| 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 | 32.2 | Very low | 33.7 | Very low | 239 Ų | 239 | 143.7 Ų | 143.7 | 100% | 1.177 | 83% | 0.826 | S | S | * | * | 0 | 116.2 | 0 | -116.3 | 171.4 | -172.8 | 0 | 0 | 108.7 | |||||
| 2 | V | 31.5 | Very low | 34 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 72% | 0.721 | 84% | 0.835 | S | S | * | * | trans | 65.5 | 109.8 | 142.3 | -176.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 3 | R | 32.8 | Very low | 35 | Very low | 238 Ų | 238 | 151.8 Ų | 151.8 | 90% | 0.898 | 84% | 0.839 | S | S | * | * | trans | 66.9 | 150.6 | 135.9 | -68 | 177.4 | 171.9 | 175 | -6.2 | 119.1 | ||||
| 4 | A | 32.7 | Very low | 35.5 | Very low | 84 Ų | 84 | 150.1 Ų | 150.1 | 69% | 0.694 | 84% | 0.838 | S | S | * | * | cis | -157.3 | 142.4 | 32.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 5 | S | 35.4 | Very low | 35.6 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | 51.2 | 140.7 | 106.7 | -85.6 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 6 | C | 31.5 | Very low | 36 | Very low | 96 Ų | 96 | 144 Ų | 144 | 65% | 0.649 | 83% | 0.832 | S | S | * | * | cis | -171.7 | 153.4 | 15.4 | -119.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 7 | R | 36.3 | Very low | 36.4 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | trans | 79.7 | 132.5 | 139.9 | -70.6 | 177.7 | -164.2 | -125.8 | 2.6 | 123.8 | ||||
| 8 | L | 34.8 | Very low | 36.5 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | trans | -61.8 | 153.3 | 171.6 | -83.3 | 70.9 | 0 | 0 | 0 | 114.9 | ||||
| 9 | G | 32.2 | Very low | 36.5 | Very low | 81 Ų | 81 | 152.8 Ų | 152.8 | 84% | 0.835 | 85% | 0.845 | S | S | * | * | trans | -152.8 | 120.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | S | 36.2 | Very low | 36.6 | Very low | 116 Ų | 116 | 157.5 Ų | 157.5 | 81% | 0.811 | 85% | 0.849 | S | S | * | * | trans | -92.2 | 143.6 | -170.6 | -170.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 11 | A | 35.2 | Very low | 36.7 | Very low | 87 Ų | 87 | 156.2 Ų | 156.2 | 72% | 0.719 | 85% | 0.849 | S | S | * | * | trans | 31.7 | 126.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 12 | R | 37.7 | Very low | 36.7 | Very low | 250 Ų | 250 | 148.4 Ų | 148.4 | 94% | 0.943 | 83% | 0.83 | S | S | * | * | trans | -139.6 | 123.3 | 140.6 | -81.5 | -172.6 | 178 | -175.3 | -1.1 | 110.3 | ||||
| 13 | T | 46.9 | Very low | 36.8 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | trans | -78.3 | 143.2 | 168.4 | 32.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 14 | P | 41.1 | Very low | 36.8 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -108.5 | 139.8 | 162.9 | 6.5 | 14.6 | 0 | 0 | 0 | 112.7 | ||||
| 15 | G | 37 | Very low | 36.7 | Very low | 70 Ų | 70 | 150.1 Ų | 150.1 | 72% | 0.722 | 84% | 0.84 | S | S | * | * | trans | -76.8 | -170.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 16 | P | 42.4 | Very low | 36.6 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 134.1 | -160.1 | 31.8 | -33.4 | 0 | 0 | 0 | 113.3 | ||
| 17 | A | 43.3 | Very low | 36.5 | Very low | 105 Ų | 105 | 156.4 Ų | 156.4 | 87% | 0.868 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 133.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 18 | R | 38.6 | Very low | 36.3 | Very low | 246 Ų | 246 | 150.7 Ų | 150.7 | 93% | 0.928 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 147.6 | 177.7 | -77.1 | 177.8 | 169.7 | -162.7 | -2.4 | 113 | ||
| 19 | R | 35.4 | Very low | 36.4 | Very low | 249 Ų | 249 | 154.1 Ų | 154.1 | 94% | 0.94 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 147.6 | 173.3 | -68.7 | -178.9 | 173.4 | -156.6 | -1.7 | 113.4 | ||
| 20 | R | 38 | Very low | 36.7 | Very low | 246 Ų | 246 | 153.6 Ų | 153.6 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | trans | -113.2 | 148.7 | 155 | -77 | -172.3 | 174 | -167.4 | -0.9 | 110.4 | ||||
| 21 | P | 40.3 | Very low | 36.7 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | trans | -97.4 | 150.5 | -171 | 36.1 | -31 | 0 | 0 | 0 | 114 | ||||
| 22 | G | 31.7 | Very low | 36.8 | Very low | 75 Ų | 75 | 150.6 Ų | 150.6 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | 98.9 | 85.3 | 137.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 23 | V | 33.7 | Very low | 36.5 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | -127.8 | 109.7 | 142 | 179 | 0 | 0 | 0 | 0 | 107.1 | A25 | V23-A25 PolarHBondContact O-N 3.45Å; V23-A25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | R | 32.6 | Very low | 35.8 | Very low | 240 Ų | 240 | 138.1 Ų | 138.1 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -74.1 | 98.8 | 179.1 | 178.7 | -178 | -90.7 | -146.5 | -3 | 108.4 | S26 | R24-S26 PolarHBondContact O-N 3.43Š| ||
| 25 | A | 30.9 | Very low | 36.1 | Very low | 90 Ų | 90 | 135.3 Ų | 135.3 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -68.9 | 107 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | V23 R27 | V23-A25 PolarHBondContact O-N 3.45Å; V23-A25 VanDerWaalsContact O-N 3.14Å; A25-R27 PolarHBondContact O-N 3Å | ||
| 26 | S | 31.9 | Very low | 36.3 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -62.8 | 99.1 | 170.1 | 51.1 | 0 | 0 | 0 | 0 | 109.2 | R24 S28 | R24-S26 PolarHBondContact O-N 3.43Å; S26-S28 PolarHBondContact O-N 2.68Å; S26-S28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | R | 30.2 | Very low | 36.3 | Very low | 229 Ų | 229 | 129.5 Ų | 129.5 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -63.5 | 105.2 | 162.5 | -95.4 | 177.1 | 160.4 | 178.1 | -6 | 107.9 | A25 R29 | A25-R27 PolarHBondContact O-N 3Å; R27-R29 VanDerWaalsContact C-N 3.26Å; R27-R29 PolarHBondContact O-N 3.27Å | ||
| 28 | S | 32.1 | Very low | 36.3 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -64.3 | 89.3 | 162.2 | 48.6 | 0 | 0 | 0 | 0 | 108.6 | S26 G30 | S26-S28 PolarHBondContact O-N 2.68Å; S26-S28 VanDerWaalsContact O-N 3.08Å; S28-G30 PolarHBondContact O-N 2.82Å | ||
| 29 | R | 36.4 | Very low | 36.5 | Very low | 247 Ų | 247 | 116.3 Ų | 116.3 | 93% | 0.932 | 67% | 0.67 | S | S | * | * | trans | -72.8 | 81.9 | 158.1 | -82.9 | -176.7 | 171.7 | -175.9 | -1.8 | 107.4 | R27 | R27-R29 VanDerWaalsContact C-N 3.26Å; R27-R29 PolarHBondContact O-N 3.27Å | ||
| 30 | G | 39 | Very low | 37 | Very low | 71 Ų | 71 | 109.6 Ų | 109.6 | 73% | 0.732 | 65% | 0.645 | S | S | * | * | trans | -142.5 | 116 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S28 | S28-G30 PolarHBondContact O-N 2.82Š| ||
| 31 | G | 36.5 | Very low | 37.3 | Very low | 77 Ų | 77 | 105.4 Ų | 105.4 | 79% | 0.794 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 128.9 | 71.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 32 | A | 36.1 | Very low | 37.3 | Very low | 62 Ų | 62 | 104.2 Ų | 104.2 | 51% | 0.512 | 61% | 0.607 | S | S | . | * | S | Bend | trans | 172.8 | -47.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | G34 T35 V36 | A32-G34 VanDerWaalsContact C-N 3.34Å; A32-G34 PolarHBondContact O-N 2.86Å; A32-T35 PolarHBondContact O-N 3.24Å; A32-T35 PolarHBondContact O-OG1 3.13Å; A32-V36 PolarHBondContact O-N 3.01Å |
| 33 | A | 31.3 | Very low | 37.8 | Very low | 83 Ų | 83 | 102.6 Ų | 102.6 | 69% | 0.686 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.6 | -31.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S37 | A33-S37 PolarHBondContact O-N 3.36Å; A33-S37 PolarHBondContact O-OG 3.44Å |
| 34 | G | 32.7 | Very low | 38 | Very low | 48 Ų | 48 | 107 Ų | 107 | 50% | 0.495 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.4 | -32.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A32 S37 A38 | A32-G34 VanDerWaalsContact C-N 3.34Å; A32-G34 PolarHBondContact O-N 2.86Å; G34-S37 PolarHBondContact O-OG 3.02Å; G34-A38 WeakPolarHBondContact O-CB 3.05Å; G34-A38 PolarHBondContact O-N 3.24Å |
| 35 | T | 47.2 | Very low | 38.1 | Very low | 69 Ų | 69 | 105.1 Ų | 105.1 | 42% | 0.423 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -78.2 | -42 | -177.7 | 42.4 | 0 | 0 | 0 | 0 | 111.7 | A32 S37 A38 W39 | A32-T35 PolarHBondContact O-N 3.24Å; A32-T35 PolarHBondContact O-OG1 3.13Å; T35-S37 PolarHBondContact O-N 3.35Å; T35-A38 PolarHBondContact O-N 2.83Å; T35-W39 WeakPolarHBondContact O-CB 3.48Å; T35-W39 PolarHBondContact O-N 3.38Å |
| 36 | V | 41.5 | Very low | 37.9 | Very low | 41 Ų | 41 | 107.8 Ų | 107.8 | 25% | 0.248 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -64.3 | -39.7 | 175 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | A32 R40 | A32-V36 PolarHBondContact O-N 3.01Å; V36-R40 WeakPolarHBondContact O-CB 3.3Å; V36-R40 VanDerWaalsContact O-CG 3.3Å; V36-R40 WeakPolarHBondContact O-CG 3.24Å; V36-R40 PolarHBondContact O-N 3.29Å |
| 37 | S | 42.8 | Very low | 38 | Very low | 40 Ų | 40 | 106.2 Ų | 106.2 | 28% | 0.28 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75 | -31.6 | 177.9 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | A33 G34 T35 R41 | A33-S37 PolarHBondContact O-N 3.36Å; A33-S37 PolarHBondContact O-OG 3.44Å; G34-S37 PolarHBondContact O-OG 3.02Å; T35-S37 PolarHBondContact O-N 3.35Å; S37-R41 WeakPolarHBondContact O-CG 3.37Å; S37-R41 VanDerWaalsContact O-CZ 3.29Å; S37-R41 PolarHBondContact O-N 2.95Å; S37-R41 PolarHBondContact O-NE 3.18Å; S37-R41 PolarHBondContact O-NH2 3.3Å; S37-R41 PolarHBondContact OG-NH2 3.36Å |
| 38 | A | 44.1 | Very low | 38.1 | Very low | 50 Ų | 50 | 107.3 Ų | 107.3 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.9 | -39.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | G34 T35 R41 W42 | G34-A38 WeakPolarHBondContact O-CB 3.05Å; G34-A38 PolarHBondContact O-N 3.24Å; T35-A38 PolarHBondContact O-N 2.83Å; A38-R41 PolarHBondContact O-N 3.45Å; A38-W42 WeakPolarHBondContact O-CB 3.43Å; A38-W42 PolarHBondContact O-N 3.37Å |
| 39 | W | 43.1 | Very low | 38.1 | Very low | 24 Ų | 24 | 112.1 Ų | 112.1 | 9% | 0.091 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -70.9 | -42.3 | 176.8 | -169.9 | 75.3 | 0 | 0 | 0 | 112.2 | T35 R41 W42 C43 M171 I202 E206 | T35-W39 WeakPolarHBondContact O-CB 3.48Å; T35-W39 PolarHBondContact O-N 3.38Å; W39-R41 VanDerWaalsContact C-N 3.26Å; W39-R41 PolarHBondContact O-N 3.13Å; W39-W42 CarbonylContact O-C 3.6Å; W39-W42 WeakPolarHBondContact O-CA 2.93Å; W39-W42 WeakPolarHBondContact O-CB 3.38Å; W39-W42 PolarHBondContact O-N 2.88Å; W39-C43 PolarHBondContact O-N 2.86Å; W39-C43 PolarHBondContact O-SG 2.97Å; W39-C43 VanDerWaalsContact O-SG 3.37Å; W39-M171 HydrophobicContact CD2-SD 4.48Å; W39-M171 HydrophobicContact CE3-SD 4.47Å; W39-I202 HydrophobicContact CH2-CG2 3.8Å; W39-I202 HydrophobicContact CZ2-CG2 4.19Å; W39-E206 HydrophobicContact CH2-CG 3.69Å; W39-E206 WeakPolarHBondContact CH2-OE1 3.44Å; W39-E206 HydrophobicContact CZ3-CB 4.37Å; W39-E206 HydrophobicContact CZ3-CG 3.48Å; W39-E206 VanDerWaalsContact CZ3-CG 3.48Å; W39-E206 WeakPolarHBondContact CZ3-OE1 3.1Å |
| 40 | R | 44.1 | Very low | 38 | Very low | 107 Ų | 107 | 106.7 Ų | 106.7 | 40% | 0.404 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -55.4 | -40 | 170.2 | -75 | -176.1 | -173.5 | -65.7 | -1.6 | 112.3 | V36 W42 E206 | V36-R40 WeakPolarHBondContact O-CB 3.3Å; V36-R40 VanDerWaalsContact O-CG 3.3Å; V36-R40 WeakPolarHBondContact O-CG 3.24Å; V36-R40 PolarHBondContact O-N 3.29Å; R40-W42 VanDerWaalsContact C-N 3.3Å; R40-E206 IonicContact NH1-OE2 2.9Å; R40-E206 PolarHBondContact NH1-OE2 3.27Å; R40-E206 PolarHBondContact NH2-O 2.96Å |
| 41 | R | 44.5 | Very low | 37.7 | Very low | 159 Ų | 159 | 107.4 Ų | 107.4 | 60% | 0.6 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.8 | -26 | 173.4 | -77.5 | -176.7 | -71.8 | -99.6 | -3.7 | 113.4 | S37 A38 W39 | S37-R41 WeakPolarHBondContact O-CG 3.37Å; S37-R41 VanDerWaalsContact O-CZ 3.29Å; S37-R41 PolarHBondContact O-N 2.95Å; S37-R41 PolarHBondContact O-NE 3.18Å; S37-R41 PolarHBondContact O-NH2 3.3Å; S37-R41 PolarHBondContact OG-NH2 3.36Å; A38-R41 PolarHBondContact O-N 3.45Å; W39-R41 VanDerWaalsContact C-N 3.26Å; W39-R41 PolarHBondContact O-N 3.13Å |
| 42 | W | 41 | Very low | 37.6 | Very low | 105 Ų | 105 | 112.2 Ų | 112.2 | 40% | 0.398 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -83.3 | -35.9 | 179.1 | -165.6 | 87.5 | 0 | 0 | 0 | 112.5 | A38 W39 R40 W44 R45 W46 D140 | A38-W42 WeakPolarHBondContact O-CB 3.43Å; A38-W42 PolarHBondContact O-N 3.37Å; W39-W42 CarbonylContact O-C 3.6Å; W39-W42 WeakPolarHBondContact O-CA 2.93Å; W39-W42 WeakPolarHBondContact O-CB 3.38Å; W39-W42 PolarHBondContact O-N 2.88Å; R40-W42 VanDerWaalsContact C-N 3.3Å; W42-W44 VanDerWaalsContact C-N 3.3Å; W42-W44 PolarHBondContact O-N 3.25Å; W42-R45 CarbonylContact O-C 3.24Å; W42-R45 VanDerWaalsContact O-CA 3.24Å; W42-R45 WeakPolarHBondContact O-CA 3.4Å; W42-R45 VanDerWaalsContact O-CB 3.3Å; W42-R45 WeakPolarHBondContact O-CB 3.22Å; W42-R45 PolarHBondContact O-N 2.92Å; W42-W46 HydrophobicContact CE3-CE3 4.23Å; W42-W46 AromaticContact CH2-CE3 3.54Å; W42-W46 HydrophobicContact CH2-CE3 3.54Å; W42-W46 AromaticContact CH2-CZ3 3.33Å; W42-W46 HydrophobicContact CH2-CZ3 3.33Å; W42-W46 HydrophobicContact CZ2-CZ3 4.5Å; W42-W46 AromaticContact CZ3-CE3 3.35Å; W42-W46 HydrophobicContact CZ3-CE3 3.35Å; W42-W46 AromaticContact CZ3-CZ3 3.39Å; W42-W46 HydrophobicContact CZ3-CZ3 3.39Å; W42-W46 PolarHBondContact O-N 3.47Å; W42-D140 WeakPolarHBondContact CH2-OD2 3.36Å; W42-D140 WeakPolarHBondContact CZ3-OD2 3.29Å |
| 43 | C | 42.6 | Very low | 37.4 | Very low | 41 Ų | 41 | 115.4 Ų | 115.4 | 28% | 0.277 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.4 | -38.8 | 172.2 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | W39 R45 W46 E206 | W39-C43 PolarHBondContact O-N 2.86Å; W39-C43 PolarHBondContact O-SG 2.97Å; W39-C43 VanDerWaalsContact O-SG 3.37Å; C43-R45 PolarHBondContact O-N 3.38Å; C43-W46 WeakPolarHBondContact O-CB 3.01Å; C43-W46 PolarHBondContact O-N 2.92Å; C43-E206 PolarHBondContact SG-OE1 3.06Å; C43-E206 VanDerWaalsContact SG-OE1 3.36Å |
| 44 | W | 38 | Very low | 37.4 | Very low | 238 Ų | 238 | 115.3 Ų | 115.3 | 90% | 0.902 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -17.6 | 171.2 | -69.5 | 110.2 | 0 | 0 | 0 | 113.8 | W42 | W42-W44 VanDerWaalsContact C-N 3.3Å; W42-W44 PolarHBondContact O-N 3.25Å |
| 45 | R | 33.2 | Very low | 37.1 | Very low | 202 Ų | 202 | 116.6 Ų | 116.6 | 76% | 0.762 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -2.7 | 177.7 | -105.2 | 179.8 | 179.9 | -97.4 | 0.5 | 113.2 | W42 C43 P47 | W42-R45 CarbonylContact O-C 3.24Å; W42-R45 VanDerWaalsContact O-CA 3.24Å; W42-R45 WeakPolarHBondContact O-CA 3.4Å; W42-R45 VanDerWaalsContact O-CB 3.3Å; W42-R45 WeakPolarHBondContact O-CB 3.22Å; W42-R45 PolarHBondContact O-N 2.92Å; C43-R45 PolarHBondContact O-N 3.38Å; R45-P47 WeakPolarHBondContact O-CD 3.16Å; R45-P47 WeakPolarHBondContact O-CG 2.98Å |
| 46 | W | 27.6 | Very low | 36.2 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 55% | 0.553 | 62% | 0.623 | S | S | * | * | trans | -56.1 | 108.6 | 171.2 | -167.1 | -92.1 | 0 | 0 | 0 | 108.3 | W42 C43 | W42-W46 HydrophobicContact CE3-CE3 4.23Å; W42-W46 AromaticContact CH2-CE3 3.54Å; W42-W46 HydrophobicContact CH2-CE3 3.54Å; W42-W46 AromaticContact CH2-CZ3 3.33Å; W42-W46 HydrophobicContact CH2-CZ3 3.33Å; W42-W46 HydrophobicContact CZ2-CZ3 4.5Å; W42-W46 AromaticContact CZ3-CE3 3.35Å; W42-W46 HydrophobicContact CZ3-CE3 3.35Å; W42-W46 AromaticContact CZ3-CZ3 3.39Å; W42-W46 HydrophobicContact CZ3-CZ3 3.39Å; W42-W46 PolarHBondContact O-N 3.47Å; C43-W46 WeakPolarHBondContact O-CB 3.01Å; C43-W46 PolarHBondContact O-N 2.92Å | ||
| 47 | P | 33.7 | Very low | 35.6 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 49% | 0.494 | 66% | 0.656 | S | S | . | * | trans | -70.1 | 147.9 | -174.5 | -15.7 | 30.9 | 0 | 0 | 0 | 109.7 | R45 R49 | R45-P47 WeakPolarHBondContact O-CD 3.16Å; R45-P47 WeakPolarHBondContact O-CG 2.98Å; P47-R49 HydrophobicContact CB-CB 4.28Å; P47-R49 HydrophobicContact CB-CG 4.11Å; P47-R49 PolarHBondContact O-N 3Å | ||
| 48 | R | 32.5 | Very low | 35.1 | Very low | 253 Ų | 253 | 140.6 Ų | 140.6 | 96% | 0.955 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -57.7 | 62.9 | 157.9 | -67.1 | -179.1 | -176.1 | -179.3 | 0.6 | 111.3 | ||
| 49 | R | 33 | Very low | 34.8 | Very low | 215 Ų | 215 | 143.8 Ų | 143.8 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | trans | -133.4 | 54.7 | 179.1 | -73.4 | -167.2 | -153.8 | -123.9 | 3.3 | 111.3 | P47 | P47-R49 HydrophobicContact CB-CB 4.28Å; P47-R49 HydrophobicContact CB-CG 4.11Å; P47-R49 PolarHBondContact O-N 3Å | ||
| 50 | T | 34.2 | Very low | 34.6 | Very low | 133 Ų | 133 | 149 Ų | 149 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -153 | 59 | 147.8 | 38.6 | 0 | 0 | 0 | 0 | 107.7 | ||
| 51 | A | 33 | Very low | 33.9 | Very low | 86 Ų | 86 | 147 Ų | 147 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -150.5 | 54.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 52 | L | 33.5 | Very low | 33.2 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | trans | -148.6 | 80.7 | 162.7 | -78.9 | -179.2 | 0 | 0 | 0 | 110.2 | ||||
| 53 | S | 31.7 | Very low | 32.9 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -162.5 | 108 | 144.5 | 52.8 | 0 | 0 | 0 | 0 | 107.6 | ||
| 54 | G | 30.7 | Very low | 32.7 | Very low | 82 Ų | 82 | 152.7 Ų | 152.7 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 131.3 | 35.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R56 | G54-R56 PolarHBondContact O-N 3.24Š| ||
| 55 | G | 28.1 | Very low | 32.3 | Very low | 75 Ų | 75 | 144.4 Ų | 144.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -74 | 117.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 56 | R | 27.6 | Very low | 32.2 | Very low | 242 Ų | 242 | 141.7 Ų | 141.7 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | trans | -163.5 | 98 | 137.8 | -100.7 | 175.8 | -152.2 | -130.3 | 6 | 108.4 | G54 | G54-R56 PolarHBondContact O-N 3.24Š| ||
| 57 | R | 28.6 | Very low | 32.5 | Very low | 249 Ų | 249 | 142.6 Ų | 142.6 | 94% | 0.94 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 128.1 | 153.3 | -71.9 | -174.9 | -152.6 | -106.4 | -0.5 | 107 | ||
| 58 | L | 32.8 | Very low | 32.4 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 144.8 | 165.2 | -70.1 | 161.8 | 0 | 0 | 0 | 108.8 | ||
| 59 | P | 38.1 | Very low | 32.5 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 161.7 | 161.2 | 35.3 | -27.5 | 0 | 0 | 0 | 111.5 | ||
| 60 | P | 37.9 | Very low | 33.1 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 157.5 | -174.8 | 36.9 | -31.9 | 0 | 0 | 0 | 113.4 | ||
| 61 | G | 30.5 | Very low | 33.1 | Very low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 83% | 0.834 | S | S | * | * | trans | 131.3 | 115.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 62 | S | 28.8 | Very low | 34.2 | Very low | 128 Ų | 128 | 138 Ų | 138 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | 94.1 | 111.7 | 138.1 | -44.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 63 | L | 34.1 | Very low | 34 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | trans | -64.5 | 157.2 | 157.1 | -74.2 | 169.2 | 0 | 0 | 0 | 110.9 | ||||
| 64 | P | 39.5 | Very low | 34.1 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | -141.8 | 168.9 | 64.2 | 33.6 | -11.6 | 0 | 0 | 0 | 116.5 | |||||
| 65 | G | 28.8 | Very low | 34.1 | Very low | 64 Ų | 64 | 136.2 Ų | 136.2 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | -83.6 | 178.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 66 | T | 32.2 | Very low | 34.5 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | 175.2 | 154 | 129.5 | 30.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 67 | D | 33.2 | Very low | 34.7 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -66.9 | 160.8 | -167.8 | -55.4 | -73.3 | 0 | 0 | 0 | 116.3 | ||||
| 68 | G | 30.6 | Very low | 34.9 | Very low | 79 Ų | 79 | 132 Ų | 132 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | 148.2 | 102.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 69 | V | 35.5 | Very low | 34.9 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -111.8 | 150.1 | 162.4 | 172.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 70 | P | 45.6 | Very low | 34.6 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | cis | -142.4 | 162.7 | 39 | 20.2 | 7.8 | 0 | 0 | 0 | 119.8 | ||||
| 71 | R | 34.3 | Very low | 34.4 | Very low | 236 Ų | 236 | 133.7 Ų | 133.7 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | -9 | 176.6 | 142.2 | -96.5 | -177.3 | 154 | -180 | -5.2 | 120 | ||||
| 72 | P | 55.3 | Low | 35.4 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 63% | 0.63 | 83% | 0.826 | S | S | * | * | cis | -138.2 | 177.6 | -23.3 | 35.1 | -16.3 | 0 | 0 | 0 | 113.4 | ||||
| 73 | L | 31 | Very low | 35.5 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | 179.6 | 139.8 | 132 | -101.8 | 148.5 | 0 | 0 | 0 | 115.8 | ||||
| 74 | A | 32.9 | Very low | 35.2 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | 79.1 | 121.1 | 141 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 75 | A | 31.3 | Very low | 35.1 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | -66.5 | 161.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 76 | R | 35.1 | Very low | 35.8 | Very low | 250 Ų | 250 | 143.8 Ų | 143.8 | 94% | 0.943 | 83% | 0.828 | S | S | * | * | -174.8 | 141.2 | 117.9 | -98.8 | 169.5 | 98.3 | -145 | 4.4 | 112.5 | |||||
| 77 | S | 31.7 | Very low | 35.7 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -71.5 | 153.7 | 170.2 | -70.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 78 | A | 34.1 | Very low | 35.8 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | -156.8 | 130 | 141.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 79 | A | 32.4 | Very low | 36 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -96 | 152.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 80 | A | 30.9 | Very low | 35.8 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -168.2 | 134.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 81 | R | 35.2 | Very low | 35.1 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -90.4 | -153.6 | -179.4 | -63.6 | -177.1 | 173.3 | -168.9 | -0.2 | 111.5 | ||||
| 82 | P | 49.9 | Very low | 35.8 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 71% | 0.714 | 82% | 0.821 | S | S | * | * | -121 | -179.3 | -96.1 | 38.6 | -19.7 | 0 | 0 | 0 | 111.9 | |||||
| 83 | R | 31.1 | Very low | 35.3 | Very low | 221 Ų | 221 | 144.3 Ų | 144.3 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | 178.4 | 113.5 | 151.5 | -103.6 | 164 | -179.8 | 179 | 2.7 | 108.9 | ||||
| 84 | E | 29.1 | Very low | 36.1 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | 102.3 | 118.4 | 80.6 | -90.7 | -173.3 | -164.7 | 0 | 0 | 111.1 | |||||
| 85 | T | 37.8 | Very low | 36.3 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | trans | -85.7 | 150.6 | 171 | -18.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 86 | P | 43 | Very low | 36.9 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | -137.8 | 155.9 | 121 | 25.6 | -7.3 | 0 | 0 | 0 | 109.6 | |||||
| 87 | G | 29.9 | Very low | 36.8 | Very low | 65 Ų | 65 | 147.4 Ų | 147.4 | 67% | 0.67 | 84% | 0.835 | S | S | * | * | cis | 138.7 | 137.1 | 34.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 88 | H | 35.3 | Very low | 36.9 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | -60 | 153.4 | -163.6 | -63 | -90.4 | 0 | 0 | 0 | 116.8 | ||||
| 89 | T | 33.9 | Very low | 37.1 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -139.2 | 124 | 153 | -61.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 90 | Q | 33.2 | Very low | 37.2 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | trans | -127.3 | 131.7 | -176.5 | -148.1 | -174.5 | 34.3 | 0 | 0 | 106.9 | ||||
| 91 | L | 30 | Very low | 37.5 | Very low | 168 Ų | 168 | 158.1 Ų | 158.1 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -156.6 | 154.2 | 160 | -95.3 | 172.4 | 0 | 0 | 0 | 110.2 | ||||
| 92 | P | 48.8 | Very low | 37.8 | Very low | 108 Ų | 108 | 150.9 Ų | 150.9 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -102.3 | 179.5 | -154.4 | 46.1 | -39.6 | 0 | 0 | 0 | 112 | ||||
| 93 | P | 45 | Very low | 37.1 | Very low | 118 Ų | 118 | 154 Ų | 154 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | -152.8 | 161.1 | 77.7 | 35.3 | -13.1 | 0 | 0 | 0 | 116.5 | |||||
| 94 | G | 47.4 | Very low | 37.8 | Very low | 86 Ų | 86 | 151.8 Ų | 151.8 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | -70.7 | 123 | 160 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 95 | A | 36.8 | Very low | 37.9 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -141.7 | 113.1 | 160 | 0 | 0 | 0 | 0 | 0 | 108.2 | R97 | A95-R97 PolarHBondContact O-N 2.73Š| ||
| 96 | R | 43.8 | Very low | 38.4 | Very low | 253 Ų | 253 | 149.9 Ų | 149.9 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | trans | -64.4 | 127.2 | 175.1 | -69.9 | 176.3 | -176.5 | 175.9 | 1.2 | 109.4 | ||||
| 97 | R | 34.5 | Very low | 38.4 | Very low | 236 Ų | 236 | 149.3 Ų | 149.3 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -120.6 | 153.1 | 157.6 | -87.1 | -172.4 | 176.8 | -164.1 | 0.2 | 109.9 | A95 | A95-R97 PolarHBondContact O-N 2.73Š| ||
| 98 | P | 33.6 | Very low | 38.8 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -72.6 | 145.9 | -156.6 | -8.7 | 23.5 | 0 | 0 | 0 | 113.1 | L100 | P98-L100 PolarHBondContact O-N 3.37Š| ||
| 99 | R | 38.5 | Very low | 39 | Very low | 214 Ų | 214 | 149.5 Ų | 149.5 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -48.1 | 95 | 173.7 | -155.7 | -176.8 | -154.7 | -179.8 | 6.7 | 112 | K101 | R99-K101 HydrophobicContact CG-CG 4.31Å; R99-K101 PolarHBondContact O-N 3.25Å | ||
| 100 | L | 34.3 | Very low | 39.5 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -75.7 | 97.4 | 152.9 | -84.6 | 165.1 | 0 | 0 | 0 | 106.7 | P98 S102 | P98-L100 PolarHBondContact O-N 3.37Å; L100-S102 PolarHBondContact O-N 2.85Å | ||
| 101 | K | 36.8 | Very low | 39.8 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | trans | -67.9 | 79.9 | 160.3 | -88.8 | -176 | 170.8 | -172 | 0 | 107.8 | R99 | R99-K101 HydrophobicContact CG-CG 4.31Å; R99-K101 PolarHBondContact O-N 3.25Å | ||
| 102 | S | 40.6 | Very low | 40.3 | Very low | 90 Ų | 90 | 141.3 Ų | 141.3 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | -103.3 | 80.6 | 150.7 | -171.4 | 0 | 0 | 0 | 0 | 105.7 | L100 M104 | L100-S102 PolarHBondContact O-N 2.85Å; S102-M104 PolarHBondContact O-N 2.81Å; S102-M104 VanDerWaalsContact O-N 3.13Å | ||
| 103 | E | 36.6 | Very low | 40 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -84.2 | 75.7 | 167.3 | -154.9 | 163.6 | 171.2 | 0 | 0 | 106 | ||||
| 104 | M | 44.8 | Very low | 40.2 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | trans | -107.6 | 95.4 | 158.6 | -73.4 | -158.6 | -155.2 | 0 | 0 | 107.2 | S102 | S102-M104 PolarHBondContact O-N 2.81Å; S102-M104 VanDerWaalsContact O-N 3.13Å | ||
| 105 | A | 32.1 | Very low | 40.2 | Very low | 84 Ų | 84 | 143.4 Ų | 143.4 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | trans | -166.1 | 109.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 106 | F | 47 | Very low | 41.6 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | 72.6 | 128.9 | 90.1 | -166.6 | -104.8 | 0 | 0 | 0 | 110.5 | |||||
| 107 | N | 43.8 | Very low | 43.5 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | trans | 92.4 | 75.8 | 178.2 | -47.7 | -49.8 | 0 | 0 | 0 | 116.2 | ||||
| 108 | D | 38.6 | Very low | 46.3 | Very low | 172 Ų | 172 | 123.2 Ų | 123.2 | 92% | 0.92 | 66% | 0.661 | S | S | * | * | -120.1 | 99.8 | 120 | -89 | -34.8 | 0 | 0 | 0 | 107 | |||||
| 109 | C | 39.1 | Very low | 49.2 | Very low | 91 Ų | 91 | 121 Ų | 121 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | trans | -53.3 | 132.6 | -178.6 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | S111 | C109-S111 PolarHBondContact O-N 2.96Š| ||
| 110 | F | 44.2 | Very low | 51.9 | Low | 85 Ų | 85 | 113 Ų | 113 | 37% | 0.373 | 62% | 0.624 | S | S | . | * | trans | -39.9 | 111 | 157.4 | -78.6 | -99.1 | 0 | 0 | 0 | 108.7 | L112 N117 L174 | F110-L112 PolarHBondContact O-N 2.9Å; F110-N117 WeakPolarHBondContact CB-OD1 3.3Å; F110-L174 HydrophobicContact CE1-CD2 4.35Å | ||
| 111 | S | 39.6 | Very low | 54.8 | Low | 82 Ų | 82 | 105.1 Ų | 105.1 | 57% | 0.573 | 58% | 0.582 | S | S | * | * | trans | -50.3 | 134 | -172.7 | -67.2 | 0 | 0 | 0 | 0 | 112.1 | C109 N113 Y114 | C109-S111 PolarHBondContact O-N 2.96Å; S111-N113 PolarHBondContact O-N 3.15Å; S111-Y114 PolarHBondContact O-N 3.05Å | ||
| 112 | L | 40 | Very low | 57.7 | Low | 165 Ų | 165 | 98.8 Ų | 98.8 | 86% | 0.864 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 25.9 | -178.6 | -73.1 | 167.3 | 0 | 0 | 0 | 115.8 | F110 | F110-L112 PolarHBondContact O-N 2.9Š|
| 113 | N | 41.9 | Very low | 60.3 | Low | 148 Ų | 148 | 94.5 Ų | 94.5 | 79% | 0.791 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 3.8 | 174.7 | -71 | -14.8 | 0 | 0 | 0 | 113.1 | S111 | S111-N113 PolarHBondContact O-N 3.15Š|
| 114 | Y | 50.3 | Low | 63.1 | Low | 97 Ų | 97 | 86.1 Ų | 86.1 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -116.5 | 138.1 | -178 | -67.8 | -82 | 0 | 0 | 0 | 111.3 | S111 G116 Y183 | S111-Y114 PolarHBondContact O-N 3.05Å; Y114-G116 VanDerWaalsContact C-N 3.32Å; Y114-G116 PolarHBondContact O-N 2.9Å; Y114-Y183 WeakPolarHBondContact CE1-O 3.34Å |
| 115 | P | 46.6 | Very low | 65.5 | Low | 110 Ų | 110 | 78.6 Ų | 78.6 | 71% | 0.714 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -72.5 | 89.4 | -178.1 | 31.5 | -32.6 | 0 | 0 | 0 | 109.1 | ||
| 116 | G | 67.9 | Low | 68.3 | Low | 48 Ų | 48 | 74.6 Ų | 74.6 | 50% | 0.495 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 78.8 | 147.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y114 | Y114-G116 VanDerWaalsContact C-N 3.32Å; Y114-G116 PolarHBondContact O-N 2.9Å |
| 117 | N | 83.2 | Confident | 70.3 | Confident | 103 Ų | 103 | 69.1 Ų | 69.1 | 55% | 0.551 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 139.2 | 167.9 | -69.8 | 2.2 | 0 | 0 | 0 | 108.8 | F110 | F110-N117 WeakPolarHBondContact CB-OD1 3.3Š|
| 118 | P | 92 | Very high | 72.4 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 5% | 0.045 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -62 | 139.6 | 178.5 | 26.1 | -34.6 | 0 | 0 | 0 | 111.4 | I124 Y137 L174 I185 | P118-I124 HydrophobicContact CB-CD1 3.87Å; P118-Y137 HydrophobicContact CB-CD1 3.97Å; P118-Y137 HydrophobicContact CB-CD2 3.95Å; P118-Y137 HydrophobicContact CB-CE1 4.21Å; P118-Y137 HydrophobicContact CB-CE2 4.2Å; P118-Y137 HydrophobicContact CB-CG 3.81Å; P118-Y137 HydrophobicContact CG-CD1 4.35Å; P118-Y137 HydrophobicContact CG-CD2 3.78Å; P118-Y137 HydrophobicContact CG-CE1 4.19Å; P118-Y137 HydrophobicContact CG-CE2 3.6Å; P118-Y137 HydrophobicContact CG-CG 4.14Å; P118-Y137 WeakPolarHBondContact O-CE1 3.46Å; P118-L174 HydrophobicContact CG-CD2 4.06Å; P118-I185 HydrophobicContact CB-CD1 4Å; P118-I185 HydrophobicContact CB-CG1 4.15Å |
| 119 | C | 94.4 | Very high | 74.4 | Confident | 76 Ų | 76 | 63.3 Ų | 63.3 | 51% | 0.514 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 148.3 | 175.2 | -68.7 | 0 | 0 | 0 | 0 | 110.5 | G121 D122 Y137 | C119-G121 PolarHBondContact O-N 3.48Å; C119-D122 WeakPolarHBondContact CB-OD2 3.2Å; C119-D122 PolarHBondContact N-OD2 3.04Å; C119-D122 VanDerWaalsContact O-CB 3.22Å; C119-D122 WeakPolarHBondContact O-CB 3.49Å; C119-D122 VanDerWaalsContact O-CG 3.31Å; C119-D122 PolarHBondContact O-N 3.35Å; C119-Y137 VanDerWaalsContact C-CD1 3.44Å; C119-Y137 WeakPolarHBondContact O-CD1 3.32Å |
| 120 | P | 96.3 | Very high | 76.2 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 29% | 0.292 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 129.4 | 175 | -26.9 | 35.3 | 0 | 0 | 0 | 111.9 | V198 I202 | P120-V198 HydrophobicContact CB-CG1 3.81Å; P120-I202 HydrophobicContact CB-CD1 4.37Å |
| 121 | G | 95.7 | Very high | 77.9 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.6 | -18.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C119 Y137 R230 | C119-G121 PolarHBondContact O-N 3.48Å; G121-Y137 PolarHBondContact N-O 3.18Å; G121-R230 PolarHBondContact O-NH1 3.11Å |
| 122 | D | 96.9 | Very high | 80 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | trans | -63.1 | 138.6 | -178.3 | -78.2 | -20 | 0 | 0 | 0 | 113 | C119 Y137 I185 N187 R230 | C119-D122 WeakPolarHBondContact CB-OD2 3.2Å; C119-D122 PolarHBondContact N-OD2 3.04Å; C119-D122 VanDerWaalsContact O-CB 3.22Å; C119-D122 WeakPolarHBondContact O-CB 3.49Å; C119-D122 VanDerWaalsContact O-CG 3.31Å; C119-D122 PolarHBondContact O-N 3.35Å; D122-Y137 PolarHBondContact O-N 2.79Å; D122-I185 HydrophobicContact CB-CG2 3.95Å; D122-N187 PolarHBondContact OD1-ND2 3.18Å; D122-R230 IonicContact OD1-NH1 3.43Å | ||
| 123 | L | 95.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 129.5 | 171.2 | -56.5 | -173.7 | 0 | 0 | 0 | 109.5 | W134 L136 I185 N186 N187 V226 T227 R230 Y231 | L123-W134 HydrophobicContact CB-CE3 4.24Å; L123-W134 HydrophobicContact CB-CZ3 3.95Å; L123-W134 HydrophobicContact CD1-CZ3 4.32Å; L123-L136 HydrophobicContact CD2-CB 4.42Å; L123-L136 HydrophobicContact CD2-CD1 3.97Å; L123-L136 HydrophobicContact CD2-CG 4.38Å; L123-I185 CarbonylContact O-C 3.48Å; L123-I185 WeakPolarHBondContact O-CA 3.34Å; L123-N186 WeakPolarHBondContact CB-O 3.45Å; L123-N186 PolarHBondContact O-N 3.17Å; L123-N187 PolarHBondContact N-OD1 3.47Å; L123-V226 HydrophobicContact CD2-CB 3.87Å; L123-V226 HydrophobicContact CD2-CG2 3.86Å; L123-T227 HydrophobicContact CD1-CG2 4.28Å; L123-R230 HydrophobicContact CD2-CB 4.08Å; L123-Y231 HydrophobicContact CD1-CE2 4.12Å |
| 124 | I | 95.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.6 | 179 | -53.3 | -57.6 | 0 | 0 | 0 | 108.7 | P118 V126 W134 A135 V143 L174 Y183 I185 | P118-I124 HydrophobicContact CB-CD1 3.87Å; I124-V126 HydrophobicContact CG2-CG2 4.16Å; I124-W134 WeakPolarHBondContact O-CA 3.31Å; I124-A135 HydrophobicContact CB-CB 4.38Å; I124-A135 PolarHBondContact N-O 2.96Å; I124-A135 PolarHBondContact O-N 3.41Å; I124-V143 HydrophobicContact CG1-CG1 4.39Å; I124-L174 HydrophobicContact CG2-CD1 3.87Å; I124-Y183 HydrophobicContact CG2-CD2 3.68Å; I124-Y183 HydrophobicContact CG2-CG 4.18Å; I124-I185 HydrophobicContact CD1-CG1 3.91Å |
| 125 | E | 93.9 | Very high | 87 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117.5 | 173.3 | -174.8 | 177.3 | -163 | 0 | 0 | 109 | Q132 W134 Y183 R184 N186 | E125-Q132 HydrophobicContact CG-CB 4.27Å; E125-Q132 HydrophobicContact CG-CG 4.45Å; E125-W134 HydrophobicContact CB-CD2 4.43Å; E125-W134 HydrophobicContact CB-CE3 4.31Å; E125-W134 HydrophobicContact CB-CH2 4.02Å; E125-W134 HydrophobicContact CB-CZ2 4.1Å; E125-W134 HydrophobicContact CB-CZ3 4.12Å; E125-W134 HydrophobicContact CG-CH2 4.27Å; E125-W134 HydrophobicContact CG-CZ2 3.86Å; E125-Y183 CarbonylContact O-C 3.44Å; E125-Y183 WeakPolarHBondContact O-CA 3.39Å; E125-Y183 WeakPolarHBondContact O-CB 3.33Å; E125-R184 HydrophobicContact CB-CG 4.11Å; E125-R184 PolarHBondContact N-O 3.08Å; E125-R184 PolarHBondContact O-N 3.27Å; E125-R184 IonicContact OE1-NH2 2.86Å; E125-R184 IonicContact OE2-CZ 2.79Å; E125-R184 IonicContact OE2-NE 3.79Å; E125-R184 PolarHBondContact OE2-NE 2.99Å; E125-R184 IonicContact OE2-NH2 2.63Å; E125-R184 PolarHBondContact OE2-NH2 2.86Å; E125-N186 HydrophobicContact CB-CB 4.18Å; E125-N186 PolarHBondContact OE2-ND2 3.14Å |
| 126 | V | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.3 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | I124 R128 H133 V178 D181 | I124-V126 HydrophobicContact CG2-CG2 4.16Å; V126-R128 PolarHBondContact O-N 2.97Å; V126-H133 HydrophobicContact CB-CB 4.25Å; V126-H133 PolarHBondContact N-O 2.88Å; V126-H133 PolarHBondContact O-N 3.06Å; V126-V178 HydrophobicContact CG2-CG2 4.07Å; V126-D181 HydrophobicContact CG1-CB 4.11Å |
| 127 | F | 89.8 | Confident | 90.8 | Very high | 70 Ų | 70 | 34.9 Ų | 34.9 | 31% | 0.307 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 103.7 | -177 | -61.5 | -79.1 | 0 | 0 | 0 | 110.4 | Q132 D181 T182 R184 | F127-Q132 HydrophobicContact CD1-CG 4.43Å; F127-D181 WeakPolarHBondContact O-CB 3.46Å; F127-T182 WeakPolarHBondContact CD2-O 3.31Å; F127-T182 WeakPolarHBondContact CD2-OG1 3.33Å; F127-T182 PolarHBondContact N-O 3.26Å; F127-R184 HydrophobicContact CE2-CB 4.18Å; F127-R184 HydrophobicContact CE2-CG 3.74Å; F127-R184 HydrophobicContact CZ-CG 3.76Å |
| 128 | R | 87 | Confident | 91.4 | Very high | 58 Ų | 58 | 30.4 Ų | 30.4 | 22% | 0.219 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 153.2 | 174.5 | -54.5 | -63.3 | -157.6 | -169.9 | -2.4 | 110.5 | V126 G130 Y131 H133 V177 V178 D181 | V126-R128 PolarHBondContact O-N 2.97Å; R128-G130 PolarHBondContact O-N 3.39Å; R128-Y131 CarbonylContact C-O 3.59Å; R128-Y131 WeakPolarHBondContact CA-O 3.35Å; R128-Y131 HydrophobicContact CB-CD1 3.61Å; R128-Y131 HydrophobicContact CB-CD2 4.46Å; R128-Y131 HydrophobicContact CB-CE1 3.48Å; R128-Y131 VanDerWaalsContact CB-CE1 3.48Å; R128-Y131 HydrophobicContact CB-CE2 4.35Å; R128-Y131 HydrophobicContact CB-CG 4.13Å; R128-Y131 VanDerWaalsContact CB-O 3.23Å; R128-Y131 WeakPolarHBondContact CB-O 3.12Å; R128-Y131 HydrophobicContact CG-CD1 4.27Å; R128-Y131 HydrophobicContact CG-CD2 4.44Å; R128-Y131 HydrophobicContact CG-CE1 3.8Å; R128-Y131 HydrophobicContact CG-CE2 3.98Å; R128-Y131 PolarHBondContact N-O 3.34Å; R128-Y131 PolarHBondContact O-N 3.48Å; R128-H133 HydrophobicContact CG-CB 4.26Å; R128-V177 PolarHBondContact NH2-O 3.11Å; R128-V178 PolarHBondContact NH1-O 2.85Å; R128-D181 WeakPolarHBondContact CD-OD2 3.42Å; R128-D181 IonicContact CZ-OD2 2.72Å; R128-D181 IonicContact NE-OD2 3.52Å; R128-D181 IonicContact NH1-OD2 3.29Å; R128-D181 PolarHBondContact NH1-OD2 3.23Å |
| 129 | P | 79.9 | Confident | 91.4 | Very high | 107 Ų | 107 | 30.3 Ų | 30.3 | 70% | 0.695 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 113.9 | 167.5 | -23.5 | 34.3 | 0 | 0 | 0 | 110.5 | ||
| 130 | G | 77.8 | Confident | 91.2 | Very high | 78 Ų | 78 | 31 Ų | 31 | 80% | 0.804 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | -5.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | R128 | R128-G130 PolarHBondContact O-N 3.39Š|
| 131 | Y | 79.3 | Confident | 91 | Very high | 40 Ų | 40 | 29.6 Ų | 29.6 | 16% | 0.157 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 164.7 | 175.3 | 77 | -78 | 0 | 0 | 0 | 114.2 | R128 H133 F156 V219 | R128-Y131 CarbonylContact C-O 3.59Å; R128-Y131 WeakPolarHBondContact CA-O 3.35Å; R128-Y131 HydrophobicContact CB-CD1 3.61Å; R128-Y131 HydrophobicContact CB-CD2 4.46Å; R128-Y131 HydrophobicContact CB-CE1 3.48Å; R128-Y131 VanDerWaalsContact CB-CE1 3.48Å; R128-Y131 HydrophobicContact CB-CE2 4.35Å; R128-Y131 HydrophobicContact CB-CG 4.13Å; R128-Y131 VanDerWaalsContact CB-O 3.23Å; R128-Y131 WeakPolarHBondContact CB-O 3.12Å; R128-Y131 HydrophobicContact CG-CD1 4.27Å; R128-Y131 HydrophobicContact CG-CD2 4.44Å; R128-Y131 HydrophobicContact CG-CE1 3.8Å; R128-Y131 HydrophobicContact CG-CE2 3.98Å; R128-Y131 PolarHBondContact N-O 3.34Å; R128-Y131 PolarHBondContact O-N 3.48Å; Y131-H133 HydrophobicContact CE2-CB 3.99Å; Y131-F156 AromaticContact CD1-CE2 3.89Å; Y131-F156 HydrophobicContact CD1-CE2 3.89Å; Y131-F156 AromaticContact CD1-CZ 3.48Å; Y131-F156 HydrophobicContact CD1-CZ 3.48Å; Y131-F156 VanDerWaalsContact CD1-CZ 3.48Å; Y131-F156 HydrophobicContact CE1-CE2 4.06Å; Y131-F156 HydrophobicContact CE1-CZ 4.02Å; Y131-F156 HydrophobicContact CG-CZ 4.14Å; Y131-V219 HydrophobicContact CD2-CG2 4.2Å; Y131-V219 HydrophobicContact CG-CG2 4.4Å |
| 132 | Q | 84.5 | Confident | 91 | Very high | 78 Ų | 78 | 32.7 Ų | 32.7 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.3 | 173.6 | -66.2 | 75.1 | 18.7 | 0 | 0 | 109.6 | E125 F127 | E125-Q132 HydrophobicContact CG-CB 4.27Å; E125-Q132 HydrophobicContact CG-CG 4.45Å; F127-Q132 HydrophobicContact CD1-CG 4.43Å |
| 133 | H | 90.4 | Very high | 91 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 137.6 | 175.3 | -177.7 | 70.9 | 0 | 0 | 0 | 109.9 | V126 R128 Y131 N145 | V126-H133 HydrophobicContact CB-CB 4.25Å; V126-H133 PolarHBondContact N-O 2.88Å; V126-H133 PolarHBondContact O-N 3.06Å; R128-H133 HydrophobicContact CG-CB 4.26Å; Y131-H133 HydrophobicContact CE2-CB 3.99Å; H133-N145 PolarHBondContact NE2-ND2 3.02Å |
| 134 | W | 92.7 | Very high | 90.9 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138.3 | -178.2 | -73.4 | 85 | 0 | 0 | 0 | 111.2 | L123 I124 E125 N186 K188 C222 E223 V226 | L123-W134 HydrophobicContact CB-CE3 4.24Å; L123-W134 HydrophobicContact CB-CZ3 3.95Å; L123-W134 HydrophobicContact CD1-CZ3 4.32Å; I124-W134 WeakPolarHBondContact O-CA 3.31Å; E125-W134 HydrophobicContact CB-CD2 4.43Å; E125-W134 HydrophobicContact CB-CE3 4.31Å; E125-W134 HydrophobicContact CB-CH2 4.02Å; E125-W134 HydrophobicContact CB-CZ2 4.1Å; E125-W134 HydrophobicContact CB-CZ3 4.12Å; E125-W134 HydrophobicContact CG-CH2 4.27Å; E125-W134 HydrophobicContact CG-CZ2 3.86Å; W134-N186 HydrophobicContact CH2-CB 3.9Å; W134-N186 WeakPolarHBondContact CH2-ND2 3.36Å; W134-N186 HydrophobicContact CZ3-CB 4.09Å; W134-K188 HydrophobicContact CH2-CD 4.25Å; W134-C222 HydrophobicContact CB-CB 3.95Å; W134-E223 HydrophobicContact CD2-CB 4.38Å; W134-E223 HydrophobicContact CD2-CG 4.32Å; W134-E223 HydrophobicContact CG-CB 4.01Å; W134-E223 HydrophobicContact CG-CG 4.46Å; W134-V226 HydrophobicContact CB-CG1 4.47Å; W134-V226 HydrophobicContact CB-CG2 3.93Å; W134-V226 HydrophobicContact CE3-CG2 4.21Å |
| 135 | A | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 160.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I124 V143 I144 N145 | I124-A135 HydrophobicContact CB-CB 4.38Å; I124-A135 PolarHBondContact N-O 2.96Å; I124-A135 PolarHBondContact O-N 3.41Å; A135-V143 HydrophobicContact CB-CB 4.02Å; A135-V143 HydrophobicContact CB-CG1 4.41Å; A135-V143 HydrophobicContact CB-CG2 4.2Å; A135-I144 WeakPolarHBondContact CA-O 3.33Å; A135-N145 HydrophobicContact CB-CB 4.12Å |
| 136 | L | 96.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.5 | 174.3 | -178.9 | 149.3 | 0 | 0 | 0 | 109.4 | L123 L138 V143 I144 I201 V226 L229 R230 | L123-L136 HydrophobicContact CD2-CB 4.42Å; L123-L136 HydrophobicContact CD2-CD1 3.97Å; L123-L136 HydrophobicContact CD2-CG 4.38Å; L136-L138 HydrophobicContact CD2-CD2 3.62Å; L136-V143 CarbonylContact O-C 3.51Å; L136-V143 WeakPolarHBondContact O-CA 3.22Å; L136-V143 WeakPolarHBondContact O-CB 3.46Å; L136-I144 HydrophobicContact CB-CG2 3.74Å; L136-I144 HydrophobicContact CD2-CG2 4.02Å; L136-I144 HydrophobicContact CG-CG2 4.48Å; L136-I144 PolarHBondContact N-O 2.85Å; L136-I144 PolarHBondContact O-N 2.74Å; L136-I201 HydrophobicContact CD1-CG2 3.69Å; L136-I201 HydrophobicContact CD2-CG2 3.8Å; L136-I201 HydrophobicContact CG-CG2 4.35Å; L136-V226 HydrophobicContact CB-CB 4.13Å; L136-V226 HydrophobicContact CB-CG1 4.07Å; L136-L229 HydrophobicContact CD1-CB 3.87Å; L136-R230 HydrophobicContact CD1-CB 4.04Å |
| 137 | Y | 97.4 | Very high | 89.8 | Confident | 18 Ų | 18 | 32 Ų | 32 | 7% | 0.071 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 129.3 | -178 | -171.2 | -101.4 | 0 | 0 | 0 | 111.6 | P118 C119 G121 D122 D140 G141 Y142 V143 L174 | P118-Y137 HydrophobicContact CB-CD1 3.97Å; P118-Y137 HydrophobicContact CB-CD2 3.95Å; P118-Y137 HydrophobicContact CB-CE1 4.21Å; P118-Y137 HydrophobicContact CB-CE2 4.2Å; P118-Y137 HydrophobicContact CB-CG 3.81Å; P118-Y137 HydrophobicContact CG-CD1 4.35Å; P118-Y137 HydrophobicContact CG-CD2 3.78Å; P118-Y137 HydrophobicContact CG-CE1 4.19Å; P118-Y137 HydrophobicContact CG-CE2 3.6Å; P118-Y137 HydrophobicContact CG-CG 4.14Å; P118-Y137 WeakPolarHBondContact O-CE1 3.46Å; C119-Y137 VanDerWaalsContact C-CD1 3.44Å; C119-Y137 WeakPolarHBondContact O-CD1 3.32Å; G121-Y137 PolarHBondContact N-O 3.18Å; D122-Y137 PolarHBondContact O-N 2.79Å; Y137-D140 PolarHBondContact OH-N 3.25Å; Y137-G141 PolarHBondContact OH-N 2.91Å; Y137-Y142 WeakPolarHBondContact CD2-O 3.46Å; Y137-V143 HydrophobicContact CD2-CG1 3.95Å; Y137-L174 HydrophobicContact CD2-CD2 4.34Å; Y137-L174 HydrophobicContact CE2-CD2 4.3Å |
| 138 | L | 96.1 | Very high | 88.8 | Confident | 9 Ų | 9 | 30.2 Ų | 30.2 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -11.3 | -176.8 | -61.5 | -178.5 | 0 | 0 | 0 | 113.6 | L136 Y142 I144 M171 I202 I209 | L136-L138 HydrophobicContact CD2-CD2 3.62Å; L138-Y142 PolarHBondContact N-O 3.46Å; L138-I144 HydrophobicContact CD1-CB 4.05Å; L138-I144 HydrophobicContact CD1-CG2 4.49Å; L138-I144 HydrophobicContact CD2-CB 4.46Å; L138-I144 HydrophobicContact CD2-CG2 4.01Å; L138-I144 HydrophobicContact CG-CB 4.34Å; L138-I144 HydrophobicContact CG-CG2 4.3Å; L138-M171 HydrophobicContact CD1-CG 4.03Å; L138-M171 HydrophobicContact CD1-SD 4.07Å; L138-I202 HydrophobicContact CB-CD1 4.17Å; L138-I202 HydrophobicContact CD2-CD1 3.68Å; L138-I209 HydrophobicContact CD1-CD1 4.49Å |
| 139 | G | 92.6 | Very high | 87.6 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 110.6 | 161.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G141 Y142 | G139-G141 PolarHBondContact O-N 3.45Å; G139-Y142 WeakPolarHBondContact O-CB 3.43Å; G139-Y142 PolarHBondContact O-N 3.22Å |
| 140 | D | 91.3 | Very high | 86.4 | Confident | 91 Ų | 91 | 30.4 Ų | 30.4 | 49% | 0.487 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 31.4 | 173.5 | -53 | -46.1 | 0 | 0 | 0 | 115.5 | W42 Y137 Y142 | W42-D140 WeakPolarHBondContact CH2-OD2 3.36Å; W42-D140 WeakPolarHBondContact CZ3-OD2 3.29Å; Y137-D140 PolarHBondContact OH-N 3.25Å; D140-Y142 VanDerWaalsContact C-N 3.29Å; D140-Y142 HydrophobicContact CB-CD2 4.26Å; D140-Y142 WeakPolarHBondContact O-CD2 3.39Å; D140-Y142 PolarHBondContact O-N 3.43Å |
| 141 | G | 91.7 | Very high | 85 | Confident | 15 Ų | 15 | 31 Ų | 31 | 16% | 0.155 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 10.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y137 G139 L173 L174 | Y137-G141 PolarHBondContact OH-N 2.91Å; G139-G141 PolarHBondContact O-N 3.45Å; G141-L173 CarbonylContact O-C 3.51Å; G141-L173 WeakPolarHBondContact O-CA 3.46Å; G141-L174 WeakPolarHBondContact O-CB 3.36Å; G141-L174 PolarHBondContact O-N 2.76Å |
| 142 | Y | 95.6 | Very high | 83.5 | Confident | 65 Ų | 65 | 35.2 Ų | 35.2 | 26% | 0.255 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 146.2 | 175.9 | -71 | -85 | 0 | 0 | 0 | 112.4 | Y137 L138 G139 D140 M171 Q172 L173 | Y137-Y142 WeakPolarHBondContact CD2-O 3.46Å; L138-Y142 PolarHBondContact N-O 3.46Å; G139-Y142 WeakPolarHBondContact O-CB 3.43Å; G139-Y142 PolarHBondContact O-N 3.22Å; D140-Y142 VanDerWaalsContact C-N 3.29Å; D140-Y142 HydrophobicContact CB-CD2 4.26Å; D140-Y142 WeakPolarHBondContact O-CD2 3.39Å; D140-Y142 PolarHBondContact O-N 3.43Å; Y142-M171 HydrophobicContact CD1-CE 4.25Å; Y142-M171 HydrophobicContact CD1-CG 4.05Å; Y142-M171 HydrophobicContact CD1-SD 4.46Å; Y142-M171 HydrophobicContact CE1-CE 4.42Å; Y142-Q172 CarbonylContact C-O 3.58Å; Y142-Q172 WeakPolarHBondContact CA-O 3.17Å; Y142-L173 HydrophobicContact CD1-CD2 3.97Å; Y142-L173 HydrophobicContact CD1-CG 4.41Å; Y142-L173 HydrophobicContact CD2-CD2 4.35Å; Y142-L173 HydrophobicContact CE1-CD2 3.56Å; Y142-L173 HydrophobicContact CE1-CG 3.95Å; Y142-L173 HydrophobicContact CE2-CD2 3.99Å; Y142-L173 HydrophobicContact CG-CD2 4.35Å |
| 143 | V | 96.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.1 | 173 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | I124 A135 L136 Y137 M171 Q172 L174 V177 | I124-V143 HydrophobicContact CG1-CG1 4.39Å; A135-V143 HydrophobicContact CB-CB 4.02Å; A135-V143 HydrophobicContact CB-CG1 4.41Å; A135-V143 HydrophobicContact CB-CG2 4.2Å; L136-V143 CarbonylContact O-C 3.51Å; L136-V143 WeakPolarHBondContact O-CA 3.22Å; L136-V143 WeakPolarHBondContact O-CB 3.46Å; Y137-V143 HydrophobicContact CD2-CG1 3.95Å; V143-M171 CarbonylContact O-C 3.48Å; V143-M171 WeakPolarHBondContact O-CA 3.46Å; V143-Q172 PolarHBondContact N-O 3.45Å; V143-Q172 PolarHBondContact O-N 3.18Å; V143-L174 HydrophobicContact CG1-CB 3.98Å; V143-L174 HydrophobicContact CG1-CD1 3.82Å; V143-L174 HydrophobicContact CG1-CG 4.39Å; V143-V177 HydrophobicContact CG2-CB 4.1Å; V143-V177 HydrophobicContact CG2-CG1 4.45Å; V143-V177 HydrophobicContact CG2-CG2 3.64Å |
| 144 | I | 94.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.1 | 166.2 | -169 | 171.6 | 0 | 0 | 0 | 110.3 | A135 L136 L138 V169 K170 S205 V208 I209 F225 L229 | A135-I144 WeakPolarHBondContact CA-O 3.33Å; L136-I144 HydrophobicContact CB-CG2 3.74Å; L136-I144 HydrophobicContact CD2-CG2 4.02Å; L136-I144 HydrophobicContact CG-CG2 4.48Å; L136-I144 PolarHBondContact N-O 2.85Å; L136-I144 PolarHBondContact O-N 2.74Å; L138-I144 HydrophobicContact CD1-CB 4.05Å; L138-I144 HydrophobicContact CD1-CG2 4.49Å; L138-I144 HydrophobicContact CD2-CB 4.46Å; L138-I144 HydrophobicContact CD2-CG2 4.01Å; L138-I144 HydrophobicContact CG-CB 4.34Å; L138-I144 HydrophobicContact CG-CG2 4.3Å; I144-V169 HydrophobicContact CD1-CG1 3.57Å; I144-V169 HydrophobicContact CG1-CG1 3.66Å; I144-K170 WeakPolarHBondContact CA-O 3.29Å; I144-S205 WeakPolarHBondContact CD1-O 3.45Å; I144-V208 HydrophobicContact CD1-CG2 3.8Å; I144-I209 HydrophobicContact CD1-CD1 4.4Å; I144-I209 HydrophobicContact CD1-CG1 3.69Å; I144-I209 HydrophobicContact CG1-CG1 4.32Å; I144-F225 HydrophobicContact CD1-CE1 4.36Å; I144-F225 HydrophobicContact CD1-CZ 4Å; I144-F225 HydrophobicContact CG1-CE1 4.08Å; I144-F225 HydrophobicContact CG1-CZ 4.15Å; I144-L229 HydrophobicContact CD1-CD1 4.16Å; I144-L229 HydrophobicContact CG2-CD1 3.87Å |
| 145 | N | 91.4 | Very high | 77 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 160.6 | 177.1 | 64.4 | -34.5 | 0 | 0 | 0 | 111.1 | H133 A135 K170 Q172 | H133-N145 PolarHBondContact NE2-ND2 3.02Å; A135-N145 HydrophobicContact CB-CB 4.12Å; N145-K170 PolarHBondContact N-O 3.28Å; N145-K170 PolarHBondContact O-N 3.38Å; N145-K170 PolarHBondContact OD1-O 2.72Å; N145-Q172 PolarHBondContact ND2-OE1 2.9Å; N145-Q172 VanDerWaalsContact ND2-OE1 3.11Å; N145-Q172 PolarHBondContact OD1-OE1 2.93Å; N145-Q172 VanDerWaalsContact OD1-OE1 3.07Å |
| 146 | I | 85.6 | Confident | 74.5 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.3 | 166.4 | -64.4 | 174.8 | 0 | 0 | 0 | 108 | A167 V169 V213 Y215 F225 | I146-A167 HydrophobicContact CG2-CB 3.37Å; I146-V169 HydrophobicContact CG1-CG2 4.34Å; I146-V213 HydrophobicContact CD1-CG2 4.18Å; I146-V213 HydrophobicContact CG1-CG2 4.42Å; I146-V213 HydrophobicContact CG2-CG2 4.09Å; I146-Y215 HydrophobicContact CD1-CD1 4.34Å; I146-Y215 HydrophobicContact CD1-CE1 3.69Å; I146-Y215 HydrophobicContact CG2-CD1 4.08Å; I146-Y215 HydrophobicContact CG2-CE1 4.32Å; I146-F225 HydrophobicContact CD1-CB 3.44Å; I146-F225 VanDerWaalsContact CD1-CB 3.44Å; I146-F225 HydrophobicContact CD1-CD1 4.01Å; I146-F225 HydrophobicContact CD1-CD2 3.77Å; I146-F225 HydrophobicContact CD1-CG 3.45Å; I146-F225 VanDerWaalsContact CD1-CG 3.45Å; I146-F225 HydrophobicContact CG1-CB 4.18Å; I146-F225 HydrophobicContact CG1-CD1 3.78Å; I146-F225 HydrophobicContact CG1-CD2 4.09Å; I146-F225 HydrophobicContact CG1-CE1 4.16Å; I146-F225 HydrophobicContact CG1-CE2 4.45Å; I146-F225 HydrophobicContact CG1-CG 3.73Å; I146-F225 HydrophobicContact CG1-CZ 4.48Å |
| 147 | A | 78.9 | Confident | 71.6 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 143.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | V149 A167 L168 K170 | A147-V149 PolarHBondContact O-N 2.86Å; A147-A167 CarbonylContact O-C 3.58Å; A147-A167 WeakPolarHBondContact O-CA 3.18Å; A147-L168 PolarHBondContact N-O 3.13Å; A147-L168 PolarHBondContact O-N 2.9Å; A147-K170 HydrophobicContact CB-CD 3.77Å; A147-K170 HydrophobicContact CB-CG 4.22Å |
| 148 | P | 69.8 | Low | 68.8 | Low | 34 Ų | 34 | 57.2 Ų | 57.2 | 22% | 0.221 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 137.1 | 175.3 | -22.5 | 32.1 | 0 | 0 | 0 | 112.1 | D150 V154 L217 L218 | P148-D150 PolarHBondContact O-N 2.87Å; P148-D150 VanDerWaalsContact O-N 3.08Å; P148-V154 HydrophobicContact CG-CG1 4.2Å; P148-L217 HydrophobicContact CB-CD2 4.27Å; P148-L217 HydrophobicContact CG-CD2 3.81Å; P148-L218 HydrophobicContact CG-CD1 4.27Å |
| 149 | V | 61.7 | Low | 66.2 | Low | 47 Ų | 47 | 60.5 Ų | 60.5 | 29% | 0.285 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -81.8 | 79.4 | 166.4 | -176.3 | 0 | 0 | 0 | 0 | 106.1 | A147 K166 L168 | A147-V149 PolarHBondContact O-N 2.86Å; V149-K166 HydrophobicContact CB-CB 4.21Å; V149-K166 VanDerWaalsContact CB-O 3.29Å; V149-K166 WeakPolarHBondContact CB-O 3.2Å; V149-K166 HydrophobicContact CG2-CB 4.22Å; V149-K166 WeakPolarHBondContact CG2-O 3.23Å; V149-K166 PolarHBondContact N-O 2.85Å; V149-L168 HydrophobicContact CG2-CB 3.45Å; V149-L168 VanDerWaalsContact CG2-CB 3.45Å; V149-L168 HydrophobicContact CG2-CD1 4.46Å |
| 150 | D | 54.6 | Low | 63.5 | Low | 121 Ų | 121 | 69.4 Ų | 69.4 | 65% | 0.647 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 164.1 | 129.7 | 155.6 | -79.6 | -27.9 | 0 | 0 | 0 | 104.6 | P148 I152 | P148-D150 PolarHBondContact O-N 2.87Å; P148-D150 VanDerWaalsContact O-N 3.08Å; D150-I152 HydrophobicContact CB-CG1 4.4Å; D150-I152 PolarHBondContact O-N 2.82Å |
| 151 | G | 47.9 | Very low | 60.9 | Low | 91 Ų | 91 | 69.6 Ų | 69.6 | 94% | 0.938 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -66.4 | 25.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P153 | G151-P153 WeakPolarHBondContact O-CD 3.38Š|
| 152 | I | 47.4 | Very low | 58.8 | Low | 128 Ų | 128 | 71.1 Ų | 71.1 | 66% | 0.656 | 43% | 0.428 | S | S | * | . | trans | -85.7 | 115.1 | 174.9 | -53.5 | -149.7 | 0 | 0 | 0 | 106.6 | D150 V154 | D150-I152 HydrophobicContact CB-CG1 4.4Å; D150-I152 PolarHBondContact O-N 2.82Å; I152-V154 PolarHBondContact O-N 3.33Å; I152-V154 VanDerWaalsContact O-N 3.08Å | ||
| 153 | P | 44.6 | Very low | 56 | Low | 110 Ų | 110 | 74.9 Ų | 74.9 | 71% | 0.714 | 45% | 0.446 | S | S | * | . | trans | -55.5 | 123.4 | 170.1 | 24.7 | -31.3 | 0 | 0 | 0 | 106.5 | G151 S155 | G151-P153 WeakPolarHBondContact O-CD 3.38Å; P153-S155 PolarHBondContact O-N 2.69Å | ||
| 154 | V | 48.1 | Very low | 53.6 | Low | 50 Ų | 50 | 80.5 Ų | 80.5 | 30% | 0.303 | 49% | 0.486 | S | S | . | . | trans | -58.8 | 91.7 | 177.2 | -84.7 | 0 | 0 | 0 | 0 | 108.5 | P148 I152 F156 L217 L218 | P148-V154 HydrophobicContact CG-CG1 4.2Å; I152-V154 PolarHBondContact O-N 3.33Å; I152-V154 VanDerWaalsContact O-N 3.08Å; V154-F156 PolarHBondContact O-N 2.79Å; V154-L217 HydrophobicContact CG1-CD1 3.54Å; V154-L217 HydrophobicContact CG1-CD2 3.93Å; V154-L217 HydrophobicContact CG1-CG 4.23Å; V154-L218 HydrophobicContact CG1-CD1 4.45Å; V154-L218 HydrophobicContact CG2-CD1 3.85Å | ||
| 155 | S | 38.6 | Very low | 51.8 | Low | 84 Ų | 84 | 81.9 Ų | 81.9 | 59% | 0.587 | 50% | 0.495 | S | S | * | . | trans | -70.2 | 122.7 | 172.8 | -155.4 | 0 | 0 | 0 | 0 | 106 | P153 T157 | P153-S155 PolarHBondContact O-N 2.69Å; S155-T157 PolarHBondContact O-N 2.82Å | ||
| 156 | F | 42.9 | Very low | 50.6 | Low | 152 Ų | 152 | 87.2 Ų | 87.2 | 67% | 0.667 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 12.9 | -179.7 | -81.2 | -89.3 | 0 | 0 | 0 | 114.2 | Y131 V154 | Y131-F156 AromaticContact CD1-CE2 3.89Å; Y131-F156 HydrophobicContact CD1-CE2 3.89Å; Y131-F156 AromaticContact CD1-CZ 3.48Å; Y131-F156 HydrophobicContact CD1-CZ 3.48Å; Y131-F156 VanDerWaalsContact CD1-CZ 3.48Å; Y131-F156 HydrophobicContact CE1-CE2 4.06Å; Y131-F156 HydrophobicContact CE1-CZ 4.02Å; Y131-F156 HydrophobicContact CG-CZ 4.14Å; V154-F156 PolarHBondContact O-N 2.79Å |
| 157 | T | 35.9 | Very low | 50.2 | Low | 121 Ų | 121 | 87.1 Ų | 87.1 | 74% | 0.742 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -1.8 | -165.1 | 55.6 | 0 | 0 | 0 | 0 | 115.2 | S155 | S155-T157 PolarHBondContact O-N 2.82Š|
| 158 | S | 38 | Very low | 50.4 | Low | 58 Ų | 58 | 88.7 Ų | 88.7 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | trans | -155.3 | 101.7 | 170.3 | -173.7 | 0 | 0 | 0 | 0 | 113.2 | K160 S161 V162 | S158-K160 PolarHBondContact O-N 3.41Å; S158-S161 PolarHBondContact O-N 3.38Å; S158-V162 WeakPolarHBondContact O-CG2 3.27Å | ||
| 159 | A | 41.9 | Very low | 51.3 | Low | 78 Ų | 78 | 87.1 Ų | 87.1 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -12.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F163 | A159-F163 VanDerWaalsContact O-CD2 3.29Å; A159-F163 WeakPolarHBondContact O-CD2 3.42Å; A159-F163 VanDerWaalsContact O-CE2 3.29Å; A159-F163 WeakPolarHBondContact O-CE2 3.34Å |
| 160 | K | 36 | Very low | 52.6 | Low | 191 Ų | 191 | 88.5 Ų | 88.5 | 83% | 0.83 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -21.1 | 177.3 | -66.5 | -153.6 | 178.8 | -178.7 | 0 | 114.7 | S158 V162 | S158-K160 PolarHBondContact O-N 3.41Å; K160-V162 VanDerWaalsContact C-N 3.31Å |
| 161 | S | 36.8 | Very low | 54.5 | Low | 96 Ų | 96 | 84.3 Ų | 84.3 | 67% | 0.671 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -84.9 | -9.3 | 173.6 | -166.6 | 0 | 0 | 0 | 0 | 112.9 | S158 F163 | S158-S161 PolarHBondContact O-N 3.38Å; S161-F163 VanDerWaalsContact C-N 3.28Å; S161-F163 PolarHBondContact O-N 2.97Å |
| 162 | V | 46.8 | Very low | 56.6 | Low | 47 Ų | 47 | 82.9 Ų | 82.9 | 29% | 0.285 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -75.5 | -12.4 | -176.9 | 168.5 | 0 | 0 | 0 | 0 | 113.5 | S158 K160 L217 | S158-V162 WeakPolarHBondContact O-CG2 3.27Å; K160-V162 VanDerWaalsContact C-N 3.31Å; V162-L217 HydrophobicContact CG1-CB 3.97Å; V162-L217 HydrophobicContact CG1-CD1 4.48Å; V162-L217 HydrophobicContact CG2-CD1 4.42Å |
| 163 | F | 37.8 | Very low | 58.9 | Low | 144 Ų | 144 | 79 Ų | 79 | 63% | 0.632 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -90.5 | -4 | -170 | -83 | -85.4 | 0 | 0 | 0 | 116 | A159 S161 N216 | A159-F163 VanDerWaalsContact O-CD2 3.29Å; A159-F163 WeakPolarHBondContact O-CD2 3.42Å; A159-F163 VanDerWaalsContact O-CE2 3.29Å; A159-F163 WeakPolarHBondContact O-CE2 3.34Å; S161-F163 VanDerWaalsContact C-N 3.28Å; S161-F163 PolarHBondContact O-N 2.97Å; F163-N216 WeakPolarHBondContact CA-OD1 2.98Å |
| 164 | S | 45.8 | Very low | 61.2 | Low | 118 Ų | 118 | 74 Ų | 74 | 83% | 0.825 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -138.1 | 14.2 | -171.6 | -131.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 165 | S | 57.4 | Low | 63.3 | Low | 29 Ų | 29 | 78.7 Ų | 78.7 | 20% | 0.203 | 43% | 0.426 | C | S | . | . | trans | -78 | 126.8 | 177.1 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | Y215 L217 | S165-Y215 PolarHBondContact O-N 2.83Å; S165-Y215 PolarHBondContact OG-O 2.76Å; S165-Y215 VanDerWaalsContact OG-O 3.11Å; S165-L217 VanDerWaalsContact OG-CD1 3.27Å; S165-L217 WeakPolarHBondContact OG-CD1 3.49Å; S165-L217 WeakPolarHBondContact OG-CG 3.36Å | ||
| 166 | K | 66.6 | Low | 65.8 | Low | 119 Ų | 119 | 79.5 Ų | 79.5 | 52% | 0.517 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 135.3 | 161.8 | -66.5 | 177.8 | 164.6 | -155.1 | 0 | 108.3 | V149 E212 | V149-K166 HydrophobicContact CB-CB 4.21Å; V149-K166 VanDerWaalsContact CB-O 3.29Å; V149-K166 WeakPolarHBondContact CB-O 3.2Å; V149-K166 HydrophobicContact CG2-CB 4.22Å; V149-K166 WeakPolarHBondContact CG2-O 3.23Å; V149-K166 PolarHBondContact N-O 2.85Å; K166-E212 WeakPolarHBondContact CD-OE2 3.3Å; K166-E212 IonicContact NZ-OE2 3.67Å; K166-E212 PolarHBondContact NZ-OE2 2.85Å |
| 167 | A | 76.2 | Confident | 68.1 | Low | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.008 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 152.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | I146 A147 E212 V213 | I146-A167 HydrophobicContact CG2-CB 3.37Å; A147-A167 CarbonylContact O-C 3.58Å; A147-A167 WeakPolarHBondContact O-CA 3.18Å; A167-E212 CarbonylContact O-C 3.56Å; A167-E212 WeakPolarHBondContact O-CA 3.5Å; A167-V213 HydrophobicContact CB-CG2 3.99Å; A167-V213 PolarHBondContact N-O 3.19Å; A167-V213 PolarHBondContact O-N 3Å |
| 168 | L | 83.4 | Confident | 70.7 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 23% | 0.225 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.6 | -178.6 | -174.8 | 153.2 | 0 | 0 | 0 | 108.7 | A147 V149 K170 | A147-L168 PolarHBondContact N-O 3.13Å; A147-L168 PolarHBondContact O-N 2.9Å; V149-L168 HydrophobicContact CG2-CB 3.45Å; V149-L168 VanDerWaalsContact CG2-CB 3.45Å; V149-L168 HydrophobicContact CG2-CD1 4.46Å; L168-K170 HydrophobicContact CD2-CB 4.48Å; L168-K170 HydrophobicContact CD2-CD 4.24Å; L168-K170 HydrophobicContact CD2-CG 3.33Å; L168-K170 PolarHBondContact O-N 2.84Å |
| 169 | V | 89 | Confident | 73.2 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 112.1 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | I144 I146 V208 G210 Q211 V213 F225 | I144-V169 HydrophobicContact CD1-CG1 3.57Å; I144-V169 HydrophobicContact CG1-CG1 3.66Å; I146-V169 HydrophobicContact CG1-CG2 4.34Å; V169-V208 VanDerWaalsContact CB-O 3.32Å; V169-V208 WeakPolarHBondContact CB-O 3.46Å; V169-V208 HydrophobicContact CG1-CB 4.49Å; V169-V208 HydrophobicContact CG1-CG2 4.06Å; V169-G210 PolarHBondContact O-N 2.71Å; V169-Q211 PolarHBondContact N-O 2.96Å; V169-V213 HydrophobicContact CG2-CG1 4.21Å; V169-F225 HydrophobicContact CB-CZ 4.42Å; V169-F225 HydrophobicContact CG1-CE1 4.26Å; V169-F225 HydrophobicContact CG1-CE2 4.23Å; V169-F225 HydrophobicContact CG1-CZ 3.51Å; V169-F225 HydrophobicContact CG2-CE2 3.96Å; V169-F225 HydrophobicContact CG2-CZ 4.01Å |
| 170 | K | 89.3 | Confident | 75.4 | Confident | 76 Ų | 76 | 71.2 Ų | 71.2 | 33% | 0.33 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 145.9 | -176.5 | -67.6 | -173.7 | -174.6 | 167.3 | 0 | 110.9 | I144 N145 A147 L168 Q172 | I144-K170 WeakPolarHBondContact CA-O 3.29Å; N145-K170 PolarHBondContact N-O 3.28Å; N145-K170 PolarHBondContact O-N 3.38Å; N145-K170 PolarHBondContact OD1-O 2.72Å; A147-K170 HydrophobicContact CB-CD 3.77Å; A147-K170 HydrophobicContact CB-CG 4.22Å; L168-K170 HydrophobicContact CD2-CB 4.48Å; L168-K170 HydrophobicContact CD2-CD 4.24Å; L168-K170 HydrophobicContact CD2-CG 3.33Å; L168-K170 PolarHBondContact O-N 2.84Å; K170-Q172 HydrophobicContact CB-CG 3.84Å |
| 171 | M | 93.6 | Very high | 78 | Confident | 33 Ų | 33 | 64.5 Ų | 64.5 | 16% | 0.163 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.7 | 161.1 | -176.5 | 179 | 80.9 | 0 | 0 | 107.9 | W39 L138 Y142 V143 I209 | W39-M171 HydrophobicContact CD2-SD 4.48Å; W39-M171 HydrophobicContact CE3-SD 4.47Å; L138-M171 HydrophobicContact CD1-CG 4.03Å; L138-M171 HydrophobicContact CD1-SD 4.07Å; Y142-M171 HydrophobicContact CD1-CE 4.25Å; Y142-M171 HydrophobicContact CD1-CG 4.05Å; Y142-M171 HydrophobicContact CD1-SD 4.46Å; Y142-M171 HydrophobicContact CE1-CE 4.42Å; V143-M171 CarbonylContact O-C 3.48Å; V143-M171 WeakPolarHBondContact O-CA 3.46Å; M171-I209 HydrophobicContact CB-CD1 3.89Å; M171-I209 HydrophobicContact CB-CG1 4.32Å; M171-I209 HydrophobicContact CG-CD1 4.43Å; M171-I209 HydrophobicContact SD-CD1 4.12Å |
| 172 | Q | 93.2 | Very high | 80.6 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 29% | 0.285 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 160.4 | -173.8 | -59.9 | -169.6 | -100.6 | 0 | 0 | 110.3 | Y142 V143 N145 K170 V177 | Y142-Q172 CarbonylContact C-O 3.58Å; Y142-Q172 WeakPolarHBondContact CA-O 3.17Å; V143-Q172 PolarHBondContact N-O 3.45Å; V143-Q172 PolarHBondContact O-N 3.18Å; N145-Q172 PolarHBondContact ND2-OE1 2.9Å; N145-Q172 VanDerWaalsContact ND2-OE1 3.11Å; N145-Q172 PolarHBondContact OD1-OE1 2.93Å; N145-Q172 VanDerWaalsContact OD1-OE1 3.07Å; K170-Q172 HydrophobicContact CB-CG 3.84Å; Q172-V177 HydrophobicContact CB-CG2 3.47Å; Q172-V177 VanDerWaalsContact CB-CG2 3.47Å; Q172-V177 HydrophobicContact CG-CG2 4.28Å |
| 173 | L | 94.2 | Very high | 82.8 | Confident | 47 Ų | 47 | 62.3 Ų | 62.3 | 25% | 0.246 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 135.5 | 171.1 | -69.2 | 166.9 | 0 | 0 | 0 | 109.1 | G141 Y142 K175 D176 V177 | G141-L173 CarbonylContact O-C 3.51Å; G141-L173 WeakPolarHBondContact O-CA 3.46Å; Y142-L173 HydrophobicContact CD1-CD2 3.97Å; Y142-L173 HydrophobicContact CD1-CG 4.41Å; Y142-L173 HydrophobicContact CD2-CD2 4.35Å; Y142-L173 HydrophobicContact CE1-CD2 3.56Å; Y142-L173 HydrophobicContact CE1-CG 3.95Å; Y142-L173 HydrophobicContact CE2-CD2 3.99Å; Y142-L173 HydrophobicContact CG-CD2 4.35Å; L173-K175 HydrophobicContact CB-CG 3.93Å; L173-K175 PolarHBondContact O-N 2.83Å; L173-D176 HydrophobicContact CB-CB 4.27Å; L173-D176 PolarHBondContact O-N 3.22Å; L173-V177 PolarHBondContact O-N 2.86Å |
| 174 | L | 93.4 | Very high | 85.5 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53.2 | -44.7 | 177.2 | 175 | 58.8 | 0 | 0 | 0 | 110.7 | F110 P118 I124 Y137 G141 V143 D176 V177 V178 Y183 | F110-L174 HydrophobicContact CE1-CD2 4.35Å; P118-L174 HydrophobicContact CG-CD2 4.06Å; I124-L174 HydrophobicContact CG2-CD1 3.87Å; Y137-L174 HydrophobicContact CD2-CD2 4.34Å; Y137-L174 HydrophobicContact CE2-CD2 4.3Å; G141-L174 WeakPolarHBondContact O-CB 3.36Å; G141-L174 PolarHBondContact O-N 2.76Å; V143-L174 HydrophobicContact CG1-CB 3.98Å; V143-L174 HydrophobicContact CG1-CD1 3.82Å; V143-L174 HydrophobicContact CG1-CG 4.39Å; L174-D176 VanDerWaalsContact C-N 3.27Å; L174-D176 PolarHBondContact O-N 3.24Å; L174-V177 CarbonylContact O-C 3.6Å; L174-V177 PolarHBondContact O-N 3.5Å; L174-V178 HydrophobicContact CD1-CG2 3.64Å; L174-V178 HydrophobicContact CG-CG2 4.18Å; L174-V178 WeakPolarHBondContact O-CB 3.46Å; L174-V178 VanDerWaalsContact O-CG2 3.24Å; L174-V178 WeakPolarHBondContact O-CG2 3.17Å; L174-V178 PolarHBondContact O-N 3.31Å; L174-Y183 HydrophobicContact CD2-CE2 4.16Å |
| 175 | K | 92.3 | Very high | 87.9 | Confident | 149 Ų | 149 | 57.4 Ų | 57.4 | 65% | 0.648 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.5 | -35.8 | 176.8 | 58.5 | 166.1 | -172.5 | 178.9 | 0 | 113.6 | L173 G179 | L173-K175 HydrophobicContact CB-CG 3.93Å; L173-K175 PolarHBondContact O-N 2.83Å; K175-G179 PolarHBondContact O-N 2.9Å |
| 176 | D | 91.1 | Very high | 89.7 | Confident | 101 Ų | 101 | 57 Ų | 57 | 54% | 0.54 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -79.4 | -35.1 | -179.2 | -60.5 | -11.7 | 0 | 0 | 0 | 110.3 | L173 L174 | L173-D176 HydrophobicContact CB-CB 4.27Å; L173-D176 PolarHBondContact O-N 3.22Å; L174-D176 VanDerWaalsContact C-N 3.27Å; L174-D176 PolarHBondContact O-N 3.24Å |
| 177 | V | 90.3 | Very high | 91 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 173.1 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | R128 V143 Q172 L173 L174 | R128-V177 PolarHBondContact NH2-O 3.11Å; V143-V177 HydrophobicContact CG2-CB 4.1Å; V143-V177 HydrophobicContact CG2-CG1 4.45Å; V143-V177 HydrophobicContact CG2-CG2 3.64Å; Q172-V177 HydrophobicContact CB-CG2 3.47Å; Q172-V177 VanDerWaalsContact CB-CG2 3.47Å; Q172-V177 HydrophobicContact CG-CG2 4.28Å; L173-V177 PolarHBondContact O-N 2.86Å; L174-V177 CarbonylContact O-C 3.6Å; L174-V177 PolarHBondContact O-N 3.5Å |
| 178 | V | 91.3 | Very high | 91.8 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -73.9 | -46 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | V126 R128 L174 N180 D181 Y183 | V126-V178 HydrophobicContact CG2-CG2 4.07Å; R128-V178 PolarHBondContact NH1-O 2.85Å; L174-V178 HydrophobicContact CD1-CG2 3.64Å; L174-V178 HydrophobicContact CG-CG2 4.18Å; L174-V178 WeakPolarHBondContact O-CB 3.46Å; L174-V178 VanDerWaalsContact O-CG2 3.24Å; L174-V178 WeakPolarHBondContact O-CG2 3.17Å; L174-V178 PolarHBondContact O-N 3.31Å; V178-N180 PolarHBondContact O-N 3.12Å; V178-D181 WeakPolarHBondContact CG1-O 3.42Å; V178-D181 PolarHBondContact O-N 3.2Å; V178-Y183 HydrophobicContact CB-CD1 4.44Å; V178-Y183 HydrophobicContact CG1-CD1 3.98Å; V178-Y183 HydrophobicContact CG2-CD1 3.63Å; V178-Y183 HydrophobicContact CG2-CE1 4.35Å; V178-Y183 HydrophobicContact CG2-CG 3.94Å |
| 179 | G | 90.5 | Very high | 92.1 | Very high | 47 Ų | 47 | 55.4 Ų | 55.4 | 49% | 0.485 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -124 | -176 | 0 | 0 | 0 | 0 | 0 | 111 | K175 | K175-G179 PolarHBondContact O-N 2.9Š|
| 180 | N | 88.5 | Confident | 92.3 | Very high | 171 Ų | 171 | 58 Ų | 58 | 91% | 0.914 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -1.2 | 179.4 | -63.6 | -19.6 | 0 | 0 | 0 | 113.6 | V178 | V178-N180 PolarHBondContact O-N 3.12Š|
| 181 | D | 90.4 | Very high | 92.4 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -86.4 | 172.2 | -177.7 | -72 | -44.5 | 0 | 0 | 0 | 111.9 | V126 F127 R128 V178 | V126-D181 HydrophobicContact CG1-CB 4.11Å; F127-D181 WeakPolarHBondContact O-CB 3.46Å; R128-D181 WeakPolarHBondContact CD-OD2 3.42Å; R128-D181 IonicContact CZ-OD2 2.72Å; R128-D181 IonicContact NE-OD2 3.52Å; R128-D181 IonicContact NH1-OD2 3.29Å; R128-D181 PolarHBondContact NH1-OD2 3.23Å; V178-D181 WeakPolarHBondContact CG1-O 3.42Å; V178-D181 PolarHBondContact O-N 3.2Å |
| 182 | T | 91.4 | Very high | 92.2 | Very high | 71 Ų | 71 | 67 Ų | 67 | 44% | 0.436 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 155.9 | 174.1 | 58.1 | 0 | 0 | 0 | 0 | 110.6 | F127 | F127-T182 WeakPolarHBondContact CD2-O 3.31Å; F127-T182 WeakPolarHBondContact CD2-OG1 3.33Å; F127-T182 PolarHBondContact N-O 3.26Å |
| 183 | Y | 94.1 | Very high | 92 | Very high | 27 Ų | 27 | 67.1 Ų | 67.1 | 11% | 0.106 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 163 | 173.9 | 77.4 | -83.9 | 0 | 0 | 0 | 111.4 | Y114 I124 E125 L174 V178 | Y114-Y183 WeakPolarHBondContact CE1-O 3.34Å; I124-Y183 HydrophobicContact CG2-CD2 3.68Å; I124-Y183 HydrophobicContact CG2-CG 4.18Å; E125-Y183 CarbonylContact O-C 3.44Å; E125-Y183 WeakPolarHBondContact O-CA 3.39Å; E125-Y183 WeakPolarHBondContact O-CB 3.33Å; L174-Y183 HydrophobicContact CD2-CE2 4.16Å; V178-Y183 HydrophobicContact CB-CD1 4.44Å; V178-Y183 HydrophobicContact CG1-CD1 3.98Å; V178-Y183 HydrophobicContact CG2-CD1 3.63Å; V178-Y183 HydrophobicContact CG2-CE1 4.35Å; V178-Y183 HydrophobicContact CG2-CG 3.94Å |
| 184 | R | 94.4 | Very high | 91.9 | Very high | 111 Ų | 111 | 70 Ų | 70 | 42% | 0.419 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 156 | 167.6 | 65.2 | 173 | 177.5 | -175.8 | -3.6 | 111.1 | E125 F127 N186 | E125-R184 HydrophobicContact CB-CG 4.11Å; E125-R184 PolarHBondContact N-O 3.08Å; E125-R184 PolarHBondContact O-N 3.27Å; E125-R184 IonicContact OE1-NH2 2.86Å; E125-R184 IonicContact OE2-CZ 2.79Å; E125-R184 IonicContact OE2-NE 3.79Å; E125-R184 PolarHBondContact OE2-NE 2.99Å; E125-R184 IonicContact OE2-NH2 2.63Å; E125-R184 PolarHBondContact OE2-NH2 2.86Å; F127-R184 HydrophobicContact CE2-CB 4.18Å; F127-R184 HydrophobicContact CE2-CG 3.74Å; F127-R184 HydrophobicContact CZ-CG 3.76Å; R184-N186 HydrophobicContact CG-CB 4.27Å; R184-N186 PolarHBondContact NH2-ND2 3Å |
| 185 | I | 95.6 | Very high | 92 | Very high | 47 Ų | 47 | 72.5 Ų | 72.5 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 127.8 | 163.5 | -60.9 | 161.7 | 0 | 0 | 0 | 107.1 | P118 D122 L123 I124 | P118-I185 HydrophobicContact CB-CD1 4Å; P118-I185 HydrophobicContact CB-CG1 4.15Å; D122-I185 HydrophobicContact CB-CG2 3.95Å; L123-I185 CarbonylContact O-C 3.48Å; L123-I185 WeakPolarHBondContact O-CA 3.34Å; I124-I185 HydrophobicContact CD1-CG1 3.91Å |
| 186 | N | 94.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 67.3 Ų | 67.3 | 12% | 0.118 | 36% | 0.361 | C | S | . | . | trans | -143 | 80.6 | -176 | -169.6 | 2.1 | 0 | 0 | 0 | 112.8 | L123 E125 W134 R184 K188 | L123-N186 WeakPolarHBondContact CB-O 3.45Å; L123-N186 PolarHBondContact O-N 3.17Å; E125-N186 HydrophobicContact CB-CB 4.18Å; E125-N186 PolarHBondContact OE2-ND2 3.14Å; W134-N186 HydrophobicContact CH2-CB 3.9Å; W134-N186 WeakPolarHBondContact CH2-ND2 3.36Å; W134-N186 HydrophobicContact CZ3-CB 4.09Å; R184-N186 HydrophobicContact CG-CB 4.27Å; R184-N186 PolarHBondContact NH2-ND2 3Å; N186-K188 PolarHBondContact O-N 2.89Å; N186-K188 VanDerWaalsContact O-N 3.14Å; N186-K188 WeakPolarHBondContact OD1-CB 3.29Å; N186-K188 PolarHBondContact OD1-N 2.78Å | ||
| 187 | N | 94.8 | Very high | 92.4 | Very high | 38 Ų | 38 | 66.4 Ų | 66.4 | 20% | 0.203 | 36% | 0.361 | C | S | . | . | trans | -85 | 43.8 | 173.5 | -59 | -29.8 | 0 | 0 | 0 | 112.3 | D122 L123 Y189 D190 R230 | D122-N187 PolarHBondContact OD1-ND2 3.18Å; L123-N187 PolarHBondContact N-OD1 3.47Å; N187-Y189 PolarHBondContact O-N 3.49Å; N187-D190 WeakPolarHBondContact CB-OD2 3.42Å; N187-D190 WeakPolarHBondContact O-CB 3.34Å; N187-D190 PolarHBondContact O-N 2.77Å; N187-R230 PolarHBondContact ND2-NH2 3.06Å | ||
| 188 | K | 91.4 | Very high | 92.7 | Very high | 71 Ų | 71 | 69.1 Ų | 69.1 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -12 | -173.5 | 60.9 | -176 | -174.4 | -176.8 | 0 | 116.8 | W134 N186 E223 | W134-K188 HydrophobicContact CH2-CD 4.25Å; N186-K188 PolarHBondContact O-N 2.89Å; N186-K188 VanDerWaalsContact O-N 3.14Å; N186-K188 WeakPolarHBondContact OD1-CB 3.29Å; N186-K188 PolarHBondContact OD1-N 2.78Å; K188-E223 WeakPolarHBondContact CE-OE1 2.81Å; K188-E223 IonicContact NZ-OE1 2.9Å; K188-E223 PolarHBondContact NZ-OE1 3.14Å |
| 189 | Y | 91.1 | Very high | 92.9 | Very high | 19 Ų | 19 | 75.4 Ų | 75.4 | 8% | 0.075 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -4.7 | -178.7 | -61.5 | -64.9 | 0 | 0 | 0 | 113.1 | N187 E191 T192 Y193 E223 T227 Y231 V235 | N187-Y189 PolarHBondContact O-N 3.49Å; Y189-E191 PolarHBondContact O-N 2.9Å; Y189-T192 PolarHBondContact O-N 2.93Å; Y189-Y193 PolarHBondContact O-N 2.79Å; Y189-E223 HydrophobicContact CE2-CG 4.36Å; Y189-E223 WeakPolarHBondContact CE2-OE1 3.32Å; Y189-E223 PolarHBondContact OH-OE1 2.93Å; Y189-T227 HydrophobicContact CD2-CG2 3.67Å; Y189-T227 HydrophobicContact CE2-CG2 3.74Å; Y189-Y231 HydrophobicContact CD2-CE2 4.21Å; Y189-Y231 HydrophobicContact CG-CE2 4.39Å; Y189-V235 HydrophobicContact CD1-CG1 4Å; Y189-V235 HydrophobicContact CE1-CG1 3.61Å; Y189-V235 HydrophobicContact CE2-CG1 4.35Å |
| 190 | D | 93.6 | Very high | 93.2 | Very high | 56 Ų | 56 | 76 Ų | 76 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29 | -178.8 | -79 | 1.5 | 0 | 0 | 0 | 113 | N187 T192 Y193 R230 Y231 | N187-D190 WeakPolarHBondContact CB-OD2 3.42Å; N187-D190 WeakPolarHBondContact O-CB 3.34Å; N187-D190 PolarHBondContact O-N 2.77Å; D190-T192 VanDerWaalsContact C-N 3.32Å; D190-Y193 WeakPolarHBondContact CA-O 3.42Å; D190-R230 IonicContact OD1-CZ 2.71Å; D190-R230 VanDerWaalsContact OD1-CZ 3.29Å; D190-R230 IonicContact OD1-NE 2.66Å; D190-R230 PolarHBondContact OD1-NE 3.27Å; D190-R230 IonicContact OD1-NH2 2.71Å; D190-R230 PolarHBondContact OD1-NH2 2.83Å; D190-R230 IonicContact OD2-CZ 3.86Å; D190-R230 IonicContact OD2-NH2 3.12Å; D190-R230 PolarHBondContact OD2-NH2 3.41Å; D190-Y231 PolarHBondContact N-OH 3.14Å; D190-Y231 VanDerWaalsContact OD1-CE1 3.27Å; D190-Y231 WeakPolarHBondContact OD1-CE1 3.37Å; D190-Y231 PolarHBondContact OD1-OH 3.41Å |
| 191 | E | 90.1 | Very high | 93.5 | Very high | 195 Ų | 195 | 68 Ų | 68 | 91% | 0.911 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -27.3 | 177.1 | -65.4 | -178.2 | -178.2 | 0 | 0 | 112.8 | Y189 | Y189-E191 PolarHBondContact O-N 2.9Š|
| 192 | T | 90 | Very high | 93.7 | Very high | 102 Ų | 102 | 66.9 Ų | 66.9 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -35 | -176.7 | -50 | 0 | 0 | 0 | 0 | 112.2 | Y189 D190 | Y189-T192 PolarHBondContact O-N 2.93Å; D190-T192 VanDerWaalsContact C-N 3.32Å |
| 193 | Y | 87.9 | Confident | 93.9 | Very high | 65 Ų | 65 | 70.1 Ų | 70.1 | 26% | 0.255 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -125.1 | 116.8 | -176.9 | -62.4 | -88.3 | 0 | 0 | 0 | 108.9 | Y189 D190 Y231 V235 | Y189-Y193 PolarHBondContact O-N 2.79Å; D190-Y193 WeakPolarHBondContact CA-O 3.42Å; Y193-Y231 VanDerWaalsContact O-CD1 3.23Å; Y193-Y231 WeakPolarHBondContact O-CD1 3.4Å; Y193-Y231 WeakPolarHBondContact O-CE1 3.33Å; Y193-V235 HydrophobicContact CD2-CG2 4.18Å; Y193-V235 HydrophobicContact CE1-CG2 4.12Å; Y193-V235 HydrophobicContact CE2-CG1 4.24Å; Y193-V235 HydrophobicContact CE2-CG2 3.74Å |
| 194 | P | 92.4 | Very high | 93.9 | Very high | 106 Ų | 106 | 72.9 Ų | 72.9 | 69% | 0.688 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 128.5 | 177 | 26.1 | -32.3 | 0 | 0 | 0 | 109.6 | ||
| 195 | P | 95.7 | Very high | 93.8 | Very high | 58 Ų | 58 | 67.6 Ų | 67.6 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 146.9 | 177.2 | 27.7 | -34.2 | 0 | 0 | 0 | 110.6 | R230 Y231 | P195-R230 HydrophobicContact CB-CG 4.1Å; P195-Y231 HydrophobicContact CB-CD1 4.36Å; P195-Y231 HydrophobicContact CB-CE1 4.18Å |
| 196 | L | 95.9 | Very high | 93.7 | Very high | 40 Ų | 40 | 67 Ų | 67 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 158.8 | 172 | -64.6 | 169.7 | 0 | 0 | 0 | 110.5 | V198 E200 I201 R204 R230 | L196-V198 PolarHBondContact O-N 3.38Å; L196-E200 HydrophobicContact CD1-CG 4.36Å; L196-I201 HydrophobicContact CB-CD1 4.36Å; L196-I201 HydrophobicContact CB-CG1 3.78Å; L196-I201 VanDerWaalsContact O-CD1 3.31Å; L196-I201 WeakPolarHBondContact O-CD1 3.47Å; L196-R204 VanDerWaalsContact CD1-CZ 3.45Å; L196-R204 VanDerWaalsContact CD1-NH1 3.25Å; L196-R230 WeakPolarHBondContact CB-O 3.45Å; L196-R230 VanDerWaalsContact CG-O 3.31Å; L196-R230 WeakPolarHBondContact CG-O 3.31Å; L196-R230 PolarHBondContact N-O 3.27Å |
| 197 | P | 97.2 | Very high | 93.5 | Very high | 83 Ų | 83 | 72.2 Ų | 72.2 | 54% | 0.539 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 137.1 | 168.5 | -24.5 | 34.3 | 0 | 0 | 0 | 110.6 | E199 E200 I201 | P197-E199 PolarHBondContact O-N 3.35Å; P197-E199 VanDerWaalsContact O-N 3.13Å; P197-E200 HydrophobicContact CB-CB 4.46Å; P197-E200 WeakPolarHBondContact O-CA 3.47Å; P197-E200 WeakPolarHBondContact O-CB 3.39Å; P197-E200 PolarHBondContact O-N 3.48Å; P197-I201 PolarHBondContact O-N 2.87Å |
| 198 | V | 96.3 | Very high | 93.3 | Very high | 62 Ų | 62 | 71.7 Ų | 71.7 | 38% | 0.376 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53.1 | -41.1 | -175.7 | 173.9 | 0 | 0 | 0 | 0 | 111 | P120 L196 E200 I201 I202 | P120-V198 HydrophobicContact CB-CG1 3.81Å; L196-V198 PolarHBondContact O-N 3.38Å; V198-E200 VanDerWaalsContact C-N 3.27Å; V198-E200 PolarHBondContact O-N 3.19Å; V198-I201 WeakPolarHBondContact O-CB 3.24Å; V198-I201 PolarHBondContact O-N 3.17Å; V198-I201 VanDerWaalsContact O-N 3.15Å; V198-I202 HydrophobicContact CG1-CG1 4.21Å; V198-I202 VanDerWaalsContact O-CG1 3.32Å; V198-I202 WeakPolarHBondContact O-CG1 3.42Å; V198-I202 PolarHBondContact O-N 2.97Å |
| 199 | E | 95.4 | Very high | 93.3 | Very high | 143 Ų | 143 | 70 Ų | 70 | 67% | 0.668 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.8 | -38.3 | 178.2 | -62.9 | 74.4 | -162.6 | 0 | 0 | 112.5 | P197 K203 | P197-E199 PolarHBondContact O-N 3.35Å; P197-E199 VanDerWaalsContact O-N 3.13Å; E199-K203 WeakPolarHBondContact O-CB 3.22Å; E199-K203 PolarHBondContact O-N 3Å |
| 200 | E | 95.6 | Very high | 93 | Very high | 61 Ų | 61 | 71.3 Ų | 71.3 | 29% | 0.285 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.9 | -39.7 | 177.5 | -179.2 | 63.7 | -170.2 | 0 | 0 | 111.1 | L196 P197 V198 I202 K203 R204 | L196-E200 HydrophobicContact CD1-CG 4.36Å; P197-E200 HydrophobicContact CB-CB 4.46Å; P197-E200 WeakPolarHBondContact O-CA 3.47Å; P197-E200 WeakPolarHBondContact O-CB 3.39Å; P197-E200 PolarHBondContact O-N 3.48Å; V198-E200 VanDerWaalsContact C-N 3.27Å; V198-E200 PolarHBondContact O-N 3.19Å; E200-I202 VanDerWaalsContact C-N 3.35Å; E200-I202 PolarHBondContact O-N 2.98Å; E200-K203 PolarHBondContact O-N 3.11Å; E200-R204 WeakPolarHBondContact O-CB 3.24Å; E200-R204 VanDerWaalsContact O-CG 3.29Å; E200-R204 WeakPolarHBondContact O-CG 3.36Å; E200-R204 PolarHBondContact O-N 2.9Å; E200-R204 IonicContact OE1-CZ 2.97Å; E200-R204 IonicContact OE1-NE 3.18Å; E200-R204 PolarHBondContact OE1-NE 3.11Å; E200-R204 IonicContact OE1-NH2 3.43Å; E200-R204 PolarHBondContact OE1-NH2 3.02Å |
| 201 | I | 96.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.7 | -48.7 | 174.2 | -61.1 | 175.4 | 0 | 0 | 0 | 110.1 | L136 L196 P197 V198 R204 S205 R230 | L136-I201 HydrophobicContact CD1-CG2 3.69Å; L136-I201 HydrophobicContact CD2-CG2 3.8Å; L136-I201 HydrophobicContact CG-CG2 4.35Å; L196-I201 HydrophobicContact CB-CD1 4.36Å; L196-I201 HydrophobicContact CB-CG1 3.78Å; L196-I201 VanDerWaalsContact O-CD1 3.31Å; L196-I201 WeakPolarHBondContact O-CD1 3.47Å; P197-I201 PolarHBondContact O-N 2.87Å; V198-I201 WeakPolarHBondContact O-CB 3.24Å; V198-I201 PolarHBondContact O-N 3.17Å; V198-I201 VanDerWaalsContact O-N 3.15Å; I201-R204 PolarHBondContact O-N 3.29Å; I201-S205 WeakPolarHBondContact O-CB 3.49Å; I201-S205 PolarHBondContact O-N 2.85Å; I201-S205 PolarHBondContact O-OG 3.28Å; I201-R230 HydrophobicContact CD1-CB 4.43Å; I201-R230 HydrophobicContact CD1-CG 4.03Å |
| 202 | I | 94.9 | Very high | 92.1 | Very high | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 178.7 | -62.5 | -52.8 | 0 | 0 | 0 | 109.8 | W39 P120 L138 V198 E200 R204 S205 E206 | W39-I202 HydrophobicContact CH2-CG2 3.8Å; W39-I202 HydrophobicContact CZ2-CG2 4.19Å; P120-I202 HydrophobicContact CB-CD1 4.37Å; L138-I202 HydrophobicContact CB-CD1 4.17Å; L138-I202 HydrophobicContact CD2-CD1 3.68Å; V198-I202 HydrophobicContact CG1-CG1 4.21Å; V198-I202 VanDerWaalsContact O-CG1 3.32Å; V198-I202 WeakPolarHBondContact O-CG1 3.42Å; V198-I202 PolarHBondContact O-N 2.97Å; E200-I202 VanDerWaalsContact C-N 3.35Å; E200-I202 PolarHBondContact O-N 2.98Å; I202-R204 VanDerWaalsContact C-N 3.35Å; I202-R204 PolarHBondContact O-N 2.97Å; I202-S205 CarbonylContact O-C 3.32Å; I202-S205 WeakPolarHBondContact O-CA 3.32Å; I202-S205 VanDerWaalsContact O-CB 3.29Å; I202-S205 WeakPolarHBondContact O-CB 3.32Å; I202-S205 PolarHBondContact O-N 3.3Å; I202-E206 HydrophobicContact CG2-CG 4.24Å; I202-E206 WeakPolarHBondContact O-CG 3.22Å; I202-E206 PolarHBondContact O-N 2.78Å |
| 203 | K | 94.3 | Very high | 91.2 | Very high | 140 Ų | 140 | 65 Ų | 65 | 61% | 0.609 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57 | -44.1 | 179.8 | -175 | -177.7 | 177.3 | -169.5 | 0 | 112.9 | E199 E200 E206 F207 | E199-K203 WeakPolarHBondContact O-CB 3.22Å; E199-K203 PolarHBondContact O-N 3Å; E200-K203 PolarHBondContact O-N 3.11Å; K203-E206 PolarHBondContact O-N 3.21Å; K203-F207 PolarHBondContact O-N 2.95Å |
| 204 | R | 93.7 | Very high | 90.1 | Very high | 85 Ų | 85 | 66.5 Ų | 66.5 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 174.8 | -73.1 | 176.8 | -177 | -156.6 | 4.4 | 111.4 | L196 E200 I201 I202 E206 F207 V208 L229 | L196-R204 VanDerWaalsContact CD1-CZ 3.45Å; L196-R204 VanDerWaalsContact CD1-NH1 3.25Å; E200-R204 WeakPolarHBondContact O-CB 3.24Å; E200-R204 VanDerWaalsContact O-CG 3.29Å; E200-R204 WeakPolarHBondContact O-CG 3.36Å; E200-R204 PolarHBondContact O-N 2.9Å; E200-R204 IonicContact OE1-CZ 2.97Å; E200-R204 IonicContact OE1-NE 3.18Å; E200-R204 PolarHBondContact OE1-NE 3.11Å; E200-R204 IonicContact OE1-NH2 3.43Å; E200-R204 PolarHBondContact OE1-NH2 3.02Å; I201-R204 PolarHBondContact O-N 3.29Å; I202-R204 VanDerWaalsContact C-N 3.35Å; I202-R204 PolarHBondContact O-N 2.97Å; R204-E206 VanDerWaalsContact C-N 3.34Å; R204-E206 PolarHBondContact O-N 3.07Å; R204-F207 WeakPolarHBondContact O-CB 3.48Å; R204-F207 PolarHBondContact O-N 3.25Å; R204-V208 PolarHBondContact O-N 3.49Å; R204-L229 HydrophobicContact CB-CD2 3.98Å |
| 205 | S | 94.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 111 | I144 I201 I202 F207 V208 I209 | I144-S205 WeakPolarHBondContact CD1-O 3.45Å; I201-S205 WeakPolarHBondContact O-CB 3.49Å; I201-S205 PolarHBondContact O-N 2.85Å; I201-S205 PolarHBondContact O-OG 3.28Å; I202-S205 CarbonylContact O-C 3.32Å; I202-S205 WeakPolarHBondContact O-CA 3.32Å; I202-S205 VanDerWaalsContact O-CB 3.29Å; I202-S205 WeakPolarHBondContact O-CB 3.32Å; I202-S205 PolarHBondContact O-N 3.3Å; S205-F207 PolarHBondContact O-N 2.9Å; S205-V208 VanDerWaalsContact O-CG2 3.29Å; S205-V208 WeakPolarHBondContact O-CG2 3.5Å; S205-V208 PolarHBondContact O-N 2.74Å; S205-I209 WeakPolarHBondContact O-CG1 3.49Å; S205-I209 PolarHBondContact O-N 3.26Å |
| 206 | E | 91.6 | Very high | 86.3 | Confident | 33 Ų | 33 | 64 Ų | 64 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -32.3 | 178.6 | -48.6 | -156.5 | 162.8 | 0 | 0 | 113.8 | W39 R40 C43 I202 K203 R204 | W39-E206 HydrophobicContact CH2-CG 3.69Å; W39-E206 WeakPolarHBondContact CH2-OE1 3.44Å; W39-E206 HydrophobicContact CZ3-CB 4.37Å; W39-E206 HydrophobicContact CZ3-CG 3.48Å; W39-E206 VanDerWaalsContact CZ3-CG 3.48Å; W39-E206 WeakPolarHBondContact CZ3-OE1 3.1Å; R40-E206 IonicContact NH1-OE2 2.9Å; R40-E206 PolarHBondContact NH1-OE2 3.27Å; R40-E206 PolarHBondContact NH2-O 2.96Å; C43-E206 PolarHBondContact SG-OE1 3.06Å; C43-E206 VanDerWaalsContact SG-OE1 3.36Å; I202-E206 HydrophobicContact CG2-CG 4.24Å; I202-E206 WeakPolarHBondContact O-CG 3.22Å; I202-E206 PolarHBondContact O-N 2.78Å; K203-E206 PolarHBondContact O-N 3.21Å; R204-E206 VanDerWaalsContact C-N 3.34Å; R204-E206 PolarHBondContact O-N 3.07Å |
| 207 | F | 92 | Very high | 84.2 | Confident | 132 Ų | 132 | 63.9 Ų | 63.9 | 58% | 0.579 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -71.8 | -36.9 | -177.9 | -180 | -98.4 | 0 | 0 | 0 | 111.7 | K203 R204 S205 Q211 F262 | K203-F207 PolarHBondContact O-N 2.95Å; R204-F207 WeakPolarHBondContact O-CB 3.48Å; R204-F207 PolarHBondContact O-N 3.25Å; S205-F207 PolarHBondContact O-N 2.9Å; F207-Q211 PolarHBondContact O-NE2 2.71Å; F207-F262 HydrophobicContact CE1-CZ 4.26Å; F207-F262 HydrophobicContact CZ-CE1 4.37Å; F207-F262 HydrophobicContact CZ-CZ 4.15Å |
| 208 | V | 90.1 | Very high | 82.3 | Confident | 28 Ų | 28 | 61.1 Ų | 61.1 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -88.5 | -14.9 | -176 | -61.6 | 0 | 0 | 0 | 0 | 113.8 | I144 V169 R204 S205 G210 Q211 F225 L229 | I144-V208 HydrophobicContact CD1-CG2 3.8Å; V169-V208 VanDerWaalsContact CB-O 3.32Å; V169-V208 WeakPolarHBondContact CB-O 3.46Å; V169-V208 HydrophobicContact CG1-CB 4.49Å; V169-V208 HydrophobicContact CG1-CG2 4.06Å; R204-V208 PolarHBondContact O-N 3.49Å; S205-V208 VanDerWaalsContact O-CG2 3.29Å; S205-V208 WeakPolarHBondContact O-CG2 3.5Å; S205-V208 PolarHBondContact O-N 2.74Å; V208-G210 PolarHBondContact O-N 2.57Å; V208-Q211 WeakPolarHBondContact O-CB 3.41Å; V208-Q211 WeakPolarHBondContact O-CG 3.15Å; V208-Q211 PolarHBondContact O-N 2.66Å; V208-Q211 VanDerWaalsContact O-N 3.11Å; V208-F225 HydrophobicContact CG2-CE2 4.06Å; V208-F225 HydrophobicContact CG2-CZ 3.92Å; V208-L229 HydrophobicContact CG2-CD2 4Å |
| 209 | I | 90.6 | Very high | 80.4 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 130.3 | 176.3 | -72.9 | 165 | 0 | 0 | 0 | 110.9 | L138 I144 M171 S205 Q211 | L138-I209 HydrophobicContact CD1-CD1 4.49Å; I144-I209 HydrophobicContact CD1-CD1 4.4Å; I144-I209 HydrophobicContact CD1-CG1 3.69Å; I144-I209 HydrophobicContact CG1-CG1 4.32Å; M171-I209 HydrophobicContact CB-CD1 3.89Å; M171-I209 HydrophobicContact CB-CG1 4.32Å; M171-I209 HydrophobicContact CG-CD1 4.43Å; M171-I209 HydrophobicContact SD-CD1 4.12Å; S205-I209 WeakPolarHBondContact O-CG1 3.49Å; S205-I209 PolarHBondContact O-N 3.26Å; I209-Q211 VanDerWaalsContact C-N 3.28Å; I209-Q211 PolarHBondContact O-N 2.87Å |
| 210 | G | 85.4 | Confident | 78.9 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 49% | 0.485 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -1.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V169 V208 | V169-G210 PolarHBondContact O-N 2.71Å; V208-G210 PolarHBondContact O-N 2.57Å |
| 211 | Q | 84.9 | Confident | 77.9 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | trans | -75.8 | 140.3 | 173.4 | -60.7 | -172.4 | 17 | 0 | 0 | 110.6 | V169 F207 V208 I209 | V169-Q211 PolarHBondContact N-O 2.96Å; F207-Q211 PolarHBondContact O-NE2 2.71Å; V208-Q211 WeakPolarHBondContact O-CB 3.41Å; V208-Q211 WeakPolarHBondContact O-CG 3.15Å; V208-Q211 PolarHBondContact O-N 2.66Å; V208-Q211 VanDerWaalsContact O-N 3.11Å; I209-Q211 VanDerWaalsContact C-N 3.28Å; I209-Q211 PolarHBondContact O-N 2.87Å | ||
| 212 | E | 81.1 | Confident | 77.4 | Confident | 113 Ų | 113 | 53.5 Ų | 53.5 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 128.7 | 168.4 | -69.7 | -178.4 | -170.9 | 0 | 0 | 109.1 | K166 A167 | K166-E212 WeakPolarHBondContact CD-OE2 3.3Å; K166-E212 IonicContact NZ-OE2 3.67Å; K166-E212 PolarHBondContact NZ-OE2 2.85Å; A167-E212 CarbonylContact O-C 3.56Å; A167-E212 WeakPolarHBondContact O-CA 3.5Å |
| 213 | V | 70.9 | Confident | 77.1 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 24% | 0.242 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.1 | 173.1 | -64.2 | 0 | 0 | 0 | 0 | 108.4 | I146 A167 V169 Y215 | I146-V213 HydrophobicContact CD1-CG2 4.18Å; I146-V213 HydrophobicContact CG1-CG2 4.42Å; I146-V213 HydrophobicContact CG2-CG2 4.09Å; A167-V213 HydrophobicContact CB-CG2 3.99Å; A167-V213 PolarHBondContact N-O 3.19Å; A167-V213 PolarHBondContact O-N 3Å; V169-V213 HydrophobicContact CG2-CG1 4.21Å; V213-Y215 HydrophobicContact CG2-CD2 4.5Å; V213-Y215 HydrophobicContact CG2-CG 4.46Å; V213-Y215 PolarHBondContact O-N 2.95Å |
| 214 | A | 63.9 | Low | 76.7 | Confident | 97 Ų | 97 | 49 Ų | 49 | 80% | 0.802 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 116.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||
| 215 | Y | 51.9 | Low | 76.5 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 14% | 0.137 | 25% | 0.254 | C | S | . | . | trans | -142.3 | 130 | -163.2 | -135.2 | -131.4 | 0 | 0 | 0 | 116.3 | I146 S165 V213 N221 | I146-Y215 HydrophobicContact CD1-CD1 4.34Å; I146-Y215 HydrophobicContact CD1-CE1 3.69Å; I146-Y215 HydrophobicContact CG2-CD1 4.08Å; I146-Y215 HydrophobicContact CG2-CE1 4.32Å; S165-Y215 PolarHBondContact O-N 2.83Å; S165-Y215 PolarHBondContact OG-O 2.76Å; S165-Y215 VanDerWaalsContact OG-O 3.11Å; V213-Y215 HydrophobicContact CG2-CD2 4.5Å; V213-Y215 HydrophobicContact CG2-CG 4.46Å; V213-Y215 PolarHBondContact O-N 2.95Å; Y215-N221 HydrophobicContact CD1-CB 3.93Å; Y215-N221 HydrophobicContact CE1-CB 3.05Å; Y215-N221 VanDerWaalsContact CE1-ND2 3.33Å; Y215-N221 WeakPolarHBondContact CE1-ND2 3.39Å; Y215-N221 HydrophobicContact CE2-CB 4.13Å; Y215-N221 VanDerWaalsContact CE2-CG 3.42Å; Y215-N221 VanDerWaalsContact CE2-ND2 3.32Å; Y215-N221 WeakPolarHBondContact CE2-ND2 3.09Å; Y215-N221 WeakPolarHBondContact OH-CA 3.43Å; Y215-N221 WeakPolarHBondContact OH-CB 3.47Å; Y215-N221 PolarHBondContact OH-O 3.31Å; Y215-N221 PolarHBondContact OH-OD1 2.82Å; Y215-N221 VanDerWaalsContact OH-OD1 3.11Å | ||
| 216 | N | 56.1 | Low | 76.5 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | trans | -72.4 | 129.1 | 162.6 | -67.1 | -26.7 | 0 | 0 | 0 | 108.7 | F163 L218 N221 | F163-N216 WeakPolarHBondContact CA-OD1 2.98Å; N216-L218 PolarHBondContact O-N 3.24Å; N216-N221 PolarHBondContact O-ND2 3.09Å | ||
| 217 | L | 52 | Low | 76.5 | Confident | 37 Ų | 37 | 44.3 Ų | 44.3 | 19% | 0.194 | 25% | 0.247 | C | C | . | . | trans | -72.4 | 108 | -166.4 | -68.1 | 153.9 | 0 | 0 | 0 | 113 | P148 V154 V162 S165 | P148-L217 HydrophobicContact CB-CD2 4.27Å; P148-L217 HydrophobicContact CG-CD2 3.81Å; V154-L217 HydrophobicContact CG1-CD1 3.54Å; V154-L217 HydrophobicContact CG1-CD2 3.93Å; V154-L217 HydrophobicContact CG1-CG 4.23Å; V162-L217 HydrophobicContact CG1-CB 3.97Å; V162-L217 HydrophobicContact CG1-CD1 4.48Å; V162-L217 HydrophobicContact CG2-CD1 4.42Å; S165-L217 VanDerWaalsContact OG-CD1 3.27Å; S165-L217 WeakPolarHBondContact OG-CD1 3.49Å; S165-L217 WeakPolarHBondContact OG-CG 3.36Å | ||
| 218 | L | 58.2 | Low | 76.5 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 13% | 0.131 | 24% | 0.238 | C | C | . | . | S | Bend | 74.4 | 88.8 | 129.6 | -52.5 | 170.4 | 0 | 0 | 0 | 117.9 | P148 V154 N216 C222 | P148-L218 HydrophobicContact CG-CD1 4.27Å; V154-L218 HydrophobicContact CG1-CD1 4.45Å; V154-L218 HydrophobicContact CG2-CD1 3.85Å; N216-L218 PolarHBondContact O-N 3.24Å; L218-C222 WeakPolarHBondContact CD2-SG 3.04Å | |
| 219 | V | 56 | Low | 76.7 | Confident | 37 Ų | 37 | 40.6 Ų | 40.6 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | S | Bend | -166 | -69.5 | 127.6 | 172.9 | 0 | 0 | 0 | 0 | 106.5 | Y131 N221 C222 E223 | Y131-V219 HydrophobicContact CD2-CG2 4.2Å; Y131-V219 HydrophobicContact CG-CG2 4.4Å; V219-N221 PolarHBondContact O-N 3.33Å; V219-C222 PolarHBondContact O-N 3.01Å; V219-C222 VanDerWaalsContact O-N 3.14Å; V219-E223 PolarHBondContact O-N 2.82Å | |
| 220 | N | 64.3 | Low | 77 | Confident | 28 Ų | 28 | 39.8 Ų | 39.8 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.4 | -25.2 | -179.9 | -57.5 | -70.4 | 0 | 0 | 0 | 112.5 | H224 S236 Q238 | N220-H224 WeakPolarHBondContact O-CB 3.41Å; N220-H224 PolarHBondContact O-N 2.65Å; N220-S236 WeakPolarHBondContact O-CB 3.33Å; N220-Q238 HydrophobicContact CB-CB 4.13Å; N220-Q238 HydrophobicContact CB-CG 4.26Å; N220-Q238 VanDerWaalsContact CG-CG 3.42Å; N220-Q238 WeakPolarHBondContact ND2-CG 3.49Å; N220-Q238 PolarHBondContact ND2-NE2 3.2Å; N220-Q238 PolarHBondContact ND2-OE1 2.71Å; N220-Q238 VanDerWaalsContact ND2-OE1 3.08Å; N220-Q238 PolarHBondContact OD1-N 3.11Å |
| 221 | N | 74.9 | Confident | 77.4 | Confident | 43 Ų | 43 | 38.3 Ų | 38.3 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -79.6 | -50.4 | -172.9 | -115.2 | 19 | 0 | 0 | 0 | 108.7 | Y215 N216 V219 E223 H224 F225 | Y215-N221 HydrophobicContact CD1-CB 3.93Å; Y215-N221 HydrophobicContact CE1-CB 3.05Å; Y215-N221 VanDerWaalsContact CE1-ND2 3.33Å; Y215-N221 WeakPolarHBondContact CE1-ND2 3.39Å; Y215-N221 HydrophobicContact CE2-CB 4.13Å; Y215-N221 VanDerWaalsContact CE2-CG 3.42Å; Y215-N221 VanDerWaalsContact CE2-ND2 3.32Å; Y215-N221 WeakPolarHBondContact CE2-ND2 3.09Å; Y215-N221 WeakPolarHBondContact OH-CA 3.43Å; Y215-N221 WeakPolarHBondContact OH-CB 3.47Å; Y215-N221 PolarHBondContact OH-O 3.31Å; Y215-N221 PolarHBondContact OH-OD1 2.82Å; Y215-N221 VanDerWaalsContact OH-OD1 3.11Å; N216-N221 PolarHBondContact O-ND2 3.09Å; V219-N221 PolarHBondContact O-N 3.33Å; N221-E223 VanDerWaalsContact C-N 3.28Å; N221-E223 PolarHBondContact O-N 3.07Å; N221-H224 PolarHBondContact O-N 3.11Å; N221-F225 WeakPolarHBondContact O-CB 3.29Å; N221-F225 PolarHBondContact O-N 3.22Å |
| 222 | C | 84 | Confident | 77.5 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -39.4 | 170 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | W134 L218 V219 F225 V226 | W134-C222 HydrophobicContact CB-CB 3.95Å; L218-C222 WeakPolarHBondContact CD2-SG 3.04Å; V219-C222 PolarHBondContact O-N 3.01Å; V219-C222 VanDerWaalsContact O-N 3.14Å; C222-F225 PolarHBondContact O-N 2.88Å; C222-V226 WeakPolarHBondContact O-CG2 3.44Å; C222-V226 PolarHBondContact O-N 3.33Å; C222-V226 VanDerWaalsContact O-N 3.11Å |
| 223 | E | 88.8 | Confident | 77.5 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.3 | -49.5 | 175 | -173.4 | -177.8 | -156.4 | 0 | 0 | 111.6 | W134 K188 Y189 V219 N221 F225 V226 T227 S236 Q237 | W134-E223 HydrophobicContact CD2-CB 4.38Å; W134-E223 HydrophobicContact CD2-CG 4.32Å; W134-E223 HydrophobicContact CG-CB 4.01Å; W134-E223 HydrophobicContact CG-CG 4.46Å; K188-E223 WeakPolarHBondContact CE-OE1 2.81Å; K188-E223 IonicContact NZ-OE1 2.9Å; K188-E223 PolarHBondContact NZ-OE1 3.14Å; Y189-E223 HydrophobicContact CE2-CG 4.36Å; Y189-E223 WeakPolarHBondContact CE2-OE1 3.32Å; Y189-E223 PolarHBondContact OH-OE1 2.93Å; V219-E223 PolarHBondContact O-N 2.82Å; N221-E223 VanDerWaalsContact C-N 3.28Å; N221-E223 PolarHBondContact O-N 3.07Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 PolarHBondContact O-N 3.33Å; E223-V226 VanDerWaalsContact O-CG2 3.31Å; E223-V226 WeakPolarHBondContact O-CG2 3.32Å; E223-V226 PolarHBondContact O-N 3.4Å; E223-T227 HydrophobicContact CG-CG2 4.44Å; E223-T227 WeakPolarHBondContact O-CB 3.35Å; E223-T227 VanDerWaalsContact O-CG2 3.24Å; E223-T227 WeakPolarHBondContact O-CG2 3.19Å; E223-T227 PolarHBondContact O-N 2.81Å; E223-T227 PolarHBondContact O-OG1 2.63Å; E223-S236 WeakPolarHBondContact OE2-CA 3.33Å; E223-Q237 PolarHBondContact OE2-N 2.74Å; E223-Q237 VanDerWaalsContact OE2-N 3.11Å |
| 224 | H | 86.6 | Confident | 77.7 | Confident | 69 Ų | 69 | 35.6 Ų | 35.6 | 32% | 0.319 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.1 | -38.8 | 177.6 | -176.4 | 89.5 | 0 | 0 | 0 | 111.9 | N220 N221 T227 L228 G234 V235 | N220-H224 WeakPolarHBondContact O-CB 3.41Å; N220-H224 PolarHBondContact O-N 2.65Å; N221-H224 PolarHBondContact O-N 3.11Å; H224-T227 VanDerWaalsContact CA-OG1 3.3Å; H224-T227 WeakPolarHBondContact CA-OG1 3.36Å; H224-T227 PolarHBondContact O-OG1 3.44Å; H224-L228 VanDerWaalsContact O-CB 3.22Å; H224-L228 WeakPolarHBondContact O-CB 3.23Å; H224-L228 PolarHBondContact O-N 2.8Å; H224-G234 VanDerWaalsContact CE1-C 3.46Å; H224-G234 VanDerWaalsContact CE1-CA 3.43Å; H224-G234 WeakPolarHBondContact CE1-CA 3.35Å; H224-G234 PolarHBondContact CE1-O 3.29Å; H224-G234 WeakPolarHBondContact ND1-CA 3.48Å; H224-G234 PolarHBondContact ND1-O 3.4Å; H224-G234 WeakPolarHBondContact O-CA 3.47Å; H224-V235 WeakPolarHBondContact CA-O 3.43Å |
| 225 | F | 89.5 | Confident | 78.2 | Confident | 18 Ų | 18 | 31.2 Ų | 31.2 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.7 | -48.8 | 177.6 | 172.1 | -103.4 | 0 | 0 | 0 | 112.7 | I144 I146 V169 V208 N221 C222 E223 T227 L228 L229 | I144-F225 HydrophobicContact CD1-CE1 4.36Å; I144-F225 HydrophobicContact CD1-CZ 4Å; I144-F225 HydrophobicContact CG1-CE1 4.08Å; I144-F225 HydrophobicContact CG1-CZ 4.15Å; I146-F225 HydrophobicContact CD1-CB 3.44Å; I146-F225 VanDerWaalsContact CD1-CB 3.44Å; I146-F225 HydrophobicContact CD1-CD1 4.01Å; I146-F225 HydrophobicContact CD1-CD2 3.77Å; I146-F225 HydrophobicContact CD1-CG 3.45Å; I146-F225 VanDerWaalsContact CD1-CG 3.45Å; I146-F225 HydrophobicContact CG1-CB 4.18Å; I146-F225 HydrophobicContact CG1-CD1 3.78Å; I146-F225 HydrophobicContact CG1-CD2 4.09Å; I146-F225 HydrophobicContact CG1-CE1 4.16Å; I146-F225 HydrophobicContact CG1-CE2 4.45Å; I146-F225 HydrophobicContact CG1-CG 3.73Å; I146-F225 HydrophobicContact CG1-CZ 4.48Å; V169-F225 HydrophobicContact CB-CZ 4.42Å; V169-F225 HydrophobicContact CG1-CE1 4.26Å; V169-F225 HydrophobicContact CG1-CE2 4.23Å; V169-F225 HydrophobicContact CG1-CZ 3.51Å; V169-F225 HydrophobicContact CG2-CE2 3.96Å; V169-F225 HydrophobicContact CG2-CZ 4.01Å; V208-F225 HydrophobicContact CG2-CE2 4.06Å; V208-F225 HydrophobicContact CG2-CZ 3.92Å; N221-F225 WeakPolarHBondContact O-CB 3.29Å; N221-F225 PolarHBondContact O-N 3.22Å; C222-F225 PolarHBondContact O-N 2.88Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 PolarHBondContact O-N 3.33Å; F225-T227 VanDerWaalsContact C-N 3.33Å; F225-T227 PolarHBondContact O-N 2.58Å; F225-L228 WeakPolarHBondContact O-CB 3.34Å; F225-L228 PolarHBondContact O-N 2.77Å; F225-L229 HydrophobicContact CD1-CD1 4.27Å; F225-L229 HydrophobicContact CE1-CD1 3.6Å; F225-L229 HydrophobicContact CE2-CD1 4.15Å; F225-L229 HydrophobicContact CE2-CG 4.46Å; F225-L229 HydrophobicContact CZ-CD1 3.54Å; F225-L229 HydrophobicContact CZ-CG 4.32Å; F225-L229 WeakPolarHBondContact O-CG 2.87Å; F225-L229 PolarHBondContact O-N 2.86Å |
| 226 | V | 93 | Very high | 79.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.6 | -31.3 | -177.1 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | L123 W134 L136 C222 E223 L229 R230 | L123-V226 HydrophobicContact CD2-CB 3.87Å; L123-V226 HydrophobicContact CD2-CG2 3.86Å; W134-V226 HydrophobicContact CB-CG1 4.47Å; W134-V226 HydrophobicContact CB-CG2 3.93Å; W134-V226 HydrophobicContact CE3-CG2 4.21Å; L136-V226 HydrophobicContact CB-CB 4.13Å; L136-V226 HydrophobicContact CB-CG1 4.07Å; C222-V226 WeakPolarHBondContact O-CG2 3.44Å; C222-V226 PolarHBondContact O-N 3.33Å; C222-V226 VanDerWaalsContact O-N 3.11Å; E223-V226 VanDerWaalsContact O-CG2 3.31Å; E223-V226 WeakPolarHBondContact O-CG2 3.32Å; E223-V226 PolarHBondContact O-N 3.4Å; V226-L229 PolarHBondContact O-N 3.33Å; V226-R230 PolarHBondContact O-N 2.94Å |
| 227 | T | 92.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.8 | -38.7 | 173.6 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | L123 Y189 E223 H224 F225 L229 R230 Y231 E233 V235 | L123-T227 HydrophobicContact CD1-CG2 4.28Å; Y189-T227 HydrophobicContact CD2-CG2 3.67Å; Y189-T227 HydrophobicContact CE2-CG2 3.74Å; E223-T227 HydrophobicContact CG-CG2 4.44Å; E223-T227 WeakPolarHBondContact O-CB 3.35Å; E223-T227 VanDerWaalsContact O-CG2 3.24Å; E223-T227 WeakPolarHBondContact O-CG2 3.19Å; E223-T227 PolarHBondContact O-N 2.81Å; E223-T227 PolarHBondContact O-OG1 2.63Å; H224-T227 VanDerWaalsContact CA-OG1 3.3Å; H224-T227 WeakPolarHBondContact CA-OG1 3.36Å; H224-T227 PolarHBondContact O-OG1 3.44Å; F225-T227 VanDerWaalsContact C-N 3.33Å; F225-T227 PolarHBondContact O-N 2.58Å; T227-L229 PolarHBondContact O-N 3.08Å; T227-R230 PolarHBondContact O-N 2.9Å; T227-Y231 HydrophobicContact CG2-CD2 4.19Å; T227-Y231 HydrophobicContact CG2-CE2 4Å; T227-Y231 WeakPolarHBondContact O-CD2 3.2Å; T227-Y231 PolarHBondContact O-N 3.26Å; T227-E233 CarbonylContact C-O 3.55Å; T227-E233 VanDerWaalsContact C-O 3.24Å; T227-V235 HydrophobicContact CG2-CB 4.39Å; T227-V235 PolarHBondContact OG1-N 3.4Å; T227-V235 PolarHBondContact OG1-O 2.95Å |
| 228 | L | 91.9 | Very high | 79.9 | Confident | 76 Ų | 76 | 34.7 Ų | 34.7 | 40% | 0.398 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.5 | -37.3 | 172 | -178.3 | 68.1 | 0 | 0 | 0 | 111.8 | H224 F225 G232 E233 | H224-L228 VanDerWaalsContact O-CB 3.22Å; H224-L228 WeakPolarHBondContact O-CB 3.23Å; H224-L228 PolarHBondContact O-N 2.8Å; F225-L228 WeakPolarHBondContact O-CB 3.34Å; F225-L228 PolarHBondContact O-N 2.77Å; L228-G232 WeakPolarHBondContact O-CA 3.27Å; L228-G232 PolarHBondContact O-N 3.13Å; L228-G232 VanDerWaalsContact O-N 3.13Å; L228-E233 PolarHBondContact N-O 3.48Å |
| 229 | L | 93.9 | Very high | 79.9 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.5 | -43.5 | 175.9 | -67.7 | 176.6 | 0 | 0 | 0 | 112.8 | L136 I144 R204 V208 F225 V226 T227 | L136-L229 HydrophobicContact CD1-CB 3.87Å; I144-L229 HydrophobicContact CD1-CD1 4.16Å; I144-L229 HydrophobicContact CG2-CD1 3.87Å; R204-L229 HydrophobicContact CB-CD2 3.98Å; V208-L229 HydrophobicContact CG2-CD2 4Å; F225-L229 HydrophobicContact CD1-CD1 4.27Å; F225-L229 HydrophobicContact CE1-CD1 3.6Å; F225-L229 HydrophobicContact CE2-CD1 4.15Å; F225-L229 HydrophobicContact CE2-CG 4.46Å; F225-L229 HydrophobicContact CZ-CD1 3.54Å; F225-L229 HydrophobicContact CZ-CG 4.32Å; F225-L229 WeakPolarHBondContact O-CG 2.87Å; F225-L229 PolarHBondContact O-N 2.86Å; V226-L229 PolarHBondContact O-N 3.33Å; T227-L229 PolarHBondContact O-N 3.08Å |
| 230 | R | 96.9 | Very high | 80 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 6% | 0.064 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -76 | -44.6 | -176 | -179.3 | 172.8 | 176.9 | 95.2 | 0.4 | 113.5 | G121 D122 L123 L136 N187 D190 P195 L196 I201 V226 T227 | G121-R230 PolarHBondContact O-NH1 3.11Å; D122-R230 IonicContact OD1-NH1 3.43Å; L123-R230 HydrophobicContact CD2-CB 4.08Å; L136-R230 HydrophobicContact CD1-CB 4.04Å; N187-R230 PolarHBondContact ND2-NH2 3.06Å; D190-R230 IonicContact OD1-CZ 2.71Å; D190-R230 VanDerWaalsContact OD1-CZ 3.29Å; D190-R230 IonicContact OD1-NE 2.66Å; D190-R230 PolarHBondContact OD1-NE 3.27Å; D190-R230 IonicContact OD1-NH2 2.71Å; D190-R230 PolarHBondContact OD1-NH2 2.83Å; D190-R230 IonicContact OD2-CZ 3.86Å; D190-R230 IonicContact OD2-NH2 3.12Å; D190-R230 PolarHBondContact OD2-NH2 3.41Å; P195-R230 HydrophobicContact CB-CG 4.1Å; L196-R230 WeakPolarHBondContact CB-O 3.45Å; L196-R230 VanDerWaalsContact CG-O 3.31Å; L196-R230 WeakPolarHBondContact CG-O 3.31Å; L196-R230 PolarHBondContact N-O 3.27Å; I201-R230 HydrophobicContact CD1-CB 4.43Å; I201-R230 HydrophobicContact CD1-CG 4.03Å; V226-R230 PolarHBondContact O-N 2.94Å; T227-R230 PolarHBondContact O-N 2.9Å |
| 231 | Y | 93.9 | Very high | 79.6 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -105.9 | -14.2 | -172.1 | -53.1 | -69.3 | 0 | 0 | 0 | 112.8 | L123 Y189 D190 Y193 P195 T227 E233 | L123-Y231 HydrophobicContact CD1-CE2 4.12Å; Y189-Y231 HydrophobicContact CD2-CE2 4.21Å; Y189-Y231 HydrophobicContact CG-CE2 4.39Å; D190-Y231 PolarHBondContact N-OH 3.14Å; D190-Y231 VanDerWaalsContact OD1-CE1 3.27Å; D190-Y231 WeakPolarHBondContact OD1-CE1 3.37Å; D190-Y231 PolarHBondContact OD1-OH 3.41Å; Y193-Y231 VanDerWaalsContact O-CD1 3.23Å; Y193-Y231 WeakPolarHBondContact O-CD1 3.4Å; Y193-Y231 WeakPolarHBondContact O-CE1 3.33Å; P195-Y231 HydrophobicContact CB-CD1 4.36Å; P195-Y231 HydrophobicContact CB-CE1 4.18Å; T227-Y231 HydrophobicContact CG2-CD2 4.19Å; T227-Y231 HydrophobicContact CG2-CE2 4Å; T227-Y231 WeakPolarHBondContact O-CD2 3.2Å; T227-Y231 PolarHBondContact O-N 3.26Å; Y231-E233 PolarHBondContact O-N 2.94Å |
| 232 | G | 88.1 | Confident | 78.5 | Confident | 25 Ų | 25 | 43.4 Ų | 43.4 | 26% | 0.258 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 81.5 | -5.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L228 | L228-G232 WeakPolarHBondContact O-CA 3.27Å; L228-G232 PolarHBondContact O-N 3.13Å; L228-G232 VanDerWaalsContact O-N 3.13Å |
| 233 | E | 79.9 | Confident | 77 | Confident | 118 Ų | 118 | 49.1 Ų | 49.1 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -127.2 | 131.6 | 173.5 | -64.1 | -173.1 | 173.3 | 0 | 0 | 109.1 | T227 L228 Y231 V235 | T227-E233 CarbonylContact C-O 3.55Å; T227-E233 VanDerWaalsContact C-O 3.24Å; L228-E233 PolarHBondContact N-O 3.48Å; Y231-E233 PolarHBondContact O-N 2.94Å; E233-V235 PolarHBondContact O-N 3.09Å |
| 234 | G | 76.5 | Confident | 74.8 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | trans | -80.2 | 114.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | H224 | H224-G234 VanDerWaalsContact CE1-C 3.46Å; H224-G234 VanDerWaalsContact CE1-CA 3.43Å; H224-G234 WeakPolarHBondContact CE1-CA 3.35Å; H224-G234 PolarHBondContact CE1-O 3.29Å; H224-G234 WeakPolarHBondContact ND1-CA 3.48Å; H224-G234 PolarHBondContact ND1-O 3.4Å; H224-G234 WeakPolarHBondContact O-CA 3.47Å | ||
| 235 | V | 73.4 | Confident | 72.6 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | trans | -114.3 | 137 | 179.8 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | Y189 Y193 H224 T227 E233 | Y189-V235 HydrophobicContact CD1-CG1 4Å; Y189-V235 HydrophobicContact CE1-CG1 3.61Å; Y189-V235 HydrophobicContact CE2-CG1 4.35Å; Y193-V235 HydrophobicContact CD2-CG2 4.18Å; Y193-V235 HydrophobicContact CE1-CG2 4.12Å; Y193-V235 HydrophobicContact CE2-CG1 4.24Å; Y193-V235 HydrophobicContact CE2-CG2 3.74Å; H224-V235 WeakPolarHBondContact CA-O 3.43Å; T227-V235 HydrophobicContact CG2-CB 4.39Å; T227-V235 PolarHBondContact OG1-N 3.4Å; T227-V235 PolarHBondContact OG1-O 2.95Å; E233-V235 PolarHBondContact O-N 3.09Å | ||
| 236 | S | 71.5 | Confident | 70.4 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 5% | 0.049 | 33% | 0.331 | C | S | . | . | trans | -148 | 159.9 | 172.8 | 71.3 | 0 | 0 | 0 | 0 | 111.9 | N220 E223 Q238 A239 N240 | N220-S236 WeakPolarHBondContact O-CB 3.33Å; E223-S236 WeakPolarHBondContact OE2-CA 3.33Å; S236-Q238 PolarHBondContact O-N 2.92Å; S236-A239 PolarHBondContact O-N 2.97Å; S236-A239 VanDerWaalsContact O-N 3.13Å; S236-A239 PolarHBondContact OG-N 3.23Å; S236-N240 PolarHBondContact O-N 3.07Å | ||
| 237 | Q | 65.8 | Low | 67.7 | Low | 92 Ų | 92 | 62.2 Ų | 62.2 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58 | -35.7 | 177.7 | -78.3 | -164.1 | 54.3 | 0 | 0 | 113.1 | E223 R241 | E223-Q237 PolarHBondContact OE2-N 2.74Å; E223-Q237 VanDerWaalsContact OE2-N 3.11Å; Q237-R241 WeakPolarHBondContact O-CB 3.33Å; Q237-R241 WeakPolarHBondContact O-CG 3.44Å; Q237-R241 PolarHBondContact O-N 3.31Å |
| 238 | Q | 58.6 | Low | 65.4 | Low | 123 Ų | 123 | 72 Ų | 72 | 58% | 0.575 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68 | -42.8 | 174.9 | -86.2 | 177.9 | -4.5 | 0 | 0 | 112.7 | N220 S236 N240 R241 A242 | N220-Q238 HydrophobicContact CB-CB 4.13Å; N220-Q238 HydrophobicContact CB-CG 4.26Å; N220-Q238 VanDerWaalsContact CG-CG 3.42Å; N220-Q238 WeakPolarHBondContact ND2-CG 3.49Å; N220-Q238 PolarHBondContact ND2-NE2 3.2Å; N220-Q238 PolarHBondContact ND2-OE1 2.71Å; N220-Q238 VanDerWaalsContact ND2-OE1 3.08Å; N220-Q238 PolarHBondContact OD1-N 3.11Å; S236-Q238 PolarHBondContact O-N 2.92Å; Q238-N240 VanDerWaalsContact C-N 3.32Å; Q238-N240 PolarHBondContact O-N 3.44Å; Q238-R241 PolarHBondContact O-N 3.44Å; Q238-A242 WeakPolarHBondContact O-CB 3.38Å; Q238-A242 PolarHBondContact O-N 3Å |
| 239 | A | 57.3 | Low | 62.9 | Low | 35 Ų | 35 | 74.4 Ų | 74.4 | 29% | 0.289 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S236 A242 I243 | S236-A239 PolarHBondContact O-N 2.97Å; S236-A239 VanDerWaalsContact O-N 3.13Å; S236-A239 PolarHBondContact OG-N 3.23Å; A239-A242 PolarHBondContact O-N 2.93Å; A239-I243 VanDerWaalsContact O-CG1 3.32Å; A239-I243 WeakPolarHBondContact O-CG1 3.19Å; A239-I243 PolarHBondContact O-N 3.5Å; A239-I243 VanDerWaalsContact O-N 3.09Å |
| 240 | N | 58.9 | Low | 60.5 | Low | 62 Ų | 62 | 80.5 Ų | 80.5 | 33% | 0.332 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68 | -39.1 | 177.8 | -70.5 | -0.7 | 0 | 0 | 0 | 112.4 | S236 Q238 I243 S244 | S236-N240 PolarHBondContact O-N 3.07Å; Q238-N240 VanDerWaalsContact C-N 3.32Å; Q238-N240 PolarHBondContact O-N 3.44Å; N240-I243 PolarHBondContact O-N 2.82Å; N240-S244 WeakPolarHBondContact O-CB 3.39Å; N240-S244 PolarHBondContact O-N 3.44Å; N240-S244 PolarHBondContact O-OG 3.11Å |
| 241 | R | 56.1 | Low | 57.8 | Low | 159 Ų | 159 | 84.3 Ų | 84.3 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.4 | -43.6 | 175.1 | -76.7 | 174.2 | -169 | -119.8 | 4.2 | 111.6 | Q237 Q238 I243 S244 T245 | Q237-R241 WeakPolarHBondContact O-CB 3.33Å; Q237-R241 WeakPolarHBondContact O-CG 3.44Å; Q237-R241 PolarHBondContact O-N 3.31Å; Q238-R241 PolarHBondContact O-N 3.44Å; R241-I243 VanDerWaalsContact C-N 3.33Å; R241-I243 PolarHBondContact O-N 3.24Å; R241-S244 WeakPolarHBondContact CA-OG 3.29Å; R241-S244 PolarHBondContact O-N 3.37Å; R241-S244 PolarHBondContact O-OG 3.2Å; R241-T245 PolarHBondContact O-N 2.91Å; R241-T245 PolarHBondContact O-OG1 2.89Å |
| 242 | A | 52 | Low | 55.6 | Low | 60 Ų | 60 | 88.1 Ų | 88.1 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q238 A239 T245 V246 | Q238-A242 WeakPolarHBondContact O-CB 3.38Å; Q238-A242 PolarHBondContact O-N 3Å; A239-A242 PolarHBondContact O-N 2.93Å; A242-T245 PolarHBondContact O-N 3.34Å; A242-V246 WeakPolarHBondContact O-CG2 3.5Å; A242-V246 PolarHBondContact O-N 2.93Å |
| 243 | I | 51.6 | Low | 53.3 | Low | 121 Ų | 121 | 93.6 Ų | 93.6 | 62% | 0.621 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.1 | -41.3 | 175.9 | -64.4 | 164.2 | 0 | 0 | 0 | 111.2 | A239 N240 R241 T245 V246 | A239-I243 VanDerWaalsContact O-CG1 3.32Å; A239-I243 WeakPolarHBondContact O-CG1 3.19Å; A239-I243 PolarHBondContact O-N 3.5Å; A239-I243 VanDerWaalsContact O-N 3.09Å; N240-I243 PolarHBondContact O-N 2.82Å; R241-I243 VanDerWaalsContact C-N 3.33Å; R241-I243 PolarHBondContact O-N 3.24Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 3.4Å; I243-V246 CarbonylContact O-C 3.24Å; I243-V246 VanDerWaalsContact O-C 3.24Å; I243-V246 WeakPolarHBondContact O-CA 3.29Å; I243-V246 PolarHBondContact O-N 3.08Å; I243-V246 VanDerWaalsContact O-N 3.11Å |
| 244 | S | 43.6 | Very low | 51.7 | Low | 86 Ų | 86 | 91.1 Ų | 91.1 | 60% | 0.601 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.8 | -30.3 | 178.7 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | N240 R241 V246 G247 | N240-S244 WeakPolarHBondContact O-CB 3.39Å; N240-S244 PolarHBondContact O-N 3.44Å; N240-S244 PolarHBondContact O-OG 3.11Å; R241-S244 WeakPolarHBondContact CA-OG 3.29Å; R241-S244 PolarHBondContact O-N 3.37Å; R241-S244 PolarHBondContact O-OG 3.2Å; S244-V246 VanDerWaalsContact C-N 3.3Å; S244-G247 PolarHBondContact O-N 3.46Å |
| 245 | T | 40.9 | Very low | 50.1 | Low | 123 Ų | 123 | 94.4 Ų | 94.4 | 76% | 0.755 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -76.4 | -21.1 | 173.5 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | R241 A242 I243 G247 | R241-T245 PolarHBondContact O-N 2.91Å; R241-T245 PolarHBondContact O-OG1 2.89Å; A242-T245 PolarHBondContact O-N 3.34Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 3.4Å; T245-G247 VanDerWaalsContact C-N 3.27Å; T245-G247 PolarHBondContact O-N 2.92Å |
| 246 | V | 42 | Very low | 48.9 | Very low | 100 Ų | 100 | 104.3 Ų | 104.3 | 61% | 0.606 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 42.4 | 170.4 | -172 | 0 | 0 | 0 | 0 | 109.8 | A242 I243 S244 F248 | A242-V246 WeakPolarHBondContact O-CG2 3.5Å; A242-V246 PolarHBondContact O-N 2.93Å; I243-V246 CarbonylContact O-C 3.24Å; I243-V246 VanDerWaalsContact O-C 3.24Å; I243-V246 WeakPolarHBondContact O-CA 3.29Å; I243-V246 PolarHBondContact O-N 3.08Å; I243-V246 VanDerWaalsContact O-N 3.11Å; S244-V246 VanDerWaalsContact C-N 3.3Å; V246-F248 PolarHBondContact O-N 3.03Å |
| 247 | G | 37.3 | Very low | 47.2 | Very low | 55 Ų | 55 | 108.3 Ų | 108.3 | 57% | 0.567 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 114.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S244 T245 | S244-G247 PolarHBondContact O-N 3.46Å; T245-G247 VanDerWaalsContact C-N 3.27Å; T245-G247 PolarHBondContact O-N 2.92Å |
| 248 | F | 43.6 | Very low | 46.2 | Very low | 204 Ų | 204 | 113.4 Ų | 113.4 | 90% | 0.895 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.8 | 55.2 | 178.2 | -65.8 | -78.7 | 0 | 0 | 0 | 119.2 | V246 | V246-F248 PolarHBondContact O-N 3.03Š|
| 249 | V | 40 | Very low | 45.5 | Very low | 128 Ų | 128 | 115.4 Ų | 115.4 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | trans | -135.5 | 106.2 | 140.6 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 250 | T | 42.7 | Very low | 44.5 | Very low | 135 Ų | 135 | 117.1 Ų | 117.1 | 83% | 0.828 | 71% | 0.713 | S | S | * | * | trans | -64.7 | 131.4 | 170.4 | -39.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 251 | A | 40.8 | Very low | 43.6 | Very low | 96 Ų | 96 | 121.5 Ų | 121.5 | 79% | 0.793 | 74% | 0.736 | S | S | * | * | trans | -177.1 | 130 | 137.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 252 | A | 47.2 | Very low | 43.2 | Very low | 97 Ų | 97 | 120.8 Ų | 120.8 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | trans | -60.2 | 139.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 253 | V | 39.8 | Very low | 42.4 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | trans | -152 | 115.8 | 143.8 | 177.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 254 | G | 45.6 | Very low | 41.7 | Very low | 66 Ų | 66 | 127.7 Ų | 127.7 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | trans | -75.2 | 166.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 255 | A | 43.6 | Very low | 41.6 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | 81.2 | 83.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | S257 | A255-S257 PolarHBondContact O-N 3.24Š| ||
| 256 | F | 47.7 | Very low | 41.5 | Very low | 212 Ų | 212 | 137.6 Ų | 137.6 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | -77.8 | 100.2 | 154 | -84.5 | -75 | 0 | 0 | 0 | 109.9 | ||||
| 257 | S | 35.6 | Very low | 41.7 | Very low | 91 Ų | 91 | 143.8 Ų | 143.8 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -67.7 | 135.2 | 175.3 | -65.1 | 0 | 0 | 0 | 0 | 111.4 | A255 L259 | A255-S257 PolarHBondContact O-N 3.24Å; S257-L259 PolarHBondContact O-N 2.71Å | ||
| 258 | F | 44.8 | Very low | 41.8 | Very low | 200 Ų | 200 | 147 Ų | 147 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -68.1 | 30.4 | 173.5 | -102.4 | -81.3 | 0 | 0 | 0 | 114.9 | ||
| 259 | L | 43.5 | Very low | 41.8 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -107.6 | 95.6 | 179.6 | -90.7 | 87.1 | 0 | 0 | 0 | 111 | S257 | S257-L259 PolarHBondContact O-N 2.71Š| ||
| 260 | G | 38 | Very low | 42 | Very low | 71 Ų | 71 | 150 Ų | 150 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 172.1 | -10.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 261 | L | 40.2 | Very low | 42.5 | Very low | 154 Ų | 154 | 157.1 Ų | 157.1 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | trans | -125.9 | 56.9 | -170.9 | -71.8 | 171 | 0 | 0 | 0 | 114 | ||||
| 262 | F | 45.8 | Very low | 42.6 | Very low | 143 Ų | 143 | 160.2 Ų | 160.2 | 63% | 0.627 | 82% | 0.816 | S | S | * | * | trans | -144.2 | 106.7 | 159 | -65 | -70.2 | 0 | 0 | 0 | 110.7 | F207 K264 | F207-F262 HydrophobicContact CE1-CZ 4.26Å; F207-F262 HydrophobicContact CZ-CE1 4.37Å; F207-F262 HydrophobicContact CZ-CZ 4.15Å; F262-K264 PolarHBondContact O-N 3.38Å | ||
| 263 | P | 37.1 | Very low | 42.3 | Very low | 126 Ų | 126 | 163.5 Ų | 163.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -64.4 | 124.5 | 167.7 | 23.2 | -27.9 | 0 | 0 | 0 | 109.4 | R265 | P263-R265 PolarHBondContact O-N 3.43Å; P263-R265 VanDerWaalsContact O-N 3.12Å | ||
| 264 | K | 36.1 | Very low | 42.5 | Very low | 200 Ų | 200 | 164.9 Ų | 164.9 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | trans | -51.3 | 118.2 | 170.4 | -90.4 | 179.5 | 175.8 | 173.9 | 0 | 109 | F262 Q266 | F262-K264 PolarHBondContact O-N 3.38Å; K264-Q266 PolarHBondContact O-N 3.08Å | ||
| 265 | R | 40.8 | Very low | 42.3 | Very low | 237 Ų | 237 | 170.7 Ų | 170.7 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | trans | -57.4 | 98.4 | 167.3 | -172.6 | 178.4 | -174.5 | 176.1 | 2.4 | 109 | P263 R267 | P263-R265 PolarHBondContact O-N 3.43Å; P263-R265 VanDerWaalsContact O-N 3.12Å; R265-R267 PolarHBondContact O-N 3.06Å | ||
| 266 | Q | 39.2 | Very low | 42.2 | Very low | 180 Ų | 180 | 175.8 Ų | 175.8 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | trans | -68.1 | 112.3 | 166.3 | -76 | -117.3 | -27.9 | 0 | 0 | 107.9 | K264 T268 | K264-Q266 PolarHBondContact O-N 3.08Å; Q266-T268 PolarHBondContact O-N 2.78Å | ||
| 267 | R | 45.9 | Very low | 41.8 | Very low | 231 Ų | 231 | 173.3 Ų | 173.3 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -66.4 | 112.3 | 166.4 | -101.8 | -174.4 | 173.5 | 174.1 | -1.5 | 107.7 | R265 K269 | R265-R267 PolarHBondContact O-N 3.06Å; R267-K269 PolarHBondContact O-N 2.93Å | ||
| 268 | T | 39.2 | Very low | 42.3 | Very low | 121 Ų | 121 | 179.2 Ų | 179.2 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | trans | -64 | 115.1 | 165.6 | -35.7 | 0 | 0 | 0 | 0 | 108.4 | Q266 | Q266-T268 PolarHBondContact O-N 2.78Š| ||
| 269 | K | 44.8 | Very low | 42.1 | Very low | 173 Ų | 173 | 177.6 Ų | 177.6 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | -80.8 | 122.4 | 164.1 | -74.7 | -175.8 | 177.4 | -179.8 | 0 | 107.3 | R267 | R267-K269 PolarHBondContact O-N 2.93Š| ||
| 270 | Y | 43.2 | Very low | 42 | Very low | 222 Ų | 222 | 178.7 Ų | 178.7 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | trans | -74.3 | 127.9 | 161.4 | -76.1 | -89.6 | 0 | 0 | 0 | 107.5 | ||||
| 271 | Y | 53.3 | Low | 42.3 | Very low | 286 Ų | 286 | 188.5 Ų | 188.5 | 100% | 1.122 | 84% | 0.838 | S | S | * | * | trans | -100 | 0 | 157.5 | -89.3 | -76 | 0 | 0 | 0 | 107.9 |
Retrieved 271 of 271 residues in 369.5 ms
(Link to these results)