Low | 83 Ų | 83 | 139.5 Ų | 139.5 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | | | trans | 58.6 | 102.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | D81 | A79-D81 PolarHBondContact O-N 3.48Š|
| 80 | S | 53.3 | Low | 53.3 | Low | 127 Ų | 127 | 141 Ų | 141 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -51.3 | 87.6 | 140.3 | 50.2 | 0 | 0 | 0 | 0 | 109.5 | A82 | S80-A82 PolarHBondContact O-N 3.22Š|
| 81 | D | 46.5 | Very low | 54.6 | Low | 135 Ų | 135 | 136.1 Ų | 136.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | -68.3 | 118.3 | 164.4 | -158.4 | -28.9 | 0 | 0 | 0 | 106.5 | A79 A83 | A79-D81 PolarHBondContact O-N 3.48Å; D81-A83 PolarHBondContact O-N 2.71Å |
| 82 | A | 51.9 | Low | 55.8 | Low | 95 Ų | 95 | 132.6 Ų | 132.6 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -66.8 | 29.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S80 Q84 | S80-A82 PolarHBondContact O-N 3.22Å; A82-Q84 PolarHBondContact O-N 3.24Å |
| 83 | A | 53.5 | Low | 57.1 | Low | 65 Ų | 65 | 130.5 Ų | 130.5 | 54% | 0.537 | 76% | 0.764 | S | S | . | * | | | trans | -78.7 | 68.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109 | D81 R85 | D81-A83 PolarHBondContact O-N 2.71Å; A83-R85 HydrophobicContact CB-CB 4.34Å; A83-R85 PolarHBondContact O-N 2.87Å |
| 84 | Q | 56.4 | Low | 58.4 | Low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | | | trans | -58.7 | 60.7 | 143.4 | -70.4 | 175 | -51 | 0 | 0 | 108.3 | A82 K86 | A82-Q84 PolarHBondContact O-N 3.24Å; Q84-K86 PolarHBondContact O-N 2.96Å |
| 85 | R | 56.2 | Low | 59.2 | Low | 229 Ų | 229 | 133.9 Ų | 133.9 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | -82.7 | 72.7 | 178.4 | -168.9 | 170.9 | 172.1 | 149.1 | -2.6 | 106.9 | A83 | A83-R85 HydrophobicContact CB-CB 4.34Å; A83-R85 PolarHBondContact O-N 2.87Å |
| 86 | K | 59.5 | Low | 60.1 | Low | 180 Ų | 180 | 138.9 Ų | 138.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | trans | 52 | 98.6 | 161.7 | -48.7 | -156.5 | -179.7 | -161.8 | 0 | 113.2 | Q84 S88 | Q84-K86 PolarHBondContact O-N 2.96Å; K86-S88 PolarHBondContact O-N 3.19Å |
| 87 | Q | 60 | Low | 61 | Low | 189 Ų | 189 | 134.2 Ų | 134.2 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | | | trans | -37.5 | 113.7 | 144.9 | -171.4 | 176.6 | -13.2 | 0 | 0 | 107.3 | T89 | Q87-T89 VanDerWaalsContact C-N 3.26Å; Q87-T89 PolarHBondContact O-N 2.96Å |
| 88 | S | 59.5 | Low | 60.8 | Low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | -67.2 | 81.9 | -170.7 | 57.6 | 0 | 0 | 0 | 0 | 110 | K86 Y90 | K86-S88 PolarHBondContact O-N 3.19Å; S88-Y90 PolarHBondContact O-N 3.04Å; S88-Y90 VanDerWaalsContact O-N 3.15Å |
| 89 | T | 74 | Confident | 61.1 | Low | 123 Ų | 123 | 138.3 Ų | 138.3 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -72.6 | 104.9 | 167.2 | -59.7 | 0 | 0 | 0 | 0 | 107 | Q87 A91 | Q87-T89 VanDerWaalsContact C-N 3.26Å; Q87-T89 PolarHBondContact O-N 2.96Å; T89-A91 PolarHBondContact O-N 2.89Å; T89-A91 VanDerWaalsContact O-N 3.15Å |
| 90 | Y | 72 | Confident | 61.4 | Low | 186 Ų | 186 | 142.1 Ų | 142.1 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | | | trans | -59.1 | 115.4 | 171.8 | 174.9 | -104.3 | 0 | 0 | 0 | 109.1 | S88 P92 | S88-Y90 PolarHBondContact O-N 3.04Å; S88-Y90 VanDerWaalsContact O-N 3.15Å; Y90-P92 HydrophobicContact CD1-CB 4.48Å; Y90-P92 HydrophobicContact CE1-CB 3.67Å; Y90-P92 HydrophobicContact CE1-CG 4.15Å |
| 91 | A | 78.9 | Confident | 61.5 | Low | 85 Ų | 85 | 146.8 Ų | 146.8 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | | | trans | -104.1 | 103.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108 | T89 | T89-A91 PolarHBondContact O-N 2.89Å; T89-A91 VanDerWaalsContact O-N 3.15Å |
| 92 | P | 79.8 | Confident | 61.2 | Low | 88 Ų | 88 | 145.8 Ų | 145.8 | 57% | 0.571 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 142.5 | -179.4 | 23.5 | -30.6 | 0 | 0 | 0 | 110.9 | Y90 | Y90-P92 HydrophobicContact CD1-CB 4.48Å; Y90-P92 HydrophobicContact CE1-CB 3.67Å; Y90-P92 HydrophobicContact CE1-CG 4.15Å |
| 93 | P | 77.1 | Confident | 61 | Low | 112 Ų | 112 | 146.8 Ų | 146.8 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 139.9 | 175 | 27.6 | -33.5 | 0 | 0 | 0 | 110.6 | | |
| 94 | S | 74.4 | Confident | 60.7 | Low | 97 Ų | 97 | 149.2 Ų | 149.2 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 129.9 | 175.1 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | K96 | S94-K96 PolarHBondContact O-N 3.38Š|
| 95 | M | 68 | Low | 60.4 | Low | 189 Ų | 189 | 148.8 Ų | 148.8 | 93% | 0.931 | 78% | 0.776 | S | S | * | * | | | trans | -73.1 | 66.4 | 175.1 | -66.6 | -121.3 | -46 | 0 | 0 | 112.3 | | |
| 96 | K | 63.1 | Low | 60.2 | Low | 183 Ų | 183 | 146.7 Ų | 146.7 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | | | trans | -105.5 | 73.2 | 168 | -67.3 | -166.8 | -175.3 | -174.2 | 0 | 110.2 | S94 K98 | S94-K96 PolarHBondContact O-N 3.38Å; K96-K98 PolarHBondContact O-N 3.04Å |
| 97 | G | 53.8 | Low | 59.8 | Low | 72 Ų | 72 | 147 Ų | 147 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | -74.2 | 114.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | L99 | G97-L99 PolarHBondContact O-N 3.12Š|
| 98 | K | 52.7 | Low | 59.3 | Low | 196 Ų | 196 | 147.1 Ų | 147.1 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | | | trans | -74.5 | 101.8 | 170 | -61 | -178.1 | -176.6 | -173.7 | 0 | 107.7 | K96 E100 | K96-K98 PolarHBondContact O-N 3.04Å; K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 PolarHBondContact O-N 3.06Å |
| 99 | L | 53.2 | Low | 58.8 | Low | 167 Ų | 167 | 150.7 Ų | 150.7 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -82.4 | 78.2 | 161 | -82.5 | 159.8 | 0 | 0 | 0 | 107.5 | G97 R101 | G97-L99 PolarHBondContact O-N 3.12Å; L99-R101 PolarHBondContact O-N 3.12Å |
| 100 | E | 46.4 | Very low | 57.4 | Low | 164 Ų | 164 | 153.6 Ų | 153.6 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | trans | -88.6 | 90.9 | 160.6 | -79.4 | -79.4 | 157.2 | 0 | 0 | 106.2 | K98 | K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 PolarHBondContact O-N 3.06Å |
| 101 | R | 54.1 | Low | 56.3 | Low | 225 Ų | 225 | 148.7 Ų | 148.7 | 85% | 0.849 | 78% | 0.783 | S | S | * | * | | | trans | -123.8 | 93.8 | 163.9 | -178.6 | 180 | -178 | 156.9 | 1.7 | 107.1 | L99 | L99-R101 PolarHBondContact O-N 3.12Š|
| 102 | T | 41.5 | Very low | 54.9 | Low | 114 Ų | 114 | 148.8 Ų | 148.8 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -134.1 | 87.6 | 163.1 | 49.4 | 0 | 0 | 0 | 0 | 105.5 | | |
| 103 | V | 46.5 | Very low | 53.4 | Low | 115 Ų | 115 | 153.1 Ų | 153.1 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | | | | 55.7 | 113.2 | 113.6 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | E105 | V103-E105 PolarHBondContact O-N 3.37Š|
| 104 | P | 47.2 | Very low | 52.2 | Low | 116 Ų | 116 | 157.5 Ų | 157.5 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -69.2 | 124.7 | 167.9 | 28.1 | -29.3 | 0 | 0 | 0 | 109.2 | E106 | P104-E106 PolarHBondContact O-N 2.85Š|
| 105 | E | 51.4 | Low | 50.8 | Low | 178 Ų | 178 | 159.9 Ų | 159.9 | 83% | 0.832 | 84% | 0.842 | S | S | * | * | | | trans | -70.9 | 121.6 | 166.6 | -73.9 | -179 | 159.1 | 0 | 0 | 108.1 | V103 E107 | V103-E105 PolarHBondContact O-N 3.37Å; E105-E107 PolarHBondContact O-N 3.49Å |
| 106 | E | 50.3 | Low | 49.9 | Very low | 185 Ų | 185 | 158.5 Ų | 158.5 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | | | trans | -77.2 | 109.6 | 166.8 | -54.8 | -169.1 | -176.2 | 0 | 0 | 106.3 | P104 E108 | P104-E106 PolarHBondContact O-N 2.85Å; E106-E108 PolarHBondContact O-N 3.36Å |
| 107 | E | 51.9 | Low | 49.3 | Very low | 188 Ų | 188 | 157.2 Ų | 157.2 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | | | trans | -76.5 | 103.6 | 170.3 | -73.8 | -175.1 | 165.9 | 0 | 0 | 108.2 | E105 | E105-E107 PolarHBondContact O-N 3.49Š|
| 108 | E | 49.3 | Very low | 49 | Very low | 190 Ų | 190 | 161.9 Ų | 161.9 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | | | trans | -65 | 129.8 | 163.9 | -89.2 | -175.4 | 156.2 | 0 | 0 | 110.1 | E106 | E106-E108 PolarHBondContact O-N 3.36Š|
| 109 | E | 48.6 | Very low | 48.8 | Very low | 191 Ų | 191 | 159.9 Ų | 159.9 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | | | trans | -49.4 | 130 | 159 | -97.7 | -179.7 | 146.3 | 0 | 0 | 111.3 | | |
| 110 | E | 45.8 | Very low | 48.5 | Very low | 185 Ų | 185 | 159.4 Ų | 159.4 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | | | | -168.9 | 135.5 | 122.8 | -125.4 | -166.1 | 126.3 | 0 | 0 | 114.6 | | |
| 111 | S | 48.1 | Very low | 48.6 | Very low | 83 Ų | 83 | 159.1 Ų | 159.1 | 58% | 0.58 | 85% | 0.847 | S | S | * | * | | | | 75.3 | 105.3 | 128.7 | -175.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 112 | S | 48.9 | Very low | 48.3 | Very low | 87 Ų | 87 | 154.4 Ų | 154.4 | 61% | 0.608 | 85% | 0.847 | S | S | * | * | | | trans | 54.4 | 138.1 | 141.7 | 72.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 113 | H | 48.6 | Very low | 48.8 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 83% | 0.829 | 86% | 0.859 | S | S | * | * | | | | -164.5 | 136.4 | 85 | -85.5 | 74.2 | 0 | 0 | 0 | 110.1 | | |
| 114 | Q | 53.3 | Low | 49 | Very low | 203 Ų | 203 | 161.1 Ų | 161.1 | 95% | 0.949 | 87% | 0.872 | S | S | * | * | | | trans | -67.9 | 147.3 | 171.7 | -173 | 171.6 | 51.6 | 0 | 0 | 111.3 | | |
| 115 | G | 44 | Very low | 49.1 | Very low | 148 Ų | 148 | 165.2 Ų | 165.2 | 100% | 1.526 | 88% | 0.883 | S | S | * | * | | | trans | -171.4 | 0 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |