| 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 | 38 | Very low | 42.9 | Very low | 235 Ų | 235 | 161.7 Ų | 161.7 | 100% | 1.158 | 80% | 0.795 | S | S | * | * | 0 | 120.3 | 0 | -64.8 | 156.3 | 76.9 | 0 | 0 | 108 | |||||
| 2 | P | 48.4 | Very low | 42.5 | Very low | 129 Ų | 129 | 156.3 Ų | 156.3 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -107.9 | 132.4 | 168.7 | 35.3 | -25.6 | 0 | 0 | 0 | 111.2 | ||||
| 3 | P | 59.3 | Low | 41.6 | Very low | 110 Ų | 110 | 150.5 Ų | 150.5 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | trans | -142.5 | 163.6 | 147.4 | 39.5 | -26 | 0 | 0 | 0 | 114.5 | ||||
| 4 | K | 46 | Very low | 41.3 | Very low | 182 Ų | 182 | 155.1 Ų | 155.1 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | 80.1 | 150.6 | 165 | -55.5 | -168.4 | 172.9 | -173 | 0 | 117.7 | ||||
| 5 | D | 48 | Very low | 40.9 | Very low | 136 Ų | 136 | 153 Ų | 153 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -171.3 | 163.5 | -18 | -93.4 | -21.6 | 0 | 0 | 0 | 106.5 | ||||
| 6 | D | 48.2 | Very low | 41 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 56% | 0.556 | 81% | 0.813 | S | S | * | * | cis | -174 | 139.8 | -18.7 | 166.8 | 56.4 | 0 | 0 | 0 | 110.4 | ||||
| 7 | K | 43 | Very low | 40.8 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 74% | 0.735 | 82% | 0.815 | S | S | * | * | trans | 63.3 | 159.8 | 170.3 | -72.8 | 165 | -164.5 | 74.8 | 0 | 117 | ||||
| 8 | K | 35.3 | Very low | 40.4 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | cis | -159.1 | 156.2 | 35.9 | -156.8 | 169.7 | -175.7 | 175.3 | 0 | 113.9 | ||||
| 9 | K | 39.5 | Very low | 40.6 | Very low | 195 Ų | 195 | 151.9 Ų | 151.9 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -78.3 | 163.4 | 178.7 | -62.3 | 173.7 | 173.9 | 178.3 | 0 | 114.5 | ||||
| 10 | K | 32.9 | Very low | 40.5 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | 145.9 | 153.8 | 132.4 | -85 | -178.5 | 158 | -100.3 | 0 | 111.7 | ||||
| 11 | D | 33.8 | Very low | 40.7 | Very low | 127 Ų | 127 | 154.6 Ų | 154.6 | 68% | 0.679 | 81% | 0.809 | S | S | * | * | cis | -152.3 | -176.1 | -5.9 | -134.8 | -55.2 | 0 | 0 | 0 | 111.7 | ||||
| 12 | A | 38.2 | Very low | 41 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -78.3 | 162.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 13 | G | 30.8 | Very low | 40.9 | Very low | 82 Ų | 82 | 149.3 Ų | 149.3 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -165.5 | 139 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 14 | K | 37.6 | Very low | 40.3 | Very low | 214 Ų | 214 | 150.7 Ų | 150.7 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -138.9 | 129.6 | -163.5 | 172.7 | -171.7 | -178.1 | -178.5 | 0 | 111 | ||||
| 15 | S | 34.4 | Very low | 40.1 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -153 | 146.5 | 163 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 16 | A | 42.3 | Very low | 39.9 | Very low | 99 Ų | 99 | 150.3 Ų | 150.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -127.8 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 17 | K | 38.7 | Very low | 39.8 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | 95.9 | 129.2 | 158.8 | -99.3 | 176.1 | -177.1 | 175.4 | 0 | 120.1 | ||||
| 18 | K | 32.8 | Very low | 40.2 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 74% | 0.735 | 81% | 0.805 | S | S | * | * | trans | 91.9 | 107.5 | 146.9 | -67.4 | -155.8 | 168.8 | -168.7 | 0 | 121.2 | ||||
| 19 | D | 44.4 | Very low | 41.2 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 67% | 0.674 | 81% | 0.805 | S | S | * | * | 56.8 | 101.4 | 118.5 | -46.8 | -34.2 | 0 | 0 | 0 | 118.8 | |||||
| 20 | K | 37.9 | Very low | 42.2 | Very low | 205 Ų | 205 | 139.3 Ų | 139.3 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -162.4 | 102.8 | 137 | -109.5 | 167.8 | -173.5 | 178.4 | 0 | 109.1 | P22 | K20-P22 VanDerWaalsContact O-CD 3.27Å; K20-P22 WeakPolarHBondContact O-CD 3.46Å | ||
| 21 | D | 45.1 | Very low | 43.8 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -64.1 | 121.6 | 167.4 | -68 | -79.9 | 0 | 0 | 0 | 110.5 | V23 | D21-V23 PolarHBondContact O-N 3.48Š| ||
| 22 | P | 45.2 | Very low | 45.8 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -88.4 | 101.3 | 159.1 | 31.3 | -20.3 | 0 | 0 | 0 | 107.9 | K20 N24 | K20-P22 VanDerWaalsContact O-CD 3.27Å; K20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-N24 PolarHBondContact O-N 3.3Å | ||
| 23 | V | 44.9 | Very low | 47.6 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -36.1 | 132.2 | 162.7 | 163.1 | 0 | 0 | 0 | 0 | 111.6 | D21 | D21-V23 PolarHBondContact O-N 3.48Š| ||
| 24 | N | 48.5 | Very low | 49.8 | Very low | 139 Ų | 139 | 150.8 Ų | 150.8 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | 56.8 | 90.1 | 159.9 | -167 | 1.4 | 0 | 0 | 0 | 117.2 | P22 S26 | P22-N24 PolarHBondContact O-N 3.3Å; N24-S26 PolarHBondContact OD1-N 2.97Å | ||
| 25 | K | 40.7 | Very low | 51.2 | Low | 206 Ų | 206 | 151 Ų | 151 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | -123.4 | 95.1 | 146.1 | -86.2 | 180 | 178 | 169.2 | 0 | 111 | ||||
| 26 | S | 43.1 | Very low | 53.1 | Low | 104 Ų | 104 | 149 Ų | 149 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 19 | 109.6 | 144.9 | -174.3 | 0 | 0 | 0 | 0 | 115.9 | N24 G28 | N24-S26 PolarHBondContact OD1-N 2.97Å; S26-G28 PolarHBondContact O-N 3.44Å | ||
| 27 | G | 47.2 | Very low | 54.3 | Low | 80 Ų | 80 | 154.7 Ų | 154.7 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -66.6 | 70.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K29 | G27-K29 PolarHBondContact O-N 3.26Å; G27-K29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | G | 50.9 | Low | 56 | Low | 64 Ų | 64 | 148.5 Ų | 148.5 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | -58.2 | 114.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S26 A30 | S26-G28 PolarHBondContact O-N 3.44Å; G28-A30 VanDerWaalsContact C-N 3.34Å; G28-A30 PolarHBondContact O-N 2.9Å | ||
| 29 | K | 56.1 | Low | 57.8 | Low | 204 Ų | 204 | 150.3 Ų | 150.3 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -58 | 93 | 179.8 | -75.5 | 175.6 | 176.6 | 169.5 | 0 | 110.5 | G27 K31 | G27-K29 PolarHBondContact O-N 3.26Å; G27-K29 VanDerWaalsContact O-N 3.12Å; K29-K31 PolarHBondContact O-N 2.89Å | ||
| 30 | A | 61.8 | Low | 59.5 | Low | 95 Ų | 95 | 150.7 Ų | 150.7 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -53.2 | 115.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | G28 K32 | G28-A30 VanDerWaalsContact C-N 3.34Å; G28-A30 PolarHBondContact O-N 2.9Å; A30-K32 VanDerWaalsContact C-N 3.27Å; A30-K32 PolarHBondContact O-N 3.09Å | ||
| 31 | K | 65.6 | Low | 61.5 | Low | 208 Ų | 208 | 151 Ų | 151 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | trans | -74.5 | 81.9 | -169.1 | -159.7 | 174.9 | -171.9 | 176 | 0 | 109.1 | K29 K33 | K29-K31 PolarHBondContact O-N 2.89Å; K31-K33 PolarHBondContact O-N 3.2Å | ||
| 32 | K | 76.1 | Confident | 63.5 | Low | 195 Ų | 195 | 150.1 Ų | 150.1 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -40.9 | 126.2 | -177.6 | -175 | 173.5 | -178.6 | 174.7 | 0 | 110.3 | A30 K34 | A30-K32 VanDerWaalsContact C-N 3.27Å; A30-K32 PolarHBondContact O-N 3.09Å; K32-K34 PolarHBondContact O-N 2.9Å | ||
| 33 | K | 75.7 | Confident | 65.5 | Low | 144 Ų | 144 | 152.9 Ų | 152.9 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | trans | -49.1 | 111.1 | -173.5 | -175.2 | 174.4 | 178.9 | 177.6 | 0 | 110.2 | K31 W35 | K31-K33 PolarHBondContact O-N 3.2Å; K33-W35 HydrophobicContact CB-CE3 4.3Å; K33-W35 HydrophobicContact CB-CZ3 4.33Å; K33-W35 HydrophobicContact CD-CD2 4.26Å; K33-W35 HydrophobicContact CD-CE3 4.43Å; K33-W35 HydrophobicContact CD-CH2 4.03Å; K33-W35 HydrophobicContact CD-CZ2 3.81Å; K33-W35 HydrophobicContact CD-CZ3 4.32Å; K33-W35 HydrophobicContact CG-CD2 4.24Å; K33-W35 HydrophobicContact CG-CE3 4.29Å; K33-W35 PolarHBondContact O-N 3.47Å | ||
| 34 | K | 76.1 | Confident | 67.4 | Low | 186 Ų | 186 | 152.2 Ų | 152.2 | 81% | 0.809 | 78% | 0.78 | S | S | * | * | trans | -82 | 85.1 | -174.2 | -156.4 | 177.9 | -173.4 | -176.7 | 0 | 109.2 | K32 S36 | K32-K34 PolarHBondContact O-N 2.9Å; K34-S36 PolarHBondContact O-N 2.9Å | ||
| 35 | W | 68.1 | Low | 69.3 | Low | 218 Ų | 218 | 152 Ų | 152 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -68.4 | 80.1 | 173.4 | -85.7 | -75.2 | 0 | 0 | 0 | 110.8 | K33 | K33-W35 HydrophobicContact CB-CE3 4.3Å; K33-W35 HydrophobicContact CB-CZ3 4.33Å; K33-W35 HydrophobicContact CD-CD2 4.26Å; K33-W35 HydrophobicContact CD-CE3 4.43Å; K33-W35 HydrophobicContact CD-CH2 4.03Å; K33-W35 HydrophobicContact CD-CZ2 3.81Å; K33-W35 HydrophobicContact CD-CZ3 4.32Å; K33-W35 HydrophobicContact CG-CD2 4.24Å; K33-W35 HydrophobicContact CG-CE3 4.29Å; K33-W35 PolarHBondContact O-N 3.47Å | ||
| 36 | S | 73.3 | Confident | 71.7 | Confident | 81 Ų | 81 | 145 Ų | 145 | 57% | 0.566 | 75% | 0.751 | S | S | * | * | trans | -149.1 | 86.1 | 167.9 | 62 | 0 | 0 | 0 | 0 | 108.2 | K34 G38 | K34-S36 PolarHBondContact O-N 2.9Å; S36-G38 PolarHBondContact O-N 3.36Å | ||
| 37 | K | 69.1 | Low | 74 | Confident | 220 Ų | 220 | 143.3 Ų | 143.3 | 96% | 0.957 | 73% | 0.733 | S | S | * | * | trans | -77.6 | 112.3 | 179.3 | -168 | 179.5 | -176.7 | -175.9 | 0 | 108.6 | ||||
| 38 | G | 72.8 | Confident | 76 | Confident | 66 Ų | 66 | 143.5 Ų | 143.5 | 68% | 0.68 | 72% | 0.719 | S | S | * | * | trans | 75.2 | 80.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S36 | S36-G38 PolarHBondContact O-N 3.36Š| ||
| 39 | K | 71.6 | Confident | 77.9 | Confident | 207 Ų | 207 | 146.9 Ų | 146.9 | 90% | 0.9 | 72% | 0.721 | S | S | * | * | trans | -120.2 | 76.3 | 146.6 | -157.5 | 167.2 | -167.7 | 170 | 0 | 108.1 | R41 | K39-R41 PolarHBondContact O-N 2.89Š| ||
| 40 | V | 79.9 | Confident | 79.4 | Confident | 134 Ų | 134 | 139.8 Ų | 139.8 | 81% | 0.812 | 69% | 0.69 | S | S | * | * | trans | -72.1 | 120.7 | 173.7 | -176.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 41 | R | 80.3 | Confident | 80.8 | Confident | 213 Ų | 213 | 139.4 Ų | 139.4 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | -134.2 | 123.7 | 170.1 | -178.1 | 177.9 | -173.3 | 166.6 | 5.5 | 106.1 | K39 | K39-R41 PolarHBondContact O-N 2.89Š| ||
| 42 | D | 86.4 | Confident | 81.9 | Confident | 136 Ų | 136 | 137.8 Ų | 137.8 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -59.3 | 143 | -178.3 | -62 | -71.5 | 0 | 0 | 0 | 111.7 | L44 | D42-L44 PolarHBondContact O-N 3.04Å; D42-L44 VanDerWaalsContact O-N 3.12Å | ||
| 43 | K | 86.4 | Confident | 82.6 | Confident | 178 Ų | 178 | 131.5 Ų | 131.5 | 77% | 0.774 | 65% | 0.652 | S | S | * | * | trans | -73.6 | 107.7 | -179.7 | -175.4 | -174.3 | -72.2 | 179.1 | 0 | 108.7 | N45 | K43-N45 PolarHBondContact O-N 3.2Š| ||
| 44 | L | 85.8 | Confident | 83.3 | Confident | 119 Ų | 119 | 125.5 Ų | 125.5 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | trans | -70.1 | 113.3 | 167.9 | -63.3 | 177.4 | 0 | 0 | 0 | 109.5 | D42 N46 | D42-L44 PolarHBondContact O-N 3.04Å; D42-L44 VanDerWaalsContact O-N 3.12Å; L44-N46 PolarHBondContact O-N 2.96Å | ||
| 45 | N | 89 | Confident | 84 | Confident | 134 Ų | 134 | 119.8 Ų | 119.8 | 72% | 0.717 | 60% | 0.601 | S | S | * | * | trans | -85.7 | 82.6 | 177.6 | -66.4 | -29.4 | 0 | 0 | 0 | 109.7 | K43 | K43-N45 PolarHBondContact O-N 3.2Š| ||
| 46 | N | 90.8 | Very high | 85.1 | Confident | 60 Ų | 60 | 113 Ų | 113 | 32% | 0.321 | 58% | 0.581 | S | S | . | * | trans | -83.5 | 134.7 | 175.2 | -65.9 | -23 | 0 | 0 | 0 | 111 | L44 K78 | L44-N46 PolarHBondContact O-N 2.96Å; N46-K78 CarbonylContact C-O 3.55Å; N46-K78 WeakPolarHBondContact CA-O 3.49Å | ||
| 47 | L | 90.3 | Very high | 85.9 | Confident | 67 Ų | 67 | 114.2 Ų | 114.2 | 35% | 0.351 | 58% | 0.576 | S | S | . | * | B | Isolated β-bridge | trans | -62.5 | 139.6 | 176.6 | -61.8 | 173.2 | 0 | 0 | 0 | 111.3 | T54 K78 R80 | L47-T54 HydrophobicContact CD1-CG2 3.99Å; L47-K78 PolarHBondContact N-O 3.12Å; L47-R80 WeakPolarHBondContact O-CB 3.35Å; L47-R80 PolarHBondContact O-N 3.44Å |
| 48 | V | 89.6 | Confident | 87 | Confident | 85 Ų | 85 | 103.9 Ų | 103.9 | 52% | 0.515 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -107.2 | -9 | -176.4 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | L83 | V48-L83 WeakPolarHBondContact O-CD1 3.13Š|
| 49 | L | 90.4 | Very high | 87.8 | Confident | 135 Ų | 135 | 102.7 Ų | 102.7 | 71% | 0.707 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -127.6 | 163.2 | 170.8 | -63.5 | 174.4 | 0 | 0 | 0 | 108.8 | ||
| 50 | F | 88.4 | Confident | 88.6 | Confident | 55 Ų | 55 | 100.7 Ų | 100.7 | 24% | 0.241 | 50% | 0.503 | C | S | . | . | trans | -89.5 | 127.6 | 168.5 | -80.2 | -71.3 | 0 | 0 | 0 | 110.3 | Y55 L58 I79 L83 A87 | F50-Y55 HydrophobicContact CD1-CD2 4.46Å; F50-Y55 HydrophobicContact CG-CD2 4.36Å; F50-L58 HydrophobicContact CE1-CD1 3.86Å; F50-L58 HydrophobicContact CZ-CD1 3.91Å; F50-I79 HydrophobicContact CD1-CG2 4.46Å; F50-I79 HydrophobicContact CE1-CD1 3.68Å; F50-I79 HydrophobicContact CE1-CG2 4.07Å; F50-I79 HydrophobicContact CZ-CD1 3.61Å; F50-L83 HydrophobicContact CD2-CD1 4.3Å; F50-L83 HydrophobicContact CD2-CD2 4.33Å; F50-L83 HydrophobicContact CE2-CB 3.92Å; F50-L83 HydrophobicContact CE2-CD1 4.27Å; F50-L83 HydrophobicContact CE2-CD2 4.17Å; F50-L83 HydrophobicContact CE2-CG 4.36Å; F50-L83 HydrophobicContact CZ-CB 4.12Å; F50-A87 HydrophobicContact CE2-CB 3.98Å; F50-A87 HydrophobicContact CZ-CB 3.63Å | ||
| 51 | D | 91.1 | Very high | 89.1 | Confident | 86 Ų | 86 | 97.7 Ų | 97.7 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | trans | -86.9 | 152.3 | 162.9 | -51.5 | -51.4 | 0 | 0 | 0 | 109.3 | A53 T54 Y55 | D51-A53 VanDerWaalsContact C-N 3.27Å; D51-A53 PolarHBondContact O-N 2.81Å; D51-T54 HydrophobicContact CB-CG2 4.37Å; D51-T54 PolarHBondContact N-OG1 3.36Å; D51-T54 WeakPolarHBondContact O-CA 3.41Å; D51-T54 PolarHBondContact O-N 3.17Å; D51-T54 PolarHBondContact O-OG1 3.38Å; D51-Y55 PolarHBondContact O-N 3.36Å | ||
| 52 | K | 89.1 | Confident | 89.5 | Confident | 175 Ų | 175 | 87.6 Ų | 87.6 | 76% | 0.761 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -50 | -47.5 | 179.1 | -167 | 177.6 | -175.4 | -173.8 | 0 | 112.2 | T54 Y55 D56 | K52-T54 VanDerWaalsContact C-N 3.3Å; K52-T54 PolarHBondContact O-N 3.43Å; K52-Y55 PolarHBondContact O-N 3.41Å; K52-D56 VanDerWaalsContact O-CG 3.31Å; K52-D56 PolarHBondContact O-N 3.35Å |
| 53 | A | 91.6 | Very high | 89.7 | Confident | 62 Ų | 62 | 82.6 Ų | 82.6 | 51% | 0.512 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.4 | -27.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D51 K57 | D51-A53 VanDerWaalsContact C-N 3.27Å; D51-A53 PolarHBondContact O-N 2.81Å; A53-K57 VanDerWaalsContact O-CG 3.27Å; A53-K57 WeakPolarHBondContact O-CG 3.41Å; A53-K57 PolarHBondContact O-N 3.27Å |
| 54 | T | 89.8 | Confident | 89.8 | Confident | 18 Ų | 18 | 79.5 Ų | 79.5 | 11% | 0.11 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -82.1 | -32.1 | 175.1 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | L47 D51 K52 L58 | L47-T54 HydrophobicContact CD1-CG2 3.99Å; D51-T54 HydrophobicContact CB-CG2 4.37Å; D51-T54 PolarHBondContact N-OG1 3.36Å; D51-T54 WeakPolarHBondContact O-CA 3.41Å; D51-T54 PolarHBondContact O-N 3.17Å; D51-T54 PolarHBondContact O-OG1 3.38Å; K52-T54 VanDerWaalsContact C-N 3.3Å; K52-T54 PolarHBondContact O-N 3.43Å; T54-L58 WeakPolarHBondContact O-CB 2.95Å; T54-L58 PolarHBondContact O-N 2.97Å |
| 55 | Y | 90.9 | Very high | 90.1 | Very high | 66 Ų | 66 | 76.4 Ų | 76.4 | 26% | 0.259 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 173.3 | -163.5 | -99.2 | 0 | 0 | 0 | 111.6 | F50 D51 K52 K57 L58 C59 E90 K94 | F50-Y55 HydrophobicContact CD1-CD2 4.46Å; F50-Y55 HydrophobicContact CG-CD2 4.36Å; D51-Y55 PolarHBondContact O-N 3.36Å; K52-Y55 PolarHBondContact O-N 3.41Å; Y55-K57 VanDerWaalsContact C-N 3.29Å; Y55-K57 PolarHBondContact O-N 2.93Å; Y55-L58 WeakPolarHBondContact O-CB 3.44Å; Y55-L58 PolarHBondContact O-N 3.36Å; Y55-L58 VanDerWaalsContact O-N 3.12Å; Y55-C59 PolarHBondContact O-N 2.78Å; Y55-C59 PolarHBondContact O-SG 3Å; Y55-E90 PolarHBondContact OH-OE2 2.75Å; Y55-K94 PolarHBondContact OH-NZ 3.02Å |
| 56 | D | 90.7 | Very high | 90.2 | Very high | 75 Ų | 75 | 78.4 Ų | 78.4 | 40% | 0.401 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.7 | -36.7 | 176.7 | -67.6 | -30.4 | 0 | 0 | 0 | 112.1 | K52 K60 | K52-D56 VanDerWaalsContact O-CG 3.31Å; K52-D56 PolarHBondContact O-N 3.35Å; D56-K60 WeakPolarHBondContact O-CG 3.31Å; D56-K60 PolarHBondContact O-N 2.98Å |
| 57 | K | 90.7 | Very high | 90.2 | Very high | 108 Ų | 108 | 80.4 Ų | 80.4 | 47% | 0.47 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67 | -45.4 | 171.5 | -74.2 | 174.3 | -174.8 | -176.7 | 0 | 111.9 | A53 Y55 C59 K60 E61 L77 | A53-K57 VanDerWaalsContact O-CG 3.27Å; A53-K57 WeakPolarHBondContact O-CG 3.41Å; A53-K57 PolarHBondContact O-N 3.27Å; Y55-K57 VanDerWaalsContact C-N 3.29Å; Y55-K57 PolarHBondContact O-N 2.93Å; K57-C59 VanDerWaalsContact C-N 3.33Å; K57-C59 PolarHBondContact O-N 3.28Å; K57-K60 PolarHBondContact O-N 3.43Å; K57-E61 WeakPolarHBondContact O-CB 3.45Å; K57-E61 WeakPolarHBondContact O-CG 3.15Å; K57-E61 PolarHBondContact O-N 3.18Å; K57-L77 HydrophobicContact CB-CD2 3.93Å |
| 58 | L | 90.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 77.2 Ų | 77.2 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.6 | -46.4 | 178.9 | -179.7 | 135.9 | 0 | 0 | 0 | 111.7 | F50 T54 Y55 K60 V62 V73 L77 I79 A87 L91 | F50-L58 HydrophobicContact CE1-CD1 3.86Å; F50-L58 HydrophobicContact CZ-CD1 3.91Å; T54-L58 WeakPolarHBondContact O-CB 2.95Å; T54-L58 PolarHBondContact O-N 2.97Å; Y55-L58 WeakPolarHBondContact O-CB 3.44Å; Y55-L58 PolarHBondContact O-N 3.36Å; Y55-L58 VanDerWaalsContact O-N 3.12Å; L58-K60 VanDerWaalsContact C-N 3.3Å; L58-K60 PolarHBondContact O-N 3.3Å; L58-V62 HydrophobicContact CG-CG2 4.02Å; L58-V62 VanDerWaalsContact O-CB 3.27Å; L58-V62 WeakPolarHBondContact O-CB 3.14Å; L58-V62 WeakPolarHBondContact O-CG2 3.46Å; L58-V62 PolarHBondContact O-N 3.13Å; L58-V73 HydrophobicContact CD1-CG1 4.42Å; L58-L77 HydrophobicContact CB-CD1 3.81Å; L58-L77 HydrophobicContact CD1-CD1 3.82Å; L58-L77 HydrophobicContact CG-CD1 4.14Å; L58-I79 HydrophobicContact CD1-CD1 4.32Å; L58-A87 HydrophobicContact CD1-CB 3.59Å; L58-A87 HydrophobicContact CD2-CB 4.16Å; L58-L91 HydrophobicContact CD2-CD1 3.71Å; L58-L91 HydrophobicContact CD2-CD2 4.11Å; L58-L91 HydrophobicContact CD2-CG 3.96Å; L58-L91 HydrophobicContact CG-CD1 4.26Å |
| 59 | C | 89.6 | Confident | 90.6 | Very high | 41 Ų | 41 | 73.8 Ų | 73.8 | 28% | 0.277 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.5 | -28.8 | 179.9 | -67.7 | 0 | 0 | 0 | 0 | 113.8 | Y55 K57 P63 | Y55-C59 PolarHBondContact O-N 2.78Å; Y55-C59 PolarHBondContact O-SG 3Å; K57-C59 VanDerWaalsContact C-N 3.33Å; K57-C59 PolarHBondContact O-N 3.28Å; C59-P63 WeakPolarHBondContact O-CD 3.36Å; C59-P63 WeakPolarHBondContact O-CG 3.4Å |
| 60 | K | 89.1 | Confident | 90.8 | Very high | 164 Ų | 164 | 68.3 Ų | 68.3 | 71% | 0.713 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -93.1 | -43.3 | -178.2 | -67.8 | 173.7 | -175.9 | 176.6 | 0 | 113.2 | D56 K57 L58 | D56-K60 WeakPolarHBondContact O-CG 3.31Å; D56-K60 PolarHBondContact O-N 2.98Å; K57-K60 PolarHBondContact O-N 3.43Å; L58-K60 VanDerWaalsContact C-N 3.3Å; L58-K60 PolarHBondContact O-N 3.3Å |
| 61 | E | 89.7 | Confident | 91 | Very high | 72 Ų | 72 | 68.8 Ų | 68.8 | 34% | 0.336 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -83.4 | -41.6 | -172.7 | -65.2 | -178.9 | -155.4 | 0 | 0 | 112.7 | K57 N64 Y65 | K57-E61 WeakPolarHBondContact O-CB 3.45Å; K57-E61 WeakPolarHBondContact O-CG 3.15Å; K57-E61 PolarHBondContact O-N 3.18Å; E61-N64 WeakPolarHBondContact O-CB 3.41Å; E61-N64 PolarHBondContact O-N 2.73Å; E61-N64 VanDerWaalsContact O-N 3.09Å; E61-Y65 HydrophobicContact CB-CE2 4.35Å; E61-Y65 PolarHBondContact OE2-OH 3.1Å; E61-Y65 VanDerWaalsContact OE2-OH 3.04Å |
| 62 | V | 89.8 | Confident | 91.1 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -62.2 | -43.9 | -173.6 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | L58 N64 Y65 I68 V73 L77 L88 L91 I97 | L58-V62 HydrophobicContact CG-CG2 4.02Å; L58-V62 VanDerWaalsContact O-CB 3.27Å; L58-V62 WeakPolarHBondContact O-CB 3.14Å; L58-V62 WeakPolarHBondContact O-CG2 3.46Å; L58-V62 PolarHBondContact O-N 3.13Å; V62-N64 PolarHBondContact O-N 3.35Å; V62-Y65 HydrophobicContact CG2-CE2 4.43Å; V62-Y65 PolarHBondContact O-N 3.1Å; V62-I68 HydrophobicContact CG1-CD1 4.06Å; V62-I68 HydrophobicContact CG1-CG1 4.35Å; V62-I68 HydrophobicContact CG1-CG2 3.74Å; V62-I68 WeakPolarHBondContact O-CD1 3.27Å; V62-V73 HydrophobicContact CG2-CG2 4.33Å; V62-L77 HydrophobicContact CG2-CD1 4.38Å; V62-L88 HydrophobicContact CG1-CD2 3.94Å; V62-L91 HydrophobicContact CB-CD1 3.84Å; V62-L91 HydrophobicContact CG1-CD1 3.61Å; V62-L91 HydrophobicContact CG2-CD1 4.45Å; V62-I97 HydrophobicContact CG1-CG2 4.45Å |
| 63 | P | 90.1 | Very high | 91.2 | Very high | 31 Ų | 31 | 58.1 Ų | 58.1 | 20% | 0.201 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -66.4 | -13.9 | 176.5 | -22.6 | 36 | 0 | 0 | 0 | 114.8 | C59 L96 R111 | C59-P63 WeakPolarHBondContact O-CD 3.36Å; C59-P63 WeakPolarHBondContact O-CG 3.4Å; P63-L96 HydrophobicContact CG-CB 4.11Å; P63-R111 WeakPolarHBondContact O-CB 3.32Å |
| 64 | N | 89.7 | Confident | 91.2 | Very high | 113 Ų | 113 | 56.4 Ų | 56.4 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -80.2 | -29.5 | 176.7 | -168 | 14.3 | 0 | 0 | 0 | 112 | E61 V62 | E61-N64 WeakPolarHBondContact O-CB 3.41Å; E61-N64 PolarHBondContact O-N 2.73Å; E61-N64 VanDerWaalsContact O-N 3.09Å; V62-N64 PolarHBondContact O-N 3.35Å |
| 65 | Y | 90.6 | Very high | 91.3 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | trans | -68.9 | 134.1 | -174 | -55.9 | -39.7 | 0 | 0 | 0 | 112.8 | E61 V62 R111 | E61-Y65 HydrophobicContact CB-CE2 4.35Å; E61-Y65 PolarHBondContact OE2-OH 3.1Å; E61-Y65 VanDerWaalsContact OE2-OH 3.04Å; V62-Y65 HydrophobicContact CG2-CE2 4.43Å; V62-Y65 PolarHBondContact O-N 3.1Å; Y65-R111 PolarHBondContact O-N 3.3Å | ||
| 66 | K | 91 | Very high | 91.3 | Very high | 176 Ų | 176 | 65.5 Ų | 65.5 | 77% | 0.765 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -65.6 | -40.4 | 177.1 | -173.7 | 176.7 | 179.8 | 179.7 | 0 | 112.4 | ||
| 67 | L | 91.8 | Very high | 91.2 | Very high | 102 Ų | 102 | 62.7 Ų | 62.7 | 53% | 0.534 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -117.9 | 121.5 | 177.5 | 179.1 | 143.7 | 0 | 0 | 0 | 109.2 | T69 V72 | L67-T69 HydrophobicContact CD2-CG2 3.84Å; L67-T69 HydrophobicContact CG-CG2 4.42Å; L67-V72 HydrophobicContact CD2-CG2 4.02Å |
| 68 | I | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -121 | 117.3 | -176.4 | -59.3 | 169.7 | 0 | 0 | 0 | 108 | V62 V73 L88 I97 Y109 | V62-I68 HydrophobicContact CG1-CD1 4.06Å; V62-I68 HydrophobicContact CG1-CG1 4.35Å; V62-I68 HydrophobicContact CG1-CG2 3.74Å; V62-I68 WeakPolarHBondContact O-CD1 3.27Å; I68-V73 HydrophobicContact CG2-CG2 4.42Å; I68-L88 HydrophobicContact CG2-CD1 4.33Å; I68-L88 HydrophobicContact CG2-CD2 3.28Å; I68-L88 HydrophobicContact CG2-CG 4.46Å; I68-I97 HydrophobicContact CD1-CB 4.25Å; I68-I97 HydrophobicContact CD1-CG2 3.61Å; I68-Y109 WeakPolarHBondContact CB-O 3.43Å; I68-Y109 PolarHBondContact N-O 3.12Å; I68-Y109 PolarHBondContact O-N 2.95Å |
| 69 | T | 94.6 | Very high | 91.3 | Very high | 14 Ų | 14 | 62.8 Ų | 62.8 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | trans | -140.9 | 156 | 176.1 | 63 | 0 | 0 | 0 | 0 | 110.1 | L67 A71 V72 V73 I108 | L67-T69 HydrophobicContact CD2-CG2 3.84Å; L67-T69 HydrophobicContact CG-CG2 4.42Å; T69-A71 PolarHBondContact O-N 3.02Å; T69-A71 VanDerWaalsContact O-N 3.1Å; T69-V72 PolarHBondContact O-N 2.94Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.43Å; T69-V72 PolarHBondContact OG1-N 3.28Å; T69-V73 WeakPolarHBondContact O-CG2 3.27Å; T69-V73 PolarHBondContact O-N 3.47Å; T69-V73 VanDerWaalsContact O-N 3.12Å; T69-I108 HydrophobicContact CG2-CG1 4.37Å | ||
| 70 | P | 93.3 | Very high | 91.5 | Very high | 20 Ų | 20 | 67.3 Ų | 67.3 | 13% | 0.13 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.9 | -30 | 178.5 | -26.4 | 34 | 0 | 0 | 0 | 114.1 | S74 A84 R85 L88 V107 | P70-S74 WeakPolarHBondContact O-CB 3.37Å; P70-S74 PolarHBondContact O-N 3.04Å; P70-S74 VanDerWaalsContact O-N 3.1Å; P70-S74 PolarHBondContact O-OG 3.05Å; P70-A84 HydrophobicContact CB-CB 4.39Å; P70-R85 HydrophobicContact CB-CG 3.94Å; P70-R85 HydrophobicContact CG-CG 3.82Å; P70-L88 HydrophobicContact CG-CD1 4.01Å; P70-V107 WeakPolarHBondContact CD-O 3.41Å |
| 71 | A | 93.1 | Very high | 91.7 | Very high | 64 Ų | 64 | 60.9 Ų | 60.9 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.2 | -53.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T69 V73 S74 E75 | T69-A71 PolarHBondContact O-N 3.02Å; T69-A71 VanDerWaalsContact O-N 3.1Å; A71-V73 VanDerWaalsContact C-N 3.3Å; A71-V73 PolarHBondContact O-N 3.07Å; A71-S74 PolarHBondContact O-N 3.36Å; A71-S74 VanDerWaalsContact O-N 3.13Å; A71-S74 PolarHBondContact O-OG 3.42Å; A71-E75 PolarHBondContact O-N 3.21Å |
| 72 | V | 93.1 | Very high | 91.8 | Very high | 36 Ų | 36 | 60.8 Ų | 60.8 | 22% | 0.218 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 179.3 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L67 T69 E75 R76 | L67-V72 HydrophobicContact CD2-CG2 4.02Å; T69-V72 PolarHBondContact O-N 2.94Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.43Å; T69-V72 PolarHBondContact OG1-N 3.28Å; V72-E75 PolarHBondContact O-N 3.44Å; V72-R76 HydrophobicContact CG1-CG 4.35Å; V72-R76 VanDerWaalsContact O-CG 3.31Å; V72-R76 WeakPolarHBondContact O-CG 3.43Å; V72-R76 PolarHBondContact O-N 2.94Å |
| 73 | V | 91.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | L58 V62 I68 T69 A71 E75 L77 I79 A84 L88 | L58-V73 HydrophobicContact CD1-CG1 4.42Å; V62-V73 HydrophobicContact CG2-CG2 4.33Å; I68-V73 HydrophobicContact CG2-CG2 4.42Å; T69-V73 WeakPolarHBondContact O-CG2 3.27Å; T69-V73 PolarHBondContact O-N 3.47Å; T69-V73 VanDerWaalsContact O-N 3.12Å; A71-V73 VanDerWaalsContact C-N 3.3Å; A71-V73 PolarHBondContact O-N 3.07Å; V73-E75 VanDerWaalsContact C-N 3.32Å; V73-E75 PolarHBondContact O-N 3.19Å; V73-L77 HydrophobicContact CG1-CD1 3.96Å; V73-L77 PolarHBondContact O-N 3.44Å; V73-I79 HydrophobicContact CG1-CD1 3.87Å; V73-I79 HydrophobicContact CG1-CG1 4.39Å; V73-A84 HydrophobicContact CB-CB 4.07Å; V73-A84 HydrophobicContact CG1-CB 3.88Å; V73-L88 HydrophobicContact CG2-CD1 4.23Å; V73-L88 HydrophobicContact CG2-CD2 4.26Å; V73-L88 HydrophobicContact CG2-CG 4.48Å |
| 74 | S | 92.1 | Very high | 92.1 | Very high | 27 Ų | 27 | 61 Ų | 61 | 19% | 0.189 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -31.8 | 177.1 | 70.4 | 0 | 0 | 0 | 0 | 113.6 | P70 A71 K78 I79 | P70-S74 WeakPolarHBondContact O-CB 3.37Å; P70-S74 PolarHBondContact O-N 3.04Å; P70-S74 VanDerWaalsContact O-N 3.1Å; P70-S74 PolarHBondContact O-OG 3.05Å; A71-S74 PolarHBondContact O-N 3.36Å; A71-S74 VanDerWaalsContact O-N 3.13Å; A71-S74 PolarHBondContact O-OG 3.42Å; S74-K78 WeakPolarHBondContact O-CA 3.4Å; S74-K78 PolarHBondContact O-N 2.87Å; S74-I79 WeakPolarHBondContact CA-O 3.47Å; S74-I79 WeakPolarHBondContact CB-O 3.46Å |
| 75 | E | 91.1 | Very high | 92.3 | Very high | 119 Ų | 119 | 62.9 Ų | 62.9 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -74 | -42.8 | 178.7 | -177.6 | 175.4 | -161.7 | 0 | 0 | 112.4 | A71 V72 V73 K78 | A71-E75 PolarHBondContact O-N 3.21Å; V72-E75 PolarHBondContact O-N 3.44Å; V73-E75 VanDerWaalsContact C-N 3.32Å; V73-E75 PolarHBondContact O-N 3.19Å; E75-K78 WeakPolarHBondContact O-CD 3.4Å; E75-K78 WeakPolarHBondContact O-CE 3.49Å; E75-K78 PolarHBondContact O-NZ 2.96Å |
| 76 | R | 90.1 | Very high | 92.4 | Very high | 155 Ų | 155 | 62.5 Ų | 62.5 | 59% | 0.585 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -73 | -57 | -179 | -66.1 | -73.2 | -175.9 | -125.9 | -3.3 | 112 | V72 K78 | V72-R76 HydrophobicContact CG1-CG 4.35Å; V72-R76 VanDerWaalsContact O-CG 3.31Å; V72-R76 WeakPolarHBondContact O-CG 3.43Å; V72-R76 PolarHBondContact O-N 2.94Å; R76-K78 VanDerWaalsContact C-N 3.34Å; R76-K78 PolarHBondContact O-N 3.29Å |
| 77 | L | 89.8 | Confident | 92.5 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -86.3 | -2.7 | -172.3 | -63.2 | 174.2 | 0 | 0 | 0 | 113.8 | K57 L58 V62 V73 I79 | K57-L77 HydrophobicContact CB-CD2 3.93Å; L58-L77 HydrophobicContact CB-CD1 3.81Å; L58-L77 HydrophobicContact CD1-CD1 3.82Å; L58-L77 HydrophobicContact CG-CD1 4.14Å; V62-L77 HydrophobicContact CG2-CD1 4.38Å; V73-L77 HydrophobicContact CG1-CD1 3.96Å; V73-L77 PolarHBondContact O-N 3.44Å; L77-I79 HydrophobicContact CB-CG1 4.28Å; L77-I79 HydrophobicContact CB-CG2 4.17Å; L77-I79 PolarHBondContact O-N 2.97Å |
| 78 | K | 91.5 | Very high | 92.5 | Very high | 112 Ų | 112 | 49.4 Ų | 49.4 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | trans | 54.1 | 29.6 | -175.1 | -52.8 | -55.1 | -177.9 | -159 | 0 | 113.9 | N46 L47 S74 E75 R76 | N46-K78 CarbonylContact C-O 3.55Å; N46-K78 WeakPolarHBondContact CA-O 3.49Å; L47-K78 PolarHBondContact N-O 3.12Å; S74-K78 WeakPolarHBondContact O-CA 3.4Å; S74-K78 PolarHBondContact O-N 2.87Å; E75-K78 WeakPolarHBondContact O-CD 3.4Å; E75-K78 WeakPolarHBondContact O-CE 3.49Å; E75-K78 PolarHBondContact O-NZ 2.96Å; R76-K78 VanDerWaalsContact C-N 3.34Å; R76-K78 PolarHBondContact O-N 3.29Å | ||
| 79 | I | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -93.2 | 154 | 174.4 | 65.3 | 174.2 | 0 | 0 | 0 | 111.5 | F50 L58 V73 S74 L77 L83 A84 | F50-I79 HydrophobicContact CD1-CG2 4.46Å; F50-I79 HydrophobicContact CE1-CD1 3.68Å; F50-I79 HydrophobicContact CE1-CG2 4.07Å; F50-I79 HydrophobicContact CZ-CD1 3.61Å; L58-I79 HydrophobicContact CD1-CD1 4.32Å; V73-I79 HydrophobicContact CG1-CD1 3.87Å; V73-I79 HydrophobicContact CG1-CG1 4.39Å; S74-I79 WeakPolarHBondContact CA-O 3.47Å; S74-I79 WeakPolarHBondContact CB-O 3.46Å; L77-I79 HydrophobicContact CB-CG1 4.28Å; L77-I79 HydrophobicContact CB-CG2 4.17Å; L77-I79 PolarHBondContact O-N 2.97Å; I79-L83 HydrophobicContact CD1-CB 4.36Å; I79-A84 HydrophobicContact CD1-CB 4.04Å; I79-A84 HydrophobicContact CG1-CB 4.28Å |
| 80 | R | 93.9 | Very high | 92.3 | Very high | 136 Ų | 136 | 58 Ų | 58 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | trans | -63.5 | 139.8 | 175.8 | -163.6 | 173.6 | -176.2 | 125.4 | -3.9 | 111.1 | L47 S82 L83 A84 | L47-R80 WeakPolarHBondContact O-CB 3.35Å; L47-R80 PolarHBondContact O-N 3.44Å; R80-S82 PolarHBondContact O-N 3.2Å; R80-L83 WeakPolarHBondContact O-CB 3.4Å; R80-L83 PolarHBondContact O-N 2.99Å; R80-A84 PolarHBondContact O-N 2.94Å; R80-A84 VanDerWaalsContact O-N 3.07Å | ||
| 81 | G | 92.4 | Very high | 92.2 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.6 | -19.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R85 | G81-R85 WeakPolarHBondContact O-CG 3.4Å; G81-R85 PolarHBondContact O-N 3.17Å |
| 82 | S | 92.3 | Very high | 92 | Very high | 71 Ų | 71 | 57.2 Ų | 57.2 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.4 | -45.8 | 170 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | R80 A84 R85 A86 | R80-S82 PolarHBondContact O-N 3.2Å; S82-A84 VanDerWaalsContact C-N 3.34Å; S82-R85 PolarHBondContact O-N 2.8Å; S82-A86 PolarHBondContact O-N 3.29Å |
| 83 | L | 92.3 | Very high | 91.9 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 173.1 | -70.9 | -177.7 | 0 | 0 | 0 | 111.3 | V48 F50 I79 R80 R85 A86 A87 | V48-L83 WeakPolarHBondContact O-CD1 3.13Å; F50-L83 HydrophobicContact CD2-CD1 4.3Å; F50-L83 HydrophobicContact CD2-CD2 4.33Å; F50-L83 HydrophobicContact CE2-CB 3.92Å; F50-L83 HydrophobicContact CE2-CD1 4.27Å; F50-L83 HydrophobicContact CE2-CD2 4.17Å; F50-L83 HydrophobicContact CE2-CG 4.36Å; F50-L83 HydrophobicContact CZ-CB 4.12Å; I79-L83 HydrophobicContact CD1-CB 4.36Å; R80-L83 WeakPolarHBondContact O-CB 3.4Å; R80-L83 PolarHBondContact O-N 2.99Å; L83-R85 PolarHBondContact O-N 2.93Å; L83-A86 PolarHBondContact O-N 2.76Å; L83-A87 WeakPolarHBondContact O-CB 3.48Å; L83-A87 PolarHBondContact O-N 3.06Å |
| 84 | A | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.6 | -35.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P70 V73 I79 R80 S82 L88 | P70-A84 HydrophobicContact CB-CB 4.39Å; V73-A84 HydrophobicContact CB-CB 4.07Å; V73-A84 HydrophobicContact CG1-CB 3.88Å; I79-A84 HydrophobicContact CD1-CB 4.04Å; I79-A84 HydrophobicContact CG1-CB 4.28Å; R80-A84 PolarHBondContact O-N 2.94Å; R80-A84 VanDerWaalsContact O-N 3.07Å; S82-A84 VanDerWaalsContact C-N 3.34Å; A84-L88 WeakPolarHBondContact O-CB 3.39Å; A84-L88 WeakPolarHBondContact O-CD1 3.46Å; A84-L88 WeakPolarHBondContact O-CG 3.48Å; A84-L88 PolarHBondContact O-N 3.1Å; A84-L88 VanDerWaalsContact O-N 3.15Å |
| 85 | R | 92.8 | Very high | 91.5 | Very high | 152 Ų | 152 | 66.5 Ų | 66.5 | 57% | 0.574 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.1 | -48.3 | 174.3 | -73.2 | 171.2 | -178.2 | -178.1 | -2 | 111.9 | P70 G81 S82 L83 L88 Q89 | P70-R85 HydrophobicContact CB-CG 3.94Å; P70-R85 HydrophobicContact CG-CG 3.82Å; G81-R85 WeakPolarHBondContact O-CG 3.4Å; G81-R85 PolarHBondContact O-N 3.17Å; S82-R85 PolarHBondContact O-N 2.8Å; L83-R85 PolarHBondContact O-N 2.93Å; R85-L88 PolarHBondContact O-N 3Å; R85-Q89 WeakPolarHBondContact O-CG 3.38Å; R85-Q89 PolarHBondContact O-N 3.07Å; R85-Q89 VanDerWaalsContact O-N 3.13Å |
| 86 | A | 92.9 | Very high | 91.3 | Very high | 44 Ų | 44 | 64.1 Ų | 64.1 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S82 L83 L88 Q89 E90 | S82-A86 PolarHBondContact O-N 3.29Å; L83-A86 PolarHBondContact O-N 2.76Å; A86-L88 VanDerWaalsContact C-N 3.31Å; A86-L88 PolarHBondContact O-N 3.28Å; A86-Q89 WeakPolarHBondContact O-CA 3.43Å; A86-Q89 WeakPolarHBondContact O-CB 3.3Å; A86-Q89 PolarHBondContact O-N 3.15Å; A86-E90 PolarHBondContact O-N 2.86Å |
| 87 | A | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.4 | -30.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | F50 L58 L83 Q89 E90 L91 | F50-A87 HydrophobicContact CE2-CB 3.98Å; F50-A87 HydrophobicContact CZ-CB 3.63Å; L58-A87 HydrophobicContact CD1-CB 3.59Å; L58-A87 HydrophobicContact CD2-CB 4.16Å; L83-A87 WeakPolarHBondContact O-CB 3.48Å; L83-A87 PolarHBondContact O-N 3.06Å; A87-Q89 VanDerWaalsContact C-N 3.33Å; A87-E90 PolarHBondContact O-N 2.88Å; A87-L91 WeakPolarHBondContact O-CB 3.3Å; A87-L91 VanDerWaalsContact O-CG 3.3Å; A87-L91 WeakPolarHBondContact O-CG 3.21Å; A87-L91 PolarHBondContact O-N 3.26Å |
| 88 | L | 92.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.3 | -29.6 | 171.2 | -72.3 | 171.9 | 0 | 0 | 0 | 112.5 | V62 I68 P70 V73 A84 R85 A86 L91 L92 I97 Y109 | V62-L88 HydrophobicContact CG1-CD2 3.94Å; I68-L88 HydrophobicContact CG2-CD1 4.33Å; I68-L88 HydrophobicContact CG2-CD2 3.28Å; I68-L88 HydrophobicContact CG2-CG 4.46Å; P70-L88 HydrophobicContact CG-CD1 4.01Å; V73-L88 HydrophobicContact CG2-CD1 4.23Å; V73-L88 HydrophobicContact CG2-CD2 4.26Å; V73-L88 HydrophobicContact CG2-CG 4.48Å; A84-L88 WeakPolarHBondContact O-CB 3.39Å; A84-L88 WeakPolarHBondContact O-CD1 3.46Å; A84-L88 WeakPolarHBondContact O-CG 3.48Å; A84-L88 PolarHBondContact O-N 3.1Å; A84-L88 VanDerWaalsContact O-N 3.15Å; R85-L88 PolarHBondContact O-N 3Å; A86-L88 VanDerWaalsContact C-N 3.31Å; A86-L88 PolarHBondContact O-N 3.28Å; L88-L91 HydrophobicContact CD2-CD1 4.38Å; L88-L92 WeakPolarHBondContact O-CB 3.43Å; L88-L92 PolarHBondContact O-N 3.29Å; L88-I97 HydrophobicContact CB-CD1 4.37Å; L88-I97 HydrophobicContact CD2-CD1 3.62Å; L88-Y109 HydrophobicContact CB-CD2 4.35Å; L88-Y109 HydrophobicContact CB-CE2 3.81Å; L88-Y109 HydrophobicContact CD1-CD2 4.14Å; L88-Y109 HydrophobicContact CD1-CE2 4.04Å; L88-Y109 HydrophobicContact CD2-CD2 4.42Å; L88-Y109 HydrophobicContact CG-CE2 4.4Å |
| 89 | Q | 92.4 | Very high | 91.6 | Very high | 117 Ų | 117 | 59.9 Ų | 59.9 | 55% | 0.547 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.7 | -44.5 | 169.9 | -67 | 169.7 | -58 | 0 | 0 | 110.8 | R85 A86 A87 L91 L92 S93 | R85-Q89 WeakPolarHBondContact O-CG 3.38Å; R85-Q89 PolarHBondContact O-N 3.07Å; R85-Q89 VanDerWaalsContact O-N 3.13Å; A86-Q89 WeakPolarHBondContact O-CA 3.43Å; A86-Q89 WeakPolarHBondContact O-CB 3.3Å; A86-Q89 PolarHBondContact O-N 3.15Å; A87-Q89 VanDerWaalsContact C-N 3.33Å; Q89-L91 PolarHBondContact O-N 3.13Å; Q89-L92 WeakPolarHBondContact O-CB 3.17Å; Q89-L92 PolarHBondContact O-N 2.78Å; Q89-S93 PolarHBondContact O-N 3.34Å; Q89-S93 PolarHBondContact O-OG 2.81Å |
| 90 | E | 92 | Very high | 91.5 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 173.1 | -74.7 | -178.5 | -143.9 | 0 | 0 | 112.9 | Y55 A86 A87 L92 S93 K94 | Y55-E90 PolarHBondContact OH-OE2 2.75Å; A86-E90 PolarHBondContact O-N 2.86Å; A87-E90 PolarHBondContact O-N 2.88Å; E90-L92 VanDerWaalsContact C-N 3.29Å; E90-L92 PolarHBondContact O-N 3.43Å; E90-S93 PolarHBondContact O-N 3.19Å; E90-K94 WeakPolarHBondContact O-CB 3.45Å; E90-K94 VanDerWaalsContact O-CG 3.3Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 2.97Å; E90-K94 IonicContact OE2-NZ 3.89Å |
| 91 | L | 90.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66 | -31.8 | 178.7 | -72.8 | 176.2 | 0 | 0 | 0 | 112.4 | L58 V62 A87 L88 Q89 G95 L96 I97 | L58-L91 HydrophobicContact CD2-CD1 3.71Å; L58-L91 HydrophobicContact CD2-CD2 4.11Å; L58-L91 HydrophobicContact CD2-CG 3.96Å; L58-L91 HydrophobicContact CG-CD1 4.26Å; V62-L91 HydrophobicContact CB-CD1 3.84Å; V62-L91 HydrophobicContact CG1-CD1 3.61Å; V62-L91 HydrophobicContact CG2-CD1 4.45Å; A87-L91 WeakPolarHBondContact O-CB 3.3Å; A87-L91 VanDerWaalsContact O-CG 3.3Å; A87-L91 WeakPolarHBondContact O-CG 3.21Å; A87-L91 PolarHBondContact O-N 3.26Å; L88-L91 HydrophobicContact CD2-CD1 4.38Å; Q89-L91 PolarHBondContact O-N 3.13Å; L91-G95 PolarHBondContact O-N 3Å; L91-L96 HydrophobicContact CD2-CB 4.27Å; L91-L96 HydrophobicContact CD2-CD1 3.61Å; L91-L96 PolarHBondContact O-N 3.19Å; L91-I97 HydrophobicContact CB-CD1 3.78Å; L91-I97 HydrophobicContact CB-CG1 3.95Å; L91-I97 HydrophobicContact CB-CG2 4.42Å |
| 92 | L | 90.2 | Very high | 91.4 | Very high | 65 Ų | 65 | 65.9 Ų | 65.9 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.4 | -48.6 | 171.8 | -177.8 | 75.6 | 0 | 0 | 0 | 110.5 | L88 Q89 E90 K94 G95 I97 L99 Y109 | L88-L92 WeakPolarHBondContact O-CB 3.43Å; L88-L92 PolarHBondContact O-N 3.29Å; Q89-L92 WeakPolarHBondContact O-CB 3.17Å; Q89-L92 PolarHBondContact O-N 2.78Å; E90-L92 VanDerWaalsContact C-N 3.29Å; E90-L92 PolarHBondContact O-N 3.43Å; L92-K94 PolarHBondContact O-N 3.12Å; L92-G95 PolarHBondContact O-N 3.27Å; L92-I97 HydrophobicContact CB-CG1 4.36Å; L92-L99 HydrophobicContact CD1-CB 3.97Å; L92-Y109 HydrophobicContact CB-CE1 4.2Å; L92-Y109 HydrophobicContact CD1-CD1 4.27Å; L92-Y109 HydrophobicContact CD1-CE1 4.07Å; L92-Y109 HydrophobicContact CD2-CE1 4.18Å; L92-Y109 HydrophobicContact CG-CE1 4.38Å |
| 93 | S | 89.8 | Confident | 91.4 | Very high | 109 Ų | 109 | 68.1 Ų | 68.1 | 76% | 0.762 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.4 | -29.6 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | Q89 E90 G95 | Q89-S93 PolarHBondContact O-N 3.34Å; Q89-S93 PolarHBondContact O-OG 2.81Å; E90-S93 PolarHBondContact O-N 3.19Å; S93-G95 VanDerWaalsContact C-N 3.31Å |
| 94 | K | 88.9 | Confident | 91.2 | Very high | 110 Ų | 110 | 78.1 Ų | 78.1 | 48% | 0.478 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -1.9 | 172.9 | -69.1 | 171.7 | -177 | 177.2 | 0 | 114 | Y55 E90 L92 L96 | Y55-K94 PolarHBondContact OH-NZ 3.02Å; E90-K94 WeakPolarHBondContact O-CB 3.45Å; E90-K94 VanDerWaalsContact O-CG 3.3Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 2.97Å; E90-K94 IonicContact OE2-NZ 3.89Å; L92-K94 PolarHBondContact O-N 3.12Å; K94-L96 HydrophobicContact CB-CD1 4.18Å; K94-L96 HydrophobicContact CB-CG 4.2Å; K94-L96 PolarHBondContact O-N 3.18Å |
| 95 | G | 87.3 | Confident | 90.9 | Very high | 39 Ų | 39 | 81.8 Ų | 81.8 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 12.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L91 L92 S93 N112 | L91-G95 PolarHBondContact O-N 3Å; L92-G95 PolarHBondContact O-N 3.27Å; S93-G95 VanDerWaalsContact C-N 3.31Å; G95-N112 PolarHBondContact O-ND2 2.73Å |
| 96 | L | 87.6 | Confident | 90.7 | Very high | 70 Ų | 70 | 79.9 Ų | 79.9 | 37% | 0.366 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -80 | -20.8 | -176.9 | -68.5 | 172.2 | 0 | 0 | 0 | 113.1 | P63 L91 K94 | P63-L96 HydrophobicContact CG-CB 4.11Å; L91-L96 HydrophobicContact CD2-CB 4.27Å; L91-L96 HydrophobicContact CD2-CD1 3.61Å; L91-L96 PolarHBondContact O-N 3.19Å; K94-L96 HydrophobicContact CB-CD1 4.18Å; K94-L96 HydrophobicContact CB-CG 4.2Å; K94-L96 PolarHBondContact O-N 3.18Å |
| 97 | I | 91.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 79.6 Ų | 79.6 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 153.2 | 178.2 | 66.6 | 177.1 | 0 | 0 | 0 | 110.2 | V62 I68 L88 L91 L92 Y109 T110 | V62-I97 HydrophobicContact CG1-CG2 4.45Å; I68-I97 HydrophobicContact CD1-CB 4.25Å; I68-I97 HydrophobicContact CD1-CG2 3.61Å; L88-I97 HydrophobicContact CB-CD1 4.37Å; L88-I97 HydrophobicContact CD2-CD1 3.62Å; L91-I97 HydrophobicContact CB-CD1 3.78Å; L91-I97 HydrophobicContact CB-CG1 3.95Å; L91-I97 HydrophobicContact CB-CG2 4.42Å; L92-I97 HydrophobicContact CB-CG1 4.36Å; I97-Y109 HydrophobicContact CD1-CD1 3.66Å; I97-Y109 HydrophobicContact CD1-CD2 4.37Å; I97-Y109 HydrophobicContact CD1-CE1 4.17Å; I97-Y109 HydrophobicContact CD1-CG 3.76Å; I97-Y109 HydrophobicContact CG1-CD1 4.05Å; I97-Y109 HydrophobicContact CG1-CG 4.47Å; I97-T110 WeakPolarHBondContact CA-O 3.44Å; I97-T110 WeakPolarHBondContact CB-O 3.27Å |
| 98 | K | 91.9 | Very high | 90.7 | Very high | 131 Ų | 131 | 81.8 Ų | 81.8 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134.5 | 176.7 | -177.6 | 174.9 | 177.9 | -179 | 0 | 110.7 | Y109 T110 | K98-Y109 CarbonylContact O-C 3.36Å; K98-Y109 WeakPolarHBondContact O-CA 3.46Å; K98-Y109 WeakPolarHBondContact O-CB 3.36Å; K98-T110 PolarHBondContact N-O 3.12Å; K98-T110 PolarHBondContact O-N 2.76Å |
| 99 | L | 92.8 | Very high | 90.8 | Very high | 60 Ų | 60 | 82.4 Ų | 82.4 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 132.6 | 168.8 | -179.3 | 67.5 | 0 | 0 | 0 | 110.5 | L92 K102 V107 Y109 | L92-L99 HydrophobicContact CD1-CB 3.97Å; L99-K102 HydrophobicContact CD1-CB 4.27Å; L99-K102 HydrophobicContact CD2-CB 4.12Å; L99-V107 HydrophobicContact CD1-CG1 3.72Å; L99-Y109 HydrophobicContact CB-CD1 4.14Å; L99-Y109 HydrophobicContact CB-CE1 4.2Å; L99-Y109 HydrophobicContact CD1-CD1 4.03Å; L99-Y109 HydrophobicContact CD1-CE1 3.75Å |
| 100 | V | 91.7 | Very high | 90.9 | Very high | 92 Ų | 92 | 79 Ų | 79 | 56% | 0.558 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -49.1 | 173.7 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | I108 T110 | V100-I108 HydrophobicContact CB-CG2 4.37Å; V100-I108 HydrophobicContact CG2-CG2 4.48Å; V100-I108 PolarHBondContact N-O 2.78Å; V100-T110 HydrophobicContact CG2-CG2 3.49Å; V100-T110 VanDerWaalsContact CG2-CG2 3.49Å |
| 101 | S | 91.3 | Very high | 90.8 | Very high | 59 Ų | 59 | 80.8 Ų | 80.8 | 41% | 0.413 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 132.8 | -175 | -174 | 0 | 0 | 0 | 0 | 110.1 | I108 | S101-I108 PolarHBondContact N-O 3.04Å; S101-I108 PolarHBondContact O-N 3.29Å |
| 102 | K | 92.3 | Very high | 90.6 | Very high | 139 Ų | 139 | 84.1 Ų | 84.1 | 60% | 0.604 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 100 | -179.5 | 176.4 | -173.7 | 166.7 | -165.3 | 0 | 107.3 | L99 A125 | L99-K102 HydrophobicContact CD1-CB 4.27Å; L99-K102 HydrophobicContact CD2-CB 4.12Å; K102-A125 PolarHBondContact NZ-O 3.25Å |
| 103 | H | 93.4 | Very high | 90 | Very high | 118 Ų | 118 | 86.6 Ų | 86.6 | 55% | 0.546 | 45% | 0.451 | S | S | . | . | trans | -119.1 | 150.7 | 171.4 | 176.1 | -115.9 | 0 | 0 | 0 | 109.8 | A105 Q106 | H103-A105 PolarHBondContact ND1-N 3.35Å; H103-A105 PolarHBondContact O-N 2.84Å; H103-A105 VanDerWaalsContact O-N 3.1Å; H103-Q106 CarbonylContact C-O 3.48Å; H103-Q106 WeakPolarHBondContact CA-O 3.38Å; H103-Q106 WeakPolarHBondContact CB-O 3.47Å; H103-Q106 PolarHBondContact N-O 3Å; H103-Q106 CarbonylContact O-C 3.43Å; H103-Q106 PolarHBondContact O-N 3.02Å | ||
| 104 | R | 88.1 | Confident | 88.9 | Confident | 247 Ų | 247 | 89 Ų | 89 | 93% | 0.932 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -52.2 | -37 | -178.8 | 177.3 | 177.1 | 173.3 | -105.8 | 0.6 | 113.3 | ||
| 105 | A | 86.1 | Confident | 87.2 | Confident | 78 Ų | 78 | 87.2 Ų | 87.2 | 65% | 0.645 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -87 | -26.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H103 | H103-A105 PolarHBondContact ND1-N 3.35Å; H103-A105 PolarHBondContact O-N 2.84Å; H103-A105 VanDerWaalsContact O-N 3.1Å |
| 106 | Q | 88.4 | Confident | 85.7 | Confident | 112 Ų | 112 | 89.5 Ų | 89.5 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | trans | -150.8 | 130.9 | -170.5 | -174.5 | 171.3 | -8.7 | 0 | 0 | 111.1 | H103 I108 | H103-Q106 CarbonylContact C-O 3.48Å; H103-Q106 WeakPolarHBondContact CA-O 3.38Å; H103-Q106 WeakPolarHBondContact CB-O 3.47Å; H103-Q106 PolarHBondContact N-O 3Å; H103-Q106 CarbonylContact O-C 3.43Å; H103-Q106 PolarHBondContact O-N 3.02Å; Q106-I108 HydrophobicContact CG-CD1 4.32Å; Q106-I108 HydrophobicContact CG-CG1 3.93Å | ||
| 107 | V | 92.6 | Very high | 83.8 | Confident | 38 Ų | 38 | 92.9 Ų | 92.9 | 23% | 0.23 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130 | 174.3 | -167.5 | 0 | 0 | 0 | 0 | 107.8 | P70 L99 Y109 | P70-V107 WeakPolarHBondContact CD-O 3.41Å; L99-V107 HydrophobicContact CD1-CG1 3.72Å; V107-Y109 HydrophobicContact CB-CE2 4.15Å; V107-Y109 HydrophobicContact CG1-CD2 4.23Å; V107-Y109 HydrophobicContact CG1-CE1 4.48Å; V107-Y109 HydrophobicContact CG1-CE2 3.44Å; V107-Y109 VanDerWaalsContact CG1-CE2 3.44Å |
| 108 | I | 93.9 | Very high | 81.6 | Confident | 47 Ų | 47 | 96.4 Ų | 96.4 | 24% | 0.241 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 127.3 | -173.4 | -52.2 | 178.8 | 0 | 0 | 0 | 109.2 | T69 V100 S101 Q106 | T69-I108 HydrophobicContact CG2-CG1 4.37Å; V100-I108 HydrophobicContact CB-CG2 4.37Å; V100-I108 HydrophobicContact CG2-CG2 4.48Å; V100-I108 PolarHBondContact N-O 2.78Å; S101-I108 PolarHBondContact N-O 3.04Å; S101-I108 PolarHBondContact O-N 3.29Å; Q106-I108 HydrophobicContact CG-CD1 4.32Å; Q106-I108 HydrophobicContact CG-CG1 3.93Å |
| 109 | Y | 94.3 | Very high | 80.2 | Confident | 16 Ų | 16 | 96.5 Ų | 96.5 | 6% | 0.063 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 160.5 | 175.4 | -54.5 | -96.2 | 0 | 0 | 0 | 110.4 | I68 L88 L92 I97 K98 L99 V107 | I68-Y109 WeakPolarHBondContact CB-O 3.43Å; I68-Y109 PolarHBondContact N-O 3.12Å; I68-Y109 PolarHBondContact O-N 2.95Å; L88-Y109 HydrophobicContact CB-CD2 4.35Å; L88-Y109 HydrophobicContact CB-CE2 3.81Å; L88-Y109 HydrophobicContact CD1-CD2 4.14Å; L88-Y109 HydrophobicContact CD1-CE2 4.04Å; L88-Y109 HydrophobicContact CD2-CD2 4.42Å; L88-Y109 HydrophobicContact CG-CE2 4.4Å; L92-Y109 HydrophobicContact CB-CE1 4.2Å; L92-Y109 HydrophobicContact CD1-CD1 4.27Å; L92-Y109 HydrophobicContact CD1-CE1 4.07Å; L92-Y109 HydrophobicContact CD2-CE1 4.18Å; L92-Y109 HydrophobicContact CG-CE1 4.38Å; I97-Y109 HydrophobicContact CD1-CD1 3.66Å; I97-Y109 HydrophobicContact CD1-CD2 4.37Å; I97-Y109 HydrophobicContact CD1-CE1 4.17Å; I97-Y109 HydrophobicContact CD1-CG 3.76Å; I97-Y109 HydrophobicContact CG1-CD1 4.05Å; I97-Y109 HydrophobicContact CG1-CG 4.47Å; K98-Y109 CarbonylContact O-C 3.36Å; K98-Y109 WeakPolarHBondContact O-CA 3.46Å; K98-Y109 WeakPolarHBondContact O-CB 3.36Å; L99-Y109 HydrophobicContact CB-CD1 4.14Å; L99-Y109 HydrophobicContact CB-CE1 4.2Å; L99-Y109 HydrophobicContact CD1-CD1 4.03Å; L99-Y109 HydrophobicContact CD1-CE1 3.75Å; V107-Y109 HydrophobicContact CB-CE2 4.15Å; V107-Y109 HydrophobicContact CG1-CD2 4.23Å; V107-Y109 HydrophobicContact CG1-CE1 4.48Å; V107-Y109 HydrophobicContact CG1-CE2 3.44Å; V107-Y109 VanDerWaalsContact CG1-CE2 3.44Å |
| 110 | T | 93.8 | Very high | 78 | Confident | 45 Ų | 45 | 98.4 Ų | 98.4 | 28% | 0.276 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.9 | 164.2 | 163.8 | 71.4 | 0 | 0 | 0 | 0 | 111 | I97 K98 V100 | I97-T110 WeakPolarHBondContact CA-O 3.44Å; I97-T110 WeakPolarHBondContact CB-O 3.27Å; K98-T110 PolarHBondContact N-O 3.12Å; K98-T110 PolarHBondContact O-N 2.76Å; V100-T110 HydrophobicContact CG2-CG2 3.49Å; V100-T110 VanDerWaalsContact CG2-CG2 3.49Å |
| 111 | R | 91.4 | Very high | 76.1 | Confident | 115 Ų | 115 | 99 Ų | 99 | 43% | 0.434 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -47.4 | 145.4 | 157.4 | 66.8 | -177 | -168.1 | -180 | 7 | 111.8 | P63 Y65 T113 | P63-R111 WeakPolarHBondContact O-CB 3.32Å; Y65-R111 PolarHBondContact O-N 3.3Å; R111-T113 HydrophobicContact CG-CG2 4.32Å |
| 112 | N | 85.8 | Confident | 73.8 | Confident | 72 Ų | 72 | 100 Ų | 100 | 39% | 0.385 | 61% | 0.605 | S | S | . | * | trans | -79.9 | 122.1 | 170.7 | -140.4 | 19.8 | 0 | 0 | 0 | 109.2 | G95 | G95-N112 PolarHBondContact O-ND2 2.73Š| ||
| 113 | T | 77.1 | Confident | 71.7 | Confident | 117 Ų | 117 | 102.2 Ų | 102.2 | 72% | 0.718 | 62% | 0.618 | S | S | * | * | trans | -94 | -10.7 | -178.4 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | R111 G115 | R111-T113 HydrophobicContact CG-CG2 4.32Å; T113-G115 PolarHBondContact O-N 3.48Å | ||
| 114 | K | 65.7 | Low | 69.4 | Low | 159 Ų | 159 | 103.8 Ų | 103.8 | 69% | 0.691 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -80.4 | 111.4 | 165.2 | -67.3 | -173.2 | 174.6 | -170.7 | 0 | 107.2 | G116 | K114-G116 PolarHBondContact O-N 3.42Š|
| 115 | G | 55.2 | Low | 67.2 | Low | 73 Ų | 73 | 98.8 Ų | 98.8 | 75% | 0.753 | 64% | 0.642 | S | S | * | * | trans | -69.7 | 117.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T113 D117 | T113-G115 PolarHBondContact O-N 3.48Å; G115-D117 VanDerWaalsContact C-N 3.28Å; G115-D117 PolarHBondContact O-N 3.46Å | ||
| 116 | G | 54.7 | Low | 66.2 | Low | 88 Ų | 88 | 99.9 Ų | 99.9 | 91% | 0.907 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 65.2 | 4.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | K114 | K114-G116 PolarHBondContact O-N 3.42Š|
| 117 | D | 47.1 | Very low | 65.1 | Low | 140 Ų | 140 | 99.2 Ų | 99.2 | 75% | 0.749 | 65% | 0.648 | S | S | * | * | trans | -136.6 | 151.6 | -172 | -138.8 | -63.1 | 0 | 0 | 0 | 115.1 | G115 | G115-D117 VanDerWaalsContact C-N 3.28Å; G115-D117 PolarHBondContact O-N 3.46Å | ||
| 118 | A | 45.4 | Very low | 63.5 | Low | 78 Ų | 78 | 102.6 Ų | 102.6 | 65% | 0.645 | 67% | 0.671 | S | S | * | * | trans | 64.4 | 99 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 119 | P | 63.1 | Low | 61.7 | Low | 134 Ų | 134 | 105.9 Ų | 105.9 | 87% | 0.87 | 70% | 0.697 | S | S | * | * | trans | -78.2 | 139.1 | 154.4 | 33.9 | -31 | 0 | 0 | 0 | 110.3 | ||||
| 120 | A | 47.4 | Very low | 59.7 | Low | 99 Ų | 99 | 111.5 Ų | 111.5 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -153.7 | 140.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 121 | A | 51.4 | Low | 57.4 | Low | 106 Ų | 106 | 115.9 Ų | 115.9 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | trans | -61.8 | 152.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 122 | G | 42 | Very low | 55 | Low | 78 Ų | 78 | 116 Ų | 116 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -158.2 | 78.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 123 | E | 49.3 | Very low | 52.7 | Low | 186 Ų | 186 | 119.4 Ų | 119.4 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -64.8 | 169.4 | -179 | -147.3 | 159 | 97.4 | 0 | 0 | 112 | ||||
| 124 | D | 45.2 | Very low | 50.6 | Low | 152 Ų | 152 | 119.6 Ų | 119.6 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | trans | -45.4 | 141 | -162.5 | -80.6 | -100.5 | 0 | 0 | 0 | 120.2 | ||||
| 125 | A | 40.9 | Very low | 49.2 | Very low | 142 Ų | 142 | 116 Ų | 116 | 100% | 1.174 | 84% | 0.843 | S | S | * | * | trans | -152.1 | 0 | 135.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K102 | K102-A125 PolarHBondContact NZ-O 3.25Š|
Retrieved 125 of 125 residues in 28.5 ms
(Link to these results)