| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 66.6 | Low | 70.2 | Confident | 239 Ų | 239 | 161.6 Ų | 161.6 | 100% | 1.177 | 87% | 0.868 | S | S | * | * | 0 | 89.5 | 0 | -65.7 | -172 | 169 | 0 | 0 | 108.3 | |||||
| 2 | H | 67 | Low | 69.3 | Low | 197 Ų | 197 | 169.8 Ų | 169.8 | 91% | 0.912 | 88% | 0.878 | S | S | * | * | trans | -110.1 | 102.3 | 178.5 | -79 | 101 | 0 | 0 | 0 | 108.3 | ||||
| 3 | G | 66.4 | Low | 68.5 | Low | 76 Ų | 76 | 161.6 Ų | 161.6 | 78% | 0.784 | 86% | 0.86 | S | S | * | * | trans | -80.1 | 119.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R5 | G3-R5 PolarHBondContact O-N 3.41Š| ||
| 4 | Q | 69.9 | Low | 68.1 | Low | 199 Ų | 199 | 164.4 Ų | 164.4 | 93% | 0.93 | 87% | 0.866 | S | S | * | * | trans | -73.3 | 114.8 | 168.9 | -62.8 | -162.7 | 66.2 | 0 | 0 | 109 | G6 | Q4-G6 PolarHBondContact O-N 3.45Š| ||
| 5 | R | 66.3 | Low | 67.8 | Low | 242 Ų | 242 | 157.9 Ų | 157.9 | 91% | 0.913 | 86% | 0.855 | S | S | * | * | trans | -81.8 | 110.2 | 169.3 | -77.7 | -176 | 172.7 | -123.9 | 0.4 | 108.6 | G3 | G3-R5 PolarHBondContact O-N 3.41Š| ||
| 6 | G | 68.8 | Low | 67.9 | Low | 73 Ų | 73 | 155.5 Ų | 155.5 | 75% | 0.753 | 85% | 0.849 | S | S | * | * | trans | -64.4 | 134.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q4 | Q4-G6 PolarHBondContact O-N 3.45Š| ||
| 7 | V | 75.3 | Confident | 67.4 | Low | 142 Ų | 142 | 157.1 Ų | 157.1 | 86% | 0.861 | 85% | 0.846 | S | S | * | * | trans | -90.6 | 109.9 | 170 | 179.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 8 | V | 76.9 | Confident | 67.2 | Low | 126 Ų | 126 | 155.7 Ų | 155.7 | 76% | 0.764 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -81 | 126 | 173.6 | 177 | 0 | 0 | 0 | 0 | 108.3 | ||
| 9 | P | 75.4 | Confident | 66.5 | Low | 103 Ų | 103 | 156 Ų | 156 | 67% | 0.669 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 143 | 171.5 | 29.6 | -32.2 | 0 | 0 | 0 | 110.6 | ||
| 10 | P | 72.5 | Confident | 65.7 | Low | 130 Ų | 130 | 153.4 Ų | 153.4 | 84% | 0.844 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 141.6 | 178.4 | 27.3 | -32.8 | 0 | 0 | 0 | 111.6 | R12 | P10-R12 PolarHBondContact O-N 3.04Š|
| 11 | R | 66.9 | Low | 65.2 | Low | 251 Ų | 251 | 150.9 Ų | 150.9 | 95% | 0.947 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 127.2 | 178.2 | -71.5 | -161.2 | 172 | -150.5 | 0.6 | 111.1 | G13 | R11-G13 PolarHBondContact O-N 3.47Š|
| 12 | R | 59.6 | Low | 64.4 | Low | 260 Ų | 260 | 144.6 Ų | 144.6 | 98% | 0.981 | 83% | 0.825 | S | S | * | * | trans | -69.3 | 114.9 | 160.4 | -101.8 | -178.3 | 177.4 | -146.2 | 0.3 | 108.4 | P10 | P10-R12 PolarHBondContact O-N 3.04Š| ||
| 13 | G | 59 | Low | 63.6 | Low | 63 Ų | 63 | 138.4 Ų | 138.4 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | trans | -170.2 | 141.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R11 | R11-G13 PolarHBondContact O-N 3.47Š| ||
| 14 | E | 63.2 | Low | 62.9 | Low | 200 Ų | 200 | 142.7 Ų | 142.7 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | trans | 86.4 | 86.8 | 175.2 | -50.6 | -165.9 | 129.7 | 0 | 0 | 115.4 | ||||
| 15 | G | 63.6 | Low | 61.6 | Low | 68 Ų | 68 | 137.4 Ų | 137.4 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -72.4 | 152.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111 | K17 | G15-K17 PolarHBondContact O-N 3Š| ||
| 16 | P | 68.6 | Low | 60.6 | Low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -73.2 | 112.3 | 177.8 | 28.8 | -32.1 | 0 | 0 | 0 | 110.4 | V18 | P16-V18 PolarHBondContact O-N 3.42Å; P16-V18 VanDerWaalsContact O-N 3.13Å | ||
| 17 | K | 60.1 | Low | 59.9 | Low | 182 Ų | 182 | 139.3 Ų | 139.3 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -69.4 | 95.9 | 160.7 | -172.8 | -175.2 | -179.8 | -159 | 0 | 107.2 | G15 E19 | G15-K17 PolarHBondContact O-N 3Å; K17-E19 PolarHBondContact O-N 3.25Å; K17-E19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | V | 64.7 | Low | 58.7 | Low | 133 Ų | 133 | 135.1 Ų | 135.1 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -76.6 | 96.5 | 173.7 | -76.9 | 0 | 0 | 0 | 0 | 109.1 | P16 | P16-V18 PolarHBondContact O-N 3.42Å; P16-V18 VanDerWaalsContact O-N 3.13Å | ||
| 19 | E | 53.7 | Low | 57.8 | Low | 161 Ų | 161 | 136.9 Ų | 136.9 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -74.5 | 122.8 | 172.5 | -165.7 | 158.6 | 117.6 | 0 | 0 | 109.1 | K17 A21 | K17-E19 PolarHBondContact O-N 3.25Å; K17-E19 VanDerWaalsContact O-N 3.12Å; E19-A21 PolarHBondContact O-N 3.46Å; E19-A21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | A | 49.6 | Very low | 56.8 | Low | 103 Ų | 103 | 137.7 Ų | 137.7 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -69.4 | 104.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 21 | A | 55.6 | Low | 56.1 | Low | 101 Ų | 101 | 139.8 Ų | 139.8 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -91.5 | 110.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | E19 | E19-A21 PolarHBondContact O-N 3.46Å; E19-A21 VanDerWaalsContact O-N 3.15Å | ||
| 22 | A | 49.4 | Very low | 55.9 | Low | 107 Ų | 107 | 131 Ų | 131 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | trans | -65.4 | 140.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 23 | G | 50 | Low | 56 | Low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 130.8 | 93.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 24 | N | 51.9 | Low | 56.1 | Low | 165 Ų | 165 | 122.4 Ų | 122.4 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | 164.7 | 91.6 | 122 | -95.9 | 23.2 | 0 | 0 | 0 | 111.6 | F26 | N24-F26 VanDerWaalsContact C-N 3.34Å; N24-F26 PolarHBondContact O-N 2.78Å | |||
| 25 | G | 42.1 | Very low | 56.1 | Low | 89 Ų | 89 | 121.4 Ų | 121.4 | 92% | 0.918 | 75% | 0.75 | S | S | * | * | 52.2 | 15.7 | 114.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 26 | F | 46.9 | Very low | 56.5 | Low | 193 Ų | 193 | 120.4 Ų | 120.4 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | trans | -90 | 129.6 | 170.1 | -161.3 | -108.9 | 0 | 0 | 0 | 110.1 | N24 G28 | N24-F26 VanDerWaalsContact C-N 3.34Å; N24-F26 PolarHBondContact O-N 2.78Å; F26-G28 PolarHBondContact O-N 3.45Å | ||
| 27 | L | 53.2 | Low | 56.7 | Low | 161 Ų | 161 | 120 Ų | 120 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | -57.6 | 74.7 | 176.7 | -101.8 | 69.3 | 0 | 0 | 0 | 111 | H29 | L27-H29 PolarHBondContact O-N 3.2Š| ||
| 28 | G | 50.1 | Low | 57.6 | Low | 54 Ų | 54 | 118.8 Ų | 118.8 | 56% | 0.557 | 72% | 0.718 | S | S | * | * | trans | -80.5 | 117.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | F26 S30 | F26-G28 PolarHBondContact O-N 3.45Å; G28-S30 PolarHBondContact O-N 3.13Å; G28-S30 VanDerWaalsContact O-N 3.09Å | ||
| 29 | H | 59 | Low | 58.2 | Low | 163 Ų | 163 | 115.9 Ų | 115.9 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | -52.5 | 120.2 | 166 | -65.3 | 24.2 | 0 | 0 | 0 | 106.8 | L27 Y31 | L27-H29 PolarHBondContact O-N 3.2Å; H29-Y31 PolarHBondContact O-N 3.12Å | ||
| 30 | S | 54.3 | Low | 59.6 | Low | 121 Ų | 121 | 112.5 Ų | 112.5 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | trans | -61.7 | 91.5 | 178.8 | -54.5 | 0 | 0 | 0 | 0 | 108.7 | G28 S32 | G28-S30 PolarHBondContact O-N 3.13Å; G28-S30 VanDerWaalsContact O-N 3.09Å; S30-S32 VanDerWaalsContact C-N 3.31Å; S30-S32 PolarHBondContact O-N 3.38Å | ||
| 31 | Y | 56.2 | Low | 61.1 | Low | 173 Ų | 173 | 110.2 Ų | 110.2 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | trans | -63.7 | 96.6 | 168.3 | -93.9 | -93.9 | 0 | 0 | 0 | 106.5 | H29 A33 | H29-Y31 PolarHBondContact O-N 3.12Å; Y31-A33 PolarHBondContact O-N 3.32Å | ||
| 32 | S | 63.6 | Low | 62.3 | Low | 66 Ų | 66 | 108.7 Ų | 108.7 | 46% | 0.462 | 65% | 0.649 | S | S | . | * | trans | -56.7 | 135.6 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | S30 A34 R35 A36 | S30-S32 VanDerWaalsContact C-N 3.31Å; S30-S32 PolarHBondContact O-N 3.38Å; S32-A34 PolarHBondContact O-N 3.08Å; S32-A34 VanDerWaalsContact O-N 3.09Å; S32-R35 WeakPolarHBondContact O-CA 3.27Å; S32-R35 WeakPolarHBondContact O-CB 3.36Å; S32-R35 PolarHBondContact O-N 3.05Å; S32-A36 PolarHBondContact O-N 2.85Å; S32-A36 VanDerWaalsContact O-N 3.15Å | ||
| 33 | A | 61.3 | Low | 63.8 | Low | 71 Ų | 71 | 110.1 Ų | 110.1 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -51.2 | -36.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y31 R35 A36 D37 | Y31-A33 PolarHBondContact O-N 3.32Å; A33-R35 VanDerWaalsContact C-N 3.28Å; A33-R35 PolarHBondContact O-N 2.95Å; A33-A36 PolarHBondContact O-N 2.99Å; A33-A36 VanDerWaalsContact O-N 3.14Å; A33-D37 PolarHBondContact O-N 3.15Å |
| 34 | A | 60.7 | Low | 65.4 | Low | 72 Ų | 72 | 109.4 Ų | 109.4 | 60% | 0.595 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.1 | -29.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S32 Y38 | S32-A34 PolarHBondContact O-N 3.08Å; S32-A34 VanDerWaalsContact O-N 3.09Å; A34-Y38 WeakPolarHBondContact O-CB 3.14Å; A34-Y38 PolarHBondContact O-N 3.01Å |
| 35 | R | 64.4 | Low | 66.9 | Low | 180 Ų | 180 | 104 Ų | 104 | 68% | 0.679 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -77.5 | -35.5 | 173.3 | -100.1 | 177.6 | 160.7 | 139.7 | -4.1 | 111.7 | S32 A33 Y38 D39 | S32-R35 WeakPolarHBondContact O-CA 3.27Å; S32-R35 WeakPolarHBondContact O-CB 3.36Å; S32-R35 PolarHBondContact O-N 3.05Å; A33-R35 VanDerWaalsContact C-N 3.28Å; A33-R35 PolarHBondContact O-N 2.95Å; R35-Y38 PolarHBondContact O-N 3.2Å; R35-D39 WeakPolarHBondContact O-CB 3.49Å; R35-D39 PolarHBondContact O-N 2.81Å |
| 36 | A | 71.6 | Confident | 68.8 | Low | 47 Ų | 47 | 102.2 Ų | 102.2 | 39% | 0.388 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.9 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S32 A33 Y38 D39 V40 | S32-A36 PolarHBondContact O-N 2.85Å; S32-A36 VanDerWaalsContact O-N 3.15Å; A33-A36 PolarHBondContact O-N 2.99Å; A33-A36 VanDerWaalsContact O-N 3.14Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 2.97Å; A36-D39 PolarHBondContact O-N 3.24Å; A36-V40 WeakPolarHBondContact O-CG1 3.37Å; A36-V40 PolarHBondContact O-N 2.97Å |
| 37 | D | 72.2 | Confident | 70.6 | Confident | 111 Ų | 111 | 98.5 Ų | 98.5 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.3 | -35.6 | 175.8 | -68.8 | -36 | 0 | 0 | 0 | 112 | A33 V40 A41 | A33-D37 PolarHBondContact O-N 3.15Å; D37-V40 WeakPolarHBondContact O-CG1 3.32Å; D37-A41 WeakPolarHBondContact O-CB 2.91Å; D37-A41 PolarHBondContact O-N 2.86Å |
| 38 | Y | 79.1 | Confident | 71.9 | Confident | 156 Ų | 156 | 94.8 Ų | 94.8 | 61% | 0.612 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.8 | -47.1 | 174.5 | -172.6 | -96.4 | 0 | 0 | 0 | 111.9 | A34 R35 A36 V40 A41 V42 | A34-Y38 WeakPolarHBondContact O-CB 3.14Å; A34-Y38 PolarHBondContact O-N 3.01Å; R35-Y38 PolarHBondContact O-N 3.2Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 2.97Å; Y38-V40 VanDerWaalsContact C-N 3.34Å; Y38-V40 PolarHBondContact O-N 2.85Å; Y38-A41 WeakPolarHBondContact O-CB 2.99Å; Y38-A41 PolarHBondContact O-N 3.19Å; Y38-A41 VanDerWaalsContact O-N 3.13Å; Y38-V42 HydrophobicContact CD1-CG2 3.9Å; Y38-V42 HydrophobicContact CE1-CG2 3.55Å; Y38-V42 WeakPolarHBondContact O-CG2 3.23Å; Y38-V42 PolarHBondContact O-N 2.76Å |
| 39 | D | 77.1 | Confident | 72.9 | Confident | 72 Ų | 72 | 99.1 Ų | 99.1 | 39% | 0.385 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.3 | -41.2 | 179.1 | -77.8 | -20.1 | 0 | 0 | 0 | 111.5 | R35 A36 A41 V42 M43 | R35-D39 WeakPolarHBondContact O-CB 3.49Å; R35-D39 PolarHBondContact O-N 2.81Å; A36-D39 PolarHBondContact O-N 3.24Å; D39-A41 VanDerWaalsContact C-N 3.34Å; D39-A41 PolarHBondContact O-N 3.43Å; D39-V42 PolarHBondContact O-N 2.75Å; D39-M43 WeakPolarHBondContact O-CB 3.49Å; D39-M43 WeakPolarHBondContact O-CG 3.38Å; D39-M43 PolarHBondContact O-N 3.3Å |
| 40 | V | 82.4 | Confident | 73.6 | Confident | 90 Ų | 90 | 96 Ų | 96 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.4 | -36.3 | 175.4 | 71.5 | 0 | 0 | 0 | 0 | 111.9 | A36 D37 Y38 M43 A44 | A36-V40 WeakPolarHBondContact O-CG1 3.37Å; A36-V40 PolarHBondContact O-N 2.97Å; D37-V40 WeakPolarHBondContact O-CG1 3.32Å; Y38-V40 VanDerWaalsContact C-N 3.34Å; Y38-V40 PolarHBondContact O-N 2.85Å; V40-M43 PolarHBondContact O-N 3.47Å; V40-A44 VanDerWaalsContact O-CB 3.27Å; V40-A44 WeakPolarHBondContact O-CB 3.39Å; V40-A44 PolarHBondContact O-N 2.78Å |
| 41 | A | 81.3 | Confident | 74.6 | Confident | 54 Ų | 54 | 94.3 Ų | 94.3 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D37 Y38 D39 A44 A45 | D37-A41 WeakPolarHBondContact O-CB 2.91Å; D37-A41 PolarHBondContact O-N 2.86Å; Y38-A41 WeakPolarHBondContact O-CB 2.99Å; Y38-A41 PolarHBondContact O-N 3.19Å; Y38-A41 VanDerWaalsContact O-N 3.13Å; D39-A41 VanDerWaalsContact C-N 3.34Å; D39-A41 PolarHBondContact O-N 3.43Å; A41-A44 PolarHBondContact O-N 3.13Å; A41-A45 WeakPolarHBondContact O-CB 3.29Å; A41-A45 PolarHBondContact O-N 2.87Å |
| 42 | V | 81.3 | Confident | 75 | Confident | 69 Ų | 69 | 89.9 Ų | 89.9 | 42% | 0.418 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | Y38 D39 A44 A45 A46 | Y38-V42 HydrophobicContact CD1-CG2 3.9Å; Y38-V42 HydrophobicContact CE1-CG2 3.55Å; Y38-V42 WeakPolarHBondContact O-CG2 3.23Å; Y38-V42 PolarHBondContact O-N 2.76Å; D39-V42 PolarHBondContact O-N 2.75Å; V42-A44 PolarHBondContact O-N 3.1Å; V42-A45 PolarHBondContact O-N 2.98Å; V42-A46 WeakPolarHBondContact O-CB 3.07Å; V42-A46 PolarHBondContact O-N 3.25Å |
| 43 | M | 81.3 | Confident | 74.7 | Confident | 138 Ų | 138 | 90.8 Ų | 90.8 | 68% | 0.68 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.5 | -41.6 | 175.7 | -70.6 | -66.4 | -132.8 | 0 | 0 | 111.9 | D39 V40 L47 | D39-M43 WeakPolarHBondContact O-CB 3.49Å; D39-M43 WeakPolarHBondContact O-CG 3.38Å; D39-M43 PolarHBondContact O-N 3.3Å; V40-M43 PolarHBondContact O-N 3.47Å; M43-L47 WeakPolarHBondContact O-CB 3.16Å; M43-L47 PolarHBondContact O-N 2.85Å |
| 44 | A | 84.1 | Confident | 74.2 | Confident | 53 Ų | 53 | 92.1 Ų | 92.1 | 44% | 0.438 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V40 A41 V42 T48 | V40-A44 VanDerWaalsContact O-CB 3.27Å; V40-A44 WeakPolarHBondContact O-CB 3.39Å; V40-A44 PolarHBondContact O-N 2.78Å; A41-A44 PolarHBondContact O-N 3.13Å; V42-A44 PolarHBondContact O-N 3.1Å; A44-T48 WeakPolarHBondContact O-CB 3.29Å; A44-T48 PolarHBondContact O-N 3.21Å; A44-T48 PolarHBondContact O-OG1 2.7Å |
| 45 | A | 82.5 | Confident | 73.5 | Confident | 51 Ų | 51 | 96.9 Ų | 96.9 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | A41 V42 L47 T48 H49 | A41-A45 WeakPolarHBondContact O-CB 3.29Å; A41-A45 PolarHBondContact O-N 2.87Å; V42-A45 PolarHBondContact O-N 2.98Å; A45-L47 VanDerWaalsContact C-N 3.35Å; A45-L47 PolarHBondContact O-N 2.87Å; A45-T48 PolarHBondContact O-N 2.89Å; A45-H49 PolarHBondContact O-CD2 3.42Å; A45-H49 PolarHBondContact O-N 3.22Å |
| 46 | A | 81.7 | Confident | 73.4 | Confident | 52 Ų | 52 | 92.8 Ų | 92.8 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V42 H49 V50 | V42-A46 WeakPolarHBondContact O-CB 3.07Å; V42-A46 PolarHBondContact O-N 3.25Å; A46-H49 PolarHBondContact O-N 2.93Å; A46-V50 WeakPolarHBondContact O-CG2 3.48Å; A46-V50 PolarHBondContact O-N 2.91Å; A46-V50 VanDerWaalsContact O-N 3.07Å |
| 47 | L | 85.4 | Confident | 73 | Confident | 115 Ų | 115 | 96 Ų | 96 | 60% | 0.602 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.2 | -36.8 | 179.4 | -148.7 | 153.3 | 0 | 0 | 0 | 111.6 | M43 A45 V50 V51 | M43-L47 WeakPolarHBondContact O-CB 3.16Å; M43-L47 PolarHBondContact O-N 2.85Å; A45-L47 VanDerWaalsContact C-N 3.35Å; A45-L47 PolarHBondContact O-N 2.87Å; L47-V50 PolarHBondContact O-N 2.91Å; L47-V51 HydrophobicContact CD2-CG2 3.85Å; L47-V51 VanDerWaalsContact O-CG2 3.28Å; L47-V51 WeakPolarHBondContact O-CG2 3.18Å; L47-V51 PolarHBondContact O-N 2.86Å |
| 48 | T | 81.2 | Confident | 72.5 | Confident | 83 Ų | 83 | 96.1 Ų | 96.1 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.6 | -44.6 | 172.6 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | A44 A45 V50 V51 C52 | A44-T48 WeakPolarHBondContact O-CB 3.29Å; A44-T48 PolarHBondContact O-N 3.21Å; A44-T48 PolarHBondContact O-OG1 2.7Å; A45-T48 PolarHBondContact O-N 2.89Å; T48-V50 VanDerWaalsContact C-N 3.34Å; T48-V50 PolarHBondContact O-N 2.88Å; T48-V51 PolarHBondContact O-N 2.85Å; T48-C52 WeakPolarHBondContact O-CB 3.24Å; T48-C52 PolarHBondContact O-N 2.92Å; T48-C52 PolarHBondContact O-SG 3.17Å; T48-C52 VanDerWaalsContact O-SG 3.35Å |
| 49 | H | 70.3 | Confident | 71.4 | Confident | 144 Ų | 144 | 94.9 Ų | 94.9 | 67% | 0.667 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.4 | -37.6 | 176.7 | -84.4 | -55.7 | 0 | 0 | 0 | 112.8 | A45 A46 A53 | A45-H49 PolarHBondContact O-CD2 3.42Å; A45-H49 PolarHBondContact O-N 3.22Å; A46-H49 PolarHBondContact O-N 2.93Å; H49-A53 WeakPolarHBondContact O-CB 3.21Å; H49-A53 PolarHBondContact O-N 2.95Å |
| 50 | V | 73.5 | Confident | 70.2 | Confident | 98 Ų | 98 | 103.2 Ų | 103.2 | 59% | 0.594 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.9 | -43.3 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | A46 L47 T48 A53 T54 | A46-V50 WeakPolarHBondContact O-CG2 3.48Å; A46-V50 PolarHBondContact O-N 2.91Å; A46-V50 VanDerWaalsContact O-N 3.07Å; L47-V50 PolarHBondContact O-N 2.91Å; T48-V50 VanDerWaalsContact C-N 3.34Å; T48-V50 PolarHBondContact O-N 2.88Å; V50-A53 PolarHBondContact O-N 2.97Å; V50-T54 WeakPolarHBondContact O-CG2 3.42Å; V50-T54 PolarHBondContact O-N 3.13Å |
| 51 | V | 75.3 | Confident | 68.2 | Low | 85 Ų | 85 | 102.5 Ų | 102.5 | 52% | 0.515 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.1 | -43 | 179.7 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | L47 T48 T54 | L47-V51 HydrophobicContact CD2-CG2 3.85Å; L47-V51 VanDerWaalsContact O-CG2 3.28Å; L47-V51 WeakPolarHBondContact O-CG2 3.18Å; L47-V51 PolarHBondContact O-N 2.86Å; T48-V51 PolarHBondContact O-N 2.85Å; V51-T54 PolarHBondContact O-N 3.3Å; V51-T54 PolarHBondContact O-OG1 3.49Å |
| 52 | C | 63.7 | Low | 66.4 | Low | 80 Ų | 80 | 103.8 Ų | 103.8 | 54% | 0.541 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -71.4 | -27.1 | 177.3 | -67.9 | 0 | 0 | 0 | 0 | 113.4 | T48 T54 | T48-C52 WeakPolarHBondContact O-CB 3.24Å; T48-C52 PolarHBondContact O-N 2.92Å; T48-C52 PolarHBondContact O-SG 3.17Å; T48-C52 VanDerWaalsContact O-SG 3.35Å; C52-T54 PolarHBondContact O-N 3.33Å |
| 53 | A | 59.2 | Low | 64.7 | Low | 86 Ų | 86 | 109.6 Ų | 109.6 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -9.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H49 V50 | H49-A53 WeakPolarHBondContact O-CB 3.21Å; H49-A53 PolarHBondContact O-N 2.95Å; V50-A53 PolarHBondContact O-N 2.97Å |
| 54 | T | 49.4 | Very low | 63 | Low | 98 Ų | 98 | 107.5 Ų | 107.5 | 60% | 0.601 | 67% | 0.666 | S | S | * | * | trans | -107.9 | 52.8 | 176 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | V50 V51 C52 P56 | V50-T54 WeakPolarHBondContact O-CG2 3.42Å; V50-T54 PolarHBondContact O-N 3.13Å; V51-T54 PolarHBondContact O-N 3.3Å; V51-T54 PolarHBondContact O-OG1 3.49Å; C52-T54 PolarHBondContact O-N 3.33Å; T54-P56 WeakPolarHBondContact O-CD 3.41Å | ||
| 55 | E | 46.8 | Very low | 61.5 | Low | 172 Ų | 172 | 109.7 Ų | 109.7 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | trans | -79.3 | 110.5 | 164.4 | -75.1 | -163.5 | 96.5 | 0 | 0 | 109.6 | ||||
| 56 | P | 61.3 | Low | 59.8 | Low | 94 Ų | 94 | 112.2 Ų | 112.2 | 61% | 0.61 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 138.7 | 171.2 | 29.3 | -33.4 | 0 | 0 | 0 | 109.2 | T54 | T54-P56 WeakPolarHBondContact O-CD 3.41Š|
| 57 | P | 63 | Low | 58.2 | Low | 116 Ų | 116 | 117.8 Ų | 117.8 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 140.3 | 178.1 | 25.3 | -34 | 0 | 0 | 0 | 110.3 | ||
| 58 | P | 62.4 | Low | 57 | Low | 112 Ų | 112 | 118.1 Ų | 118.1 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 136.5 | -177.4 | 25.5 | -33.9 | 0 | 0 | 0 | 110.8 | R60 | P58-R60 PolarHBondContact O-N 3.01Š|
| 59 | P | 56.2 | Low | 55.5 | Low | 131 Ų | 131 | 120.3 Ų | 120.3 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | -68.2 | 109.8 | 175.2 | 26.9 | -31.5 | 0 | 0 | 0 | 109.2 | G61 | P59-G61 PolarHBondContact O-N 2.92Š| ||
| 60 | R | 52 | Low | 54.4 | Low | 246 Ų | 246 | 117.1 Ų | 117.1 | 93% | 0.928 | 76% | 0.757 | S | S | * | * | trans | -58.3 | 122 | 166.1 | -73.5 | -178.5 | -177.8 | -179.8 | 0.7 | 109 | P58 | P58-R60 PolarHBondContact O-N 3.01Š| ||
| 61 | G | 40.8 | Very low | 53.2 | Low | 75 Ų | 75 | 118.3 Ų | 118.3 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 64.7 | 96.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | P59 | P59-G61 PolarHBondContact O-N 2.92Š|
| 62 | G | 42.7 | Very low | 51.6 | Low | 81 Ų | 81 | 125.9 Ų | 125.9 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 22.9 | 116.5 | 140.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 63 | E | 46.2 | Very low | 50.9 | Low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | -173.4 | 95 | 126.5 | -160.2 | 172.4 | 110 | 0 | 0 | 107.2 | |||||
| 64 | A | 44.6 | Very low | 49.8 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | 57.3 | 114.7 | 106.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 65 | A | 52.2 | Low | 49 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | 142.9 | 99.6 | 131.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 66 | A | 46.9 | Very low | 48.4 | Very low | 104 Ų | 104 | 125 Ų | 125 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | 55.3 | 123.3 | 127.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 67 | L | 49.4 | Very low | 47.5 | Very low | 170 Ų | 170 | 125 Ų | 125 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -67.7 | 169.3 | 166.6 | -61.8 | 158.2 | 0 | 0 | 0 | 112.7 | ||||
| 68 | P | 59 | Low | 46.9 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | -147.2 | 176.3 | 82.5 | 31.7 | -8.4 | 0 | 0 | 0 | 116.3 | |||||
| 69 | P | 50.2 | Low | 46.3 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -101.9 | 156.1 | -162.1 | 37.9 | -31.5 | 0 | 0 | 0 | 117 | ||||
| 70 | G | 47.7 | Very low | 45.7 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | 93.1 | 158.5 | 159 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 71 | P | 48.8 | Very low | 45.4 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | cis | -135.2 | 175.2 | 25.5 | 39.1 | -19.7 | 0 | 0 | 0 | 116.8 | ||||
| 72 | R | 40.9 | Very low | 45.7 | Very low | 243 Ų | 243 | 122.7 Ų | 122.7 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -67.4 | 130.4 | 171.7 | -62.4 | 168.3 | 160.7 | -172.8 | -6.5 | 111.7 | ||||
| 73 | Q | 48.4 | Very low | 46 | Very low | 188 Ų | 188 | 123.2 Ų | 123.2 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -155.7 | 125.7 | 155.1 | -94.3 | 169.1 | 50.1 | 0 | 0 | 105.7 | ||||
| 74 | G | 36.5 | Very low | 46.1 | Very low | 76 Ų | 76 | 118.9 Ų | 118.9 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | 99.3 | 118.1 | 50.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 75 | G | 33.6 | Very low | 46.5 | Very low | 85 Ų | 85 | 119.4 Ų | 119.4 | 88% | 0.876 | 76% | 0.762 | S | S | * | * | trans | -67.8 | 168.3 | -161.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 76 | G | 34.5 | Very low | 46.6 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 94.2 | 100.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 77 | T | 42.3 | Very low | 47.3 | Very low | 95 Ų | 95 | 121.9 Ų | 121.9 | 58% | 0.583 | 75% | 0.753 | S | S | * | * | 161.1 | 106.7 | 127.6 | 46.4 | 0 | 0 | 0 | 0 | 109 | E79 | T77-E79 PolarHBondContact O-N 3.3Š| |||
| 78 | T | 49.1 | Very low | 48.9 | Very low | 152 Ų | 152 | 116.6 Ų | 116.6 | 93% | 0.933 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 7.7 | -172.7 | -13.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 79 | E | 50 | Low | 50.2 | Low | 165 Ų | 165 | 114.1 Ų | 114.1 | 77% | 0.771 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.7 | -37.9 | -165.7 | -141.5 | 167 | 143.2 | 0 | 0 | 112.8 | T77 Q81 A82 | T77-E79 PolarHBondContact O-N 3.3Å; E79-Q81 PolarHBondContact O-N 2.94Å; E79-A82 VanDerWaalsContact O-CB 3.27Å; E79-A82 WeakPolarHBondContact O-CB 3.34Å; E79-A82 PolarHBondContact O-N 3.34Å |
| 80 | L | 44.5 | Very low | 52.1 | Low | 139 Ų | 139 | 112.5 Ų | 112.5 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -23.5 | 177.8 | -74.3 | 170.2 | 0 | 0 | 0 | 113.4 | A82 | L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 3.14Å |
| 81 | Q | 45.3 | Very low | 54 | Low | 108 Ų | 108 | 110 Ų | 110 | 51% | 0.505 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.8 | -15.4 | 173.1 | -106.6 | -176 | 93 | 0 | 0 | 113 | E79 A83 R85 | E79-Q81 PolarHBondContact O-N 2.94Å; Q81-A83 VanDerWaalsContact C-N 3.34Å; Q81-A83 PolarHBondContact O-N 3.04Å; Q81-R85 WeakPolarHBondContact O-CB 3.19Å; Q81-R85 WeakPolarHBondContact O-CD 3.37Å; Q81-R85 WeakPolarHBondContact O-CG 3.4Å |
| 82 | A | 47.7 | Very low | 56.1 | Low | 68 Ų | 68 | 104.6 Ų | 104.6 | 56% | 0.562 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -30.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E79 L80 | E79-A82 VanDerWaalsContact O-CB 3.27Å; E79-A82 WeakPolarHBondContact O-CB 3.34Å; E79-A82 PolarHBondContact O-N 3.34Å; L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 3.14Å |
| 83 | A | 47.6 | Very low | 58.5 | Low | 92 Ų | 92 | 98.1 Ų | 98.1 | 76% | 0.76 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -32.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q81 R85 | Q81-A83 VanDerWaalsContact C-N 3.34Å; Q81-A83 PolarHBondContact O-N 3.04Å; A83-R85 PolarHBondContact O-N 3.1Å |
| 84 | A | 49.4 | Very low | 60.6 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 83% | 0.826 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -1.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 85 | R | 52.6 | Low | 63.1 | Low | 104 Ų | 104 | 101.7 Ų | 101.7 | 39% | 0.392 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.4 | 24.2 | -169.9 | -76.9 | -177.8 | -177.2 | -169.2 | -1.4 | 113.5 | Q81 A83 H87 Q88 | Q81-R85 WeakPolarHBondContact O-CB 3.19Å; Q81-R85 WeakPolarHBondContact O-CD 3.37Å; Q81-R85 WeakPolarHBondContact O-CG 3.4Å; A83-R85 PolarHBondContact O-N 3.1Å; R85-H87 PolarHBondContact O-N 2.9Å; R85-Q88 HydrophobicContact CB-CB 3.97Å; R85-Q88 HydrophobicContact CG-CB 4Å; R85-Q88 PolarHBondContact O-N 3.03Å |
| 86 | A | 54.5 | Low | 65.8 | Low | 87 Ų | 87 | 104.1 Ų | 104.1 | 72% | 0.719 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -21 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 87 | H | 62.1 | Low | 68.3 | Low | 168 Ų | 168 | 110.2 Ų | 110.2 | 78% | 0.778 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 11.6 | 175.1 | -60.2 | -71.1 | 0 | 0 | 0 | 115.1 | R85 | R85-H87 PolarHBondContact O-N 2.9Š|
| 88 | Q | 81.3 | Confident | 70.5 | Confident | 60 Ų | 60 | 107.5 Ų | 107.5 | 28% | 0.28 | 57% | 0.566 | S | S | . | * | trans | -111.7 | 100.5 | -178.7 | -162.1 | 67.7 | 31.8 | 0 | 0 | 111 | R85 V92 R93 | R85-Q88 HydrophobicContact CB-CB 3.97Å; R85-Q88 HydrophobicContact CG-CB 4Å; R85-Q88 PolarHBondContact O-N 3.03Å; Q88-V92 PolarHBondContact NE2-O 3.02Å; Q88-R93 VanDerWaalsContact NE2-CA 3.34Å | ||
| 89 | Y | 87.7 | Confident | 72.6 | Confident | 70 Ų | 70 | 106.2 Ų | 106.2 | 28% | 0.275 | 54% | 0.544 | S | S | . | . | trans | -58.9 | 147 | 172.5 | -61.1 | -78.7 | 0 | 0 | 0 | 112 | G91 V92 P121 E122 A125 N143 F144 | Y89-G91 PolarHBondContact O-N 3.07Å; Y89-V92 PolarHBondContact O-N 2.73Å; Y89-P121 HydrophobicContact CD2-CB 3.78Å; Y89-P121 HydrophobicContact CE2-CB 3.77Å; Y89-P121 HydrophobicContact CE2-CG 4.28Å; Y89-E122 HydrophobicContact CE2-CG 4.36Å; Y89-A125 VanDerWaalsContact CB-CB 3.47Å; Y89-A125 HydrophobicContact CD1-CB 3.81Å; Y89-A125 HydrophobicContact CD2-CB 4.01Å; Y89-A125 HydrophobicContact CG-CB 3.49Å; Y89-A125 VanDerWaalsContact CG-CB 3.49Å; Y89-N143 HydrophobicContact CD1-CB 4.15Å; Y89-F144 HydrophobicContact CD1-CZ 4.31Å; Y89-F144 HydrophobicContact CE1-CE1 4.03Å; Y89-F144 AromaticContact CE1-CZ 3.9Å; Y89-F144 HydrophobicContact CE1-CZ 3.9Å | ||
| 90 | R | 88.4 | Confident | 74.6 | Confident | 94 Ų | 94 | 100.2 Ų | 100.2 | 36% | 0.355 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 133.3 | 176.5 | -174.6 | -176 | 169.2 | -117.8 | -11.9 | 109.5 | V92 Y128 K141 N143 | R90-V92 PolarHBondContact O-N 3.41Å; R90-Y128 HydrophobicContact CB-CE1 4.07Å; R90-Y128 HydrophobicContact CG-CD1 4.49Å; R90-Y128 HydrophobicContact CG-CE1 3.58Å; R90-Y128 PolarHBondContact NE-OH 2.97Å; R90-Y128 PolarHBondContact NH2-OH 2.86Å; R90-Y128 WeakPolarHBondContact O-CD1 3.47Å; R90-K141 PolarHBondContact NH1-O 3.41Å; R90-N143 WeakPolarHBondContact CA-OD1 3.21Å; R90-N143 WeakPolarHBondContact CB-OD1 3.35Å; R90-N143 PolarHBondContact N-OD1 3.38Å; R90-N143 PolarHBondContact O-ND2 3.25Å; R90-N143 VanDerWaalsContact O-ND2 3.1Å |
| 91 | G | 89.7 | Confident | 76.9 | Confident | 23 Ų | 23 | 93.8 Ų | 93.8 | 24% | 0.237 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -6.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y89 A102 E103 Y128 | Y89-G91 PolarHBondContact O-N 3.07Å; G91-A102 WeakPolarHBondContact O-CA 3.29Å; G91-E103 PolarHBondContact O-N 2.97Å; G91-Y128 VanDerWaalsContact CA-CE2 3.44Å |
| 92 | V | 91.8 | Very high | 79.2 | Confident | 11 Ų | 11 | 88.6 Ų | 88.6 | 7% | 0.067 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 141.8 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | Q88 Y89 R90 W100 A101 A124 A125 | Q88-V92 PolarHBondContact NE2-O 3.02Å; Y89-V92 PolarHBondContact O-N 2.73Å; R90-V92 PolarHBondContact O-N 3.41Å; V92-W100 HydrophobicContact CG1-CB 4.02Å; V92-W100 HydrophobicContact CG1-CD2 4.36Å; V92-W100 HydrophobicContact CG1-CE3 3.6Å; V92-W100 HydrophobicContact CG1-CZ3 4.4Å; V92-A101 CarbonylContact C-O 3.46Å; V92-A101 WeakPolarHBondContact CA-O 3.26Å; V92-A124 HydrophobicContact CB-CB 4.35Å; V92-A124 HydrophobicContact CG1-CB 3.74Å; V92-A124 HydrophobicContact CG2-CB 3.67Å; V92-A125 HydrophobicContact CG2-CB 3.99Å |
| 93 | R | 91.9 | Very high | 81.4 | Confident | 108 Ų | 108 | 88 Ų | 88 | 41% | 0.408 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 141 | 170 | 60.4 | -178.9 | 170.6 | 78.3 | 0.7 | 111.2 | Q88 A101 E103 | Q88-R93 VanDerWaalsContact NE2-CA 3.34Å; R93-A101 HydrophobicContact CG-CB 3.88Å; R93-A101 PolarHBondContact N-O 3.3Å; R93-A101 PolarHBondContact O-N 2.88Å; R93-E103 IonicContact CZ-OE2 3.45Å; R93-E103 IonicContact NE-OE2 3.54Å; R93-E103 PolarHBondContact NE-OE2 2.99Å; R93-E103 IonicContact NH2-OE2 3.46Å; R93-E103 PolarHBondContact NH2-OE2 3.41Å |
| 94 | R | 91.1 | Very high | 83.4 | Confident | 181 Ų | 181 | 84 Ų | 84 | 68% | 0.683 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.6 | 176.2 | -168.5 | 173.5 | 69.8 | 179.8 | 1.7 | 110.5 | W100 | R94-W100 HydrophobicContact CB-CE3 4.08Å; R94-W100 HydrophobicContact CB-CZ3 4.05Å; R94-W100 HydrophobicContact CG-CE3 4.48Å; R94-W100 HydrophobicContact CG-CZ3 4.48Å |
| 95 | R | 90.4 | Very high | 85.4 | Confident | 157 Ų | 157 | 87.3 Ų | 87.3 | 59% | 0.592 | 40% | 0.4 | S | S | * | . | trans | -80.7 | 150.8 | 170.6 | -167.5 | 84.4 | -163.9 | -111.9 | 11.4 | 108.5 | W97 G98 R99 | R95-W97 HydrophobicContact CB-CB 4.24Å; R95-W97 HydrophobicContact CG-CB 3.84Å; R95-W97 PolarHBondContact O-N 3.2Å; R95-G98 PolarHBondContact O-N 2.67Å; R95-R99 PolarHBondContact N-O 3.26Å; R95-R99 VanDerWaalsContact N-O 3.1Å | ||
| 96 | P | 89.2 | Confident | 86.8 | Confident | 137 Ų | 137 | 83.6 Ų | 83.6 | 89% | 0.89 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -16.2 | 169.6 | 23.1 | -35.8 | 0 | 0 | 0 | 113.6 | G98 | P96-G98 PolarHBondContact O-N 2.76Š|
| 97 | W | 86.8 | Confident | 88 | Confident | 195 Ų | 195 | 84.6 Ų | 84.6 | 74% | 0.739 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -8.4 | 170.3 | -171.5 | -112.2 | 0 | 0 | 0 | 114.2 | R95 R99 | R95-W97 HydrophobicContact CB-CB 4.24Å; R95-W97 HydrophobicContact CG-CB 3.84Å; R95-W97 PolarHBondContact O-N 3.2Å; W97-R99 VanDerWaalsContact C-N 3.3Å; W97-R99 VanDerWaalsContact CD1-CG 3.46Å; W97-R99 PolarHBondContact O-N 2.96Å |
| 98 | G | 89.2 | Confident | 88.9 | Confident | 38 Ų | 38 | 85.3 Ų | 85.3 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 80.3 | 5.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R95 P96 | R95-G98 PolarHBondContact O-N 2.67Å; P96-G98 PolarHBondContact O-N 2.76Å |
| 99 | R | 92.3 | Very high | 88.7 | Confident | 125 Ų | 125 | 89.9 Ų | 89.9 | 47% | 0.472 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -92 | 150.2 | 170.5 | -64.1 | -69.3 | 102 | 137 | 0.7 | 111.2 | R95 W97 | R95-R99 PolarHBondContact N-O 3.26Å; R95-R99 VanDerWaalsContact N-O 3.1Å; W97-R99 VanDerWaalsContact C-N 3.3Å; W97-R99 VanDerWaalsContact CD1-CG 3.46Å; W97-R99 PolarHBondContact O-N 2.96Å |
| 100 | W | 92.6 | Very high | 88.4 | Confident | 39 Ų | 39 | 90.9 Ų | 90.9 | 15% | 0.148 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.7 | 177.5 | -58.3 | 87.5 | 0 | 0 | 0 | 108.7 | V92 R94 T117 F118 A119 P121 A124 | V92-W100 HydrophobicContact CG1-CB 4.02Å; V92-W100 HydrophobicContact CG1-CD2 4.36Å; V92-W100 HydrophobicContact CG1-CE3 3.6Å; V92-W100 HydrophobicContact CG1-CZ3 4.4Å; R94-W100 HydrophobicContact CB-CE3 4.08Å; R94-W100 HydrophobicContact CB-CZ3 4.05Å; R94-W100 HydrophobicContact CG-CE3 4.48Å; R94-W100 HydrophobicContact CG-CZ3 4.48Å; W100-T117 CarbonylContact O-C 3.54Å; W100-T117 VanDerWaalsContact O-CA 3.28Å; W100-T117 WeakPolarHBondContact O-CA 3.5Å; W100-F118 PolarHBondContact N-O 3.43Å; W100-F118 PolarHBondContact O-N 3.49Å; W100-A119 PolarHBondContact NE1-O 2.93Å; W100-P121 HydrophobicContact CD2-CB 3.6Å; W100-P121 HydrophobicContact CD2-CG 4.23Å; W100-P121 HydrophobicContact CE3-CB 3.64Å; W100-P121 HydrophobicContact CG-CB 4.27Å; W100-P121 HydrophobicContact CH2-CB 3.67Å; W100-P121 HydrophobicContact CH2-CG 3.91Å; W100-P121 HydrophobicContact CZ2-CB 3.69Å; W100-P121 HydrophobicContact CZ2-CG 3.57Å; W100-P121 HydrophobicContact CZ3-CB 3.66Å; W100-P121 HydrophobicContact CZ3-CG 4.42Å; W100-A124 HydrophobicContact CB-CB 4Å |
| 101 | A | 92.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 88.5 Ų | 88.5 | 3% | 0.033 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V92 R93 T117 | V92-A101 CarbonylContact C-O 3.46Å; V92-A101 WeakPolarHBondContact CA-O 3.26Å; R93-A101 HydrophobicContact CG-CB 3.88Å; R93-A101 PolarHBondContact N-O 3.3Å; R93-A101 PolarHBondContact O-N 2.88Å; A101-T117 HydrophobicContact CB-CG2 4.02Å |
| 102 | A | 94.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 96.3 Ų | 96.3 | 0% | 0 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G91 L115 G116 F118 A124 | G91-A102 WeakPolarHBondContact O-CA 3.29Å; A102-L115 HydrophobicContact CB-CB 4.19Å; A102-L115 HydrophobicContact CB-CD1 4.17Å; A102-L115 WeakPolarHBondContact O-CB 3.48Å; A102-L115 PolarHBondContact O-N 3.29Å; A102-G116 PolarHBondContact N-O 2.94Å; A102-G116 PolarHBondContact O-N 3.05Å; A102-F118 HydrophobicContact CB-CD2 4.21Å; A102-F118 HydrophobicContact CB-CE2 3.83Å; A102-A124 HydrophobicContact CB-CB 4.22Å; A102-A124 WeakPolarHBondContact CB-O 3.5Å |
| 103 | E | 92.8 | Very high | 88.3 | Confident | 56 Ų | 56 | 98.7 Ų | 98.7 | 26% | 0.262 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 148.5 | 176.6 | 61.3 | -170.3 | -128 | 0 | 0 | 110.3 | G91 R93 V113 Y128 | G91-E103 PolarHBondContact O-N 2.97Å; R93-E103 IonicContact CZ-OE2 3.45Å; R93-E103 IonicContact NE-OE2 3.54Å; R93-E103 PolarHBondContact NE-OE2 2.99Å; R93-E103 IonicContact NH2-OE2 3.46Å; R93-E103 PolarHBondContact NH2-OE2 3.41Å; E103-V113 CarbonylContact C-O 3.57Å; E103-V113 VanDerWaalsContact CA-O 3.29Å; E103-V113 WeakPolarHBondContact CA-O 3.36Å; E103-V113 WeakPolarHBondContact CB-O 3.42Å; E103-Y128 WeakPolarHBondContact O-CD2 3.28Å; E103-Y128 WeakPolarHBondContact O-CE2 3.32Å |
| 104 | I | 90.8 | Very high | 88.3 | Confident | 8 Ų | 8 | 101.6 Ų | 101.6 | 4% | 0.041 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 144.4 | 177.7 | -171.6 | 155.4 | 0 | 0 | 0 | 111.4 | R112 V113 L115 Y128 A131 A132 F135 | I104-R112 WeakPolarHBondContact O-CA 3.43Å; I104-V113 HydrophobicContact CG2-CB 3.75Å; I104-V113 HydrophobicContact CG2-CG1 4.48Å; I104-V113 PolarHBondContact N-O 3.45Å; I104-V113 PolarHBondContact O-N 3.47Å; I104-L115 HydrophobicContact CB-CD1 4.32Å; I104-L115 HydrophobicContact CG2-CD1 4.49Å; I104-L115 HydrophobicContact CG2-CD2 4.13Å; I104-L115 HydrophobicContact CG2-CG 4.4Å; I104-Y128 HydrophobicContact CB-CD2 4.47Å; I104-Y128 HydrophobicContact CB-CE2 4.09Å; I104-Y128 HydrophobicContact CG1-CE2 4.22Å; I104-A131 HydrophobicContact CD1-CB 4.11Å; I104-A131 HydrophobicContact CG2-CB 4.49Å; I104-A132 HydrophobicContact CD1-CB 4.23Å; I104-F135 HydrophobicContact CD1-CB 3.81Å; I104-F135 HydrophobicContact CD1-CD2 3.54Å; I104-F135 HydrophobicContact CD1-CE2 4.29Å; I104-F135 HydrophobicContact CD1-CG 3.78Å; I104-F135 HydrophobicContact CG1-CD2 4.3Å; I104-F135 HydrophobicContact CG1-CG 4.44Å; I104-F135 HydrophobicContact CG2-CD2 4Å; I104-F135 HydrophobicContact CG2-CE2 3.6Å; I104-F135 HydrophobicContact CG2-CZ 3.91Å |
| 105 | R | 90.8 | Very high | 88.4 | Confident | 168 Ų | 168 | 95.5 Ų | 95.5 | 63% | 0.634 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.2 | -179.3 | 179.5 | 179.1 | -175.7 | -88.5 | -2.5 | 109.5 | ||
| 106 | D | 82.1 | Confident | 88.6 | Confident | 26 Ų | 26 | 88.7 Ų | 88.7 | 14% | 0.139 | 44% | 0.439 | C | S | . | . | trans | -94.7 | 132.4 | 169.3 | -68.8 | -30.7 | 0 | 0 | 0 | 110.3 | E108 K109 F135 | D106-E108 VanDerWaalsContact C-N 3.34Å; D106-K109 HydrophobicContact CB-CB 4.05Å; D106-F135 WeakPolarHBondContact OD1-CD1 3.29Å; D106-F135 VanDerWaalsContact OD2-CD1 3.23Å; D106-F135 WeakPolarHBondContact OD2-CD1 3.49Å; D106-F135 VanDerWaalsContact OD2-CE1 3.32Å; D106-F135 WeakPolarHBondContact OD2-CE1 3.44Å | ||
| 107 | P | 79.9 | Confident | 88.8 | Confident | 108 Ų | 108 | 86.1 Ų | 86.1 | 70% | 0.701 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -33.8 | 175 | 27.6 | -32.1 | 0 | 0 | 0 | 112 | ||
| 108 | E | 81.4 | Confident | 89.2 | Confident | 183 Ų | 183 | 78.6 Ų | 78.6 | 86% | 0.855 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -43.6 | -175.2 | -62.9 | -172.9 | 146.7 | 0 | 0 | 112.7 | D106 A110 | D106-E108 VanDerWaalsContact C-N 3.34Å; E108-A110 VanDerWaalsContact C-N 3.32Å; E108-A110 PolarHBondContact O-N 2.72Å |
| 109 | K | 77.3 | Confident | 89.3 | Confident | 157 Ų | 157 | 79.5 Ų | 79.5 | 68% | 0.683 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.4 | -172.5 | -62.6 | -175.5 | 178 | -179.9 | 0 | 113.9 | D106 A111 | D106-K109 HydrophobicContact CB-CB 4.05Å; K109-A111 HydrophobicContact CB-CB 4.39Å; K109-A111 PolarHBondContact O-N 3.09Å |
| 110 | A | 81.6 | Confident | 89.4 | Confident | 90 Ų | 90 | 76 Ų | 76 | 74% | 0.744 | 39% | 0.391 | S | S | * | . | trans | 48.3 | 12.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E108 | E108-A110 VanDerWaalsContact C-N 3.32Å; E108-A110 PolarHBondContact O-N 2.72Å | ||
| 111 | A | 85.7 | Confident | 89.4 | Confident | 44 Ų | 44 | 75.1 Ų | 75.1 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | trans | -94.4 | 148.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | K109 | K109-A111 HydrophobicContact CB-CB 4.39Å; K109-A111 PolarHBondContact O-N 3.09Å | ||
| 112 | R | 91.1 | Very high | 89.4 | Confident | 188 Ų | 188 | 78.4 Ų | 78.4 | 71% | 0.709 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.5 | 171.3 | -58.5 | -177.3 | -171.7 | -167.8 | 3.3 | 107.4 | I104 | I104-R112 WeakPolarHBondContact O-CA 3.43Å |
| 113 | V | 90.4 | Very high | 89.4 | Confident | 60 Ų | 60 | 82.1 Ų | 82.1 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120 | 176.1 | -179 | 0 | 0 | 0 | 0 | 107.7 | E103 I104 F135 | E103-V113 CarbonylContact C-O 3.57Å; E103-V113 VanDerWaalsContact CA-O 3.29Å; E103-V113 WeakPolarHBondContact CA-O 3.36Å; E103-V113 WeakPolarHBondContact CB-O 3.42Å; I104-V113 HydrophobicContact CG2-CB 3.75Å; I104-V113 HydrophobicContact CG2-CG1 4.48Å; I104-V113 PolarHBondContact N-O 3.45Å; I104-V113 PolarHBondContact O-N 3.47Å; V113-F135 HydrophobicContact CB-CZ 4.34Å; V113-F135 HydrophobicContact CG2-CE1 4.46Å; V113-F135 HydrophobicContact CG2-CZ 3.99Å |
| 114 | W | 91.7 | Very high | 89.4 | Confident | 170 Ų | 170 | 79.4 Ų | 79.4 | 64% | 0.644 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 120.8 | 174.3 | 176.9 | 42.7 | 0 | 0 | 0 | 108.7 | G116 T117 | W114-G116 VanDerWaalsContact NE1-C 3.3Å; W114-G116 PolarHBondContact NE1-O 3.43Å; W114-G116 VanDerWaalsContact NE1-O 3.07Å; W114-T117 HydrophobicContact CZ2-CG2 4.1Å |
| 115 | L | 92.9 | Very high | 89.5 | Confident | 52 Ų | 52 | 79 Ų | 79 | 27% | 0.272 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -30.9 | -176.6 | -60.2 | 168.9 | 0 | 0 | 0 | 111.5 | A102 I104 Y128 A131 | A102-L115 HydrophobicContact CB-CB 4.19Å; A102-L115 HydrophobicContact CB-CD1 4.17Å; A102-L115 WeakPolarHBondContact O-CB 3.48Å; A102-L115 PolarHBondContact O-N 3.29Å; I104-L115 HydrophobicContact CB-CD1 4.32Å; I104-L115 HydrophobicContact CG2-CD1 4.49Å; I104-L115 HydrophobicContact CG2-CD2 4.13Å; I104-L115 HydrophobicContact CG2-CG 4.4Å; L115-Y128 HydrophobicContact CD1-CD2 3.99Å; L115-A131 HydrophobicContact CD1-CB 3.77Å; L115-A131 HydrophobicContact CD2-CB 3.46Å; L115-A131 VanDerWaalsContact CD2-CB 3.46Å; L115-A131 HydrophobicContact CG-CB 4.27Å |
| 116 | G | 94.2 | Very high | 89.7 | Confident | 14 Ų | 14 | 77 Ų | 77 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.8 | -173.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A102 W114 | A102-G116 PolarHBondContact N-O 2.94Å; A102-G116 PolarHBondContact O-N 3.05Å; W114-G116 VanDerWaalsContact NE1-C 3.3Å; W114-G116 PolarHBondContact NE1-O 3.43Å; W114-G116 VanDerWaalsContact NE1-O 3.07Å |
| 117 | T | 94.7 | Very high | 90.2 | Very high | 83 Ų | 83 | 77 Ų | 77 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.6 | 170.5 | 52.2 | 0 | 0 | 0 | 0 | 108.8 | W100 A101 W114 | W100-T117 CarbonylContact O-C 3.54Å; W100-T117 VanDerWaalsContact O-CA 3.28Å; W100-T117 WeakPolarHBondContact O-CA 3.5Å; A101-T117 HydrophobicContact CB-CG2 4.02Å; W114-T117 HydrophobicContact CZ2-CG2 4.1Å |
| 118 | F | 94.1 | Very high | 90.9 | Very high | 37 Ų | 37 | 72.5 Ų | 72.5 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 156.8 | -172.7 | -54.9 | -84.8 | 0 | 0 | 0 | 110.3 | W100 A102 E123 A124 A127 | W100-F118 PolarHBondContact N-O 3.43Å; W100-F118 PolarHBondContact O-N 3.49Å; A102-F118 HydrophobicContact CB-CD2 4.21Å; A102-F118 HydrophobicContact CB-CE2 3.83Å; F118-E123 HydrophobicContact CB-CB 4.27Å; F118-E123 HydrophobicContact CB-CG 4.24Å; F118-E123 HydrophobicContact CD1-CB 4.41Å; F118-E123 HydrophobicContact CD1-CG 3.56Å; F118-E123 HydrophobicContact CE1-CG 4.24Å; F118-E123 HydrophobicContact CG-CG 4.13Å; F118-A124 HydrophobicContact CB-CB 4Å; F118-A124 HydrophobicContact CD2-CB 3.58Å; F118-A124 HydrophobicContact CE2-CB 4.46Å; F118-A124 HydrophobicContact CG-CB 4.07Å; F118-A127 HydrophobicContact CE1-CB 4.01Å; F118-A127 HydrophobicContact CE2-CB 3.69Å; F118-A127 HydrophobicContact CZ-CB 3.3Å |
| 119 | A | 92.5 | Very high | 91.5 | Very high | 57 Ų | 57 | 64 Ų | 64 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -77.3 | -31 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | W100 | W100-A119 PolarHBondContact NE1-O 2.93Š|
| 120 | T | 93.5 | Very high | 92.2 | Very high | 53 Ų | 53 | 60 Ų | 60 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -114 | 147.8 | -177.8 | 66.6 | 0 | 0 | 0 | 0 | 111.8 | E122 E123 A124 | T120-E122 VanDerWaalsContact C-N 3.28Å; T120-E122 WeakPolarHBondContact CB-OE2 3.4Å; T120-E123 WeakPolarHBondContact OG1-CB 3.47Å; T120-E123 PolarHBondContact OG1-N 2.94Å; T120-A124 PolarHBondContact O-N 3.29Å |
| 121 | P | 92.1 | Very high | 92.7 | Very high | 20 Ų | 20 | 56 Ų | 56 | 13% | 0.13 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.9 | -32.1 | 174.7 | 23.8 | -27.7 | 0 | 0 | 0 | 112.3 | Y89 W100 A124 A125 | Y89-P121 HydrophobicContact CD2-CB 3.78Å; Y89-P121 HydrophobicContact CE2-CB 3.77Å; Y89-P121 HydrophobicContact CE2-CG 4.28Å; W100-P121 HydrophobicContact CD2-CB 3.6Å; W100-P121 HydrophobicContact CD2-CG 4.23Å; W100-P121 HydrophobicContact CE3-CB 3.64Å; W100-P121 HydrophobicContact CG-CB 4.27Å; W100-P121 HydrophobicContact CH2-CB 3.67Å; W100-P121 HydrophobicContact CH2-CG 3.91Å; W100-P121 HydrophobicContact CZ2-CB 3.69Å; W100-P121 HydrophobicContact CZ2-CG 3.57Å; W100-P121 HydrophobicContact CZ3-CB 3.66Å; W100-P121 HydrophobicContact CZ3-CG 4.42Å; P121-A124 PolarHBondContact O-N 3.31Å; P121-A125 VanDerWaalsContact O-CB 3.29Å; P121-A125 WeakPolarHBondContact O-CB 3Å; P121-A125 PolarHBondContact O-N 3.46Å |
| 122 | E | 93.3 | Very high | 93 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 34% | 0.341 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.6 | -43.1 | -179 | -61.6 | 73.2 | -160.1 | 0 | 0 | 111.4 | Y89 T120 A125 R126 F144 | Y89-E122 HydrophobicContact CE2-CG 4.36Å; T120-E122 VanDerWaalsContact C-N 3.28Å; T120-E122 WeakPolarHBondContact CB-OE2 3.4Å; E122-A125 PolarHBondContact O-N 2.81Å; E122-R126 WeakPolarHBondContact O-CG 3.28Å; E122-R126 PolarHBondContact O-N 3.48Å; E122-F144 HydrophobicContact CB-CZ 4.24Å |
| 123 | E | 93.7 | Very high | 93 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 36% | 0.36 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 175.5 | -173.9 | -173 | -173.2 | 0 | 0 | 111.5 | F118 T120 A125 R126 A127 | F118-E123 HydrophobicContact CB-CB 4.27Å; F118-E123 HydrophobicContact CB-CG 4.24Å; F118-E123 HydrophobicContact CD1-CB 4.41Å; F118-E123 HydrophobicContact CD1-CG 3.56Å; F118-E123 HydrophobicContact CE1-CG 4.24Å; F118-E123 HydrophobicContact CG-CG 4.13Å; T120-E123 WeakPolarHBondContact OG1-CB 3.47Å; T120-E123 PolarHBondContact OG1-N 2.94Å; E123-A125 VanDerWaalsContact C-N 3.25Å; E123-A125 PolarHBondContact O-N 2.86Å; E123-R126 PolarHBondContact O-N 2.93Å; E123-R126 VanDerWaalsContact O-N 3.17Å; E123-A127 PolarHBondContact O-N 3.19Å |
| 124 | A | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.8 | -40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V92 W100 A102 F118 T120 P121 Y128 | V92-A124 HydrophobicContact CB-CB 4.35Å; V92-A124 HydrophobicContact CG1-CB 3.74Å; V92-A124 HydrophobicContact CG2-CB 3.67Å; W100-A124 HydrophobicContact CB-CB 4Å; A102-A124 HydrophobicContact CB-CB 4.22Å; A102-A124 WeakPolarHBondContact CB-O 3.5Å; F118-A124 HydrophobicContact CB-CB 4Å; F118-A124 HydrophobicContact CD2-CB 3.58Å; F118-A124 HydrophobicContact CE2-CB 4.46Å; F118-A124 HydrophobicContact CG-CB 4.07Å; T120-A124 PolarHBondContact O-N 3.29Å; P121-A124 PolarHBondContact O-N 3.31Å; A124-Y128 WeakPolarHBondContact O-CB 3.42Å; A124-Y128 PolarHBondContact O-N 3Å |
| 125 | A | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y89 V92 P121 E122 E123 Y128 D129 N143 F144 | Y89-A125 VanDerWaalsContact CB-CB 3.47Å; Y89-A125 HydrophobicContact CD1-CB 3.81Å; Y89-A125 HydrophobicContact CD2-CB 4.01Å; Y89-A125 HydrophobicContact CG-CB 3.49Å; Y89-A125 VanDerWaalsContact CG-CB 3.49Å; V92-A125 HydrophobicContact CG2-CB 3.99Å; P121-A125 VanDerWaalsContact O-CB 3.29Å; P121-A125 WeakPolarHBondContact O-CB 3Å; P121-A125 PolarHBondContact O-N 3.46Å; E122-A125 PolarHBondContact O-N 2.81Å; E123-A125 VanDerWaalsContact C-N 3.25Å; E123-A125 PolarHBondContact O-N 2.86Å; A125-Y128 WeakPolarHBondContact O-CB 3.13Å; A125-Y128 PolarHBondContact O-N 3.34Å; A125-D129 VanDerWaalsContact O-CG 3.27Å; A125-D129 PolarHBondContact O-N 3.44Å; A125-N143 HydrophobicContact CB-CB 4.32Å; A125-F144 HydrophobicContact CB-CD2 4.49Å; A125-F144 HydrophobicContact CB-CE2 3.44Å; A125-F144 VanDerWaalsContact CB-CE2 3.44Å; A125-F144 HydrophobicContact CB-CZ 3.84Å |
| 126 | R | 93.8 | Very high | 92.3 | Very high | 126 Ų | 126 | 57.1 Ų | 57.1 | 48% | 0.475 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.2 | -46 | 174.7 | -75.1 | -170.7 | -63.7 | -89.4 | 3.4 | 111.4 | E122 E123 Y128 D129 D130 F144 | E122-R126 WeakPolarHBondContact O-CG 3.28Å; E122-R126 PolarHBondContact O-N 3.48Å; E123-R126 PolarHBondContact O-N 2.93Å; E123-R126 VanDerWaalsContact O-N 3.17Å; R126-Y128 PolarHBondContact O-N 3.49Å; R126-D129 WeakPolarHBondContact O-CB 3.2Å; R126-D129 PolarHBondContact O-N 3.38Å; R126-D130 PolarHBondContact O-N 3.13Å; R126-F144 HydrophobicContact CB-CE2 4.39Å; R126-F144 HydrophobicContact CG-CD2 3.72Å; R126-F144 HydrophobicContact CG-CE2 3.54Å; R126-F144 HydrophobicContact CG-CZ 4.4Å |
| 127 | A | 93.8 | Very high | 91.9 | Very high | 25 Ų | 25 | 57.9 Ų | 57.9 | 21% | 0.207 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F118 E123 A131 | F118-A127 HydrophobicContact CE1-CB 4.01Å; F118-A127 HydrophobicContact CE2-CB 3.69Å; F118-A127 HydrophobicContact CZ-CB 3.3Å; E123-A127 PolarHBondContact O-N 3.19Å; A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 3.49Å; A127-A131 VanDerWaalsContact O-N 3.14Å |
| 128 | Y | 94.2 | Very high | 91.3 | Very high | 13 Ų | 13 | 59.1 Ų | 59.1 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 172.6 | -175.9 | -97.1 | 0 | 0 | 0 | 113.1 | R90 G91 E103 I104 L115 A124 A125 R126 A131 A132 | R90-Y128 HydrophobicContact CB-CE1 4.07Å; R90-Y128 HydrophobicContact CG-CD1 4.49Å; R90-Y128 HydrophobicContact CG-CE1 3.58Å; R90-Y128 PolarHBondContact NE-OH 2.97Å; R90-Y128 PolarHBondContact NH2-OH 2.86Å; R90-Y128 WeakPolarHBondContact O-CD1 3.47Å; G91-Y128 VanDerWaalsContact CA-CE2 3.44Å; E103-Y128 WeakPolarHBondContact O-CD2 3.28Å; E103-Y128 WeakPolarHBondContact O-CE2 3.32Å; I104-Y128 HydrophobicContact CB-CD2 4.47Å; I104-Y128 HydrophobicContact CB-CE2 4.09Å; I104-Y128 HydrophobicContact CG1-CE2 4.22Å; L115-Y128 HydrophobicContact CD1-CD2 3.99Å; A124-Y128 WeakPolarHBondContact O-CB 3.42Å; A124-Y128 PolarHBondContact O-N 3Å; A125-Y128 WeakPolarHBondContact O-CB 3.13Å; A125-Y128 PolarHBondContact O-N 3.34Å; R126-Y128 PolarHBondContact O-N 3.49Å; Y128-A131 PolarHBondContact O-N 3.39Å; Y128-A132 HydrophobicContact CE1-CB 4.4Å; Y128-A132 VanDerWaalsContact O-CB 3.24Å; Y128-A132 WeakPolarHBondContact O-CB 3.43Å; Y128-A132 PolarHBondContact O-N 3.41Å |
| 129 | D | 92.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 66.1 Ų | 66.1 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 179.5 | -74.2 | -6.9 | 0 | 0 | 0 | 112.3 | A125 R126 A132 R133 L142 N143 F144 | A125-D129 VanDerWaalsContact O-CG 3.27Å; A125-D129 PolarHBondContact O-N 3.44Å; R126-D129 WeakPolarHBondContact O-CB 3.2Å; R126-D129 PolarHBondContact O-N 3.38Å; D129-A132 PolarHBondContact O-N 3.14Å; D129-R133 WeakPolarHBondContact O-CB 3.22Å; D129-R133 PolarHBondContact O-N 3.32Å; D129-L142 HydrophobicContact CB-CB 4.18Å; D129-L142 HydrophobicContact CB-CD1 4.42Å; D129-L142 HydrophobicContact CB-CD2 3.94Å; D129-L142 HydrophobicContact CB-CG 4.39Å; D129-L142 WeakPolarHBondContact O-CD2 3.37Å; D129-L142 WeakPolarHBondContact OD1-CA 3.42Å; D129-N143 VanDerWaalsContact CG-N 3.26Å; D129-N143 PolarHBondContact OD1-N 3.03Å; D129-N143 PolarHBondContact OD1-ND2 3.45Å; D129-N143 WeakPolarHBondContact OD2-CB 3.34Å; D129-N143 PolarHBondContact OD2-N 3.07Å; D129-F144 VanDerWaalsContact OD2-CD2 3.26Å; D129-F144 WeakPolarHBondContact OD2-CD2 3.37Å; D129-F144 PolarHBondContact OD2-N 3.43Å |
| 130 | D | 93.1 | Very high | 90.3 | Very high | 73 Ų | 73 | 64.2 Ų | 64.2 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 175.7 | -71.4 | -29.6 | 0 | 0 | 0 | 111.8 | R126 R133 R134 | R126-D130 PolarHBondContact O-N 3.13Å; D130-R133 IonicContact OD1-CZ 2.93Å; D130-R133 IonicContact OD1-NH1 3.38Å; D130-R133 PolarHBondContact OD1-NH1 3.09Å; D130-R134 WeakPolarHBondContact O-CG 3.4Å; D130-R134 PolarHBondContact O-N 2.92Å |
| 131 | A | 92.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -52.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I104 L115 A127 Y128 R133 R134 F135 | I104-A131 HydrophobicContact CD1-CB 4.11Å; I104-A131 HydrophobicContact CG2-CB 4.49Å; L115-A131 HydrophobicContact CD1-CB 3.77Å; L115-A131 HydrophobicContact CD2-CB 3.46Å; L115-A131 VanDerWaalsContact CD2-CB 3.46Å; L115-A131 HydrophobicContact CG-CB 4.27Å; A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 3.49Å; A127-A131 VanDerWaalsContact O-N 3.14Å; Y128-A131 PolarHBondContact O-N 3.39Å; A131-R133 PolarHBondContact O-N 2.81Å; A131-R133 VanDerWaalsContact O-N 3.13Å; A131-R134 CarbonylContact O-C 3.51Å; A131-R134 WeakPolarHBondContact O-CA 3.36Å; A131-R134 WeakPolarHBondContact O-CB 3.27Å; A131-R134 PolarHBondContact O-N 3.29Å; A131-F135 HydrophobicContact CB-CD2 4.2Å; A131-F135 HydrophobicContact CB-CE2 4.32Å; A131-F135 WeakPolarHBondContact O-CD2 3.38Å; A131-F135 PolarHBondContact O-N 2.99Å |
| 132 | A | 91.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 3% | 0.025 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56 | -36.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | I104 Y128 D129 F135 K136 A140 L142 | I104-A132 HydrophobicContact CD1-CB 4.23Å; Y128-A132 HydrophobicContact CE1-CB 4.4Å; Y128-A132 VanDerWaalsContact O-CB 3.24Å; Y128-A132 WeakPolarHBondContact O-CB 3.43Å; Y128-A132 PolarHBondContact O-N 3.41Å; D129-A132 PolarHBondContact O-N 3.14Å; A132-F135 PolarHBondContact O-N 3.15Å; A132-K136 WeakPolarHBondContact O-CB 3.4Å; A132-K136 PolarHBondContact O-N 2.96Å; A132-A140 HydrophobicContact CB-CB 4.21Å; A132-A140 VanDerWaalsContact O-CB 3.29Å; A132-A140 WeakPolarHBondContact O-CB 3.41Å; A132-L142 HydrophobicContact CB-CD2 3.92Å |
| 133 | R | 90.6 | Very high | 89.5 | Confident | 95 Ų | 95 | 68.8 Ų | 68.8 | 36% | 0.358 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 173.6 | -165.6 | -177.4 | -62.7 | 115.8 | 0.9 | 112.1 | D129 D130 A131 G137 | D129-R133 WeakPolarHBondContact O-CB 3.22Å; D129-R133 PolarHBondContact O-N 3.32Å; D130-R133 IonicContact OD1-CZ 2.93Å; D130-R133 IonicContact OD1-NH1 3.38Å; D130-R133 PolarHBondContact OD1-NH1 3.09Å; A131-R133 PolarHBondContact O-N 2.81Å; A131-R133 VanDerWaalsContact O-N 3.13Å; R133-G137 CarbonylContact O-C 3.57Å; R133-G137 WeakPolarHBondContact O-CA 3.38Å; R133-G137 PolarHBondContact O-N 3.1Å |
| 134 | R | 88.9 | Confident | 89 | Confident | 216 Ų | 216 | 68 Ų | 68 | 82% | 0.815 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.6 | -37.4 | 175.1 | -65.5 | 170.5 | -175.9 | 178 | 2.2 | 112.6 | D130 A131 | D130-R134 WeakPolarHBondContact O-CG 3.4Å; D130-R134 PolarHBondContact O-N 2.92Å; A131-R134 CarbonylContact O-C 3.51Å; A131-R134 WeakPolarHBondContact O-CA 3.36Å; A131-R134 WeakPolarHBondContact O-CB 3.27Å; A131-R134 PolarHBondContact O-N 3.29Å |
| 135 | F | 86.3 | Confident | 88.2 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 37% | 0.368 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -82 | -42.5 | -175.9 | -81.4 | -87.6 | 0 | 0 | 0 | 113.8 | I104 D106 V113 A131 A132 | I104-F135 HydrophobicContact CD1-CB 3.81Å; I104-F135 HydrophobicContact CD1-CD2 3.54Å; I104-F135 HydrophobicContact CD1-CE2 4.29Å; I104-F135 HydrophobicContact CD1-CG 3.78Å; I104-F135 HydrophobicContact CG1-CD2 4.3Å; I104-F135 HydrophobicContact CG1-CG 4.44Å; I104-F135 HydrophobicContact CG2-CD2 4Å; I104-F135 HydrophobicContact CG2-CE2 3.6Å; I104-F135 HydrophobicContact CG2-CZ 3.91Å; D106-F135 WeakPolarHBondContact OD1-CD1 3.29Å; D106-F135 VanDerWaalsContact OD2-CD1 3.23Å; D106-F135 WeakPolarHBondContact OD2-CD1 3.49Å; D106-F135 VanDerWaalsContact OD2-CE1 3.32Å; D106-F135 WeakPolarHBondContact OD2-CE1 3.44Å; V113-F135 HydrophobicContact CB-CZ 4.34Å; V113-F135 HydrophobicContact CG2-CE1 4.46Å; V113-F135 HydrophobicContact CG2-CZ 3.99Å; A131-F135 HydrophobicContact CB-CD2 4.2Å; A131-F135 HydrophobicContact CB-CE2 4.32Å; A131-F135 WeakPolarHBondContact O-CD2 3.38Å; A131-F135 PolarHBondContact O-N 2.99Å; A132-F135 PolarHBondContact O-N 3.15Å |
| 136 | K | 85.9 | Confident | 86.9 | Confident | 138 Ų | 138 | 77.4 Ų | 77.4 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -105 | -7.8 | -177.6 | -175.9 | 160.6 | 173.9 | 174.8 | 0 | 113.5 | A132 K139 A140 | A132-K136 WeakPolarHBondContact O-CB 3.4Å; A132-K136 PolarHBondContact O-N 2.96Å; K136-K139 WeakPolarHBondContact CE-O 3.35Å; K136-A140 HydrophobicContact CB-CB 4.02Å; K136-A140 HydrophobicContact CG-CB 4.44Å |
| 137 | G | 86.1 | Confident | 85.1 | Confident | 30 Ų | 30 | 78.4 Ų | 78.4 | 31% | 0.309 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | 76 | -158.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R133 K139 A140 | R133-G137 CarbonylContact O-C 3.57Å; R133-G137 WeakPolarHBondContact O-CA 3.38Å; R133-G137 PolarHBondContact O-N 3.1Å; G137-K139 PolarHBondContact O-N 3.36Å; G137-A140 VanDerWaalsContact O-CB 3.29Å; G137-A140 WeakPolarHBondContact O-CB 3.31Å; G137-A140 PolarHBondContact O-N 3.15Å; G137-A140 VanDerWaalsContact O-N 3.08Å |
| 138 | A | 81 | Confident | 83 | Confident | 109 Ų | 109 | 83.4 Ų | 83.4 | 90% | 0.901 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -61.2 | -17.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A140 | A138-A140 VanDerWaalsContact C-N 3.31Š|
| 139 | K | 80.6 | Confident | 80.7 | Confident | 184 Ų | 184 | 86.5 Ų | 86.5 | 80% | 0.8 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -92.1 | 14.9 | 178.2 | -61.9 | -177.9 | 177.8 | 178.8 | 0 | 113 | K136 G137 | K136-K139 WeakPolarHBondContact CE-O 3.35Å; G137-K139 PolarHBondContact O-N 3.36Å |
| 140 | A | 85 | Confident | 78.3 | Confident | 17 Ų | 17 | 92.3 Ų | 92.3 | 14% | 0.14 | 50% | 0.502 | C | S | . | . | trans | -66.4 | 135 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A132 K136 G137 A138 L142 | A132-A140 HydrophobicContact CB-CB 4.21Å; A132-A140 VanDerWaalsContact O-CB 3.29Å; A132-A140 WeakPolarHBondContact O-CB 3.41Å; K136-A140 HydrophobicContact CB-CB 4.02Å; K136-A140 HydrophobicContact CG-CB 4.44Å; G137-A140 VanDerWaalsContact O-CB 3.29Å; G137-A140 WeakPolarHBondContact O-CB 3.31Å; G137-A140 PolarHBondContact O-N 3.15Å; G137-A140 VanDerWaalsContact O-N 3.08Å; A138-A140 VanDerWaalsContact C-N 3.31Å; A140-L142 HydrophobicContact CB-CD2 3.67Å; A140-L142 HydrophobicContact CB-CG 4.45Å; A140-L142 PolarHBondContact O-N 2.81Å | ||
| 141 | K | 84.4 | Confident | 75.8 | Confident | 161 Ų | 161 | 93.8 Ų | 93.8 | 70% | 0.7 | 52% | 0.524 | S | S | * | . | trans | -82.3 | 99 | 171.1 | -172.7 | 174 | -175.7 | 174.9 | 0 | 108.5 | R90 | R90-K141 PolarHBondContact NH1-O 3.41Š| ||
| 142 | L | 90.1 | Very high | 73.4 | Confident | 39 Ų | 39 | 99.3 Ų | 99.3 | 20% | 0.204 | 56% | 0.557 | C | S | . | * | trans | -86 | 157.3 | 179.8 | -52.1 | -171.4 | 0 | 0 | 0 | 110.6 | D129 A132 A140 | D129-L142 HydrophobicContact CB-CB 4.18Å; D129-L142 HydrophobicContact CB-CD1 4.42Å; D129-L142 HydrophobicContact CB-CD2 3.94Å; D129-L142 HydrophobicContact CB-CG 4.39Å; D129-L142 WeakPolarHBondContact O-CD2 3.37Å; D129-L142 WeakPolarHBondContact OD1-CA 3.42Å; A132-L142 HydrophobicContact CB-CD2 3.92Å; A140-L142 HydrophobicContact CB-CD2 3.67Å; A140-L142 HydrophobicContact CB-CG 4.45Å; A140-L142 PolarHBondContact O-N 2.81Å | ||
| 143 | N | 87.3 | Confident | 71.3 | Confident | 42 Ų | 42 | 105.1 Ų | 105.1 | 23% | 0.225 | 59% | 0.593 | C | S | . | * | S | Bend | trans | -75.2 | -40.4 | 171.3 | -66.8 | -69.8 | 0 | 0 | 0 | 111 | Y89 R90 A125 D129 | Y89-N143 HydrophobicContact CD1-CB 4.15Å; R90-N143 WeakPolarHBondContact CA-OD1 3.21Å; R90-N143 WeakPolarHBondContact CB-OD1 3.35Å; R90-N143 PolarHBondContact N-OD1 3.38Å; R90-N143 PolarHBondContact O-ND2 3.25Å; R90-N143 VanDerWaalsContact O-ND2 3.1Å; A125-N143 HydrophobicContact CB-CB 4.32Å; D129-N143 VanDerWaalsContact CG-N 3.26Å; D129-N143 PolarHBondContact OD1-N 3.03Å; D129-N143 PolarHBondContact OD1-ND2 3.45Å; D129-N143 WeakPolarHBondContact OD2-CB 3.34Å; D129-N143 PolarHBondContact OD2-N 3.07Å |
| 144 | F | 84.3 | Confident | 69.2 | Low | 60 Ų | 60 | 106.3 Ų | 106.3 | 26% | 0.263 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -102.4 | 112.1 | 177.4 | -55.7 | -73.6 | 0 | 0 | 0 | 109.3 | Y89 E122 A125 R126 D129 T146 | Y89-F144 HydrophobicContact CD1-CZ 4.31Å; Y89-F144 HydrophobicContact CE1-CE1 4.03Å; Y89-F144 AromaticContact CE1-CZ 3.9Å; Y89-F144 HydrophobicContact CE1-CZ 3.9Å; E122-F144 HydrophobicContact CB-CZ 4.24Å; A125-F144 HydrophobicContact CB-CD2 4.49Å; A125-F144 HydrophobicContact CB-CE2 3.44Å; A125-F144 VanDerWaalsContact CB-CE2 3.44Å; A125-F144 HydrophobicContact CB-CZ 3.84Å; R126-F144 HydrophobicContact CB-CE2 4.39Å; R126-F144 HydrophobicContact CG-CD2 3.72Å; R126-F144 HydrophobicContact CG-CE2 3.54Å; R126-F144 HydrophobicContact CG-CZ 4.4Å; D129-F144 VanDerWaalsContact OD2-CD2 3.26Å; D129-F144 WeakPolarHBondContact OD2-CD2 3.37Å; D129-F144 PolarHBondContact OD2-N 3.43Å; F144-T146 PolarHBondContact O-N 3.36Å |
| 145 | P | 77.8 | Confident | 67.3 | Low | 118 Ų | 118 | 101.5 Ų | 101.5 | 77% | 0.766 | 61% | 0.606 | S | S | * | * | trans | -65.3 | 105.7 | 169.5 | 27.3 | -31.4 | 0 | 0 | 0 | 107.9 | T147 | P145-T147 PolarHBondContact O-N 3.03Å; P145-T147 VanDerWaalsContact O-N 3.13Å | ||
| 146 | T | 65.1 | Low | 65.5 | Low | 81 Ų | 81 | 103 Ų | 103 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | trans | -67.6 | 109.8 | 172.1 | 47.7 | 0 | 0 | 0 | 0 | 107.9 | F144 T148 | F144-T146 PolarHBondContact O-N 3.36Å; T146-T148 PolarHBondContact O-N 3.22Å | ||
| 147 | T | 55.3 | Low | 63.8 | Low | 147 Ų | 147 | 102.2 Ų | 102.2 | 90% | 0.902 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -65.8 | 28.8 | -178.8 | -30.1 | 0 | 0 | 0 | 0 | 114.1 | P145 | P145-T147 PolarHBondContact O-N 3.03Å; P145-T147 VanDerWaalsContact O-N 3.13Å |
| 148 | T | 50.6 | Low | 62.2 | Low | 129 Ų | 129 | 108.8 Ų | 108.8 | 79% | 0.791 | 66% | 0.661 | S | S | * | * | trans | -135 | 53.4 | -167.2 | -28.8 | 0 | 0 | 0 | 0 | 111 | T146 | T146-T148 PolarHBondContact O-N 3.22Š| ||
| 149 | A | 45.2 | Very low | 61 | Low | 79 Ų | 79 | 108.9 Ų | 108.9 | 65% | 0.653 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -160.4 | 87.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 150 | T | 42.4 | Very low | 59.4 | Low | 126 Ų | 126 | 105.6 Ų | 105.6 | 77% | 0.773 | 66% | 0.655 | S | S | * | * | trans | 49.2 | 84.1 | 149 | 58.4 | 0 | 0 | 0 | 0 | 116.9 | T152 | T150-T152 VanDerWaalsContact C-N 3.32Å; T150-T152 PolarHBondContact O-N 2.96Å | ||
| 151 | A | 40.9 | Very low | 57.6 | Low | 104 Ų | 104 | 110.7 Ų | 110.7 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | trans | -64.9 | 91.6 | 153 | 0 | 0 | 0 | 0 | 0 | 109.6 | T153 | A151-T153 VanDerWaalsContact C-N 3.34Š| ||
| 152 | T | 43.3 | Very low | 55.7 | Low | 123 Ų | 123 | 111.7 Ų | 111.7 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | trans | -92.2 | 72.6 | 153.8 | 50.3 | 0 | 0 | 0 | 0 | 108.5 | T150 | T150-T152 VanDerWaalsContact C-N 3.32Å; T150-T152 PolarHBondContact O-N 2.96Å | ||
| 153 | T | 47.2 | Very low | 53.7 | Low | 125 Ų | 125 | 119 Ų | 119 | 77% | 0.767 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -175.9 | 104.6 | 141.4 | 21.6 | 0 | 0 | 0 | 0 | 109.1 | A151 | A151-T153 VanDerWaalsContact C-N 3.34Š|
| 154 | T | 44.9 | Very low | 51.8 | Low | 121 Ų | 121 | 125.1 Ų | 125.1 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | trans | 80.8 | 115.2 | 140.7 | -13.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 155 | T | 50.2 | Low | 50.1 | Low | 115 Ų | 115 | 130.4 Ų | 130.4 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 94 | 103.1 | 145 | 4.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 156 | T | 47.9 | Very low | 48.7 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | 58.9 | 105.9 | 142 | 38.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 157 | S | 50.2 | Low | 47.9 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | -164.6 | 135.6 | 83.5 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 158 | L | 52.5 | Low | 47.5 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | -84.1 | 127 | -176.5 | -61.5 | 86.3 | 0 | 0 | 0 | 111.2 | ||||
| 159 | S | 56 | Low | 47.4 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -169.1 | 103.3 | 138.7 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 160 | S | 45.9 | Very low | 47.4 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 70.5 | 108.6 | 137.1 | -54 | 0 | 0 | 0 | 0 | 121 | ||||
| 161 | P | 48 | Very low | 47.5 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -97.6 | 109.4 | 161.7 | 33.8 | -21.4 | 0 | 0 | 0 | 110 | ||||
| 162 | H | 44.1 | Very low | 47.6 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -162.5 | 77.9 | 168.6 | -121.1 | -80 | 0 | 0 | 0 | 112.1 | ||||
| 163 | Q | 49.1 | Very low | 47.8 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -155.8 | 87.9 | 153.4 | -74 | -59.8 | 17.6 | 0 | 0 | 109 | ||||
| 164 | L | 46.7 | Very low | 47.6 | Very low | 172 Ų | 172 | 142 Ų | 142 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -79.3 | 140.1 | 157.7 | -79.3 | 164.9 | 0 | 0 | 0 | 108 | ||||
| 165 | L | 49.5 | Very low | 47.6 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | 79.3 | 73 | 159 | -155.2 | 69.8 | 0 | 0 | 0 | 118.8 | ||||
| 166 | R | 47.5 | Very low | 47.6 | Very low | 243 Ų | 243 | 142 Ų | 142 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -177.8 | 119.8 | 156.4 | -110.8 | 168.6 | -172.1 | -157.1 | -1.3 | 105.1 | ||||
| 167 | S | 47.6 | Very low | 47.9 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | cis | -159.2 | 122 | 47.2 | -57.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 168 | A | 48.8 | Very low | 48.2 | Very low | 101 Ų | 101 | 148 Ų | 148 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -77.6 | 152 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 169 | A | 47.6 | Very low | 48.9 | Very low | 83 Ų | 83 | 142 Ų | 142 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | trans | 91.5 | 136.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 170 | E | 44.7 | Very low | 49.6 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | 86.8 | 84.6 | 160.5 | -53.4 | 171.6 | 173 | 0 | 0 | 116.7 | ||||
| 171 | S | 44.8 | Very low | 51.2 | Low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -160.1 | 95.2 | 132.5 | -83.7 | 0 | 0 | 0 | 0 | 109.3 | T173 | S171-T173 PolarHBondContact O-N 3.44Š| ||
| 172 | E | 44.1 | Very low | 52.7 | Low | 197 Ų | 197 | 139.5 Ų | 139.5 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -55.4 | 117 | 164.3 | -58 | 176.2 | 112.2 | 0 | 0 | 109.2 | ||||
| 173 | T | 46.3 | Very low | 54 | Low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -128.8 | 102.5 | 159.4 | 56.8 | 0 | 0 | 0 | 0 | 107.3 | S171 G175 | S171-T173 PolarHBondContact O-N 3.44Å; T173-G175 PolarHBondContact O-N 3.33Å | ||
| 174 | A | 43.3 | Very low | 55 | Low | 116 Ų | 116 | 132.4 Ų | 132.4 | 96% | 0.959 | 73% | 0.734 | S | S | * | * | trans | -46.2 | 108.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 175 | G | 44.8 | Very low | 56.5 | Low | 57 Ų | 57 | 128.9 Ų | 128.9 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | trans | -151.7 | 99.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 107 | T173 E177 | T173-G175 PolarHBondContact O-N 3.33Å; G175-E177 PolarHBondContact O-N 3.07Å | ||
| 176 | E | 50.3 | Low | 57.6 | Low | 181 Ų | 181 | 126 Ų | 126 | 85% | 0.846 | 70% | 0.696 | S | S | * | * | trans | 7.1 | 84.7 | 159.1 | -59.1 | -96.3 | 112.2 | 0 | 0 | 113 | F178 | E176-F178 PolarHBondContact O-N 3.35Å; E176-F178 VanDerWaalsContact O-N 3.1Å | ||
| 177 | E | 54.8 | Low | 58.7 | Low | 180 Ų | 180 | 115.7 Ų | 115.7 | 84% | 0.841 | 66% | 0.659 | S | S | * | * | trans | -76.8 | 97.9 | -176.4 | -168.3 | 176.6 | 154.6 | 0 | 0 | 107.9 | G175 | G175-E177 PolarHBondContact O-N 3.07Š| ||
| 178 | F | 56.7 | Low | 59.9 | Low | 181 Ų | 181 | 116.8 Ų | 116.8 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 132.8 | 168.6 | -76.4 | -87.5 | 0 | 0 | 0 | 108.6 | E176 D180 | E176-F178 PolarHBondContact O-N 3.35Å; E176-F178 VanDerWaalsContact O-N 3.1Å; F178-D180 PolarHBondContact O-N 2.87Å |
| 179 | P | 65.5 | Low | 60.9 | Low | 42 Ų | 42 | 118.4 Ų | 118.4 | 27% | 0.273 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 134.3 | -179.9 | 22.3 | -32.1 | 0 | 0 | 0 | 110.2 | Q183 Y184 V199 | P179-Q183 HydrophobicContact CB-CB 4.06Å; P179-Q183 VanDerWaalsContact CB-OE1 3.3Å; P179-Y184 HydrophobicContact CG-CD2 4.07Å; P179-V199 HydrophobicContact CB-CG1 4.18Å; P179-V199 HydrophobicContact CG-CG1 4.23Å |
| 180 | D | 72.1 | Confident | 61.6 | Low | 111 Ų | 111 | 116 Ų | 116 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 147.4 | 174.7 | 177.2 | 50.4 | 0 | 0 | 0 | 110.6 | F178 G182 Q183 Y184 | F178-D180 PolarHBondContact O-N 2.87Å; D180-G182 PolarHBondContact O-N 3.3Å; D180-Q183 HydrophobicContact CB-CG 4.29Å; D180-Q183 WeakPolarHBondContact O-CA 3.37Å; D180-Q183 VanDerWaalsContact O-CB 3.31Å; D180-Q183 WeakPolarHBondContact O-CB 3.36Å; D180-Q183 PolarHBondContact O-N 2.97Å; D180-Y184 PolarHBondContact O-N 2.9Å; D180-Y184 VanDerWaalsContact O-N 3.15Å |
| 181 | L | 78.1 | Confident | 62.6 | Low | 139 Ų | 139 | 113.9 Ų | 113.9 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -56.8 | -30 | -173.5 | -176.1 | 63.2 | 0 | 0 | 0 | 112.3 | Y184 M185 | L181-Y184 PolarHBondContact O-N 3.37Å; L181-M185 PolarHBondContact O-N 2.93Å |
| 182 | G | 81 | Confident | 63.5 | Low | 47 Ų | 47 | 110.9 Ų | 110.9 | 49% | 0.485 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.4 | -36.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D180 M185 H186 | D180-G182 PolarHBondContact O-N 3.3Å; G182-M185 PolarHBondContact O-N 3.45Å; G182-H186 PolarHBondContact O-N 3.49Å |
| 183 | Q | 70 | Confident | 64.5 | Low | 94 Ų | 94 | 106 Ų | 106 | 44% | 0.439 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.5 | -40.9 | 174.7 | -60.3 | 176.1 | 3.9 | 0 | 0 | 110.3 | P179 D180 M185 H186 I187 | P179-Q183 HydrophobicContact CB-CB 4.06Å; P179-Q183 VanDerWaalsContact CB-OE1 3.3Å; D180-Q183 HydrophobicContact CB-CG 4.29Å; D180-Q183 WeakPolarHBondContact O-CA 3.37Å; D180-Q183 VanDerWaalsContact O-CB 3.31Å; D180-Q183 WeakPolarHBondContact O-CB 3.36Å; D180-Q183 PolarHBondContact O-N 2.97Å; Q183-M185 PolarHBondContact O-N 3Å; Q183-H186 PolarHBondContact O-N 3.38Å; Q183-I187 VanDerWaalsContact O-CD1 3.29Å; Q183-I187 WeakPolarHBondContact O-CD1 3.29Å; Q183-I187 WeakPolarHBondContact O-CG1 3.39Å; Q183-I187 PolarHBondContact O-N 2.89Å; Q183-I187 VanDerWaalsContact O-N 3.09Å |
| 184 | Y | 70.7 | Confident | 65.5 | Low | 131 Ų | 131 | 102.8 Ų | 102.8 | 51% | 0.514 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.7 | -40.8 | 177.1 | -142.7 | -88.9 | 0 | 0 | 0 | 112.6 | P179 D180 L181 H186 I187 L188 | P179-Y184 HydrophobicContact CG-CD2 4.07Å; D180-Y184 PolarHBondContact O-N 2.9Å; D180-Y184 VanDerWaalsContact O-N 3.15Å; L181-Y184 PolarHBondContact O-N 3.37Å; Y184-H186 VanDerWaalsContact C-N 3.31Å; Y184-H186 PolarHBondContact O-N 3.02Å; Y184-I187 PolarHBondContact O-N 3.26Å; Y184-L188 HydrophobicContact CD1-CD1 3.72Å; Y184-L188 HydrophobicContact CD1-CG 4.04Å; Y184-L188 HydrophobicContact CE1-CD1 4.02Å; Y184-L188 HydrophobicContact CE1-CD2 4.41Å; Y184-L188 HydrophobicContact CE1-CG 4.22Å; Y184-L188 WeakPolarHBondContact O-CG 3.48Å; Y184-L188 PolarHBondContact O-N 3.49Å |
| 185 | M | 78.1 | Confident | 66.5 | Low | 99 Ų | 99 | 99.4 Ų | 99.4 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.6 | -38 | 175.3 | -105.8 | -119.5 | 57.7 | 0 | 0 | 112.6 | L181 G182 Q183 Q189 | L181-M185 PolarHBondContact O-N 2.93Å; G182-M185 PolarHBondContact O-N 3.45Å; Q183-M185 PolarHBondContact O-N 3Å; M185-Q189 VanDerWaalsContact CE-CD 3.43Å; M185-Q189 HydrophobicContact CE-CG 3.91Å; M185-Q189 VanDerWaalsContact CE-NE2 3.33Å; M185-Q189 WeakPolarHBondContact O-CG 3.49Å; M185-Q189 PolarHBondContact O-N 3.11Å |
| 186 | H | 72.6 | Confident | 67.5 | Low | 110 Ų | 110 | 99.7 Ų | 99.7 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.2 | -40.3 | 178.7 | -162.8 | 60.9 | 0 | 0 | 0 | 112.2 | G182 Q183 Y184 Q189 S190 | G182-H186 PolarHBondContact O-N 3.49Å; Q183-H186 PolarHBondContact O-N 3.38Å; Y184-H186 VanDerWaalsContact C-N 3.31Å; Y184-H186 PolarHBondContact O-N 3.02Å; H186-Q189 PolarHBondContact O-N 3.29Å; H186-S190 PolarHBondContact O-N 3.09Å; H186-S190 VanDerWaalsContact O-N 3.07Å |
| 187 | I | 69.9 | Low | 68.2 | Low | 26 Ų | 26 | 99.4 Ų | 99.4 | 13% | 0.133 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 177 | -62.4 | 158.1 | 0 | 0 | 0 | 111.3 | Q183 Y184 Q189 S190 V196 V199 | Q183-I187 VanDerWaalsContact O-CD1 3.29Å; Q183-I187 WeakPolarHBondContact O-CD1 3.29Å; Q183-I187 WeakPolarHBondContact O-CG1 3.39Å; Q183-I187 PolarHBondContact O-N 2.89Å; Q183-I187 VanDerWaalsContact O-N 3.09Å; Y184-I187 PolarHBondContact O-N 3.26Å; I187-Q189 PolarHBondContact O-N 3.21Å; I187-S190 PolarHBondContact O-N 3.07Å; I187-V196 HydrophobicContact CG2-CB 4.36Å; I187-V196 HydrophobicContact CG2-CG1 3.31Å; I187-V199 HydrophobicContact CD1-CB 3.83Å; I187-V199 HydrophobicContact CD1-CG1 3.63Å; I187-V199 HydrophobicContact CD1-CG2 3.58Å; I187-V199 HydrophobicContact CG1-CG2 3.99Å |
| 188 | L | 73.1 | Confident | 68.7 | Low | 128 Ų | 128 | 91.9 Ų | 91.9 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -70.1 | -22.2 | 176.4 | -71.8 | 174.3 | 0 | 0 | 0 | 113.2 | Y184 | Y184-L188 HydrophobicContact CD1-CD1 3.72Å; Y184-L188 HydrophobicContact CD1-CG 4.04Å; Y184-L188 HydrophobicContact CE1-CD1 4.02Å; Y184-L188 HydrophobicContact CE1-CD2 4.41Å; Y184-L188 HydrophobicContact CE1-CG 4.22Å; Y184-L188 WeakPolarHBondContact O-CG 3.48Å; Y184-L188 PolarHBondContact O-N 3.49Å |
| 189 | Q | 70.6 | Confident | 69 | Low | 136 Ų | 136 | 85.5 Ų | 85.5 | 64% | 0.636 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -89 | -20.9 | 176.6 | -76.7 | 178 | -32 | 0 | 0 | 113.1 | M185 H186 I187 | M185-Q189 VanDerWaalsContact CE-CD 3.43Å; M185-Q189 HydrophobicContact CE-CG 3.91Å; M185-Q189 VanDerWaalsContact CE-NE2 3.33Å; M185-Q189 WeakPolarHBondContact O-CG 3.49Å; M185-Q189 PolarHBondContact O-N 3.11Å; H186-Q189 PolarHBondContact O-N 3.29Å; I187-Q189 PolarHBondContact O-N 3.21Å |
| 190 | S | 62.8 | Low | 68.9 | Low | 33 Ų | 33 | 87.9 Ų | 87.9 | 23% | 0.231 | 49% | 0.49 | C | S | . | . | trans | -89.5 | 119.9 | 177.1 | 91 | 0 | 0 | 0 | 0 | 110.6 | H186 I187 S192 D195 | H186-S190 PolarHBondContact O-N 3.09Å; H186-S190 VanDerWaalsContact O-N 3.07Å; I187-S190 PolarHBondContact O-N 3.07Å; S190-S192 PolarHBondContact O-N 3.21Å; S190-D195 VanDerWaalsContact CB-OD2 3.28Å; S190-D195 WeakPolarHBondContact CB-OD2 3.24Å; S190-D195 WeakPolarHBondContact OG-CB 3.2Å; S190-D195 PolarHBondContact OG-OD2 3.4Å | ||
| 191 | S | 64.2 | Low | 68.6 | Low | 138 Ų | 138 | 85.5 Ų | 85.5 | 97% | 0.965 | 49% | 0.486 | S | S | * | . | trans | -73.6 | 16.9 | 174.5 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 192 | S | 64.5 | Low | 67.8 | Low | 55 Ų | 55 | 82.1 Ų | 82.1 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | trans | -106.3 | 116.8 | -170.1 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | S190 A194 D195 | S190-S192 PolarHBondContact O-N 3.21Å; S192-A194 PolarHBondContact O-N 3.03Å; S192-D195 PolarHBondContact O-N 3.4Å; S192-D195 VanDerWaalsContact O-N 3.11Å | ||
| 193 | D | 65.9 | Low | 66.7 | Low | 94 Ų | 94 | 85.2 Ų | 85.2 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.1 | -17.5 | 175.3 | -158 | -104.1 | 0 | 0 | 0 | 112.8 | V196 R197 | D193-V196 WeakPolarHBondContact O-CG2 3.14Å; D193-R197 WeakPolarHBondContact O-CB 3.24Å; D193-R197 WeakPolarHBondContact O-CG 3.43Å; D193-R197 PolarHBondContact O-N 3.25Å; D193-R197 IonicContact OD1-CZ 2.91Å; D193-R197 VanDerWaalsContact OD1-CZ 3.23Å; D193-R197 IonicContact OD1-NE 3.23Å; D193-R197 PolarHBondContact OD1-NE 3.36Å; D193-R197 IonicContact OD1-NH1 2.85Å; D193-R197 PolarHBondContact OD1-NH1 3Å; D193-R197 IonicContact OD1-NH2 3.91Å |
| 194 | A | 66.7 | Low | 66 | Low | 61 Ų | 61 | 84.6 Ų | 84.6 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.3 | -34.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | S192 R197 A198 | S192-A194 PolarHBondContact O-N 3.03Å; A194-R197 PolarHBondContact O-N 3.15Å; A194-A198 WeakPolarHBondContact O-CB 3.5Å; A194-A198 PolarHBondContact O-N 3.34Å |
| 195 | D | 64.3 | Low | 65.2 | Low | 44 Ų | 44 | 83.4 Ų | 83.4 | 24% | 0.235 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -78.3 | -40.1 | -174.7 | -61.1 | -36.1 | 0 | 0 | 0 | 111.2 | S190 S192 R197 A198 V199 | S190-D195 VanDerWaalsContact CB-OD2 3.28Å; S190-D195 WeakPolarHBondContact CB-OD2 3.24Å; S190-D195 WeakPolarHBondContact OG-CB 3.2Å; S190-D195 PolarHBondContact OG-OD2 3.4Å; S192-D195 PolarHBondContact O-N 3.4Å; S192-D195 VanDerWaalsContact O-N 3.11Å; D195-R197 VanDerWaalsContact C-N 3.3Å; D195-R197 PolarHBondContact O-N 2.98Å; D195-A198 PolarHBondContact O-N 3.09Å; D195-V199 WeakPolarHBondContact O-CG2 3.42Å; D195-V199 PolarHBondContact O-N 2.97Å; D195-V199 VanDerWaalsContact O-N 3.09Å |
| 196 | V | 65 | Low | 64.1 | Low | 63 Ų | 63 | 85.5 Ų | 85.5 | 38% | 0.382 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 170.8 | -80.1 | 0 | 0 | 0 | 0 | 111.6 | I187 D193 A200 | I187-V196 HydrophobicContact CG2-CB 4.36Å; I187-V196 HydrophobicContact CG2-CG1 3.31Å; D193-V196 WeakPolarHBondContact O-CG2 3.14Å; V196-A200 VanDerWaalsContact O-CB 3.24Å; V196-A200 WeakPolarHBondContact O-CB 3.28Å; V196-A200 PolarHBondContact O-N 3.37Å |
| 197 | R | 66.5 | Low | 63.1 | Low | 175 Ų | 175 | 87.9 Ų | 87.9 | 66% | 0.66 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.7 | -37.9 | 176.7 | -81 | -174.6 | 175.8 | 151.7 | 5.5 | 113.2 | D193 A194 D195 A201 | D193-R197 WeakPolarHBondContact O-CB 3.24Å; D193-R197 WeakPolarHBondContact O-CG 3.43Å; D193-R197 PolarHBondContact O-N 3.25Å; D193-R197 IonicContact OD1-CZ 2.91Å; D193-R197 VanDerWaalsContact OD1-CZ 3.23Å; D193-R197 IonicContact OD1-NE 3.23Å; D193-R197 PolarHBondContact OD1-NE 3.36Å; D193-R197 IonicContact OD1-NH1 2.85Å; D193-R197 PolarHBondContact OD1-NH1 3Å; D193-R197 IonicContact OD1-NH2 3.91Å; A194-R197 PolarHBondContact O-N 3.15Å; D195-R197 VanDerWaalsContact C-N 3.3Å; D195-R197 PolarHBondContact O-N 2.98Å; R197-A201 VanDerWaalsContact O-CB 3.24Å; R197-A201 WeakPolarHBondContact O-CB 3.41Å; R197-A201 PolarHBondContact O-N 3.43Å |
| 198 | A | 65.6 | Low | 62.1 | Low | 22 Ų | 22 | 98.4 Ų | 98.4 | 18% | 0.182 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -64.7 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A194 D195 A201 G202 L203 | A194-A198 WeakPolarHBondContact O-CB 3.5Å; A194-A198 PolarHBondContact O-N 3.34Å; D195-A198 PolarHBondContact O-N 3.09Å; A198-A201 PolarHBondContact O-N 3.11Å; A198-G202 PolarHBondContact O-N 3.03Å; A198-L203 PolarHBondContact O-N 2.68Å |
| 199 | V | 62.5 | Low | 60.7 | Low | 48 Ų | 48 | 99.5 Ų | 99.5 | 29% | 0.291 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71 | -41.1 | 177.8 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | P179 I187 D195 A201 G202 | P179-V199 HydrophobicContact CB-CG1 4.18Å; P179-V199 HydrophobicContact CG-CG1 4.23Å; I187-V199 HydrophobicContact CD1-CB 3.83Å; I187-V199 HydrophobicContact CD1-CG1 3.63Å; I187-V199 HydrophobicContact CD1-CG2 3.58Å; I187-V199 HydrophobicContact CG1-CG2 3.99Å; D195-V199 WeakPolarHBondContact O-CG2 3.42Å; D195-V199 PolarHBondContact O-N 2.97Å; D195-V199 VanDerWaalsContact O-N 3.09Å; V199-A201 PolarHBondContact O-N 3.32Å; V199-G202 PolarHBondContact O-N 3.48Å; V199-G202 VanDerWaalsContact O-N 3.11Å |
| 200 | A | 62.9 | Low | 59.9 | Low | 91 Ų | 91 | 97.9 Ų | 97.9 | 75% | 0.752 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.2 | -26.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V196 G202 | V196-A200 VanDerWaalsContact O-CB 3.24Å; V196-A200 WeakPolarHBondContact O-CB 3.28Å; V196-A200 PolarHBondContact O-N 3.37Å; A200-G202 VanDerWaalsContact C-N 3.34Å |
| 201 | A | 66.3 | Low | 59.7 | Low | 62 Ų | 62 | 102.6 Ų | 102.6 | 51% | 0.512 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | 1.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R197 A198 V199 L203 | R197-A201 VanDerWaalsContact O-CB 3.24Å; R197-A201 WeakPolarHBondContact O-CB 3.41Å; R197-A201 PolarHBondContact O-N 3.43Å; A198-A201 PolarHBondContact O-N 3.11Å; V199-A201 PolarHBondContact O-N 3.32Å; A201-L203 HydrophobicContact CB-CD1 3.95Å; A201-L203 HydrophobicContact CB-CG 3.86Å; A201-L203 PolarHBondContact O-N 3.45Å; A201-L203 VanDerWaalsContact O-N 3.15Å |
| 202 | G | 61.8 | Low | 59.3 | Low | 67 Ų | 67 | 101.8 Ų | 101.8 | 69% | 0.691 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.2 | 21.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | A198 V199 A200 | A198-G202 PolarHBondContact O-N 3.03Å; V199-G202 PolarHBondContact O-N 3.48Å; V199-G202 VanDerWaalsContact O-N 3.11Å; A200-G202 VanDerWaalsContact C-N 3.34Å |
| 203 | L | 57.5 | Low | 58.7 | Low | 112 Ų | 112 | 106.3 Ų | 106.3 | 59% | 0.586 | 61% | 0.606 | S | S | * | * | trans | -84.6 | 124.7 | -178.6 | -70 | 175.9 | 0 | 0 | 0 | 108.7 | A198 A201 L205 | A198-L203 PolarHBondContact O-N 2.68Å; A201-L203 HydrophobicContact CB-CD1 3.95Å; A201-L203 HydrophobicContact CB-CG 3.86Å; A201-L203 PolarHBondContact O-N 3.45Å; A201-L203 VanDerWaalsContact O-N 3.15Å; L203-L205 PolarHBondContact O-N 3.46Å | ||
| 204 | P | 54.6 | Low | 57.8 | Low | 81 Ų | 81 | 105 Ų | 105 | 53% | 0.526 | 62% | 0.615 | S | S | . | * | trans | -56.7 | 130.2 | 175.9 | 20 | -30.3 | 0 | 0 | 0 | 109.9 | M206 | P204-M206 HydrophobicContact CB-CE 3.66Å; P204-M206 HydrophobicContact CB-CG 4.18Å; P204-M206 HydrophobicContact CB-SD 3.59Å; P204-M206 VanDerWaalsContact CB-SD 3.59Å; P204-M206 HydrophobicContact CG-CE 3.5Å; P204-M206 VanDerWaalsContact CG-CE 3.5Å; P204-M206 HydrophobicContact CG-SD 3.37Å; P204-M206 WeakPolarHBondContact CG-SD 3.37Å; P204-M206 PolarHBondContact O-N 2.74Å | ||
| 205 | L | 54.4 | Low | 56.9 | Low | 106 Ų | 106 | 114.1 Ų | 114.1 | 56% | 0.555 | 64% | 0.636 | S | S | * | * | trans | -69.5 | 63.3 | 175.7 | -164.1 | 79.9 | 0 | 0 | 0 | 109.5 | L203 N207 | L203-L205 PolarHBondContact O-N 3.46Å; L205-N207 PolarHBondContact O-N 3.36Å | ||
| 206 | M | 54.9 | Low | 56.3 | Low | 143 Ų | 143 | 120.2 Ų | 120.2 | 70% | 0.704 | 66% | 0.663 | S | S | * | * | trans | -82.4 | 109.4 | 175.2 | -72.7 | 136.9 | 168.7 | 0 | 0 | 108.2 | P204 R208 | P204-M206 HydrophobicContact CB-CE 3.66Å; P204-M206 HydrophobicContact CB-CG 4.18Å; P204-M206 HydrophobicContact CB-SD 3.59Å; P204-M206 VanDerWaalsContact CB-SD 3.59Å; P204-M206 HydrophobicContact CG-CE 3.5Å; P204-M206 VanDerWaalsContact CG-CE 3.5Å; P204-M206 HydrophobicContact CG-SD 3.37Å; P204-M206 WeakPolarHBondContact CG-SD 3.37Å; P204-M206 PolarHBondContact O-N 2.74Å; M206-R208 PolarHBondContact O-N 3.39Å | ||
| 207 | N | 51.4 | Low | 55.7 | Low | 161 Ų | 161 | 122.7 Ų | 122.7 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | trans | 6.6 | 82.5 | 150.7 | -80.5 | 9 | 0 | 0 | 0 | 114.3 | L205 L209 | L205-N207 PolarHBondContact O-N 3.36Å; N207-L209 PolarHBondContact O-N 2.9Å | ||
| 208 | R | 48.4 | Very low | 55.2 | Low | 247 Ų | 247 | 122.6 Ų | 122.6 | 93% | 0.932 | 68% | 0.681 | S | S | * | * | trans | -94.3 | 90.5 | 164.6 | -113.3 | -176.7 | -179.5 | 169.6 | 1.8 | 108.3 | M206 | M206-R208 PolarHBondContact O-N 3.39Š| ||
| 209 | L | 44.6 | Very low | 54.6 | Low | 151 Ų | 151 | 125.2 Ų | 125.2 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | -44.9 | 138.3 | 160.3 | -70.5 | 164.6 | 0 | 0 | 0 | 109.2 | N207 | N207-L209 PolarHBondContact O-N 2.9Š| ||
| 210 | P | 54 | Low | 54.1 | Low | 102 Ų | 102 | 128.9 Ų | 128.9 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | trans | -62.6 | 138.8 | 172.8 | 28.1 | -33.2 | 0 | 0 | 0 | 108.5 | V212 | P210-V212 PolarHBondContact O-N 2.89Š| ||
| 211 | P | 57.5 | Low | 53.8 | Low | 131 Ų | 131 | 129.8 Ų | 129.8 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | trans | -64.8 | 101 | 166.6 | 26.3 | -30.1 | 0 | 0 | 0 | 108.5 | ||||
| 212 | V | 57.1 | Low | 53.2 | Low | 121 Ų | 121 | 132.5 Ų | 132.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | -79.7 | 119.5 | 152.1 | 150.3 | 0 | 0 | 0 | 0 | 106.2 | P210 | P210-V212 PolarHBondContact O-N 2.89Š| ||
| 213 | D | 51.4 | Low | 52.9 | Low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | 147.9 | 110.4 | 156.9 | -83.1 | -35.2 | 0 | 0 | 0 | 106.7 | ||||
| 214 | G | 46.5 | Very low | 53.1 | Low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | cis | 89.7 | 84.1 | 44.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 215 | R | 48.3 | Very low | 53.2 | Low | 251 Ų | 251 | 136 Ų | 136 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | trans | -176.3 | 123.9 | 138.8 | -107.2 | 172.4 | 179.4 | 160.3 | 1.3 | 112.8 | ||||
| 216 | Q | 52 | Low | 53.7 | Low | 172 Ų | 172 | 134.3 Ų | 134.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -58 | 143.7 | 159.2 | -62.8 | 161 | -8.5 | 0 | 0 | 109 | ||||
| 217 | D | 51.9 | Low | 53.7 | Low | 116 Ų | 116 | 143.3 Ų | 143.3 | 62% | 0.62 | 82% | 0.82 | S | S | * | * | 169.5 | 125.5 | 118.4 | -93.5 | -155 | 0 | 0 | 0 | 112.6 | |||||
| 218 | H | 54.9 | Low | 53.8 | Low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | trans | 56.9 | 128 | 134.2 | -48 | -39.6 | 0 | 0 | 0 | 121.9 | ||||
| 219 | G | 53.1 | Low | 54.1 | Low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 167.7 | 69.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 220 | S | 51.9 | Low | 54.6 | Low | 125 Ų | 125 | 136.2 Ų | 136.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -63.6 | 129.8 | 173.7 | -49.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 221 | S | 58.5 | Low | 54.6 | Low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | 172.8 | 135.9 | 154.1 | 46.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 222 | S | 53.1 | Low | 54.5 | Low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | cis | -176.6 | 124.7 | 2.9 | 44.6 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 223 | A | 55.9 | Low | 54.3 | Low | 98 Ų | 98 | 139.8 Ų | 139.8 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -141.6 | 131.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 224 | S | 61.5 | Low | 54.5 | Low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | 74.2 | 99.9 | 142 | -170.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 225 | S | 56.5 | Low | 55.1 | Low | 124 Ų | 124 | 144.5 Ų | 144.5 | 87% | 0.867 | 84% | 0.837 | S | S | * | * | 78.2 | 121.1 | 82.1 | -159.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 226 | G | 63.8 | Low | 55.7 | Low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | 133.2 | 104 | 153.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 227 | R | 55.2 | Low | 56 | Low | 332 Ų | 332 | 132.4 Ų | 132.4 | 100% | 1.253 | 83% | 0.83 | S | S | * | * | trans | 75.3 | 0 | 154.7 | -92.2 | 177 | 171.1 | -138.8 | -1.9 | 120 |
Retrieved 227 of 227 residues in 98.1 ms
(Link to these results)