| 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 | 43.4 | Very low | 42.9 | Very low | 239 Ų | 239 | 170.2 Ų | 170.2 | 100% | 1.177 | 84% | 0.84 | S | S | * | * | 0 | 110.8 | 0 | -77 | 175.1 | 176.4 | 0 | 0 | 108.2 | |||||
| 2 | L | 36.8 | Very low | 42.3 | Very low | 153 Ų | 153 | 160.8 Ų | 160.8 | 80% | 0.801 | 82% | 0.82 | S | S | * | * | trans | 50 | 106 | 148.6 | -61.3 | 158.7 | 0 | 0 | 0 | 118.5 | ||||
| 3 | R | 39.3 | Very low | 42.3 | Very low | 216 Ų | 216 | 160.8 Ų | 160.8 | 82% | 0.815 | 82% | 0.822 | S | S | * | * | 83.8 | 97.2 | 71.7 | -84.7 | -165.2 | 176.7 | 173.7 | -1.1 | 115 | |||||
| 4 | I | 49.7 | Very low | 42.7 | Very low | 148 Ų | 148 | 156.6 Ų | 156.6 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | 62.4 | 175.5 | 128.9 | -13.6 | -179.5 | 0 | 0 | 0 | 118.7 | |||||
| 5 | P | 51.1 | Low | 42.8 | Very low | 91 Ų | 91 | 156.7 Ų | 156.7 | 59% | 0.591 | 82% | 0.816 | S | S | * | * | -122.9 | -179.5 | -103.6 | 41.1 | -23.6 | 0 | 0 | 0 | 112.7 | |||||
| 6 | I | 45.3 | Very low | 43.3 | Very low | 169 Ų | 169 | 153.6 Ų | 153.6 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -121.5 | 97.2 | 148.5 | -60 | 178.9 | 0 | 0 | 0 | 108.3 | ||||
| 7 | K | 40.8 | Very low | 43.5 | Very low | 190 Ų | 190 | 151.5 Ų | 151.5 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -81.1 | 128.8 | 152.7 | -69.9 | -175.3 | 176.5 | -172.8 | 0 | 107.2 | ||||
| 8 | R | 41.1 | Very low | 43.7 | Very low | 236 Ų | 236 | 155.1 Ų | 155.1 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | -149.8 | 88.3 | 148.9 | -136 | 174.8 | 174.7 | 179.1 | -2.5 | 106.1 | ||||
| 9 | A | 42.1 | Very low | 43.4 | Very low | 94 Ų | 94 | 150.5 Ų | 150.5 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | 90.3 | 125 | 90.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 10 | L | 45.3 | Very low | 43.6 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -72.5 | 177.4 | -171.6 | -67.5 | 158.4 | 0 | 0 | 0 | 112.7 | ||||
| 11 | I | 37.1 | Very low | 43.7 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | 97.9 | 119.3 | 159.3 | -49.5 | 149.7 | 0 | 0 | 0 | 111.5 | ||||
| 12 | G | 35.3 | Very low | 43.5 | Very low | 58 Ų | 58 | 147.8 Ų | 147.8 | 60% | 0.598 | 78% | 0.778 | S | S | * | * | cis | 169.7 | -169.8 | 9.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 13 | L | 42.7 | Very low | 44.1 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | 85.4 | 78.7 | 172.5 | -61.4 | 124.2 | 0 | 0 | 0 | 116.1 | ||||
| 14 | S | 48.5 | Very low | 44.5 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | -15.1 | 123.1 | 128.2 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 15 | N | 42.9 | Very low | 44.2 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -156.4 | 89.9 | 138.2 | -92.4 | -26.5 | 0 | 0 | 0 | 108.6 | ||||
| 16 | S | 50.9 | Low | 44.1 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -63.3 | 130.4 | 163.7 | -169.9 | 0 | 0 | 0 | 0 | 108.1 | K18 | S16-K18 PolarHBondContact O-N 2.86Š| ||
| 17 | P | 48.1 | Very low | 44.3 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -63.6 | 108.6 | 175.1 | 24.4 | -29.9 | 0 | 0 | 0 | 108.7 | G19 | P17-G19 PolarHBondContact O-N 3.01Š| ||
| 18 | K | 47.2 | Very low | 44.9 | Very low | 216 Ų | 216 | 130.8 Ų | 130.8 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | -58.1 | 105.8 | 163 | -76.3 | -176.4 | 176.7 | 179.3 | 0 | 107.5 | S16 | S16-K18 PolarHBondContact O-N 2.86Š| ||
| 19 | G | 38 | Very low | 45.9 | Very low | 68 Ų | 68 | 124.2 Ų | 124.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -149.6 | 69 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P17 | P17-G19 PolarHBondContact O-N 3.01Š| ||
| 20 | Y | 45.8 | Very low | 47.7 | Very low | 178 Ų | 178 | 126 Ų | 126 | 70% | 0.698 | 75% | 0.751 | S | S | * | * | trans | 51 | 75.3 | 163.3 | -161 | -119.2 | 0 | 0 | 0 | 116.5 | R22 | Y20-R22 HydrophobicContact CD1-CG 4.01Å; Y20-R22 HydrophobicContact CE1-CB 4.49Å; Y20-R22 HydrophobicContact CE1-CG 3.31Å; Y20-R22 VanDerWaalsContact CE1-NE 3.34Å; Y20-R22 HydrophobicContact CE2-CG 4.44Å; Y20-R22 PolarHBondContact O-N 2.98Å; Y20-R22 VanDerWaalsContact O-N 3.08Å; Y20-R22 PolarHBondContact OH-NE 3.41Å | ||
| 21 | V | 45.6 | Very low | 49.7 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | trans | -63.4 | 105.4 | 153.5 | 176 | 0 | 0 | 0 | 0 | 106.9 | T23 | V21-T23 HydrophobicContact CG1-CG2 3.53Å; V21-T23 PolarHBondContact O-N 3.03Å | ||
| 22 | R | 40.5 | Very low | 52.2 | Low | 187 Ų | 187 | 118 Ų | 118 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -69.5 | 81.4 | 156.2 | -94.9 | -178.8 | 175.1 | -166 | 3.9 | 107.9 | Y20 T24 | Y20-R22 HydrophobicContact CD1-CG 4.01Å; Y20-R22 HydrophobicContact CE1-CB 4.49Å; Y20-R22 HydrophobicContact CE1-CG 3.31Å; Y20-R22 VanDerWaalsContact CE1-NE 3.34Å; Y20-R22 HydrophobicContact CE2-CG 4.44Å; Y20-R22 PolarHBondContact O-N 2.98Å; Y20-R22 VanDerWaalsContact O-N 3.08Å; Y20-R22 PolarHBondContact OH-NE 3.41Å; R22-T24 PolarHBondContact O-N 3.29Å | ||
| 23 | T | 49.7 | Very low | 54.8 | Low | 120 Ų | 120 | 120.3 Ų | 120.3 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | -76.7 | 87.5 | 148.9 | 41.5 | 0 | 0 | 0 | 0 | 106.4 | V21 | V21-T23 HydrophobicContact CG1-CG2 3.53Å; V21-T23 PolarHBondContact O-N 3.03Å | ||
| 24 | T | 46.4 | Very low | 57.1 | Low | 121 Ų | 121 | 114.7 Ų | 114.7 | 74% | 0.742 | 68% | 0.677 | S | S | * | * | trans | -99.6 | 89.3 | 145.1 | 53.9 | 0 | 0 | 0 | 0 | 103.6 | R22 | R22-T24 PolarHBondContact O-N 3.29Š| ||
| 25 | G | 43.3 | Very low | 59.2 | Low | 64 Ų | 64 | 116.4 Ų | 116.4 | 66% | 0.66 | 67% | 0.672 | S | S | * | * | 84.8 | 87.6 | 85.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 26 | T | 49.8 | Very low | 61.6 | Low | 137 Ų | 137 | 109.7 Ų | 109.7 | 84% | 0.84 | 64% | 0.636 | S | S | * | * | trans | 20.5 | 102.5 | 156.1 | -37.8 | 0 | 0 | 0 | 0 | 117.4 | A28 | T26-A28 HydrophobicContact CG2-CB 4.25Š| ||
| 27 | A | 50.4 | Low | 63.4 | Low | 104 Ų | 104 | 110.8 Ų | 110.8 | 86% | 0.86 | 63% | 0.634 | S | S | * | * | trans | -100.8 | 81.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S29 | A27-S29 PolarHBondContact O-N 2.95Š| ||
| 28 | A | 51.8 | Low | 65.2 | Low | 64 Ų | 64 | 108.4 Ų | 108.4 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | trans | -59.3 | 109.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | T26 N30 | T26-A28 HydrophobicContact CG2-CB 4.25Å; A28-N30 VanDerWaalsContact C-N 3.34Å; A28-N30 PolarHBondContact O-N 2.82Å | ||
| 29 | S | 62.2 | Low | 67.3 | Low | 98 Ų | 98 | 103.2 Ų | 103.2 | 69% | 0.685 | 61% | 0.61 | S | S | * | * | trans | 13.8 | 60 | 153.8 | 63.7 | 0 | 0 | 0 | 0 | 118.5 | A27 L31 | A27-S29 PolarHBondContact O-N 2.95Å; S29-L31 PolarHBondContact O-N 3.09Å | ||
| 30 | N | 80.6 | Confident | 69.9 | Low | 131 Ų | 131 | 103.6 Ų | 103.6 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | trans | -81.8 | 43.1 | 161.7 | -71.6 | -22.3 | 0 | 0 | 0 | 109.8 | A28 I32 P45 | A28-N30 VanDerWaalsContact C-N 3.34Å; A28-N30 PolarHBondContact O-N 2.82Å; N30-I32 PolarHBondContact O-N 2.88Å; N30-P45 HydrophobicContact CB-CG 4.17Å; N30-P45 WeakPolarHBondContact O-CD 3.44Å; N30-P45 WeakPolarHBondContact O-CG 3.3Å | ||
| 31 | L | 86 | Confident | 72.1 | Confident | 80 Ų | 80 | 96 Ų | 96 | 42% | 0.419 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -73.2 | 129.1 | 178.2 | -67.5 | 172.6 | 0 | 0 | 0 | 108.3 | S29 M42 V43 E44 | S29-L31 PolarHBondContact O-N 3.09Å; L31-M42 HydrophobicContact CB-CB 4.29Å; L31-M42 HydrophobicContact CB-CE 3.8Å; L31-M42 HydrophobicContact CD1-CB 4.23Å; L31-V43 WeakPolarHBondContact CA-O 3.06Å; L31-E44 HydrophobicContact CD2-CG 3.9Å |
| 32 | I | 90.5 | Very high | 74.4 | Confident | 89 Ų | 89 | 94.9 Ų | 94.9 | 46% | 0.456 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.1 | 177.8 | -58 | 172.7 | 0 | 0 | 0 | 106.9 | N30 V34 V43 P45 | N30-I32 PolarHBondContact O-N 2.88Å; I32-V34 HydrophobicContact CG2-CG1 4.25Å; I32-V43 HydrophobicContact CB-CG2 4.39Å; I32-V43 PolarHBondContact N-O 3.38Å; I32-V43 WeakPolarHBondContact O-CG2 3.18Å; I32-V43 PolarHBondContact O-N 3.28Å; I32-P45 HydrophobicContact CD1-CB 4.05Å; I32-P45 HydrophobicContact CD1-CG 4.04Å; I32-P45 HydrophobicContact CG1-CG 4.26Å |
| 33 | E | 90.4 | Very high | 76.9 | Confident | 105 Ų | 105 | 86.4 Ų | 86.4 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.4 | 171.7 | -171.2 | 174.8 | -162.4 | 0 | 0 | 109.5 | F35 S40 M42 | E33-F35 HydrophobicContact CG-CZ 4.36Å; E33-S40 VanDerWaalsContact OE1-CB 3.25Å; E33-S40 WeakPolarHBondContact OE1-CB 3.38Å; E33-M42 HydrophobicContact CB-SD 3.77Å; E33-M42 HydrophobicContact CG-SD 3.99Å |
| 34 | V | 91.3 | Very high | 78.9 | Confident | 44 Ų | 44 | 86.8 Ų | 86.8 | 27% | 0.267 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.6 | 173.9 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | I32 S40 V41 V43 A52 | I32-V34 HydrophobicContact CG2-CG1 4.25Å; V34-S40 WeakPolarHBondContact O-CA 3.49Å; V34-V41 HydrophobicContact CG2-CB 4.08Å; V34-V41 PolarHBondContact N-O 3.4Å; V34-V41 PolarHBondContact O-N 3.38Å; V34-V43 HydrophobicContact CG1-CG2 3.9Å; V34-V43 HydrophobicContact CG2-CG1 3.92Å; V34-V43 HydrophobicContact CG2-CG2 3.87Å; V34-A52 HydrophobicContact CG2-CB 4.27Å |
| 35 | F | 92.4 | Very high | 81.1 | Confident | 137 Ų | 137 | 84.8 Ų | 84.8 | 60% | 0.601 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125 | 178 | -61 | -86 | 0 | 0 | 0 | 109.8 | E33 Q39 | E33-F35 HydrophobicContact CG-CZ 4.36Å; F35-Q39 WeakPolarHBondContact CA-O 3.44Å |
| 36 | V | 92.2 | Very high | 83.3 | Confident | 16 Ų | 16 | 85.6 Ų | 85.6 | 10% | 0.097 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 113.8 | 174.8 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | G38 Q39 V41 C53 V56 | V36-G38 PolarHBondContact O-N 3.06Å; V36-G38 VanDerWaalsContact O-N 3.09Å; V36-Q39 PolarHBondContact N-O 3.17Å; V36-Q39 WeakPolarHBondContact O-CB 3.25Å; V36-Q39 PolarHBondContact O-N 3.03Å; V36-V41 HydrophobicContact CG2-CG2 4.37Å; V36-C53 HydrophobicContact CG1-CB 4.34Å; V36-V56 HydrophobicContact CB-CG2 4.1Å; V36-V56 HydrophobicContact CG1-CG2 4.44Å; V36-V56 HydrophobicContact CG2-CG2 4.33Å |
| 37 | D | 88.6 | Confident | 85.2 | Confident | 131 Ų | 131 | 81 Ų | 81 | 70% | 0.701 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 36.7 | -177.9 | -58.2 | -33.1 | 0 | 0 | 0 | 113.7 | Q39 | D37-Q39 VanDerWaalsContact C-N 3.35Š|
| 38 | G | 87.3 | Confident | 87.3 | Confident | 69 Ų | 69 | 78.2 Ų | 78.2 | 71% | 0.711 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -2.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V36 | V36-G38 PolarHBondContact O-N 3.06Å; V36-G38 VanDerWaalsContact O-N 3.09Å |
| 39 | Q | 90.8 | Very high | 89.2 | Confident | 106 Ų | 106 | 79 Ų | 79 | 50% | 0.495 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128.1 | 174.2 | -59.2 | -175.3 | 46.6 | 0 | 0 | 110.5 | F35 V36 D37 V56 | F35-Q39 WeakPolarHBondContact CA-O 3.44Å; V36-Q39 PolarHBondContact N-O 3.17Å; V36-Q39 WeakPolarHBondContact O-CB 3.25Å; V36-Q39 PolarHBondContact O-N 3.03Å; D37-Q39 VanDerWaalsContact C-N 3.35Å; Q39-V56 HydrophobicContact CB-CG1 4.12Å; Q39-V56 VanDerWaalsContact CD-CG1 3.46Å; Q39-V56 HydrophobicContact CG-CG1 4.33Å |
| 40 | S | 91.6 | Very high | 90.7 | Very high | 76 Ų | 76 | 75 Ų | 75 | 53% | 0.531 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 136.1 | 175.8 | 58.7 | 0 | 0 | 0 | 0 | 111.5 | E33 V34 | E33-S40 VanDerWaalsContact OE1-CB 3.25Å; E33-S40 WeakPolarHBondContact OE1-CB 3.38Å; V34-S40 WeakPolarHBondContact O-CA 3.49Å |
| 41 | V | 93.1 | Very high | 91.2 | Very high | 18 Ų | 18 | 71.9 Ų | 71.9 | 11% | 0.109 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 131.6 | -178.4 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | V34 V36 V43 K55 V56 | V34-V41 HydrophobicContact CG2-CB 4.08Å; V34-V41 PolarHBondContact N-O 3.4Å; V34-V41 PolarHBondContact O-N 3.38Å; V36-V41 HydrophobicContact CG2-CG2 4.37Å; V41-V43 HydrophobicContact CB-CG1 4.47Å; V41-V43 HydrophobicContact CG1-CG1 3.77Å; V41-K55 HydrophobicContact CG1-CB 4.13Å; V41-K55 HydrophobicContact CG1-CD 4.14Å; V41-V56 HydrophobicContact CB-CG2 4.45Å; V41-V56 HydrophobicContact CG2-CG2 3.11Å |
| 42 | M | 93 | Very high | 91.6 | Very high | 95 Ų | 95 | 68.4 Ų | 68.4 | 47% | 0.468 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 115.4 | 172.3 | -58.1 | -56.8 | -78.9 | 0 | 0 | 109.4 | L31 E33 | L31-M42 HydrophobicContact CB-CB 4.29Å; L31-M42 HydrophobicContact CB-CE 3.8Å; L31-M42 HydrophobicContact CD1-CB 4.23Å; E33-M42 HydrophobicContact CB-SD 3.77Å; E33-M42 HydrophobicContact CG-SD 3.99Å |
| 43 | V | 93.3 | Very high | 91.7 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.055 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 151.1 | -179.5 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | L31 I32 V34 V41 T47 A52 K55 | L31-V43 WeakPolarHBondContact CA-O 3.06Å; I32-V43 HydrophobicContact CB-CG2 4.39Å; I32-V43 PolarHBondContact N-O 3.38Å; I32-V43 WeakPolarHBondContact O-CG2 3.18Å; I32-V43 PolarHBondContact O-N 3.28Å; V34-V43 HydrophobicContact CG1-CG2 3.9Å; V34-V43 HydrophobicContact CG2-CG1 3.92Å; V34-V43 HydrophobicContact CG2-CG2 3.87Å; V41-V43 HydrophobicContact CB-CG1 4.47Å; V41-V43 HydrophobicContact CG1-CG1 3.77Å; V43-T47 HydrophobicContact CB-CG2 4.4Å; V43-A52 HydrophobicContact CG1-CB 3.84Å; V43-K55 HydrophobicContact CG1-CD 4.34Å |
| 44 | E | 92.5 | Very high | 91.8 | Very high | 128 Ų | 128 | 61.9 Ų | 61.9 | 60% | 0.598 | 37% | 0.368 | S | S | * | . | trans | -74.7 | 145.1 | 174.6 | -66.3 | 178.1 | -178.8 | 0 | 0 | 109.9 | L31 G46 T47 | L31-E44 HydrophobicContact CD2-CG 3.9Å; E44-G46 PolarHBondContact O-N 3.23Å; E44-T47 PolarHBondContact N-OG1 2.86Å; E44-T47 VanDerWaalsContact O-CB 3.26Å; E44-T47 WeakPolarHBondContact O-CB 3.44Å; E44-T47 PolarHBondContact O-N 2.92Å; E44-T47 PolarHBondContact O-OG1 3.48Å | ||
| 45 | P | 91.9 | Very high | 91.8 | Very high | 80 Ų | 80 | 65.5 Ų | 65.5 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 129.4 | 174.1 | -22.5 | 33.7 | 0 | 0 | 0 | 110.6 | N30 I32 | N30-P45 HydrophobicContact CB-CG 4.17Å; N30-P45 WeakPolarHBondContact O-CD 3.44Å; N30-P45 WeakPolarHBondContact O-CG 3.3Å; I32-P45 HydrophobicContact CD1-CB 4.05Å; I32-P45 HydrophobicContact CD1-CG 4.04Å; I32-P45 HydrophobicContact CG1-CG 4.26Å |
| 46 | G | 89.2 | Confident | 91.8 | Very high | 81 Ų | 81 | 60.7 Ų | 60.7 | 84% | 0.835 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | -5.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | E44 | E44-G46 PolarHBondContact O-N 3.23Š|
| 47 | T | 91.3 | Very high | 91.8 | Very high | 40 Ų | 40 | 62.7 Ų | 62.7 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | trans | -62.6 | 135.3 | 169 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | V43 E44 Q51 | V43-T47 HydrophobicContact CB-CG2 4.4Å; E44-T47 PolarHBondContact N-OG1 2.86Å; E44-T47 VanDerWaalsContact O-CB 3.26Å; E44-T47 WeakPolarHBondContact O-CB 3.44Å; E44-T47 PolarHBondContact O-N 2.92Å; E44-T47 PolarHBondContact O-OG1 3.48Å; T47-Q51 HydrophobicContact CG2-CB 3.55Å | ||
| 48 | T | 93.3 | Very high | 91.8 | Very high | 45 Ų | 45 | 60.5 Ų | 60.5 | 28% | 0.276 | 37% | 0.372 | S | S | . | . | trans | -75.5 | 156.7 | 176.1 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | L50 Q51 A52 | T48-L50 PolarHBondContact O-N 3.27Å; T48-Q51 PolarHBondContact O-N 3.27Å; T48-Q51 VanDerWaalsContact O-N 3.13Å; T48-Q51 VanDerWaalsContact OG1-CD 3.31Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.47Å; T48-Q51 PolarHBondContact OG1-N 3.48Å; T48-Q51 PolarHBondContact OG1-OE1 2.85Å; T48-A52 PolarHBondContact O-N 2.88Å | ||
| 49 | V | 92.4 | Very high | 91.9 | Very high | 80 Ų | 80 | 63.4 Ų | 63.4 | 49% | 0.485 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.9 | -38.4 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | Q51 A52 C53 V80 | V49-Q51 PolarHBondContact O-N 2.75Å; V49-A52 WeakPolarHBondContact O-CB 3.42Å; V49-A52 PolarHBondContact O-N 3.14Å; V49-C53 PolarHBondContact O-N 3.27Å; V49-C53 PolarHBondContact O-SG 2.8Å; V49-V80 HydrophobicContact CG1-CG2 4.01Å |
| 50 | L | 92.8 | Very high | 92 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 178.4 | -167.1 | 146.8 | 0 | 0 | 0 | 111.9 | T48 C53 E54 R62 Y65 C78 | T48-L50 PolarHBondContact O-N 3.27Å; L50-C53 PolarHBondContact O-N 2.98Å; L50-E54 HydrophobicContact CD2-CG 4.27Å; L50-E54 WeakPolarHBondContact CD2-OE1 3.35Å; L50-E54 WeakPolarHBondContact O-CG 3.39Å; L50-E54 PolarHBondContact O-N 2.9Å; L50-R62 HydrophobicContact CD1-CB 4.3Å; L50-Y65 HydrophobicContact CD1-CD1 4.2Å; L50-Y65 HydrophobicContact CD1-CG 4.43Å; L50-Y65 HydrophobicContact CD2-CD1 4.04Å; L50-Y65 HydrophobicContact CD2-CE1 3.75Å; L50-C78 HydrophobicContact CD1-CB 4.29Å |
| 51 | Q | 92.5 | Very high | 92 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.4 | -34.5 | 177.5 | -70.6 | 163.8 | -33 | 0 | 0 | 112.4 | T47 T48 V49 E54 K55 Y65 | T47-Q51 HydrophobicContact CG2-CB 3.55Å; T48-Q51 PolarHBondContact O-N 3.27Å; T48-Q51 VanDerWaalsContact O-N 3.13Å; T48-Q51 VanDerWaalsContact OG1-CD 3.31Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.47Å; T48-Q51 PolarHBondContact OG1-N 3.48Å; T48-Q51 PolarHBondContact OG1-OE1 2.85Å; V49-Q51 PolarHBondContact O-N 2.75Å; Q51-E54 PolarHBondContact O-N 3.39Å; Q51-K55 PolarHBondContact O-N 3Å; Q51-Y65 PolarHBondContact NE2-OH 3.45Å |
| 52 | A | 93 | Very high | 92 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V34 V43 T48 V49 K55 | V34-A52 HydrophobicContact CG2-CB 4.27Å; V43-A52 HydrophobicContact CG1-CB 3.84Å; T48-A52 PolarHBondContact O-N 2.88Å; V49-A52 WeakPolarHBondContact O-CB 3.42Å; V49-A52 PolarHBondContact O-N 3.14Å; A52-K55 PolarHBondContact O-N 3.39Å |
| 53 | C | 93.1 | Very high | 92 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 8% | 0.081 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66 | -39.8 | 175.6 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | V36 V49 L50 K55 V56 G57 M58 I60 | V36-C53 HydrophobicContact CG1-CB 4.34Å; V49-C53 PolarHBondContact O-N 3.27Å; V49-C53 PolarHBondContact O-SG 2.8Å; L50-C53 PolarHBondContact O-N 2.98Å; C53-K55 PolarHBondContact O-N 3.03Å; C53-V56 PolarHBondContact O-N 3.43Å; C53-G57 PolarHBondContact O-N 2.7Å; C53-M58 CarbonylContact C-O 3.25Å; C53-M58 VanDerWaalsContact C-O 3.25Å; C53-M58 HydrophobicContact CB-CB 4.16Å; C53-M58 PolarHBondContact O-N 3.04Å; C53-I60 HydrophobicContact CB-CD1 3.8Å; C53-I60 HydrophobicContact CB-CG1 4.3Å |
| 54 | E | 92.4 | Very high | 92.1 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61 | -32.4 | 177.4 | -74.9 | -177.7 | 165.2 | 0 | 0 | 112.3 | L50 Q51 V56 G57 M58 R62 | L50-E54 HydrophobicContact CD2-CG 4.27Å; L50-E54 WeakPolarHBondContact CD2-OE1 3.35Å; L50-E54 WeakPolarHBondContact O-CG 3.39Å; L50-E54 PolarHBondContact O-N 2.9Å; Q51-E54 PolarHBondContact O-N 3.39Å; E54-V56 PolarHBondContact O-N 3.13Å; E54-G57 PolarHBondContact O-N 3.39Å; E54-M58 PolarHBondContact N-O 3.22Å; E54-R62 IonicContact OE1-CZ 3.75Å; E54-R62 IonicContact OE1-NE 3.83Å; E54-R62 IonicContact OE1-NH2 2.9Å; E54-R62 PolarHBondContact OE1-NH2 3.3Å |
| 55 | K | 91.3 | Very high | 92.2 | Very high | 120 Ų | 120 | 54.6 Ų | 54.6 | 52% | 0.522 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.6 | -25.1 | 174.8 | -72.6 | -175.6 | 178.1 | -166.9 | 0 | 113.7 | V41 V43 Q51 A52 C53 G57 | V41-K55 HydrophobicContact CG1-CB 4.13Å; V41-K55 HydrophobicContact CG1-CD 4.14Å; V43-K55 HydrophobicContact CG1-CD 4.34Å; Q51-K55 PolarHBondContact O-N 3Å; A52-K55 PolarHBondContact O-N 3.39Å; C53-K55 PolarHBondContact O-N 3.03Å; K55-G57 VanDerWaalsContact C-N 3.31Å |
| 56 | V | 93.3 | Very high | 92.3 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 21% | 0.212 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -3.1 | 175.9 | -168.2 | 0 | 0 | 0 | 0 | 111.4 | V36 Q39 V41 C53 E54 M58 | V36-V56 HydrophobicContact CB-CG2 4.1Å; V36-V56 HydrophobicContact CG1-CG2 4.44Å; V36-V56 HydrophobicContact CG2-CG2 4.33Å; Q39-V56 HydrophobicContact CB-CG1 4.12Å; Q39-V56 VanDerWaalsContact CD-CG1 3.46Å; Q39-V56 HydrophobicContact CG-CG1 4.33Å; V41-V56 HydrophobicContact CB-CG2 4.45Å; V41-V56 HydrophobicContact CG2-CG2 3.11Å; C53-V56 PolarHBondContact O-N 3.43Å; E54-V56 PolarHBondContact O-N 3.13Å; V56-M58 VanDerWaalsContact C-N 3.34Å |
| 57 | G | 90.3 | Very high | 92.4 | Very high | 58 Ų | 58 | 55.5 Ų | 55.5 | 60% | 0.598 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 10 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C53 E54 K55 | C53-G57 PolarHBondContact O-N 2.7Å; E54-G57 PolarHBondContact O-N 3.39Å; K55-G57 VanDerWaalsContact C-N 3.31Å |
| 58 | M | 89.5 | Confident | 92.5 | Very high | 85 Ų | 85 | 64 Ų | 64 | 42% | 0.419 | 32% | 0.317 | S | S | . | . | trans | -88.8 | 113.5 | 175.1 | -73.1 | -63 | -172.1 | 0 | 0 | 110.8 | C53 E54 V56 | C53-M58 CarbonylContact C-O 3.25Å; C53-M58 VanDerWaalsContact C-O 3.25Å; C53-M58 HydrophobicContact CB-CB 4.16Å; C53-M58 PolarHBondContact O-N 3.04Å; E54-M58 PolarHBondContact N-O 3.22Å; V56-M58 VanDerWaalsContact C-N 3.34Å | ||
| 59 | Q | 90.5 | Very high | 92.6 | Very high | 130 Ų | 130 | 63 Ų | 63 | 61% | 0.607 | 31% | 0.31 | S | S | * | . | trans | -95.5 | 105.9 | 179.8 | -74.1 | -72.6 | -30.8 | 0 | 0 | 110.8 | ||||
| 60 | I | 92.1 | Very high | 92.6 | Very high | 22 Ų | 22 | 61.3 Ų | 61.3 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | trans | -81.1 | 129.7 | 175.5 | -61.9 | 168.8 | 0 | 0 | 0 | 109.4 | C53 C78 V80 | C53-I60 HydrophobicContact CB-CD1 3.8Å; C53-I60 HydrophobicContact CB-CG1 4.3Å; I60-C78 HydrophobicContact CG2-CB 3.63Å; I60-V80 HydrophobicContact CD1-CG1 3.72Å; I60-V80 HydrophobicContact CG1-CG1 4.43Å | ||
| 61 | P | 92.1 | Very high | 92.6 | Very high | 37 Ų | 37 | 65.8 Ų | 65.8 | 24% | 0.24 | 33% | 0.329 | C | S | . | . | trans | -69.1 | 139.7 | -179.7 | 25.7 | -30.4 | 0 | 0 | 0 | 112.1 | M77 F93 | P61-M77 HydrophobicContact CB-CE 4.24Å; P61-M77 HydrophobicContact CB-CG 4.12Å; P61-M77 HydrophobicContact CG-CE 4.11Å; P61-M77 HydrophobicContact CG-CG 4.25Å; P61-M77 CarbonylContact O-C 3.48Å; P61-F93 HydrophobicContact CB-CE1 4.37Å; P61-F93 HydrophobicContact CG-CD1 3.28Å; P61-F93 HydrophobicContact CG-CD2 4.43Å; P61-F93 HydrophobicContact CG-CE1 2.89Å; P61-F93 HydrophobicContact CG-CE2 4.1Å; P61-F93 HydrophobicContact CG-CG 4.07Å; P61-F93 HydrophobicContact CG-CZ 3.34Å | ||
| 62 | R | 91.5 | Very high | 92.6 | Very high | 65 Ų | 65 | 63.6 Ų | 63.6 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | trans | -145.7 | 134.2 | -169.2 | 44.2 | 170 | 163.6 | 129.8 | -19 | 111 | L50 E54 Y65 E67 | L50-R62 HydrophobicContact CD1-CB 4.3Å; E54-R62 IonicContact OE1-CZ 3.75Å; E54-R62 IonicContact OE1-NE 3.83Å; E54-R62 IonicContact OE1-NH2 2.9Å; E54-R62 PolarHBondContact OE1-NH2 3.3Å; R62-Y65 VanDerWaalsContact CD-CD1 3.49Å; R62-E67 IonicContact CZ-OE1 3.59Å; R62-E67 IonicContact NH1-OE1 3.48Å; R62-E67 PolarHBondContact NH1-OE1 3.48Å; R62-E67 IonicContact NH2-OE1 2.82Å; R62-E67 PolarHBondContact NH2-OE1 2.82Å | ||
| 63 | F | 94.2 | Very high | 92.5 | Very high | 103 Ų | 103 | 65.4 Ų | 65.4 | 45% | 0.452 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -108.8 | -42.7 | 172.1 | -69 | -65.1 | 0 | 0 | 0 | 113.8 | C75 M77 I124 R128 | F63-C75 HydrophobicContact CB-CB 3.86Å; F63-C75 HydrophobicContact CD2-CB 4.37Å; F63-M77 HydrophobicContact CD2-CB 3.83Å; F63-M77 HydrophobicContact CD2-CG 3.92Å; F63-M77 HydrophobicContact CD2-SD 4.5Å; F63-M77 HydrophobicContact CE2-CB 4.21Å; F63-M77 HydrophobicContact CE2-CE 4.5Å; F63-M77 HydrophobicContact CE2-CG 3.81Å; F63-M77 HydrophobicContact CE2-SD 3.93Å; F63-I124 HydrophobicContact CB-CD1 3.67Å; F63-I124 HydrophobicContact CD1-CD1 3.79Å; F63-I124 HydrophobicContact CD2-CD1 4.21Å; F63-I124 HydrophobicContact CE1-CD1 4.48Å; F63-I124 HydrophobicContact CG-CD1 3.64Å; F63-R128 PolarHBondContact O-NE 3.22Å; F63-R128 PolarHBondContact O-NH2 3.06Å |
| 64 | C | 94.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.027 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -87.1 | -36.8 | -177.9 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | A72 C75 C126 R131 | C64-A72 HydrophobicContact CB-CB 4.45Å; C64-A72 PolarHBondContact SG-O 3.23Å; C64-C75 HydrophobicContact CB-CB 4.32Å; C64-C75 PolarHBondContact SG-SG 2.91Å; C64-C126 HydrophobicContact CB-CB 4.06Å; C64-C126 WeakPolarHBondContact CB-O 3.26Å; C64-R131 PolarHBondContact O-NH2 3.07Å |
| 65 | Y | 94.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 68.9 Ų | 68.9 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | trans | -66.7 | 138.8 | -177.5 | -179.4 | -95 | 0 | 0 | 0 | 112.7 | L50 Q51 R62 E67 V71 R128 | L50-Y65 HydrophobicContact CD1-CD1 4.2Å; L50-Y65 HydrophobicContact CD1-CG 4.43Å; L50-Y65 HydrophobicContact CD2-CD1 4.04Å; L50-Y65 HydrophobicContact CD2-CE1 3.75Å; Q51-Y65 PolarHBondContact NE2-OH 3.45Å; R62-Y65 VanDerWaalsContact CD-CD1 3.49Å; Y65-E67 HydrophobicContact CE1-CG 4.01Å; Y65-V71 HydrophobicContact CD2-CG2 4.39Å; Y65-V71 HydrophobicContact CE2-CG2 4.11Å; Y65-R128 PolarHBondContact O-NH2 3.49Å | ||
| 66 | H | 94.5 | Very high | 92.5 | Very high | 61 Ų | 61 | 71 Ų | 71 | 28% | 0.282 | 37% | 0.368 | S | S | . | . | trans | -148.1 | 134.5 | 172.3 | -176.7 | -84.4 | 0 | 0 | 0 | 107.6 | R68 L69 | H66-R68 PolarHBondContact ND1-N 2.86Å; H66-R68 PolarHBondContact O-N 2.73Å; H66-R68 VanDerWaalsContact O-N 3.17Å; H66-L69 HydrophobicContact CB-CB 4.23Å; H66-L69 HydrophobicContact CB-CD1 4.06Å; H66-L69 HydrophobicContact CB-CG 4.31Å; H66-L69 PolarHBondContact O-N 3.25Å; H66-L69 VanDerWaalsContact O-N 3.1Å; H66-L69 VanDerWaalsContact O-O 3.05Å | ||
| 67 | E | 91.6 | Very high | 92.4 | Very high | 119 Ų | 119 | 72.2 Ų | 72.2 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30.1 | -170 | -70.3 | 145.2 | -132.7 | 0 | 0 | 114.1 | R62 Y65 | R62-E67 IonicContact CZ-OE1 3.59Å; R62-E67 IonicContact NH1-OE1 3.48Å; R62-E67 PolarHBondContact NH1-OE1 3.48Å; R62-E67 IonicContact NH2-OE1 2.82Å; R62-E67 PolarHBondContact NH2-OE1 2.82Å; Y65-E67 HydrophobicContact CE1-CG 4.01Å |
| 68 | R | 93.5 | Very high | 92.4 | Very high | 219 Ų | 219 | 71.9 Ų | 71.9 | 83% | 0.826 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 1.3 | -179.6 | -51.4 | -173.8 | -159.1 | 141.1 | 4.4 | 114.9 | H66 | H66-R68 PolarHBondContact ND1-N 2.86Å; H66-R68 PolarHBondContact O-N 2.73Å; H66-R68 VanDerWaalsContact O-N 3.17Å |
| 69 | L | 94.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 72.2 Ų | 72.2 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -117.8 | 162.3 | 178.7 | -64.3 | 173.4 | 0 | 0 | 0 | 108.9 | H66 R128 F132 | H66-L69 HydrophobicContact CB-CB 4.23Å; H66-L69 HydrophobicContact CB-CD1 4.06Å; H66-L69 HydrophobicContact CB-CG 4.31Å; H66-L69 PolarHBondContact O-N 3.25Å; H66-L69 VanDerWaalsContact O-N 3.1Å; H66-L69 VanDerWaalsContact O-O 3.05Å; L69-R128 HydrophobicContact CD1-CG 3.8Å; L69-F132 HydrophobicContact CD1-CB 4.06Å; L69-F132 HydrophobicContact CD1-CD2 4.48Å; L69-F132 HydrophobicContact CD2-CB 4.24Å; L69-F132 HydrophobicContact CD2-CD2 4.2Å |
| 70 | S | 93.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 69.3 Ų | 69.3 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | trans | -52.2 | 156.4 | 173.1 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | R131 E135 | S70-R131 PolarHBondContact O-NH1 2.98Å; S70-R131 WeakPolarHBondContact OG-CD 3.12Å; S70-R131 PolarHBondContact OG-NH1 2.84Å; S70-R131 VanDerWaalsContact OG-NH1 3.16Å; S70-E135 WeakPolarHBondContact CB-OE1 3.34Å; S70-E135 PolarHBondContact N-OE2 3.03Å; S70-E135 PolarHBondContact OG-OE1 3.1Å | ||
| 71 | V | 92.3 | Very high | 92.1 | Very high | 109 Ų | 109 | 73.8 Ų | 73.8 | 66% | 0.661 | 37% | 0.374 | S | S | * | . | trans | -78.9 | 131.4 | 176.2 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | Y65 | Y65-V71 HydrophobicContact CD2-CG2 4.39Å; Y65-V71 HydrophobicContact CE2-CG2 4.11Å | ||
| 72 | A | 92.6 | Very high | 91.8 | Very high | 21 Ų | 21 | 76.8 Ų | 76.8 | 17% | 0.174 | 39% | 0.387 | C | S | . | . | trans | -131.3 | 149 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C64 | C64-A72 HydrophobicContact CB-CB 4.45Å; C64-A72 PolarHBondContact SG-O 3.23Å | ||
| 73 | G | 91.1 | Very high | 91.4 | Very high | 44 Ų | 44 | 82.6 Ų | 82.6 | 45% | 0.454 | 42% | 0.417 | S | S | . | . | trans | -110.2 | 23.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R76 | G73-R76 WeakPolarHBondContact O-CD 3.01Å; G73-R76 PolarHBondContact O-NE 3.27Å | ||
| 74 | N | 93.4 | Very high | 90.8 | Very high | 95 Ų | 95 | 87.3 Ų | 87.3 | 51% | 0.508 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -78.4 | -27.9 | -168.7 | -68.4 | -17.6 | 0 | 0 | 0 | 114.8 | T127 | N74-T127 VanDerWaalsContact ND2-CG2 3.32Å; N74-T127 WeakPolarHBondContact ND2-CG2 3.47Å; N74-T127 PolarHBondContact ND2-OG1 2.83Å |
| 75 | C | 91.6 | Very high | 90.1 | Very high | 35 Ų | 35 | 89.2 Ų | 89.2 | 24% | 0.236 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -99.9 | -20.5 | -171.9 | 78.6 | 0 | 0 | 0 | 0 | 115.7 | F63 C64 M77 | F63-C75 HydrophobicContact CB-CB 3.86Å; F63-C75 HydrophobicContact CD2-CB 4.37Å; C64-C75 HydrophobicContact CB-CB 4.32Å; C64-C75 PolarHBondContact SG-SG 2.91Å; C75-M77 PolarHBondContact O-N 3.31Å |
| 76 | R | 91.4 | Very high | 89.1 | Confident | 166 Ų | 166 | 94 Ų | 94 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | trans | 49.1 | 21.9 | -178.8 | -52.2 | -56.5 | -177.1 | 117.2 | 1.9 | 116.1 | G73 C78 L79 | G73-R76 WeakPolarHBondContact O-CD 3.01Å; G73-R76 PolarHBondContact O-NE 3.27Å; R76-C78 VanDerWaalsContact C-N 3.31Å; R76-C78 PolarHBondContact O-N 2.95Å; R76-L79 HydrophobicContact CB-CD1 4.03Å; R76-L79 HydrophobicContact CB-CG 4.25Å; R76-L79 WeakPolarHBondContact O-CD1 3.29Å; R76-L79 VanDerWaalsContact O-CG 3.29Å; R76-L79 WeakPolarHBondContact O-CG 3.46Å | ||
| 77 | M | 90.3 | Very high | 87.4 | Confident | 60 Ų | 60 | 98.8 Ų | 98.8 | 30% | 0.296 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -24.4 | 178.9 | -167.9 | 65.5 | -176.4 | 0 | 0 | 112.9 | P61 F63 C75 L79 F93 | P61-M77 HydrophobicContact CB-CE 4.24Å; P61-M77 HydrophobicContact CB-CG 4.12Å; P61-M77 HydrophobicContact CG-CE 4.11Å; P61-M77 HydrophobicContact CG-CG 4.25Å; P61-M77 CarbonylContact O-C 3.48Å; F63-M77 HydrophobicContact CD2-CB 3.83Å; F63-M77 HydrophobicContact CD2-CG 3.92Å; F63-M77 HydrophobicContact CD2-SD 4.5Å; F63-M77 HydrophobicContact CE2-CB 4.21Å; F63-M77 HydrophobicContact CE2-CE 4.5Å; F63-M77 HydrophobicContact CE2-CG 3.81Å; F63-M77 HydrophobicContact CE2-SD 3.93Å; C75-M77 PolarHBondContact O-N 3.31Å; M77-L79 VanDerWaalsContact C-N 3.32Å; M77-L79 PolarHBondContact O-N 3.48Å; M77-F93 HydrophobicContact CE-CB 4.42Å; M77-F93 HydrophobicContact CE-CD1 3.9Å |
| 78 | C | 91.1 | Very high | 86 | Confident | 51 Ų | 51 | 98.5 Ų | 98.5 | 35% | 0.345 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 24.8 | -177.4 | 64.6 | 0 | 0 | 0 | 0 | 113.3 | L50 I60 R76 | L50-C78 HydrophobicContact CD1-CB 4.29Å; I60-C78 HydrophobicContact CG2-CB 3.63Å; R76-C78 VanDerWaalsContact C-N 3.31Å; R76-C78 PolarHBondContact O-N 2.95Å |
| 79 | L | 89.4 | Confident | 84.1 | Confident | 91 Ų | 91 | 97.8 Ų | 97.8 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | trans | -66.2 | 133.6 | 175.5 | -72.1 | 172.1 | 0 | 0 | 0 | 109.5 | R76 M77 | R76-L79 HydrophobicContact CB-CD1 4.03Å; R76-L79 HydrophobicContact CB-CG 4.25Å; R76-L79 WeakPolarHBondContact O-CD1 3.29Å; R76-L79 VanDerWaalsContact O-CG 3.29Å; R76-L79 WeakPolarHBondContact O-CG 3.46Å; M77-L79 VanDerWaalsContact C-N 3.32Å; M77-L79 PolarHBondContact O-N 3.48Å | ||
| 80 | V | 88.1 | Confident | 82.1 | Confident | 69 Ų | 69 | 100.4 Ų | 100.4 | 42% | 0.418 | 54% | 0.535 | S | S | . | . | trans | -133 | 148.9 | 179.7 | -64.6 | 0 | 0 | 0 | 0 | 109.6 | V49 I60 | V49-V80 HydrophobicContact CG1-CG2 4.01Å; I60-V80 HydrophobicContact CD1-CG1 3.72Å; I60-V80 HydrophobicContact CG1-CG1 4.43Å | ||
| 81 | E | 87.4 | Confident | 80 | Confident | 116 Ų | 116 | 106.7 Ų | 106.7 | 54% | 0.542 | 56% | 0.562 | S | S | . | * | trans | -80 | 140.1 | 173 | -171.2 | 179.1 | 169.1 | 0 | 0 | 109.6 | K87 | E81-K87 WeakPolarHBondContact OE1-CD 3.44Å; E81-K87 WeakPolarHBondContact OE1-CE 3.1Å; E81-K87 VanDerWaalsContact OE1-CG 3.3Å; E81-K87 WeakPolarHBondContact OE1-CG 3.35Å; E81-K87 IonicContact OE1-NZ 3.17Å; E81-K87 PolarHBondContact OE1-NZ 3.2Å; E81-K87 VanDerWaalsContact OE1-NZ 3.17Å | ||
| 82 | I | 87.8 | Confident | 78.4 | Confident | 100 Ų | 100 | 108.8 Ų | 108.8 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | trans | -120.4 | 134.1 | 172.9 | -59.8 | 174.3 | 0 | 0 | 0 | 106.2 | K84 A85 | I82-K84 PolarHBondContact O-N 3.08Å; I82-A85 HydrophobicContact CB-CB 4.03Å; I82-A85 PolarHBondContact O-N 3.01Å | ||
| 83 | E | 83 | Confident | 77.1 | Confident | 187 Ų | 187 | 113.3 Ų | 113.3 | 87% | 0.874 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -8.3 | -168.1 | -65.4 | -175.3 | 154.9 | 0 | 0 | 116.4 | ||
| 84 | K | 81.1 | Confident | 76.4 | Confident | 203 Ų | 203 | 114.5 Ų | 114.5 | 88% | 0.883 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | 7.8 | 177.7 | -63.1 | -179.9 | -178.5 | 173.4 | 0 | 113.9 | I82 | I82-K84 PolarHBondContact O-N 3.08Š|
| 85 | A | 79.6 | Confident | 76.1 | Confident | 44 Ų | 44 | 114.4 Ų | 114.4 | 36% | 0.364 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -91.1 | 154.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | I82 K87 | I82-A85 HydrophobicContact CB-CB 4.03Å; I82-A85 PolarHBondContact O-N 3.01Å; A85-K87 PolarHBondContact O-N 2.92Å |
| 86 | P | 74.3 | Confident | 75.9 | Confident | 118 Ų | 118 | 120 Ų | 120 | 77% | 0.766 | 63% | 0.628 | S | S | * | * | trans | -51.6 | 129.8 | 170.6 | -22.6 | 32.4 | 0 | 0 | 0 | 110 | D88 | P86-D88 PolarHBondContact O-N 3.26Å; P86-D88 VanDerWaalsContact O-N 3.14Å | ||
| 87 | K | 59.2 | Low | 75.8 | Confident | 161 Ų | 161 | 120.8 Ų | 120.8 | 70% | 0.7 | 63% | 0.632 | S | S | * | * | trans | -72.6 | 106.6 | -178.5 | -60.3 | -164 | 174.5 | -149.2 | 0 | 109.9 | E81 A85 | E81-K87 WeakPolarHBondContact OE1-CD 3.44Å; E81-K87 WeakPolarHBondContact OE1-CE 3.1Å; E81-K87 VanDerWaalsContact OE1-CG 3.3Å; E81-K87 WeakPolarHBondContact OE1-CG 3.35Å; E81-K87 IonicContact OE1-NZ 3.17Å; E81-K87 PolarHBondContact OE1-NZ 3.2Å; E81-K87 VanDerWaalsContact OE1-NZ 3.17Å; A85-K87 PolarHBondContact O-N 2.92Å | ||
| 88 | D | 60.9 | Low | 75.8 | Confident | 113 Ų | 113 | 122.1 Ų | 122.1 | 60% | 0.604 | 65% | 0.647 | S | S | * | * | trans | -75.6 | 126.6 | 165.3 | -75.5 | -22.2 | 0 | 0 | 0 | 108.8 | P86 S90 | P86-D88 PolarHBondContact O-N 3.26Å; P86-D88 VanDerWaalsContact O-N 3.14Å; D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 3.17Å | ||
| 89 | Q | 54.8 | Low | 75.8 | Confident | 204 Ų | 204 | 130.3 Ų | 130.3 | 95% | 0.953 | 67% | 0.67 | S | S | * | * | trans | -72.5 | 83.1 | 173.3 | -67.9 | -172.4 | -9.4 | 0 | 0 | 109.6 | ||||
| 90 | S | 51.4 | Low | 76 | Confident | 76 Ų | 76 | 130.9 Ų | 130.9 | 53% | 0.531 | 67% | 0.669 | S | S | . | * | trans | -139.7 | 98.3 | 167 | 65 | 0 | 0 | 0 | 0 | 110.1 | D88 | D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 3.17Å | ||
| 91 | M | 49.2 | Very low | 76.3 | Confident | 178 Ų | 178 | 135.6 Ų | 135.6 | 88% | 0.877 | 69% | 0.691 | S | S | * | * | trans | -91.6 | 117.6 | 172.3 | -60 | -160.3 | 93.6 | 0 | 0 | 110.5 | F93 | M91-F93 PolarHBondContact O-N 3.27Š| ||
| 92 | M | 58.7 | Low | 76.7 | Confident | 152 Ų | 152 | 137.1 Ų | 137.1 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 65.4 | 36.7 | 140.2 | -64.2 | -68.8 | 128.7 | 0 | 0 | 120.6 | ||
| 93 | F | 66.5 | Low | 77 | Confident | 117 Ų | 117 | 135.8 Ų | 135.8 | 51% | 0.513 | 71% | 0.71 | S | S | . | * | S | Bend | trans | 80.9 | 155.7 | 172 | -41.9 | -54.4 | 0 | 0 | 0 | 115.1 | P61 M77 M91 | P61-F93 HydrophobicContact CB-CE1 4.37Å; P61-F93 HydrophobicContact CG-CD1 3.28Å; P61-F93 HydrophobicContact CG-CD2 4.43Å; P61-F93 HydrophobicContact CG-CE1 2.89Å; P61-F93 HydrophobicContact CG-CE2 4.1Å; P61-F93 HydrophobicContact CG-CG 4.07Å; P61-F93 HydrophobicContact CG-CZ 3.34Å; M77-F93 HydrophobicContact CE-CB 4.42Å; M77-F93 HydrophobicContact CE-CD1 3.9Å; M91-F93 PolarHBondContact O-N 3.27Å |
| 94 | G | 75.6 | Confident | 77.6 | Confident | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | trans | -51.1 | 154.9 | -151.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 95 | S | 85.9 | Confident | 78.3 | Confident | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 68% | 0.682 | S | S | * | * | trans | -60.4 | 144.4 | 178.8 | 59 | 0 | 0 | 0 | 0 | 112.4 | R97 | S95-R97 PolarHBondContact O-N 3.1Å; S95-R97 PolarHBondContact OG-O 2.74Å | ||
| 96 | D | 89.3 | Confident | 79.1 | Confident | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -58.8 | -30 | 176.6 | 65.1 | -37.7 | 0 | 0 | 0 | 113.4 | ||
| 97 | R | 88.4 | Confident | 80.1 | Confident | 184 Ų | 184 | 129.3 Ų | 129.3 | 69% | 0.694 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -121.7 | 145.4 | 179.2 | 60.7 | -167.7 | 155.2 | 172.4 | -3.1 | 112.3 | S95 | S95-R97 PolarHBondContact O-N 3.1Å; S95-R97 PolarHBondContact OG-O 2.74Å |
| 98 | S | 89.6 | Confident | 81.8 | Confident | 87 Ų | 87 | 129.7 Ų | 129.7 | 61% | 0.608 | 68% | 0.678 | S | S | * | * | trans | -81.8 | 137.5 | 169.5 | -166 | 0 | 0 | 0 | 0 | 110 | F100 | S98-F100 PolarHBondContact OG-N 2.61Š| ||
| 99 | R | 91.9 | Very high | 83.4 | Confident | 224 Ų | 224 | 128.7 Ų | 128.7 | 85% | 0.845 | 67% | 0.673 | S | S | * | * | trans | -92.7 | -2.1 | 169.2 | -62.9 | -176.8 | -68.1 | 130.8 | -2.1 | 112.5 | L101 | R99-L101 PolarHBondContact O-N 3.45Š| ||
| 100 | F | 93.7 | Very high | 85.3 | Confident | 103 Ų | 103 | 123.4 Ų | 123.4 | 45% | 0.452 | 65% | 0.647 | S | S | . | * | trans | -86 | 113.1 | -174.3 | -172.6 | -98.4 | 0 | 0 | 0 | 110.4 | S98 E102 K104 | S98-F100 PolarHBondContact OG-N 2.61Å; F100-E102 HydrophobicContact CE1-CB 4.07Å; F100-E102 WeakPolarHBondContact CE1-O 3.36Å; F100-E102 HydrophobicContact CE2-CB 4.12Å; F100-E102 HydrophobicContact CZ-CB 3.7Å; F100-K104 HydrophobicContact CD1-CG 4.41Å; F100-K104 HydrophobicContact CE1-CG 4.05Å | ||
| 101 | L | 94.8 | Very high | 87.3 | Confident | 167 Ų | 167 | 127.1 Ų | 127.1 | 87% | 0.874 | 66% | 0.661 | S | S | * | * | trans | -104.1 | -12.2 | -174.8 | -60.8 | 176.7 | 0 | 0 | 0 | 113.7 | R99 | R99-L101 PolarHBondContact O-N 3.45Š| ||
| 102 | E | 95.8 | Very high | 89.4 | Confident | 148 Ų | 148 | 124.1 Ų | 124.1 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -81.4 | 171.2 | -176.2 | -63.2 | 175.2 | -177.1 | 0 | 0 | 112.6 | F100 K104 | F100-E102 HydrophobicContact CE1-CB 4.07Å; F100-E102 WeakPolarHBondContact CE1-O 3.36Å; F100-E102 HydrophobicContact CE2-CB 4.12Å; F100-E102 HydrophobicContact CZ-CB 3.7Å; E102-K104 PolarHBondContact O-N 3.22Å |
| 103 | G | 94.4 | Very high | 91 | Very high | 73 Ų | 73 | 118.1 Ų | 118.1 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 132 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 104 | K | 95.3 | Very high | 92.4 | Very high | 157 Ų | 157 | 119 Ų | 119 | 68% | 0.683 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 147.5 | 176.8 | -61.9 | -178.9 | -169 | -62.8 | 0 | 110.1 | F100 E102 A106 | F100-K104 HydrophobicContact CD1-CG 4.41Å; F100-K104 HydrophobicContact CE1-CG 4.05Å; E102-K104 PolarHBondContact O-N 3.22Å; K104-A106 PolarHBondContact O-N 3.05Å |
| 105 | R | 94.8 | Very high | 93.4 | Very high | 129 Ų | 129 | 123.7 Ų | 123.7 | 49% | 0.487 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -60 | 138.7 | 169.8 | 69.9 | 176.3 | -178.2 | 75 | 7.6 | 110.3 | V107 C123 | R105-V107 VanDerWaalsContact NH1-CG2 3.26Å; R105-C123 PolarHBondContact NH2-O 3.15Å |
| 106 | A | 95.8 | Very high | 93.8 | Very high | 86 Ų | 86 | 123.5 Ų | 123.5 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | -116.4 | 140.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | K104 | K104-A106 PolarHBondContact O-N 3.05Š| ||
| 107 | V | 95.6 | Very high | 94 | Very high | 44 Ų | 44 | 125 Ų | 125 | 27% | 0.267 | 64% | 0.644 | S | S | . | * | trans | -125.5 | 128.3 | 180 | 177.1 | 0 | 0 | 0 | 0 | 107.3 | R105 M120 T121 | R105-V107 VanDerWaalsContact NH1-CG2 3.26Å; V107-M120 HydrophobicContact CB-CB 4.28Å; V107-M120 HydrophobicContact CG1-CB 3.86Å; V107-T121 PolarHBondContact N-OG1 3.14Å; V107-T121 PolarHBondContact O-OG1 2.86Å | ||
| 108 | E | 94.9 | Very high | 94.3 | Very high | 168 Ų | 168 | 117.4 Ų | 117.4 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | trans | -55.6 | 143.9 | 176.2 | -62.9 | -178.4 | 168.8 | 0 | 0 | 111.2 | K110 | E108-K110 WeakPolarHBondContact O-CD 3.09Å; E108-K110 WeakPolarHBondContact O-CE 3.41Å; E108-K110 PolarHBondContact O-NZ 3.46Å | ||
| 109 | D | 95.7 | Very high | 94.6 | Very high | 92 Ų | 92 | 116.3 Ų | 116.3 | 49% | 0.492 | 61% | 0.605 | S | S | . | * | trans | -78.1 | 142.5 | -178.9 | -68.5 | -20.7 | 0 | 0 | 0 | 110.9 | I119 M120 | D109-I119 VanDerWaalsContact OD1-CA 3.23Å; D109-I119 WeakPolarHBondContact OD1-CA 3.41Å; D109-M120 PolarHBondContact OD1-N 3.16Å | ||
| 110 | K | 93.4 | Very high | 94.8 | Very high | 94 Ų | 94 | 108.3 Ų | 108.3 | 41% | 0.409 | 58% | 0.578 | S | S | . | * | trans | -106.4 | 121.8 | -175 | -81.7 | 82.6 | -166.3 | 167.3 | 0 | 109.7 | E108 I112 T118 M120 | E108-K110 WeakPolarHBondContact O-CD 3.09Å; E108-K110 WeakPolarHBondContact O-CE 3.41Å; E108-K110 PolarHBondContact O-NZ 3.46Å; K110-I112 HydrophobicContact CB-CG2 4.35Å; K110-I112 PolarHBondContact O-N 3.06Å; K110-T118 PolarHBondContact N-OG1 2.87Å; K110-T118 VanDerWaalsContact N-OG1 3.14Å; K110-T118 WeakPolarHBondContact O-CG2 3.23Å; K110-T118 PolarHBondContact O-OG1 2.49Å; K110-M120 HydrophobicContact CB-CG 4.49Å; K110-M120 HydrophobicContact CD-CB 4.41Å; K110-M120 HydrophobicContact CD-CG 3.7Å | ||
| 111 | N | 93.3 | Very high | 94.9 | Very high | 153 Ų | 153 | 106.3 Ų | 106.3 | 82% | 0.818 | 57% | 0.574 | S | S | * | * | trans | -76.4 | 100.1 | 174.3 | -166.9 | -15 | 0 | 0 | 0 | 110.4 | G113 | N111-G113 PolarHBondContact OD1-N 2.96Å; N111-G113 VanDerWaalsContact OD1-N 3.1Å | ||
| 112 | I | 93.1 | Very high | 94.9 | Very high | 115 Ų | 115 | 108 Ų | 108 | 59% | 0.59 | 57% | 0.569 | S | S | * | * | trans | -98 | 7.8 | 176.6 | 64.9 | 176.6 | 0 | 0 | 0 | 113 | K110 V116 T118 | K110-I112 HydrophobicContact CB-CG2 4.35Å; K110-I112 PolarHBondContact O-N 3.06Å; I112-V116 HydrophobicContact CD1-CB 3.94Å; I112-V116 HydrophobicContact CD1-CG1 3.86Å; I112-V116 HydrophobicContact CG1-CB 4.24Å; I112-T118 HydrophobicContact CD1-CG2 3.34Å; I112-T118 HydrophobicContact CG1-CG2 3.54Å; I112-T118 HydrophobicContact CG2-CG2 4.32Å | ||
| 113 | G | 93.6 | Very high | 94.9 | Very high | 27 Ų | 27 | 102.8 Ų | 102.8 | 28% | 0.278 | 55% | 0.548 | S | S | . | . | trans | 129.6 | 176.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | N111 L115 | N111-G113 PolarHBondContact OD1-N 2.96Å; N111-G113 VanDerWaalsContact OD1-N 3.1Å; G113-L115 VanDerWaalsContact C-N 3.34Å; G113-L115 PolarHBondContact O-N 3.45Å | ||
| 114 | P | 96.1 | Very high | 94.9 | Very high | 136 Ų | 136 | 103.8 Ų | 103.8 | 88% | 0.883 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -76.8 | -17.5 | -172.5 | 29.9 | -35.2 | 0 | 0 | 0 | 114.1 | ||
| 115 | L | 95.6 | Very high | 94.9 | Very high | 166 Ų | 166 | 100.8 Ų | 100.8 | 87% | 0.869 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -88.4 | -35.3 | -173.2 | -62.4 | 176.7 | 0 | 0 | 0 | 113.3 | G113 | G113-L115 VanDerWaalsContact C-N 3.34Å; G113-L115 PolarHBondContact O-N 3.45Å |
| 116 | V | 94.8 | Very high | 95 | Very high | 89 Ų | 89 | 95.7 Ų | 95.7 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | trans | -115.9 | 101.7 | -172.7 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | I112 T118 | I112-V116 HydrophobicContact CD1-CB 3.94Å; I112-V116 HydrophobicContact CD1-CG1 3.86Å; I112-V116 HydrophobicContact CG1-CB 4.24Å; V116-T118 PolarHBondContact O-N 3.49Å | ||
| 117 | K | 94.4 | Very high | 95 | Very high | 183 Ų | 183 | 93.4 Ų | 93.4 | 80% | 0.796 | 49% | 0.485 | S | S | * | . | trans | -69.1 | 112.5 | 170.8 | -176.5 | 177.2 | -177.5 | 174.8 | 0 | 109.6 | ||||
| 118 | T | 94.4 | Very high | 95 | Very high | 25 Ų | 25 | 95.1 Ų | 95.1 | 15% | 0.153 | 49% | 0.487 | C | S | . | . | trans | -91.4 | 133.3 | 174.5 | 71.1 | 0 | 0 | 0 | 0 | 110.7 | K110 I112 V116 | K110-T118 PolarHBondContact N-OG1 2.87Å; K110-T118 VanDerWaalsContact N-OG1 3.14Å; K110-T118 WeakPolarHBondContact O-CG2 3.23Å; K110-T118 PolarHBondContact O-OG1 2.49Å; I112-T118 HydrophobicContact CD1-CG2 3.34Å; I112-T118 HydrophobicContact CG1-CG2 3.54Å; I112-T118 HydrophobicContact CG2-CG2 4.32Å; V116-T118 PolarHBondContact O-N 3.49Å | ||
| 119 | I | 96.1 | Very high | 95 | Very high | 64 Ų | 64 | 91.3 Ų | 91.3 | 33% | 0.328 | 48% | 0.478 | S | S | . | . | trans | -121.5 | 93.6 | 163.5 | -57.3 | 175.6 | 0 | 0 | 0 | 107.1 | D109 T121 R122 | D109-I119 VanDerWaalsContact OD1-CA 3.23Å; D109-I119 WeakPolarHBondContact OD1-CA 3.41Å; I119-T121 VanDerWaalsContact C-N 3.28Å; I119-T121 PolarHBondContact O-N 3.01Å; I119-R122 HydrophobicContact CG2-CG 3.99Å; I119-R122 PolarHBondContact O-N 3.26Å; I119-R122 VanDerWaalsContact O-N 3.15Å | ||
| 120 | M | 94.8 | Very high | 95 | Very high | 55 Ų | 55 | 92.1 Ų | 92.1 | 27% | 0.271 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -75.5 | -19.9 | -165.4 | -67.2 | -61.1 | -67.9 | 0 | 0 | 113.1 | V107 D109 K110 R122 C123 | V107-M120 HydrophobicContact CB-CB 4.28Å; V107-M120 HydrophobicContact CG1-CB 3.86Å; D109-M120 PolarHBondContact OD1-N 3.16Å; K110-M120 HydrophobicContact CB-CG 4.49Å; K110-M120 HydrophobicContact CD-CB 4.41Å; K110-M120 HydrophobicContact CD-CG 3.7Å; M120-R122 PolarHBondContact O-N 3.3Å; M120-C123 HydrophobicContact CE-CB 4.48Å; M120-C123 WeakPolarHBondContact O-CB 3.32Å; M120-C123 PolarHBondContact O-N 3.41Å |
| 121 | T | 95.8 | Very high | 95.1 | Very high | 62 Ų | 62 | 88.8 Ų | 88.8 | 38% | 0.38 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -61.4 | -27.8 | 170.5 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | V107 I119 | V107-T121 PolarHBondContact N-OG1 3.14Å; V107-T121 PolarHBondContact O-OG1 2.86Å; I119-T121 VanDerWaalsContact C-N 3.28Å; I119-T121 PolarHBondContact O-N 3.01Å |
| 122 | R | 95.1 | Very high | 95.2 | Very high | 201 Ų | 201 | 88.6 Ų | 88.6 | 76% | 0.758 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -88.5 | -11.8 | 178.2 | -61.9 | -177.9 | -176.4 | -170.2 | 0.3 | 114 | I119 M120 I124 | I119-R122 HydrophobicContact CG2-CG 3.99Å; I119-R122 PolarHBondContact O-N 3.26Å; I119-R122 VanDerWaalsContact O-N 3.15Å; M120-R122 PolarHBondContact O-N 3.3Å; R122-I124 PolarHBondContact O-N 2.8Å |
| 123 | C | 95.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 87.2 Ų | 87.2 | 26% | 0.264 | 46% | 0.464 | S | S | . | . | trans | -68.4 | 131.5 | 179.3 | -178 | 0 | 0 | 0 | 0 | 110 | R105 M120 Q125 | R105-C123 PolarHBondContact NH2-O 3.15Å; M120-C123 HydrophobicContact CE-CB 4.48Å; M120-C123 WeakPolarHBondContact O-CB 3.32Å; M120-C123 PolarHBondContact O-N 3.41Å; C123-Q125 VanDerWaalsContact O-CD 3.31Å; C123-Q125 PolarHBondContact O-NE2 3.35Å; C123-Q125 PolarHBondContact O-OE1 3.35Å; C123-Q125 VanDerWaalsContact O-OE1 3.1Å; C123-Q125 PolarHBondContact SG-N 3.2Å; C123-Q125 VanDerWaalsContact SG-N 3.35Å | ||
| 124 | I | 95.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 90.1 Ų | 90.1 | 48% | 0.482 | 48% | 0.48 | S | S | . | . | trans | -95 | 8.3 | 176.1 | 61.3 | 165.1 | 0 | 0 | 0 | 113.1 | F63 R122 C126 | F63-I124 HydrophobicContact CB-CD1 3.67Å; F63-I124 HydrophobicContact CD1-CD1 3.79Å; F63-I124 HydrophobicContact CD2-CD1 4.21Å; F63-I124 HydrophobicContact CE1-CD1 4.48Å; F63-I124 HydrophobicContact CG-CD1 3.64Å; R122-I124 PolarHBondContact O-N 2.8Å; I124-C126 VanDerWaalsContact C-N 3.26Å; I124-C126 HydrophobicContact CD1-CB 4.04Å; I124-C126 HydrophobicContact CG1-CB 4.06Å; I124-C126 PolarHBondContact O-N 2.81Å | ||
| 125 | Q | 95.1 | Very high | 95.3 | Very high | 94 Ų | 94 | 90.2 Ų | 90.2 | 44% | 0.439 | 47% | 0.469 | S | S | . | . | trans | 56.7 | 36.1 | 178.6 | -63 | 68.9 | 42.9 | 0 | 0 | 113.5 | C123 T127 | C123-Q125 VanDerWaalsContact O-CD 3.31Å; C123-Q125 PolarHBondContact O-NE2 3.35Å; C123-Q125 PolarHBondContact O-OE1 3.35Å; C123-Q125 VanDerWaalsContact O-OE1 3.1Å; C123-Q125 PolarHBondContact SG-N 3.2Å; C123-Q125 VanDerWaalsContact SG-N 3.35Å; Q125-T127 PolarHBondContact O-N 3.1Å; Q125-T127 VanDerWaalsContact O-N 3.13Å | ||
| 126 | C | 95.7 | Very high | 95.3 | Very high | 23 Ų | 23 | 86.5 Ų | 86.5 | 16% | 0.155 | 45% | 0.449 | C | S | . | . | trans | -72 | -3.2 | 177.1 | 70.9 | 0 | 0 | 0 | 0 | 114.4 | C64 I124 R128 | C64-C126 HydrophobicContact CB-CB 4.06Å; C64-C126 WeakPolarHBondContact CB-O 3.26Å; I124-C126 VanDerWaalsContact C-N 3.26Å; I124-C126 HydrophobicContact CD1-CB 4.04Å; I124-C126 HydrophobicContact CG1-CB 4.06Å; I124-C126 PolarHBondContact O-N 2.81Å; C126-R128 PolarHBondContact O-N 2.97Å | ||
| 127 | T | 96.1 | Very high | 95.3 | Very high | 38 Ų | 38 | 86.3 Ų | 86.3 | 23% | 0.233 | 44% | 0.444 | C | S | . | . | trans | 54.4 | 13.3 | -177.1 | 71.6 | 0 | 0 | 0 | 0 | 116.1 | N74 Q125 C129 I130 R131 | N74-T127 VanDerWaalsContact ND2-CG2 3.32Å; N74-T127 WeakPolarHBondContact ND2-CG2 3.47Å; N74-T127 PolarHBondContact ND2-OG1 2.83Å; Q125-T127 PolarHBondContact O-N 3.1Å; Q125-T127 VanDerWaalsContact O-N 3.13Å; T127-C129 VanDerWaalsContact C-N 3.34Å; T127-C129 PolarHBondContact O-N 3.19Å; T127-I130 HydrophobicContact CG2-CD1 4.21Å; T127-I130 PolarHBondContact O-N 2.91Å; T127-R131 PolarHBondContact O-N 3.13Å; T127-R131 VanDerWaalsContact O-N 3.14Å | ||
| 128 | R | 95.8 | Very high | 95.3 | Very high | 80 Ų | 80 | 80.9 Ų | 80.9 | 30% | 0.302 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 177.9 | -172.1 | -173.5 | -75 | 174.4 | -7.1 | 112.1 | F63 Y65 L69 C126 I130 R131 F132 | F63-R128 PolarHBondContact O-NE 3.22Å; F63-R128 PolarHBondContact O-NH2 3.06Å; Y65-R128 PolarHBondContact O-NH2 3.49Å; L69-R128 HydrophobicContact CD1-CG 3.8Å; C126-R128 PolarHBondContact O-N 2.97Å; R128-I130 VanDerWaalsContact C-N 3.35Å; R128-I130 PolarHBondContact O-N 3.48Å; R128-R131 PolarHBondContact O-N 3.43Å; R128-F132 WeakPolarHBondContact O-CB 3.48Å; R128-F132 PolarHBondContact O-N 3.27Å |
| 129 | C | 95.4 | Very high | 95.4 | Very high | 87 Ų | 87 | 84.2 Ų | 84.2 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.2 | -37.6 | 177.9 | 53.6 | 0 | 0 | 0 | 0 | 113 | T127 A133 | T127-C129 VanDerWaalsContact C-N 3.34Å; T127-C129 PolarHBondContact O-N 3.19Å; C129-A133 WeakPolarHBondContact O-CB 3.43Å; C129-A133 PolarHBondContact O-N 3.08Å |
| 130 | I | 95.4 | Very high | 95.3 | Very high | 110 Ų | 110 | 85.5 Ų | 85.5 | 56% | 0.564 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67 | -45.6 | 179.6 | -60.5 | 168.8 | 0 | 0 | 0 | 109.6 | T127 R128 A133 S134 | T127-I130 HydrophobicContact CG2-CD1 4.21Å; T127-I130 PolarHBondContact O-N 2.91Å; R128-I130 VanDerWaalsContact C-N 3.35Å; R128-I130 PolarHBondContact O-N 3.48Å; I130-A133 PolarHBondContact O-N 3.14Å; I130-A133 VanDerWaalsContact O-N 3.15Å; I130-S134 PolarHBondContact O-N 2.73Å; I130-S134 VanDerWaalsContact O-N 3.08Å; I130-S134 PolarHBondContact O-OG 3.34Å |
| 131 | R | 95.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 87.5 Ų | 87.5 | 9% | 0.091 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.2 | -40 | 178.8 | -66.4 | -179.2 | -58.6 | 106.3 | -8.8 | 112.2 | C64 S70 T127 R128 A133 S134 E135 | C64-R131 PolarHBondContact O-NH2 3.07Å; S70-R131 PolarHBondContact O-NH1 2.98Å; S70-R131 WeakPolarHBondContact OG-CD 3.12Å; S70-R131 PolarHBondContact OG-NH1 2.84Å; S70-R131 VanDerWaalsContact OG-NH1 3.16Å; T127-R131 PolarHBondContact O-N 3.13Å; T127-R131 VanDerWaalsContact O-N 3.14Å; R128-R131 PolarHBondContact O-N 3.43Å; R131-A133 PolarHBondContact O-N 2.68Å; R131-S134 WeakPolarHBondContact CA-OG 3.42Å; R131-S134 PolarHBondContact O-N 2.92Å; R131-S134 PolarHBondContact O-OG 3.15Å; R131-S134 VanDerWaalsContact O-OG 3.07Å; R131-E135 WeakPolarHBondContact O-CB 3.41Å; R131-E135 PolarHBondContact O-N 2.98Å |
| 132 | F | 96.1 | Very high | 95.4 | Very high | 148 Ų | 148 | 89.4 Ų | 89.4 | 65% | 0.649 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.5 | -31.3 | 172.8 | -178.8 | -93.9 | 0 | 0 | 0 | 113.3 | L69 R128 | L69-F132 HydrophobicContact CD1-CB 4.06Å; L69-F132 HydrophobicContact CD1-CD2 4.48Å; L69-F132 HydrophobicContact CD2-CB 4.24Å; L69-F132 HydrophobicContact CD2-CD2 4.2Å; R128-F132 WeakPolarHBondContact O-CB 3.48Å; R128-F132 PolarHBondContact O-N 3.27Å |
| 133 | A | 94.8 | Very high | 95.4 | Very high | 87 Ų | 87 | 80.8 Ų | 80.8 | 72% | 0.719 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -82.3 | -21.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C129 I130 R131 | C129-A133 WeakPolarHBondContact O-CB 3.43Å; C129-A133 PolarHBondContact O-N 3.08Å; I130-A133 PolarHBondContact O-N 3.14Å; I130-A133 VanDerWaalsContact O-N 3.15Å; R131-A133 PolarHBondContact O-N 2.68Å |
| 134 | S | 95.3 | Very high | 95.4 | Very high | 88 Ų | 88 | 84.3 Ų | 84.3 | 62% | 0.615 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -97.6 | -30.6 | -175.9 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | I130 R131 | I130-S134 PolarHBondContact O-N 2.73Å; I130-S134 VanDerWaalsContact O-N 3.08Å; I130-S134 PolarHBondContact O-OG 3.34Å; R131-S134 WeakPolarHBondContact CA-OG 3.42Å; R131-S134 PolarHBondContact O-N 2.92Å; R131-S134 PolarHBondContact O-OG 3.15Å; R131-S134 VanDerWaalsContact O-OG 3.07Å |
| 135 | E | 93.4 | Very high | 95.3 | Very high | 138 Ų | 138 | 83.4 Ų | 83.4 | 65% | 0.645 | 46% | 0.455 | S | S | * | . | trans | -94.9 | 0 | 179.3 | -67.4 | 165.8 | -152.2 | 0 | 0 | 110.7 | S70 R131 | S70-E135 WeakPolarHBondContact CB-OE1 3.34Å; S70-E135 PolarHBondContact N-OE2 3.03Å; S70-E135 PolarHBondContact OG-OE1 3.1Å; R131-E135 WeakPolarHBondContact O-CB 3.41Å; R131-E135 PolarHBondContact O-N 2.98Å |
Retrieved 135 of 135 residues in 171.1 ms
(Link to these results)