| 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 | 48.3 | Very low | 48.3 | Very low | 240 Ų | 240 | 147.5 Ų | 147.5 | 100% | 1.182 | 87% | 0.867 | S | S | * | * | 0 | 112.5 | 0 | -65.3 | 179.2 | 169.1 | 0 | 0 | 106.8 | |||||
| 2 | P | 57.2 | Low | 47.3 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 84% | 0.838 | 87% | 0.868 | S | S | * | * | -153.6 | 170.2 | 99.9 | 33 | -10.8 | 0 | 0 | 0 | 115.5 | |||||
| 3 | P | 67.5 | Low | 46.7 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 78% | 0.779 | 86% | 0.864 | S | S | * | * | trans | -104.7 | 154.7 | -168.4 | 38 | -29.6 | 0 | 0 | 0 | 114.4 | ||||
| 4 | K | 52.2 | Low | 45.8 | Very low | 207 Ų | 207 | 146.7 Ų | 146.7 | 90% | 0.9 | 86% | 0.86 | S | S | * | * | trans | 179.4 | 140.3 | 142.8 | -122.5 | 166.7 | 175.1 | 159.9 | 0 | 114.6 | ||||
| 5 | A | 52.5 | Low | 45.5 | Very low | 103 Ų | 103 | 149.1 Ų | 149.1 | 85% | 0.851 | 86% | 0.856 | S | S | * | * | trans | 67.7 | 139.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 6 | G | 50.2 | Low | 44.9 | Very low | 72 Ų | 72 | 148.2 Ų | 148.2 | 74% | 0.742 | 85% | 0.854 | S | S | * | * | cis | 175.8 | 135.3 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 7 | K | 42.2 | Very low | 44.9 | Very low | 219 Ų | 219 | 145.4 Ų | 145.4 | 95% | 0.952 | 85% | 0.852 | S | S | * | * | 53.7 | 111.4 | 130 | -132.7 | 173.8 | -170.3 | 179.9 | 0 | 121 | |||||
| 8 | G | 41 | Very low | 44.7 | Very low | 75 Ų | 75 | 142.6 Ų | 142.6 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | 124.1 | 130.2 | 126.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 9 | K | 40.5 | Very low | 44.5 | Very low | 204 Ų | 204 | 145.9 Ų | 145.9 | 89% | 0.887 | 85% | 0.851 | S | S | * | * | trans | 91.5 | 94.9 | 148.8 | -72.1 | 178.4 | 172.8 | 177.2 | 0 | 120.3 | ||||
| 10 | D | 39.3 | Very low | 44.2 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 84% | 0.84 | 85% | 0.847 | S | S | * | * | trans | 5.4 | 148.1 | 130.9 | -56.5 | -87.3 | 0 | 0 | 0 | 121.4 | ||||
| 11 | A | 40.4 | Very low | 43.9 | Very low | 96 Ų | 96 | 149.7 Ų | 149.7 | 79% | 0.793 | 85% | 0.852 | S | S | * | * | trans | 91.8 | 78.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 12 | K | 35.7 | Very low | 43.3 | Very low | 201 Ų | 201 | 147.8 Ų | 147.8 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | 57.3 | 81.7 | 123.2 | -154.1 | 172.6 | -174.8 | 176.6 | 0 | 118.6 | |||||
| 13 | A | 39.5 | Very low | 42.4 | Very low | 100 Ų | 100 | 150.5 Ų | 150.5 | 83% | 0.826 | 84% | 0.838 | S | S | * | * | 37.9 | 96.2 | 124.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 14 | T | 34.8 | Very low | 40.9 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | -80.6 | 159.8 | 149.9 | -11.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 15 | K | 41.3 | Very low | 40.2 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 80% | 0.796 | 84% | 0.84 | S | S | * | * | trans | 97.7 | 99.6 | 162.2 | -58.6 | -174.8 | -178 | -176.4 | 0 | 116.3 | ||||
| 16 | T | 36.5 | Very low | 39.7 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | 101.4 | 111.1 | 81.8 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 17 | A | 43.9 | Very low | 39.4 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 83% | 0.826 | 85% | 0.847 | S | S | * | * | trans | 173.8 | 101.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 18 | A | 41.6 | Very low | 39.7 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 79% | 0.793 | 84% | 0.839 | S | S | * | * | 82.1 | 99 | 99.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 19 | K | 40 | Very low | 40.2 | Very low | 206 Ų | 206 | 142.4 Ų | 142.4 | 90% | 0.896 | 85% | 0.846 | S | S | * | * | trans | 33.4 | 158.5 | 142.5 | -63.8 | -178.9 | 179.7 | 179.9 | 0 | 121.3 | ||||
| 20 | P | 40.3 | Very low | 41 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 84% | 0.844 | S | S | * | * | cis | -129.9 | 166.9 | -4.5 | 32.7 | -12 | 0 | 0 | 0 | 114.6 | K22 | P20-K22 PolarHBondContact O-N 3.18Š| ||
| 21 | R | 36 | Very low | 41.8 | Very low | 254 Ų | 254 | 140.3 Ų | 140.3 | 96% | 0.958 | 85% | 0.849 | S | S | * | * | trans | -57.1 | 129.6 | 164.5 | -66.4 | 175.3 | 169.6 | -170.6 | -4.3 | 109.8 | ||||
| 22 | K | 37.4 | Very low | 42.9 | Very low | 200 Ų | 200 | 145.1 Ų | 145.1 | 87% | 0.87 | 85% | 0.852 | S | S | * | * | trans | -135.2 | 121.4 | 165.7 | -157.9 | 171.5 | -174.9 | 174.1 | 0 | 108.8 | P20 | P20-K22 PolarHBondContact O-N 3.18Š| ||
| 23 | E | 37.6 | Very low | 44.3 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.864 | 85% | 0.851 | S | S | * | * | trans | -49.7 | 151.1 | 168.1 | -72.4 | 158 | 109.1 | 0 | 0 | 112 | ||||
| 24 | G | 36.5 | Very low | 45.6 | Very low | 83 Ų | 83 | 147.7 Ų | 147.7 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | trans | 69 | 99 | 146.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 25 | G | 37.3 | Very low | 46.6 | Very low | 83 Ų | 83 | 153.2 Ų | 153.2 | 86% | 0.856 | 85% | 0.851 | S | S | * | * | trans | 164.7 | 126.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 26 | G | 41.1 | Very low | 48 | Very low | 82 Ų | 82 | 147.8 Ų | 147.8 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | trans | 105.5 | 98.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 27 | G | 44 | Very low | 49.2 | Very low | 87 Ų | 87 | 151.1 Ų | 151.1 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | cis | 89.1 | 98.9 | 46.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 28 | G | 49.7 | Very low | 50.3 | Low | 75 Ų | 75 | 149.8 Ų | 149.8 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | 149.9 | 129.9 | 164 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 29 | K | 50.1 | Low | 51.5 | Low | 216 Ų | 216 | 154.4 Ų | 154.4 | 94% | 0.939 | 84% | 0.837 | S | S | * | * | trans | 89 | 47.3 | 157.8 | -55.2 | -175.8 | 177.5 | 179.5 | 0 | 119.1 | ||||
| 30 | A | 57.6 | Low | 53 | Low | 101 Ų | 101 | 151 Ų | 151 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | trans | -102.9 | 65.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K32 | A30-K32 VanDerWaalsContact C-N 3.27Å; A30-K32 PolarHBondContact O-N 3.47Å; A30-K32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | K | 55.4 | Low | 54.5 | Low | 217 Ų | 217 | 155.8 Ų | 155.8 | 94% | 0.943 | 84% | 0.836 | S | S | * | * | trans | -77 | 76.3 | 161.9 | -97.8 | -176 | 175.4 | 177.7 | 0 | 108.8 | ||||
| 32 | K | 65 | Low | 56.5 | Low | 196 Ų | 196 | 150.5 Ų | 150.5 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | trans | -108.4 | 108.3 | 161.2 | -84.3 | -171.3 | 175.6 | -179 | 0 | 108.1 | A30 K34 | A30-K32 VanDerWaalsContact C-N 3.27Å; A30-K32 PolarHBondContact O-N 3.47Å; A30-K32 VanDerWaalsContact O-N 3.11Å; K32-K34 VanDerWaalsContact C-N 3.28Å; K32-K34 PolarHBondContact O-N 3.35Å | ||
| 33 | K | 64.9 | Low | 58.3 | Low | 198 Ų | 198 | 150 Ų | 150 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -63 | 90 | 168.5 | -78.5 | -168.8 | 174.9 | -175.7 | 0 | 108.3 | ||||
| 34 | K | 65.9 | Low | 60.2 | Low | 157 Ų | 157 | 147.4 Ų | 147.4 | 68% | 0.683 | 82% | 0.816 | S | S | * | * | trans | -98.2 | 85.6 | 176.4 | -166.6 | 171.4 | -178.5 | 177.7 | 0 | 108.9 | K32 S36 | K32-K34 VanDerWaalsContact C-N 3.28Å; K32-K34 PolarHBondContact O-N 3.35Å; K34-S36 PolarHBondContact O-N 3.25Å | ||
| 35 | W | 56.1 | Low | 62.5 | Low | 247 Ų | 247 | 150.6 Ų | 150.6 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -70.7 | 75.1 | 162.6 | -86.4 | -44.3 | 0 | 0 | 0 | 109.2 | ||
| 36 | S | 70.7 | Confident | 65 | Low | 70 Ų | 70 | 148.9 Ų | 148.9 | 49% | 0.49 | 79% | 0.785 | S | S | . | * | trans | 168.3 | 86.6 | 155.3 | -164.1 | 0 | 0 | 0 | 0 | 106.9 | K34 | K34-S36 PolarHBondContact O-N 3.25Š| ||
| 37 | K | 62.4 | Low | 67.3 | Low | 204 Ų | 204 | 147.6 Ų | 147.6 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | trans | -116.8 | 34 | -177.2 | -146.4 | -176.4 | -175.5 | -173.7 | 0 | 112.7 | ||||
| 38 | G | 66.8 | Low | 69.5 | Low | 72 Ų | 72 | 147.5 Ų | 147.5 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | trans | -145.9 | 23.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 39 | K | 67.4 | Low | 71.4 | Confident | 193 Ų | 193 | 150.2 Ų | 150.2 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | -93.9 | 12 | -174.4 | -102.9 | -171.7 | -177.8 | -175.2 | 0 | 116.1 | ||||
| 40 | V | 70.1 | Confident | 73.3 | Confident | 135 Ų | 135 | 142 Ų | 142 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -104.7 | 98.8 | 173 | -174.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 41 | R | 71.9 | Confident | 74.9 | Confident | 216 Ų | 216 | 141.1 Ų | 141.1 | 82% | 0.815 | 68% | 0.681 | S | S | * | * | trans | -57.4 | 137.6 | 164.7 | 176.9 | 165.2 | -84.9 | 174.2 | -6.6 | 107.4 | ||||
| 42 | D | 77.8 | Confident | 76.5 | Confident | 143 Ų | 143 | 135.9 Ų | 135.9 | 77% | 0.765 | 67% | 0.669 | S | S | * | * | trans | -49.9 | 148.7 | 179.9 | -67.1 | -62.8 | 0 | 0 | 0 | 111.7 | L44 | D42-L44 PolarHBondContact O-N 2.81Š| ||
| 43 | K | 74.9 | Confident | 77.8 | Confident | 191 Ų | 191 | 129.5 Ų | 129.5 | 83% | 0.83 | 65% | 0.653 | S | S | * | * | trans | -57.3 | 110.4 | -179.6 | -72.5 | -177.3 | -177.6 | 178.7 | 0 | 109.2 | N45 | K43-N45 PolarHBondContact O-N 2.91Å; K43-N45 VanDerWaalsContact O-N 3.13Å | ||
| 44 | L | 77.7 | Confident | 79 | Confident | 130 Ų | 130 | 120.8 Ų | 120.8 | 68% | 0.681 | 62% | 0.617 | S | S | * | * | trans | -68.7 | 108.7 | 171.3 | -67.4 | 174.5 | 0 | 0 | 0 | 108.4 | D42 N46 | D42-L44 PolarHBondContact O-N 2.81Å; L44-N46 PolarHBondContact O-N 2.76Å | ||
| 45 | N | 86 | Confident | 80.3 | Confident | 150 Ų | 150 | 116.8 Ų | 116.8 | 80% | 0.802 | 60% | 0.598 | S | S | * | * | trans | -79.8 | 69.6 | 178.5 | -70.1 | -22.8 | 0 | 0 | 0 | 110.2 | K43 | K43-N45 PolarHBondContact O-N 2.91Å; K43-N45 VanDerWaalsContact O-N 3.13Å | ||
| 46 | N | 89.1 | Confident | 82 | Confident | 46 Ų | 46 | 109.4 Ų | 109.4 | 25% | 0.246 | 58% | 0.576 | C | S | . | * | trans | -69.8 | 136.8 | 176.4 | -65.9 | 1.1 | 0 | 0 | 0 | 110.5 | L44 K78 R80 | L44-N46 PolarHBondContact O-N 2.76Å; N46-K78 CarbonylContact C-O 3.57Å; N46-K78 VanDerWaalsContact CA-O 3.29Å; N46-K78 WeakPolarHBondContact CA-O 3.27Å; N46-R80 HydrophobicContact CB-CG 4.03Å | ||
| 47 | M | 89.3 | Confident | 83 | Confident | 55 Ų | 55 | 110.8 Ų | 110.8 | 27% | 0.271 | 57% | 0.574 | S | S | . | * | B | Isolated β-bridge | trans | -64.3 | 142.5 | 178.4 | -66.7 | 172.1 | -64.7 | 0 | 0 | 111.2 | T54 L77 K78 V79 R80 | M47-T54 HydrophobicContact CE-CG2 3.6Å; M47-T54 HydrophobicContact SD-CG2 4.15Å; M47-L77 VanDerWaalsContact CE-O 3.24Å; M47-L77 WeakPolarHBondContact CE-O 3.46Å; M47-K78 HydrophobicContact CE-CB 4.48Å; M47-K78 PolarHBondContact N-O 2.74Å; M47-V79 HydrophobicContact CB-CG1 4.36Å; M47-V79 HydrophobicContact CE-CG1 3.96Å; M47-R80 PolarHBondContact O-N 2.8Å |
| 48 | V | 89.9 | Confident | 84.3 | Confident | 85 Ų | 85 | 101.1 Ų | 101.1 | 52% | 0.515 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -104.4 | -15.8 | -177.5 | -165.7 | 0 | 0 | 0 | 0 | 111.9 | L83 | V48-L83 WeakPolarHBondContact O-CD1 3.36Š|
| 49 | L | 90.7 | Very high | 85.4 | Confident | 133 Ų | 133 | 100.3 Ų | 100.3 | 70% | 0.696 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -127.2 | 152.6 | 175.9 | -171 | 62.8 | 0 | 0 | 0 | 108.6 | L83 | L49-L83 VanDerWaalsContact C-CD1 3.49Š|
| 50 | F | 89.1 | Confident | 86.5 | Confident | 44 Ų | 44 | 98.7 Ų | 98.7 | 19% | 0.193 | 50% | 0.5 | C | S | . | . | trans | -78.2 | 125.9 | 169.7 | -74.7 | -70.2 | 0 | 0 | 0 | 109.2 | Y55 L58 L83 | F50-Y55 HydrophobicContact CB-CD2 4.22Å; F50-Y55 HydrophobicContact CD1-CD2 4.43Å; F50-Y55 HydrophobicContact CD2-CD2 4.14Å; F50-Y55 HydrophobicContact CG-CD2 4.05Å; F50-L58 HydrophobicContact CE1-CB 4.46Å; F50-L58 HydrophobicContact CE1-CD1 3.51Å; F50-L58 HydrophobicContact CE2-CD1 4.37Å; F50-L58 HydrophobicContact CZ-CD1 3.27Å; F50-L83 HydrophobicContact CD1-CD2 3.8Å; F50-L83 HydrophobicContact CD2-CD1 3.87Å; F50-L83 HydrophobicContact CD2-CD2 3.81Å; F50-L83 HydrophobicContact CD2-CG 3.83Å; F50-L83 HydrophobicContact CE1-CD2 3.3Å; F50-L83 HydrophobicContact CE1-CG 4.36Å; F50-L83 HydrophobicContact CE2-CD1 4.1Å; F50-L83 HydrophobicContact CE2-CD2 3.31Å; F50-L83 HydrophobicContact CE2-CG 3.52Å; F50-L83 HydrophobicContact CG-CD1 4.14Å; F50-L83 HydrophobicContact CG-CD2 4.05Å; F50-L83 HydrophobicContact CG-CG 4.38Å; F50-L83 HydrophobicContact CZ-CD2 3.03Å; F50-L83 HydrophobicContact CZ-CG 3.83Å | ||
| 51 | D | 90.8 | Very high | 87.4 | Confident | 81 Ų | 81 | 96 Ų | 96 | 43% | 0.433 | 48% | 0.478 | S | S | . | . | trans | -80.1 | 155.5 | 161.4 | -60.2 | -36.5 | 0 | 0 | 0 | 109 | A53 T54 Y55 | D51-A53 PolarHBondContact O-N 3.33Å; D51-A53 VanDerWaalsContact O-N 3.15Å; D51-T54 PolarHBondContact N-OG1 3.06Å; D51-T54 PolarHBondContact O-N 3.29Å; D51-T54 PolarHBondContact O-OG1 2.86Å; D51-Y55 PolarHBondContact O-N 3.38Å | ||
| 52 | P | 90.7 | Very high | 88.2 | Confident | 108 Ų | 108 | 85.7 Ų | 85.7 | 70% | 0.701 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -50.8 | -44.4 | 178.7 | -28.1 | 35 | 0 | 0 | 0 | 113 | T54 Y55 D56 | P52-T54 VanDerWaalsContact C-N 3.33Å; P52-T54 PolarHBondContact O-N 3.21Å; P52-Y55 PolarHBondContact O-N 2.98Å; P52-D56 PolarHBondContact O-N 3.28Å |
| 53 | A | 92.5 | Very high | 88.7 | Confident | 62 Ų | 62 | 80.6 Ų | 80.6 | 51% | 0.512 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.6 | -29.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D51 K57 | D51-A53 PolarHBondContact O-N 3.33Å; D51-A53 VanDerWaalsContact O-N 3.15Å; A53-K57 VanDerWaalsContact O-CG 3.3Å; A53-K57 WeakPolarHBondContact O-CG 3.45Å; A53-K57 PolarHBondContact O-N 2.96Å |
| 54 | T | 90.2 | Very high | 89.4 | Confident | 15 Ų | 15 | 74.4 Ų | 74.4 | 9% | 0.092 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -85.6 | -29.8 | 178.9 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | M47 D51 P52 K57 L58 | M47-T54 HydrophobicContact CE-CG2 3.6Å; M47-T54 HydrophobicContact SD-CG2 4.15Å; D51-T54 PolarHBondContact N-OG1 3.06Å; D51-T54 PolarHBondContact O-N 3.29Å; D51-T54 PolarHBondContact O-OG1 2.86Å; P52-T54 VanDerWaalsContact C-N 3.33Å; P52-T54 PolarHBondContact O-N 3.21Å; T54-K57 PolarHBondContact O-N 3.33Å; T54-L58 PolarHBondContact O-N 3.45Å; T54-L58 VanDerWaalsContact O-N 3.09Å |
| 55 | Y | 92 | Very high | 90 | Very high | 73 Ų | 73 | 69.9 Ų | 69.9 | 29% | 0.286 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 170.3 | -165.6 | -107.8 | 0 | 0 | 0 | 111 | F50 D51 P52 K57 L58 Y59 E90 | F50-Y55 HydrophobicContact CB-CD2 4.22Å; F50-Y55 HydrophobicContact CD1-CD2 4.43Å; F50-Y55 HydrophobicContact CD2-CD2 4.14Å; F50-Y55 HydrophobicContact CG-CD2 4.05Å; D51-Y55 PolarHBondContact O-N 3.38Å; P52-Y55 PolarHBondContact O-N 2.98Å; Y55-K57 VanDerWaalsContact C-N 3.28Å; Y55-K57 PolarHBondContact O-N 3.31Å; Y55-L58 VanDerWaalsContact O-CB 3.3Å; Y55-L58 WeakPolarHBondContact O-CB 3.41Å; Y55-L58 PolarHBondContact O-N 3.12Å; Y55-Y59 HydrophobicContact CD1-CD2 4.23Å; Y55-Y59 AromaticContact CD1-CE2 3.94Å; Y55-Y59 HydrophobicContact CD1-CE2 3.94Å; Y55-Y59 HydrophobicContact CD2-CE2 4.28Å; Y55-Y59 HydrophobicContact CE1-CD2 4.07Å; Y55-Y59 AromaticContact CE1-CE2 3.39Å; Y55-Y59 HydrophobicContact CE1-CE2 3.39Å; Y55-Y59 AromaticContact CE2-CE2 3.78Å; Y55-Y59 HydrophobicContact CE2-CE2 3.78Å; Y55-Y59 HydrophobicContact CG-CE2 4.36Å; Y55-Y59 AromaticContact CZ-CE2 3.31Å; Y55-Y59 AromaticContact CZ-CZ 3.9Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.38Å; Y55-Y59 PolarHBondContact O-N 3.28Å; Y55-Y59 PolarHBondContact OH-OH 3.34Å; Y55-E90 PolarHBondContact OH-OE1 3.35Å; Y55-E90 PolarHBondContact OH-OE2 3.05Å |
| 56 | D | 91.7 | Very high | 90.3 | Very high | 91 Ų | 91 | 72.9 Ų | 72.9 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 176.9 | -69.8 | -24.3 | 0 | 0 | 0 | 112.9 | P52 L58 Y59 K60 | P52-D56 PolarHBondContact O-N 3.28Å; D56-L58 VanDerWaalsContact C-N 3.3Å; D56-L58 PolarHBondContact O-N 3.47Å; D56-Y59 PolarHBondContact O-N 3.32Å; D56-K60 PolarHBondContact O-N 3.18Å |
| 57 | K | 91.1 | Very high | 90.4 | Very high | 100 Ų | 100 | 75.3 Ų | 75.3 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.9 | -36 | 174.7 | -73.5 | 175 | -174.4 | -177.2 | 0 | 112.2 | A53 T54 Y55 Y59 K60 E61 L77 | A53-K57 VanDerWaalsContact O-CG 3.3Å; A53-K57 WeakPolarHBondContact O-CG 3.45Å; A53-K57 PolarHBondContact O-N 2.96Å; T54-K57 PolarHBondContact O-N 3.33Å; Y55-K57 VanDerWaalsContact C-N 3.28Å; Y55-K57 PolarHBondContact O-N 3.31Å; K57-Y59 VanDerWaalsContact C-N 3.32Å; K57-Y59 PolarHBondContact O-N 3.41Å; K57-K60 PolarHBondContact O-N 3.31Å; K57-E61 VanDerWaalsContact O-CB 3.28Å; K57-E61 WeakPolarHBondContact O-CB 3.3Å; K57-E61 PolarHBondContact O-N 3.29Å; K57-L77 HydrophobicContact CB-CD2 3.79Å |
| 58 | L | 90.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | I | π-helix | trans | -60.3 | -43.6 | 176.5 | -177.5 | 151.7 | 0 | 0 | 0 | 110.9 | F50 T54 Y55 D56 V62 L77 L91 | F50-L58 HydrophobicContact CE1-CB 4.46Å; F50-L58 HydrophobicContact CE1-CD1 3.51Å; F50-L58 HydrophobicContact CE2-CD1 4.37Å; F50-L58 HydrophobicContact CZ-CD1 3.27Å; T54-L58 PolarHBondContact O-N 3.45Å; T54-L58 VanDerWaalsContact O-N 3.09Å; Y55-L58 VanDerWaalsContact O-CB 3.3Å; Y55-L58 WeakPolarHBondContact O-CB 3.41Å; Y55-L58 PolarHBondContact O-N 3.12Å; D56-L58 VanDerWaalsContact C-N 3.3Å; D56-L58 PolarHBondContact O-N 3.47Å; L58-V62 HydrophobicContact CB-CG2 4.49Å; L58-V62 HydrophobicContact CG-CG2 4.14Å; L58-V62 WeakPolarHBondContact O-CB 3.46Å; L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 3Å; L58-L77 HydrophobicContact CB-CD1 3.98Å; L58-L77 HydrophobicContact CD1-CD1 4.37Å; L58-L77 HydrophobicContact CG-CD1 4.4Å; L58-L91 HydrophobicContact CD2-CD1 3.47Å; L58-L91 VanDerWaalsContact CD2-CD1 3.47Å; L58-L91 HydrophobicContact CD2-CD2 3.77Å; L58-L91 HydrophobicContact CD2-CG 3.58Å; L58-L91 HydrophobicContact CG-CD1 4.16Å |
| 59 | Y | 90.3 | Very high | 90.8 | Very high | 54 Ų | 54 | 69.3 Ų | 69.3 | 21% | 0.212 | 35% | 0.351 | C | S | . | . | I | π-helix | trans | -70.3 | -35 | 179.7 | -79 | -89.8 | 0 | 0 | 0 | 113.9 | Y55 D56 K57 V63 E90 L91 K94 L96 | Y55-Y59 HydrophobicContact CD1-CD2 4.23Å; Y55-Y59 AromaticContact CD1-CE2 3.94Å; Y55-Y59 HydrophobicContact CD1-CE2 3.94Å; Y55-Y59 HydrophobicContact CD2-CE2 4.28Å; Y55-Y59 HydrophobicContact CE1-CD2 4.07Å; Y55-Y59 AromaticContact CE1-CE2 3.39Å; Y55-Y59 HydrophobicContact CE1-CE2 3.39Å; Y55-Y59 AromaticContact CE2-CE2 3.78Å; Y55-Y59 HydrophobicContact CE2-CE2 3.78Å; Y55-Y59 HydrophobicContact CG-CE2 4.36Å; Y55-Y59 AromaticContact CZ-CE2 3.31Å; Y55-Y59 AromaticContact CZ-CZ 3.9Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.38Å; Y55-Y59 PolarHBondContact O-N 3.28Å; Y55-Y59 PolarHBondContact OH-OH 3.34Å; D56-Y59 PolarHBondContact O-N 3.32Å; K57-Y59 VanDerWaalsContact C-N 3.32Å; K57-Y59 PolarHBondContact O-N 3.41Å; Y59-V63 WeakPolarHBondContact O-CG2 3.45Å; Y59-E90 PolarHBondContact OH-OE1 2.96Å; Y59-L91 HydrophobicContact CD1-CD2 3.95Å; Y59-L91 HydrophobicContact CE1-CD2 3.86Å; Y59-K94 HydrophobicContact CE1-CD 3.98Å; Y59-K94 PolarHBondContact OH-NZ 3.49Å; Y59-L96 HydrophobicContact CD1-CD1 3.87Å; Y59-L96 HydrophobicContact CE1-CD1 3.99Å |
| 60 | K | 88.8 | Confident | 91 | Very high | 160 Ų | 160 | 63.6 Ų | 63.6 | 70% | 0.696 | 32% | 0.322 | S | S | * | . | I | π-helix | trans | -86.6 | -49.4 | -176.9 | -65.9 | 176.5 | -176.1 | 173.4 | 0 | 112.5 | D56 K57 | D56-K60 PolarHBondContact O-N 3.18Å; K57-K60 PolarHBondContact O-N 3.31Å |
| 61 | E | 89.3 | Confident | 91.1 | Very high | 77 Ų | 77 | 64.5 Ų | 64.5 | 36% | 0.36 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -84.5 | -42.3 | -170.7 | -59 | -173.1 | -162.3 | 0 | 0 | 112.6 | K57 V63 A64 Y65 | K57-E61 VanDerWaalsContact O-CB 3.28Å; K57-E61 WeakPolarHBondContact O-CB 3.3Å; K57-E61 PolarHBondContact O-N 3.29Å; E61-V63 VanDerWaalsContact C-N 3.3Å; E61-V63 PolarHBondContact O-N 3.13Å; E61-A64 WeakPolarHBondContact O-CB 3.43Å; E61-A64 PolarHBondContact O-N 3.18Å; E61-A64 VanDerWaalsContact O-N 3.14Å; E61-Y65 HydrophobicContact CB-CE1 4.31Å; E61-Y65 HydrophobicContact CB-CE2 4.5Å; E61-Y65 WeakPolarHBondContact CB-OH 3.19Å; E61-Y65 WeakPolarHBondContact O-CD1 3.47Å; E61-Y65 WeakPolarHBondContact O-CE1 3.19Å; E61-Y65 PolarHBondContact O-N 2.94Å; E61-Y65 PolarHBondContact OE2-OH 2.9Å |
| 62 | V | 89.2 | Confident | 91.2 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -66.7 | -37.3 | -174.4 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | L58 A64 Y65 I68 V73 L77 L88 L91 | L58-V62 HydrophobicContact CB-CG2 4.49Å; L58-V62 HydrophobicContact CG-CG2 4.14Å; L58-V62 WeakPolarHBondContact O-CB 3.46Å; L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 3Å; V62-A64 PolarHBondContact O-N 3.15Å; V62-Y65 HydrophobicContact CB-CD2 4.46Å; V62-Y65 HydrophobicContact CG2-CE2 4.21Å; V62-Y65 PolarHBondContact O-N 3.4Å; V62-I68 HydrophobicContact CG1-CD1 4.34Å; V62-I68 HydrophobicContact CG1-CG1 4.31Å; V62-I68 HydrophobicContact CG1-CG2 3.73Å; V62-I68 WeakPolarHBondContact O-CD1 3.26Å; V62-I68 WeakPolarHBondContact O-CG1 3.48Å; V62-V73 HydrophobicContact CG1-CG2 4.06Å; V62-V73 HydrophobicContact CG2-CG1 4.5Å; V62-V73 HydrophobicContact CG2-CG2 4.31Å; V62-L77 HydrophobicContact CG2-CD1 4.12Å; V62-L88 HydrophobicContact CG1-CD2 3.99Å; V62-L91 HydrophobicContact CB-CD1 4.06Å; V62-L91 HydrophobicContact CG1-CD1 3.81Å |
| 63 | V | 89.3 | Confident | 91.3 | Very high | 37 Ų | 37 | 56.8 Ų | 56.8 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -28.8 | 177.5 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | Y59 E61 L91 L96 I97 R111 | Y59-V63 WeakPolarHBondContact O-CG2 3.45Å; E61-V63 VanDerWaalsContact C-N 3.3Å; E61-V63 PolarHBondContact O-N 3.13Å; V63-L91 HydrophobicContact CG2-CD2 4.18Å; V63-L96 HydrophobicContact CG1-CB 4.46Å; V63-L96 HydrophobicContact CG2-CB 3.94Å; V63-L96 HydrophobicContact CG2-CD1 4.37Å; V63-I97 HydrophobicContact CG2-CG2 4.48Å; V63-R111 WeakPolarHBondContact O-CB 3.05Å |
| 64 | A | 89.7 | Confident | 91.3 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 50% | 0.504 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -76.6 | -21.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E61 V62 | E61-A64 WeakPolarHBondContact O-CB 3.43Å; E61-A64 PolarHBondContact O-N 3.18Å; E61-A64 VanDerWaalsContact O-N 3.14Å; V62-A64 PolarHBondContact O-N 3.15Å |
| 65 | Y | 90.2 | Very high | 91.3 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 14% | 0.137 | 30% | 0.296 | C | S | . | . | trans | -71.5 | 135.4 | -174.6 | -59.5 | -29.9 | 0 | 0 | 0 | 112.7 | E61 V62 R76 R111 | E61-Y65 HydrophobicContact CB-CE1 4.31Å; E61-Y65 HydrophobicContact CB-CE2 4.5Å; E61-Y65 WeakPolarHBondContact CB-OH 3.19Å; E61-Y65 WeakPolarHBondContact O-CD1 3.47Å; E61-Y65 WeakPolarHBondContact O-CE1 3.19Å; E61-Y65 PolarHBondContact O-N 2.94Å; E61-Y65 PolarHBondContact OE2-OH 2.9Å; V62-Y65 HydrophobicContact CB-CD2 4.46Å; V62-Y65 HydrophobicContact CG2-CE2 4.21Å; V62-Y65 PolarHBondContact O-N 3.4Å; Y65-R76 VanDerWaalsContact CE2-CD 3.43Å; Y65-R76 VanDerWaalsContact OH-CD 3.23Å; Y65-R76 WeakPolarHBondContact OH-CD 3.2Å; Y65-R111 WeakPolarHBondContact O-CB 3.44Å; Y65-R111 PolarHBondContact O-N 2.96Å | ||
| 66 | R | 91.3 | Very high | 91.2 | Very high | 213 Ų | 213 | 64.5 Ų | 64.5 | 80% | 0.804 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -65 | -42.4 | 173.5 | 177.5 | -178.5 | 155 | 95.2 | 1.2 | 112.3 | T110 | R66-T110 PolarHBondContact O-OG1 3.11Š|
| 67 | L | 92.3 | Very high | 91.2 | Very high | 97 Ų | 97 | 60.7 Ų | 60.7 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -115.4 | 118.7 | 179.3 | 176.5 | 65.2 | 0 | 0 | 0 | 109 | T69 V108 | L67-T69 HydrophobicContact CD1-CG2 3.98Å; L67-T69 HydrophobicContact CG-CG2 4.23Å; L67-V108 HydrophobicContact CD1-CG1 3.77Å |
| 68 | I | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -120.2 | 110.9 | -178.2 | -59.5 | 165.5 | 0 | 0 | 0 | 107.7 | V62 V73 L88 I97 F109 | V62-I68 HydrophobicContact CG1-CD1 4.34Å; V62-I68 HydrophobicContact CG1-CG1 4.31Å; V62-I68 HydrophobicContact CG1-CG2 3.73Å; V62-I68 WeakPolarHBondContact O-CD1 3.26Å; V62-I68 WeakPolarHBondContact O-CG1 3.48Å; I68-V73 HydrophobicContact CG2-CG2 4.34Å; I68-L88 HydrophobicContact CG2-CD1 4.33Å; I68-L88 HydrophobicContact CG2-CD2 3.25Å; I68-L88 HydrophobicContact CG2-CG 4.43Å; I68-I97 HydrophobicContact CD1-CB 4.19Å; I68-I97 HydrophobicContact CD1-CG2 3.6Å; I68-F109 HydrophobicContact CB-CB 3.81Å; I68-F109 WeakPolarHBondContact CB-O 3.47Å; I68-F109 HydrophobicContact CG2-CB 3.94Å; I68-F109 HydrophobicContact CG2-CD2 4.46Å; I68-F109 PolarHBondContact N-O 2.95Å; I68-F109 PolarHBondContact O-N 3.13Å |
| 69 | T | 94.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 62.8 Ų | 62.8 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | trans | -131.8 | 156.1 | 174.1 | 65.2 | 0 | 0 | 0 | 0 | 109.6 | L67 S71 V72 V73 V108 | L67-T69 HydrophobicContact CD1-CG2 3.98Å; L67-T69 HydrophobicContact CG-CG2 4.23Å; T69-S71 PolarHBondContact O-N 2.96Å; T69-S71 VanDerWaalsContact O-N 3.14Å; T69-S71 PolarHBondContact OG1-OG 3.46Å; T69-V72 PolarHBondContact O-N 2.85Å; T69-V72 VanDerWaalsContact O-N 3.12Å; T69-V72 WeakPolarHBondContact OG1-CB 3.28Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.21Å; T69-V72 PolarHBondContact OG1-N 3.15Å; T69-V73 WeakPolarHBondContact O-CG2 3.47Å; T69-V73 PolarHBondContact O-N 2.93Å; T69-V108 HydrophobicContact CG2-CG2 4.37Å | ||
| 70 | P | 93.2 | Very high | 91.4 | Very high | 12 Ų | 12 | 66.3 Ų | 66.3 | 8% | 0.078 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56 | -31.4 | 177.3 | -26.1 | 33.9 | 0 | 0 | 0 | 113.7 | S74 V81 K85 L88 W107 | P70-S74 WeakPolarHBondContact O-CB 3.37Å; P70-S74 PolarHBondContact O-N 3.45Å; P70-S74 VanDerWaalsContact O-N 3.14Å; P70-V81 HydrophobicContact CB-CG1 3.83Å; P70-K85 HydrophobicContact CB-CG 3.97Å; P70-K85 HydrophobicContact CG-CG 4Å; P70-L88 HydrophobicContact CB-CD1 4.45Å; P70-L88 HydrophobicContact CG-CD1 4Å; P70-W107 WeakPolarHBondContact CD-O 3.3Å; P70-W107 HydrophobicContact CG-CB 4.12Å; P70-W107 HydrophobicContact CG-CE3 4.15Å |
| 71 | S | 92.7 | Very high | 91.6 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 44% | 0.441 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70 | -47.4 | 175.4 | 45.9 | 0 | 0 | 0 | 0 | 112.3 | T69 V73 S74 E75 | T69-S71 PolarHBondContact O-N 2.96Å; T69-S71 VanDerWaalsContact O-N 3.14Å; T69-S71 PolarHBondContact OG1-OG 3.46Å; S71-V73 VanDerWaalsContact C-N 3.31Å; S71-V73 PolarHBondContact O-N 3.09Å; S71-S74 WeakPolarHBondContact O-CB 3.5Å; S71-S74 PolarHBondContact O-N 3.26Å; S71-S74 VanDerWaalsContact O-N 3.14Å; S71-E75 WeakPolarHBondContact O-CG 3.36Å; S71-E75 PolarHBondContact O-N 3.14Å |
| 72 | V | 93.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 62 Ų | 62 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 178.6 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | T69 E75 R76 | T69-V72 PolarHBondContact O-N 2.85Å; T69-V72 VanDerWaalsContact O-N 3.12Å; T69-V72 WeakPolarHBondContact OG1-CB 3.28Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.21Å; T69-V72 PolarHBondContact OG1-N 3.15Å; V72-E75 PolarHBondContact O-N 2.92Å; V72-R76 WeakPolarHBondContact O-CG 3.34Å; V72-R76 PolarHBondContact O-N 2.94Å; V72-R76 VanDerWaalsContact O-N 3.15Å |
| 73 | V | 92.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 176.7 | 177 | 0 | 0 | 0 | 0 | 111.1 | V62 I68 T69 S71 E75 R76 L77 V79 A84 L88 | V62-V73 HydrophobicContact CG1-CG2 4.06Å; V62-V73 HydrophobicContact CG2-CG1 4.5Å; V62-V73 HydrophobicContact CG2-CG2 4.31Å; I68-V73 HydrophobicContact CG2-CG2 4.34Å; T69-V73 WeakPolarHBondContact O-CG2 3.47Å; T69-V73 PolarHBondContact O-N 2.93Å; S71-V73 VanDerWaalsContact C-N 3.31Å; S71-V73 PolarHBondContact O-N 3.09Å; V73-E75 PolarHBondContact O-N 3.43Å; V73-R76 PolarHBondContact O-N 2.82Å; V73-L77 HydrophobicContact CG1-CD1 3.86Å; V73-L77 HydrophobicContact CG1-CG 4.45Å; V73-L77 WeakPolarHBondContact O-CB 3.14Å; V73-L77 PolarHBondContact O-N 3.36Å; V73-V79 HydrophobicContact CG1-CG2 4.47Å; V73-A84 HydrophobicContact CB-CB 3.96Å; V73-A84 HydrophobicContact CG1-CB 3.69Å; V73-L88 HydrophobicContact CG2-CD1 4.23Å; V73-L88 HydrophobicContact CG2-CD2 4.15Å; V73-L88 HydrophobicContact CG2-CG 4.38Å |
| 74 | S | 91.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 61 Ų | 61 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 178 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | P70 S71 K78 V79 | P70-S74 WeakPolarHBondContact O-CB 3.37Å; P70-S74 PolarHBondContact O-N 3.45Å; P70-S74 VanDerWaalsContact O-N 3.14Å; S71-S74 WeakPolarHBondContact O-CB 3.5Å; S71-S74 PolarHBondContact O-N 3.26Å; S71-S74 VanDerWaalsContact O-N 3.14Å; S74-K78 WeakPolarHBondContact O-CA 3.45Å; S74-K78 PolarHBondContact O-N 3.4Å; S74-K78 VanDerWaalsContact O-N 3.14Å; S74-V79 WeakPolarHBondContact CA-O 3.44Å; S74-V79 WeakPolarHBondContact CB-O 3.5Å; S74-V79 PolarHBondContact O-N 3.43Å; S74-V79 PolarHBondContact OG-O 2.92Å |
| 75 | E | 90.8 | Very high | 92.3 | Very high | 150 Ų | 150 | 61.1 Ų | 61.1 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.1 | -41.2 | 178.7 | -72.5 | 172.1 | -161.7 | 0 | 0 | 112.6 | S71 V72 V73 | S71-E75 WeakPolarHBondContact O-CG 3.36Å; S71-E75 PolarHBondContact O-N 3.14Å; V72-E75 PolarHBondContact O-N 2.92Å; V73-E75 PolarHBondContact O-N 3.43Å |
| 76 | R | 90.6 | Very high | 92.4 | Very high | 148 Ų | 148 | 62 Ų | 62 | 56% | 0.558 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -80.7 | -47 | -174.4 | -66.5 | -175.4 | -178.2 | -104.1 | -0.1 | 113.3 | Y65 V72 V73 K78 | Y65-R76 VanDerWaalsContact CE2-CD 3.43Å; Y65-R76 VanDerWaalsContact OH-CD 3.23Å; Y65-R76 WeakPolarHBondContact OH-CD 3.2Å; V72-R76 WeakPolarHBondContact O-CG 3.34Å; V72-R76 PolarHBondContact O-N 2.94Å; V72-R76 VanDerWaalsContact O-N 3.15Å; V73-R76 PolarHBondContact O-N 2.82Å; R76-K78 VanDerWaalsContact C-N 3.33Å |
| 77 | L | 90.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -86.6 | -4.9 | -177.9 | -62.7 | -179.1 | 0 | 0 | 0 | 113.1 | M47 K57 L58 V62 V73 V79 | M47-L77 VanDerWaalsContact CE-O 3.24Å; M47-L77 WeakPolarHBondContact CE-O 3.46Å; K57-L77 HydrophobicContact CB-CD2 3.79Å; L58-L77 HydrophobicContact CB-CD1 3.98Å; L58-L77 HydrophobicContact CD1-CD1 4.37Å; L58-L77 HydrophobicContact CG-CD1 4.4Å; V62-L77 HydrophobicContact CG2-CD1 4.12Å; V73-L77 HydrophobicContact CG1-CD1 3.86Å; V73-L77 HydrophobicContact CG1-CG 4.45Å; V73-L77 WeakPolarHBondContact O-CB 3.14Å; V73-L77 PolarHBondContact O-N 3.36Å; L77-V79 HydrophobicContact CB-CG1 4.03Å; L77-V79 HydrophobicContact CB-CG2 4.03Å; L77-V79 PolarHBondContact O-N 3.39Å |
| 78 | K | 90.8 | Very high | 92.6 | Very high | 146 Ų | 146 | 47.4 Ų | 47.4 | 64% | 0.635 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.4 | -175 | -58.5 | 179.3 | 178.1 | 175.8 | 0 | 112.5 | N46 M47 S74 R76 | N46-K78 CarbonylContact C-O 3.57Å; N46-K78 VanDerWaalsContact CA-O 3.29Å; N46-K78 WeakPolarHBondContact CA-O 3.27Å; M47-K78 HydrophobicContact CE-CB 4.48Å; M47-K78 PolarHBondContact N-O 2.74Å; S74-K78 WeakPolarHBondContact O-CA 3.45Å; S74-K78 PolarHBondContact O-N 3.4Å; S74-K78 VanDerWaalsContact O-N 3.14Å; R76-K78 VanDerWaalsContact C-N 3.33Å |
| 79 | V | 92.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -109.9 | 158.1 | 178.2 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | M47 V73 S74 L77 L83 A84 | M47-V79 HydrophobicContact CB-CG1 4.36Å; M47-V79 HydrophobicContact CE-CG1 3.96Å; V73-V79 HydrophobicContact CG1-CG2 4.47Å; S74-V79 WeakPolarHBondContact CA-O 3.44Å; S74-V79 WeakPolarHBondContact CB-O 3.5Å; S74-V79 PolarHBondContact O-N 3.43Å; S74-V79 PolarHBondContact OG-O 2.92Å; L77-V79 HydrophobicContact CB-CG1 4.03Å; L77-V79 HydrophobicContact CB-CG2 4.03Å; L77-V79 PolarHBondContact O-N 3.39Å; V79-L83 HydrophobicContact CB-CD2 3.68Å; V79-L83 HydrophobicContact CG1-CD2 3.94Å; V79-L83 HydrophobicContact CG2-CD2 3.8Å; V79-A84 HydrophobicContact CG2-CB 4.23Å |
| 80 | R | 93.4 | Very high | 92.5 | Very high | 127 Ų | 127 | 56.9 Ų | 56.9 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | trans | -65.5 | 148.7 | 174 | -73.5 | -171.2 | 179.2 | 170.3 | 3 | 111.8 | N46 M47 S82 L83 A84 | N46-R80 HydrophobicContact CB-CG 4.03Å; M47-R80 PolarHBondContact O-N 2.8Å; R80-S82 PolarHBondContact O-N 3.11Å; R80-L83 PolarHBondContact O-N 3.4Å; R80-L83 VanDerWaalsContact O-N 3.1Å; R80-A84 PolarHBondContact O-N 3.47Å | ||
| 81 | V | 92.8 | Very high | 92.4 | Very high | 65 Ų | 65 | 56.3 Ų | 56.3 | 39% | 0.394 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.9 | -33.8 | 178.5 | -178.3 | 0 | 0 | 0 | 0 | 112 | P70 L83 A84 K85 | P70-V81 HydrophobicContact CB-CG1 3.83Å; V81-L83 VanDerWaalsContact C-N 3.33Å; V81-L83 PolarHBondContact O-N 3.1Å; V81-A84 PolarHBondContact O-N 3.16Å; V81-K85 HydrophobicContact CG1-CG 4.43Å; V81-K85 WeakPolarHBondContact O-CB 3.49Å; V81-K85 WeakPolarHBondContact O-CG 3.23Å; V81-K85 PolarHBondContact O-N 2.85Å |
| 82 | S | 92.5 | Very high | 92.3 | Very high | 81 Ų | 81 | 56.8 Ų | 56.8 | 57% | 0.566 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.6 | -43.9 | 175.7 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | R80 K85 A86 | R80-S82 PolarHBondContact O-N 3.11Å; S82-K85 PolarHBondContact O-N 3.47Å; S82-A86 PolarHBondContact O-N 3.38Å; S82-A86 VanDerWaalsContact O-N 3.16Å |
| 83 | L | 92.7 | Very high | 92.2 | Very high | 17 Ų | 17 | 60.5 Ų | 60.5 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.4 | -37.6 | 178.7 | 175 | 156.6 | 0 | 0 | 0 | 111.2 | V48 L49 F50 V79 R80 V81 K85 A86 G87 | V48-L83 WeakPolarHBondContact O-CD1 3.36Å; L49-L83 VanDerWaalsContact C-CD1 3.49Å; F50-L83 HydrophobicContact CD1-CD2 3.8Å; F50-L83 HydrophobicContact CD2-CD1 3.87Å; F50-L83 HydrophobicContact CD2-CD2 3.81Å; F50-L83 HydrophobicContact CD2-CG 3.83Å; F50-L83 HydrophobicContact CE1-CD2 3.3Å; F50-L83 HydrophobicContact CE1-CG 4.36Å; F50-L83 HydrophobicContact CE2-CD1 4.1Å; F50-L83 HydrophobicContact CE2-CD2 3.31Å; F50-L83 HydrophobicContact CE2-CG 3.52Å; F50-L83 HydrophobicContact CG-CD1 4.14Å; F50-L83 HydrophobicContact CG-CD2 4.05Å; F50-L83 HydrophobicContact CG-CG 4.38Å; F50-L83 HydrophobicContact CZ-CD2 3.03Å; F50-L83 HydrophobicContact CZ-CG 3.83Å; V79-L83 HydrophobicContact CB-CD2 3.68Å; V79-L83 HydrophobicContact CG1-CD2 3.94Å; V79-L83 HydrophobicContact CG2-CD2 3.8Å; R80-L83 PolarHBondContact O-N 3.4Å; R80-L83 VanDerWaalsContact O-N 3.1Å; V81-L83 VanDerWaalsContact C-N 3.33Å; V81-L83 PolarHBondContact O-N 3.1Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.46Å; L83-A86 WeakPolarHBondContact O-CB 3.37Å; L83-A86 PolarHBondContact O-N 2.94Å; L83-A86 VanDerWaalsContact O-N 3.11Å; L83-G87 PolarHBondContact O-N 3.41Å |
| 84 | A | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | V73 V79 R80 V81 A86 G87 L88 | V73-A84 HydrophobicContact CB-CB 3.96Å; V73-A84 HydrophobicContact CG1-CB 3.69Å; V79-A84 HydrophobicContact CG2-CB 4.23Å; R80-A84 PolarHBondContact O-N 3.47Å; V81-A84 PolarHBondContact O-N 3.16Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A84-A86 PolarHBondContact O-N 2.92Å; A84-G87 PolarHBondContact O-N 2.8Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 VanDerWaalsContact O-CG 3.27Å; A84-L88 WeakPolarHBondContact O-CG 3.24Å; A84-L88 PolarHBondContact O-N 2.84Å |
| 85 | K | 93.4 | Very high | 92 | Very high | 64 Ų | 64 | 67 Ų | 67 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 173.7 | -78.1 | -173 | 177.2 | -169.4 | 0 | 111.7 | P70 V81 S82 L83 R89 W107 | P70-K85 HydrophobicContact CB-CG 3.97Å; P70-K85 HydrophobicContact CG-CG 4Å; V81-K85 HydrophobicContact CG1-CG 4.43Å; V81-K85 WeakPolarHBondContact O-CB 3.49Å; V81-K85 WeakPolarHBondContact O-CG 3.23Å; V81-K85 PolarHBondContact O-N 2.85Å; S82-K85 PolarHBondContact O-N 3.47Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.46Å; K85-R89 WeakPolarHBondContact O-CG 3.44Å; K85-R89 PolarHBondContact O-N 3.37Å; K85-R89 VanDerWaalsContact O-N 3.15Å; K85-W107 HydrophobicContact CB-CE3 4.42Å; K85-W107 HydrophobicContact CB-CH2 4.12Å; K85-W107 HydrophobicContact CB-CZ3 3.62Å; K85-W107 HydrophobicContact CD-CE3 4.48Å; K85-W107 HydrophobicContact CD-CH2 4Å; K85-W107 HydrophobicContact CD-CZ3 4Å; K85-W107 HydrophobicContact CG-CE3 4.01Å; K85-W107 HydrophobicContact CG-CH2 4.12Å; K85-W107 HydrophobicContact CG-CZ3 3.6Å |
| 86 | A | 93.2 | Very high | 91.9 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -48.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S82 L83 A84 L88 R89 E90 | S82-A86 PolarHBondContact O-N 3.38Å; S82-A86 VanDerWaalsContact O-N 3.16Å; L83-A86 WeakPolarHBondContact O-CB 3.37Å; L83-A86 PolarHBondContact O-N 2.94Å; L83-A86 VanDerWaalsContact O-N 3.11Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A84-A86 PolarHBondContact O-N 2.92Å; A86-L88 VanDerWaalsContact C-N 3.34Å; A86-L88 PolarHBondContact O-N 2.93Å; A86-R89 WeakPolarHBondContact O-CB 3.4Å; A86-R89 PolarHBondContact O-N 3.14Å; A86-E90 PolarHBondContact O-N 3.1Å; A86-E90 VanDerWaalsContact O-N 3.13Å |
| 87 | G | 93.3 | Very high | 92 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L83 A84 E90 L91 | L83-G87 PolarHBondContact O-N 3.41Å; A84-G87 PolarHBondContact O-N 2.8Å; G87-E90 PolarHBondContact O-N 3.31Å; G87-L91 WeakPolarHBondContact O-CG 3.5Å; G87-L91 PolarHBondContact O-N 3.26Å |
| 88 | L | 93.1 | Very high | 92 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 174.4 | -71.8 | 175.8 | 0 | 0 | 0 | 112.9 | V62 I68 P70 V73 A84 A86 E90 L91 H92 I97 F109 | V62-L88 HydrophobicContact CG1-CD2 3.99Å; I68-L88 HydrophobicContact CG2-CD1 4.33Å; I68-L88 HydrophobicContact CG2-CD2 3.25Å; I68-L88 HydrophobicContact CG2-CG 4.43Å; P70-L88 HydrophobicContact CB-CD1 4.45Å; P70-L88 HydrophobicContact CG-CD1 4Å; V73-L88 HydrophobicContact CG2-CD1 4.23Å; V73-L88 HydrophobicContact CG2-CD2 4.15Å; V73-L88 HydrophobicContact CG2-CG 4.38Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 VanDerWaalsContact O-CG 3.27Å; A84-L88 WeakPolarHBondContact O-CG 3.24Å; A84-L88 PolarHBondContact O-N 2.84Å; A86-L88 VanDerWaalsContact C-N 3.34Å; A86-L88 PolarHBondContact O-N 2.93Å; L88-E90 VanDerWaalsContact C-N 3.32Å; L88-L91 HydrophobicContact CD2-CD1 4.38Å; L88-H92 VanDerWaalsContact O-CB 3.26Å; L88-H92 WeakPolarHBondContact O-CB 3.37Å; L88-H92 PolarHBondContact O-N 2.63Å; L88-I97 HydrophobicContact CB-CD1 4.45Å; L88-I97 HydrophobicContact CD2-CD1 3.7Å; L88-F109 HydrophobicContact CB-CD2 4.47Å; L88-F109 HydrophobicContact CB-CE2 3.97Å; L88-F109 HydrophobicContact CB-CZ 4.37Å; L88-F109 HydrophobicContact CD1-CD2 4.08Å; L88-F109 HydrophobicContact CD1-CE2 4Å; L88-F109 HydrophobicContact CD2-CD2 4.41Å; L88-F109 HydrophobicContact CG-CE2 4.45Å |
| 89 | R | 92.8 | Very high | 92 | Very high | 150 Ų | 150 | 57.7 Ų | 57.7 | 57% | 0.566 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 171.9 | -70.2 | 178.9 | -156 | -115.5 | 13.7 | 110.6 | K85 A86 H92 S93 W107 | K85-R89 WeakPolarHBondContact O-CG 3.44Å; K85-R89 PolarHBondContact O-N 3.37Å; K85-R89 VanDerWaalsContact O-N 3.15Å; A86-R89 WeakPolarHBondContact O-CB 3.4Å; A86-R89 PolarHBondContact O-N 3.14Å; R89-H92 PolarHBondContact O-N 3.25Å; R89-S93 WeakPolarHBondContact O-CB 3.39Å; R89-S93 PolarHBondContact O-N 3.48Å; R89-S93 PolarHBondContact O-OG 3.22Å; R89-S93 VanDerWaalsContact O-OG 3.12Å; R89-W107 HydrophobicContact CG-CH2 4.39Å; R89-W107 HydrophobicContact CG-CZ3 4.24Å |
| 90 | E | 92.4 | Very high | 92 | Very high | 62 Ų | 62 | 62.6 Ų | 62.6 | 29% | 0.29 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 178.2 | -167.9 | -176.2 | 172.1 | 0 | 0 | 112.2 | Y55 Y59 A86 G87 L88 H92 S93 K94 | Y55-E90 PolarHBondContact OH-OE1 3.35Å; Y55-E90 PolarHBondContact OH-OE2 3.05Å; Y59-E90 PolarHBondContact OH-OE1 2.96Å; A86-E90 PolarHBondContact O-N 3.1Å; A86-E90 VanDerWaalsContact O-N 3.13Å; G87-E90 PolarHBondContact O-N 3.31Å; L88-E90 VanDerWaalsContact C-N 3.32Å; E90-H92 VanDerWaalsContact C-N 3.28Å; E90-H92 PolarHBondContact O-N 2.99Å; E90-S93 PolarHBondContact O-N 2.97Å; E90-K94 HydrophobicContact CG-CD 4.35Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.14Å; E90-K94 WeakPolarHBondContact OE1-CE 3.35Å; E90-K94 IonicContact OE1-NZ 2.76Å; E90-K94 PolarHBondContact OE1-NZ 3.38Å |
| 91 | L | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -36.6 | 175.9 | -73.6 | 177.6 | 0 | 0 | 0 | 112.6 | L58 Y59 V62 V63 G87 L88 G95 L96 I97 | L58-L91 HydrophobicContact CD2-CD1 3.47Å; L58-L91 VanDerWaalsContact CD2-CD1 3.47Å; L58-L91 HydrophobicContact CD2-CD2 3.77Å; L58-L91 HydrophobicContact CD2-CG 3.58Å; L58-L91 HydrophobicContact CG-CD1 4.16Å; Y59-L91 HydrophobicContact CD1-CD2 3.95Å; Y59-L91 HydrophobicContact CE1-CD2 3.86Å; V62-L91 HydrophobicContact CB-CD1 4.06Å; V62-L91 HydrophobicContact CG1-CD1 3.81Å; V63-L91 HydrophobicContact CG2-CD2 4.18Å; G87-L91 WeakPolarHBondContact O-CG 3.5Å; G87-L91 PolarHBondContact O-N 3.26Å; L88-L91 HydrophobicContact CD2-CD1 4.38Å; L91-G95 PolarHBondContact O-N 3.04Å; L91-L96 HydrophobicContact CD2-CB 4.28Å; L91-L96 HydrophobicContact CD2-CD1 3.59Å; L91-L96 PolarHBondContact O-N 3.26Å; L91-I97 HydrophobicContact CB-CD1 3.69Å; L91-I97 HydrophobicContact CB-CG1 3.87Å; L91-I97 HydrophobicContact CB-CG2 4.31Å; L91-I97 HydrophobicContact CD1-CD1 4.44Å; L91-I97 HydrophobicContact CD1-CG2 4.4Å |
| 92 | H | 91.1 | Very high | 91.6 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 34% | 0.338 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.2 | -44.9 | 176.3 | -176.4 | -108.8 | 0 | 0 | 0 | 111.3 | L88 R89 E90 K94 G95 I97 Q99 F109 | L88-H92 VanDerWaalsContact O-CB 3.26Å; L88-H92 WeakPolarHBondContact O-CB 3.37Å; L88-H92 PolarHBondContact O-N 2.63Å; R89-H92 PolarHBondContact O-N 3.25Å; E90-H92 VanDerWaalsContact C-N 3.28Å; E90-H92 PolarHBondContact O-N 2.99Å; H92-K94 PolarHBondContact O-N 3.14Å; H92-G95 PolarHBondContact O-N 3.15Å; H92-I97 HydrophobicContact CB-CD1 4.39Å; H92-I97 HydrophobicContact CB-CG1 4.13Å; H92-Q99 WeakPolarHBondContact NE2-CB 3.21Å; H92-F109 HydrophobicContact CB-CE1 3.97Å; H92-F109 AromaticContact CD2-CE1 3.87Å; H92-F109 AromaticContact CG-CE1 3.93Å |
| 93 | S | 91.2 | Very high | 91.6 | Very high | 105 Ų | 105 | 62.2 Ų | 62.2 | 73% | 0.734 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.6 | -32.9 | 174.6 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | R89 E90 G95 | R89-S93 WeakPolarHBondContact O-CB 3.39Å; R89-S93 PolarHBondContact O-N 3.48Å; R89-S93 PolarHBondContact O-OG 3.22Å; R89-S93 VanDerWaalsContact O-OG 3.12Å; E90-S93 PolarHBondContact O-N 2.97Å; S93-G95 VanDerWaalsContact C-N 3.29Å |
| 94 | K | 90.4 | Very high | 91.4 | Very high | 110 Ų | 110 | 67.5 Ų | 67.5 | 48% | 0.478 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.6 | 174.2 | -70 | 177.6 | 177.7 | 175.6 | 0 | 113.9 | Y59 E90 H92 L96 | Y59-K94 HydrophobicContact CE1-CD 3.98Å; Y59-K94 PolarHBondContact OH-NZ 3.49Å; E90-K94 HydrophobicContact CG-CD 4.35Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.14Å; E90-K94 WeakPolarHBondContact OE1-CE 3.35Å; E90-K94 IonicContact OE1-NZ 2.76Å; E90-K94 PolarHBondContact OE1-NZ 3.38Å; H92-K94 PolarHBondContact O-N 3.14Å; K94-L96 VanDerWaalsContact C-N 3.28Å; K94-L96 HydrophobicContact CB-CD1 4.24Å; K94-L96 HydrophobicContact CB-CG 4.21Å; K94-L96 PolarHBondContact O-N 3.44Å |
| 95 | G | 89 | Confident | 91.1 | Very high | 40 Ų | 40 | 74 Ų | 74 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 13.1 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | L91 H92 S93 N112 | L91-G95 PolarHBondContact O-N 3.04Å; H92-G95 PolarHBondContact O-N 3.15Å; S93-G95 VanDerWaalsContact C-N 3.29Å; G95-N112 PolarHBondContact O-ND2 3.44Å |
| 96 | L | 89.3 | Confident | 90.9 | Very high | 62 Ų | 62 | 76.6 Ų | 76.6 | 33% | 0.325 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -77.5 | -25.3 | -179.5 | -65.7 | 171.6 | 0 | 0 | 0 | 112.5 | Y59 V63 L91 K94 | Y59-L96 HydrophobicContact CD1-CD1 3.87Å; Y59-L96 HydrophobicContact CE1-CD1 3.99Å; V63-L96 HydrophobicContact CG1-CB 4.46Å; V63-L96 HydrophobicContact CG2-CB 3.94Å; V63-L96 HydrophobicContact CG2-CD1 4.37Å; L91-L96 HydrophobicContact CD2-CB 4.28Å; L91-L96 HydrophobicContact CD2-CD1 3.59Å; L91-L96 PolarHBondContact O-N 3.26Å; K94-L96 VanDerWaalsContact C-N 3.28Å; K94-L96 HydrophobicContact CB-CD1 4.24Å; K94-L96 HydrophobicContact CB-CG 4.21Å; K94-L96 PolarHBondContact O-N 3.44Å |
| 97 | I | 91.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 75.7 Ų | 75.7 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.5 | 178.4 | 66.1 | 176.6 | 0 | 0 | 0 | 109.8 | V63 I68 L88 L91 H92 F109 | V63-I97 HydrophobicContact CG2-CG2 4.48Å; I68-I97 HydrophobicContact CD1-CB 4.19Å; I68-I97 HydrophobicContact CD1-CG2 3.6Å; L88-I97 HydrophobicContact CB-CD1 4.45Å; L88-I97 HydrophobicContact CD2-CD1 3.7Å; L91-I97 HydrophobicContact CB-CD1 3.69Å; L91-I97 HydrophobicContact CB-CG1 3.87Å; L91-I97 HydrophobicContact CB-CG2 4.31Å; L91-I97 HydrophobicContact CD1-CD1 4.44Å; L91-I97 HydrophobicContact CD1-CG2 4.4Å; H92-I97 HydrophobicContact CB-CD1 4.39Å; H92-I97 HydrophobicContact CB-CG1 4.13Å; I97-F109 HydrophobicContact CB-CB 4.45Å; I97-F109 HydrophobicContact CD1-CB 3.96Å; I97-F109 HydrophobicContact CD1-CD1 3.65Å; I97-F109 HydrophobicContact CD1-CD2 4.33Å; I97-F109 HydrophobicContact CD1-CE1 4.19Å; I97-F109 HydrophobicContact CD1-CG 3.74Å; I97-F109 HydrophobicContact CG1-CB 4.43Å; I97-F109 HydrophobicContact CG1-CD1 4Å; I97-F109 HydrophobicContact CG1-CG 4.41Å |
| 98 | K | 91.1 | Very high | 90.9 | Very high | 130 Ų | 130 | 76.6 Ų | 76.6 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130 | 177.5 | 178.4 | 177.1 | 179.3 | 176.5 | 0 | 110.3 | F109 T110 | K98-F109 CarbonylContact O-C 3.5Å; K98-F109 WeakPolarHBondContact O-CA 3.29Å; K98-T110 HydrophobicContact CB-CG2 3.89Å; K98-T110 HydrophobicContact CG-CG2 4.38Å; K98-T110 PolarHBondContact N-O 2.9Å; K98-T110 PolarHBondContact O-N 3.14Å |
| 99 | Q | 91.4 | Very high | 90.9 | Very high | 64 Ų | 64 | 76.8 Ų | 76.8 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 132 | 172.2 | -170 | 166 | 3.4 | 0 | 0 | 110.8 | H92 F109 | H92-Q99 WeakPolarHBondContact NE2-CB 3.21Å; Q99-F109 HydrophobicContact CB-CD1 3.78Å; Q99-F109 HydrophobicContact CB-CE1 3.76Å; Q99-F109 HydrophobicContact CG-CD1 4.14Å; Q99-F109 HydrophobicContact CG-CE1 3.88Å |
| 100 | I | 91.2 | Very high | 90.9 | Very high | 103 Ų | 103 | 71.1 Ų | 71.1 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -48.5 | 175.6 | -57.4 | 167.3 | 0 | 0 | 0 | 110 | V108 T110 | I100-V108 HydrophobicContact CB-CG1 4.44Å; I100-V108 HydrophobicContact CD1-CG1 4.17Å; I100-V108 PolarHBondContact N-O 3.14Å; I100-T110 HydrophobicContact CD1-CG2 3.69Å; I100-T110 HydrophobicContact CG1-CG2 3.79Å |
| 101 | V | 91 | Very high | 90.8 | Very high | 62 Ų | 62 | 74 Ų | 74 | 38% | 0.376 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130 | -175.2 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | V108 | V101-V108 HydrophobicContact CB-CB 4.1Å; V101-V108 HydrophobicContact CB-CG2 4.2Å; V101-V108 HydrophobicContact CG2-CB 4.28Å; V101-V108 HydrophobicContact CG2-CG2 4.41Å; V101-V108 PolarHBondContact N-O 3.01Å; V101-V108 PolarHBondContact O-N 2.95Å |
| 102 | S | 87.7 | Confident | 90.5 | Very high | 99 Ų | 99 | 77.4 Ų | 77.4 | 69% | 0.692 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 82.2 | 176.4 | 61 | 0 | 0 | 0 | 0 | 111 | ||
| 103 | H | 93.1 | Very high | 89.8 | Confident | 105 Ų | 105 | 79.3 Ų | 79.3 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | trans | -112.8 | 150.6 | 170 | -175.9 | -102.2 | 0 | 0 | 0 | 110.3 | N105 Q106 W107 | H103-N105 PolarHBondContact ND1-N 3.21Å; H103-N105 PolarHBondContact O-N 3.22Å; H103-Q106 HydrophobicContact CB-CB 4.34Å; H103-Q106 WeakPolarHBondContact CB-O 3.34Å; H103-Q106 PolarHBondContact N-O 3.12Å; H103-Q106 VanDerWaalsContact N-O 3.1Å; H103-Q106 CarbonylContact O-C 3.51Å; H103-Q106 PolarHBondContact O-N 2.97Å; H103-W107 PolarHBondContact O-NE1 2.91Å; H103-W107 VanDerWaalsContact O-NE1 3.14Å | ||
| 104 | N | 87.7 | Confident | 88.5 | Confident | 128 Ų | 128 | 81.9 Ų | 81.9 | 68% | 0.684 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -56.3 | -41.2 | -177.9 | -173.3 | 20.4 | 0 | 0 | 0 | 112.4 | ||
| 105 | N | 86.3 | Confident | 86.6 | Confident | 136 Ų | 136 | 86.1 Ų | 86.1 | 73% | 0.727 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -92.2 | -18 | -178.1 | -64.3 | -14 | 0 | 0 | 0 | 113.9 | H103 | H103-N105 PolarHBondContact ND1-N 3.21Å; H103-N105 PolarHBondContact O-N 3.22Å |
| 106 | Q | 89.4 | Confident | 84.6 | Confident | 118 Ų | 118 | 87.8 Ų | 87.8 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | trans | -136.1 | 116.4 | -173.5 | -170.1 | 174.1 | 16.9 | 0 | 0 | 110.8 | H103 V108 | H103-Q106 HydrophobicContact CB-CB 4.34Å; H103-Q106 WeakPolarHBondContact CB-O 3.34Å; H103-Q106 PolarHBondContact N-O 3.12Å; H103-Q106 VanDerWaalsContact N-O 3.1Å; H103-Q106 CarbonylContact O-C 3.51Å; H103-Q106 PolarHBondContact O-N 2.97Å; Q106-V108 HydrophobicContact CG-CG2 4.05Å | ||
| 107 | W | 92.4 | Very high | 82.2 | Confident | 36 Ų | 36 | 92.7 Ų | 92.7 | 14% | 0.136 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.5 | 170.7 | -62.2 | -11.1 | 0 | 0 | 0 | 109 | P70 K85 R89 H103 F109 | P70-W107 WeakPolarHBondContact CD-O 3.3Å; P70-W107 HydrophobicContact CG-CB 4.12Å; P70-W107 HydrophobicContact CG-CE3 4.15Å; K85-W107 HydrophobicContact CB-CE3 4.42Å; K85-W107 HydrophobicContact CB-CH2 4.12Å; K85-W107 HydrophobicContact CB-CZ3 3.62Å; K85-W107 HydrophobicContact CD-CE3 4.48Å; K85-W107 HydrophobicContact CD-CH2 4Å; K85-W107 HydrophobicContact CD-CZ3 4Å; K85-W107 HydrophobicContact CG-CE3 4.01Å; K85-W107 HydrophobicContact CG-CH2 4.12Å; K85-W107 HydrophobicContact CG-CZ3 3.6Å; R89-W107 HydrophobicContact CG-CH2 4.39Å; R89-W107 HydrophobicContact CG-CZ3 4.24Å; H103-W107 PolarHBondContact O-NE1 2.91Å; H103-W107 VanDerWaalsContact O-NE1 3.14Å; W107-F109 HydrophobicContact CB-CD2 4.41Å; W107-F109 HydrophobicContact CB-CE2 3.75Å; W107-F109 HydrophobicContact CB-CZ 4.45Å; W107-F109 HydrophobicContact CE3-CE2 4.14Å; W107-F109 HydrophobicContact CE3-CZ 4.37Å; W107-F109 HydrophobicContact CG-CE2 4.46Å |
| 108 | V | 94.3 | Very high | 79.5 | Confident | 20 Ų | 20 | 101.7 Ų | 101.7 | 12% | 0.121 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.5 | 176.6 | -173.6 | 0 | 0 | 0 | 0 | 107.9 | L67 T69 I100 V101 Q106 | L67-V108 HydrophobicContact CD1-CG1 3.77Å; T69-V108 HydrophobicContact CG2-CG2 4.37Å; I100-V108 HydrophobicContact CB-CG1 4.44Å; I100-V108 HydrophobicContact CD1-CG1 4.17Å; I100-V108 PolarHBondContact N-O 3.14Å; V101-V108 HydrophobicContact CB-CB 4.1Å; V101-V108 HydrophobicContact CB-CG2 4.2Å; V101-V108 HydrophobicContact CG2-CB 4.28Å; V101-V108 HydrophobicContact CG2-CG2 4.41Å; V101-V108 PolarHBondContact N-O 3.01Å; V101-V108 PolarHBondContact O-N 2.95Å; Q106-V108 HydrophobicContact CG-CG2 4.05Å |
| 109 | F | 93.7 | Very high | 77.3 | Confident | 5 Ų | 5 | 101.4 Ų | 101.4 | 2% | 0.022 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 159 | 172.3 | -56 | -93.5 | 0 | 0 | 0 | 109.5 | I68 L88 H92 I97 K98 Q99 W107 | I68-F109 HydrophobicContact CB-CB 3.81Å; I68-F109 WeakPolarHBondContact CB-O 3.47Å; I68-F109 HydrophobicContact CG2-CB 3.94Å; I68-F109 HydrophobicContact CG2-CD2 4.46Å; I68-F109 PolarHBondContact N-O 2.95Å; I68-F109 PolarHBondContact O-N 3.13Å; L88-F109 HydrophobicContact CB-CD2 4.47Å; L88-F109 HydrophobicContact CB-CE2 3.97Å; L88-F109 HydrophobicContact CB-CZ 4.37Å; L88-F109 HydrophobicContact CD1-CD2 4.08Å; L88-F109 HydrophobicContact CD1-CE2 4Å; L88-F109 HydrophobicContact CD2-CD2 4.41Å; L88-F109 HydrophobicContact CG-CE2 4.45Å; H92-F109 HydrophobicContact CB-CE1 3.97Å; H92-F109 AromaticContact CD2-CE1 3.87Å; H92-F109 AromaticContact CG-CE1 3.93Å; I97-F109 HydrophobicContact CB-CB 4.45Å; I97-F109 HydrophobicContact CD1-CB 3.96Å; I97-F109 HydrophobicContact CD1-CD1 3.65Å; I97-F109 HydrophobicContact CD1-CD2 4.33Å; I97-F109 HydrophobicContact CD1-CE1 4.19Å; I97-F109 HydrophobicContact CD1-CG 3.74Å; I97-F109 HydrophobicContact CG1-CB 4.43Å; I97-F109 HydrophobicContact CG1-CD1 4Å; I97-F109 HydrophobicContact CG1-CG 4.41Å; K98-F109 CarbonylContact O-C 3.5Å; K98-F109 WeakPolarHBondContact O-CA 3.29Å; Q99-F109 HydrophobicContact CB-CD1 3.78Å; Q99-F109 HydrophobicContact CB-CE1 3.76Å; Q99-F109 HydrophobicContact CG-CD1 4.14Å; Q99-F109 HydrophobicContact CG-CE1 3.88Å; W107-F109 HydrophobicContact CB-CD2 4.41Å; W107-F109 HydrophobicContact CB-CE2 3.75Å; W107-F109 HydrophobicContact CB-CZ 4.45Å; W107-F109 HydrophobicContact CE3-CE2 4.14Å; W107-F109 HydrophobicContact CE3-CZ 4.37Å; W107-F109 HydrophobicContact CG-CE2 4.46Å |
| 110 | T | 93.1 | Very high | 74.5 | Confident | 31 Ų | 31 | 107.9 Ų | 107.9 | 19% | 0.19 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.6 | 154.9 | 170.7 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | R66 K98 I100 | R66-T110 PolarHBondContact O-OG1 3.11Å; K98-T110 HydrophobicContact CB-CG2 3.89Å; K98-T110 HydrophobicContact CG-CG2 4.38Å; K98-T110 PolarHBondContact N-O 2.9Å; K98-T110 PolarHBondContact O-N 3.14Å; I100-T110 HydrophobicContact CD1-CG2 3.69Å; I100-T110 HydrophobicContact CG1-CG2 3.79Å |
| 111 | R | 90.5 | Very high | 72.3 | Confident | 123 Ų | 123 | 107.7 Ų | 107.7 | 46% | 0.464 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -53 | 149.5 | 164.5 | 68.8 | -179.5 | -171.6 | -175.6 | 6.4 | 111.1 | V63 Y65 T113 | V63-R111 WeakPolarHBondContact O-CB 3.05Å; Y65-R111 WeakPolarHBondContact O-CB 3.44Å; Y65-R111 PolarHBondContact O-N 2.96Å; R111-T113 HydrophobicContact CG-CG2 4.4Å |
| 112 | N | 84.2 | Confident | 69.8 | Low | 71 Ų | 71 | 108.1 Ų | 108.1 | 38% | 0.38 | 59% | 0.587 | S | S | . | * | trans | -78.2 | 123.9 | 169.9 | -148.2 | 9.2 | 0 | 0 | 0 | 108.8 | G95 K114 | G95-N112 PolarHBondContact O-ND2 3.44Å; N112-K114 VanDerWaalsContact C-N 3.33Å | ||
| 113 | T | 76.3 | Confident | 67.4 | Low | 113 Ų | 113 | 112.8 Ų | 112.8 | 69% | 0.693 | 60% | 0.598 | S | S | * | * | trans | -91.5 | 3.5 | -179.3 | 53 | 0 | 0 | 0 | 0 | 113 | R111 | R111-T113 HydrophobicContact CG-CG2 4.4Š| ||
| 114 | K | 65.3 | Low | 64.7 | Low | 160 Ų | 160 | 119.2 Ų | 119.2 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | trans | -98.5 | 85.8 | 176.2 | -65.7 | -175.2 | 177.6 | -178.3 | 0 | 108.7 | N112 G116 | N112-K114 VanDerWaalsContact C-N 3.33Å; K114-G116 PolarHBondContact O-N 2.85Å | ||
| 115 | E | 49.2 | Very low | 63.5 | Low | 198 Ų | 198 | 118.8 Ų | 118.8 | 93% | 0.925 | 63% | 0.633 | S | S | * | * | trans | -68.6 | 119.8 | 158.8 | -70.2 | 178.5 | 162 | 0 | 0 | 107.1 | ||||
| 116 | G | 48.6 | Very low | 62.3 | Low | 76 Ų | 76 | 117.8 Ų | 117.8 | 78% | 0.784 | 63% | 0.628 | S | S | * | * | trans | 84.3 | 49.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | K114 | K114-G116 PolarHBondContact O-N 2.85Š| ||
| 117 | K | 38.3 | Very low | 60.8 | Low | 165 Ų | 165 | 117.8 Ų | 117.8 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | trans | -123.5 | 89.8 | 150.6 | -84.9 | -166.7 | 171.6 | -169.1 | 0 | 110.3 | D119 | K117-D119 VanDerWaalsContact C-N 3.28Å; K117-D119 PolarHBondContact O-N 3.46Å | ||
| 118 | E | 35.3 | Very low | 59 | Low | 193 Ų | 193 | 122.6 Ų | 122.6 | 90% | 0.902 | 66% | 0.661 | S | S | * | * | trans | -54.6 | 102.9 | 138.5 | -68.8 | 179.1 | 147.7 | 0 | 0 | 105.8 | ||||
| 119 | D | 45 | Very low | 56.8 | Low | 124 Ų | 124 | 129.1 Ų | 129.1 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | trans | -163.2 | 117.7 | 163.9 | -85.8 | -46.8 | 0 | 0 | 0 | 108.7 | K117 | K117-D119 VanDerWaalsContact C-N 3.28Å; K117-D119 PolarHBondContact O-N 3.46Å | ||
| 120 | Q | 32.9 | Very low | 54.3 | Low | 200 Ų | 200 | 137.3 Ų | 137.3 | 94% | 0.935 | 74% | 0.74 | S | S | * | * | trans | -42.8 | 133.8 | 167.1 | -61.7 | 160.9 | 24 | 0 | 0 | 111.3 | ||||
| 121 | A | 43.4 | Very low | 51.5 | Low | 99 Ų | 99 | 144.9 Ų | 144.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -154.1 | 99.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 122 | G | 38.9 | Very low | 48.5 | Very low | 71 Ų | 71 | 146.6 Ų | 146.6 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 73.6 | 107.5 | 153 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 123 | E | 38.3 | Very low | 45.6 | Very low | 197 Ų | 197 | 152.9 Ų | 152.9 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | 66.2 | 85.2 | 71.3 | -158.2 | 163.3 | 135.3 | 0 | 0 | 112.1 | |||||
| 124 | D | 35.4 | Very low | 42.8 | Very low | 239 Ų | 239 | 156.5 Ų | 156.5 | 100% | 1.278 | 85% | 0.852 | S | S | * | * | -139.2 | 0 | 112.4 | -102.2 | -67.2 | 0 | 0 | 0 | 107.8 |
Retrieved 124 of 124 residues in 31.3 ms
(Link to these results)