| 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 | 46.8 | Very low | 60.8 | Low | 245 Ų | 245 | 156.4 Ų | 156.4 | 100% | 1.207 | 84% | 0.84 | S | S | * | * | 0 | 115.5 | 0 | -68.4 | 178.7 | 77.1 | 0 | 0 | 107.6 | |||||
| 2 | Q | 56.4 | Low | 60.5 | Low | 201 Ų | 201 | 154.6 Ų | 154.6 | 94% | 0.939 | 83% | 0.83 | S | S | * | * | trans | -93.3 | 121.9 | 174.5 | -74.7 | 175.7 | -18.3 | 0 | 0 | 107.9 | ||||
| 3 | S | 59.5 | Low | 59.9 | Low | 115 Ų | 115 | 151.4 Ų | 151.4 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -78.2 | 122 | -179.9 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | A | 68.9 | Low | 59.2 | Low | 96 Ų | 96 | 149 Ų | 149 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | -89 | 113.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 | F6 | A4-F6 PolarHBondContact O-N 3.47Š| ||
| 5 | M | 67 | Low | 59.2 | Low | 174 Ų | 174 | 146.4 Ų | 146.4 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -65.8 | 115 | 171.2 | -68.8 | -96.5 | -77.1 | 0 | 0 | 108.5 | L7 | M5-L7 PolarHBondContact O-N 3.17Š| ||
| 6 | F | 65.3 | Low | 58.5 | Low | 206 Ų | 206 | 145.3 Ų | 145.3 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -73.2 | 106.1 | 174.1 | -159.5 | -96.8 | 0 | 0 | 0 | 108.2 | A4 A8 | A4-F6 PolarHBondContact O-N 3.47Å; F6-A8 PolarHBondContact O-N 3.22Å; F6-A8 VanDerWaalsContact O-N 3.13Å | ||
| 7 | L | 60.7 | Low | 58.4 | Low | 152 Ų | 152 | 145.6 Ų | 145.6 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | -63.4 | 109.9 | 174.1 | -75.9 | 145.6 | 0 | 0 | 0 | 108.6 | M5 V9 | M5-L7 PolarHBondContact O-N 3.17Å; L7-V9 VanDerWaalsContact C-N 3.35Å; L7-V9 PolarHBondContact O-N 3.02Å | ||
| 8 | A | 63.9 | Low | 58.4 | Low | 88 Ų | 88 | 145.9 Ų | 145.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -67.2 | 97 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108 | F6 Q10 | F6-A8 PolarHBondContact O-N 3.22Å; F6-A8 VanDerWaalsContact O-N 3.13Å; A8-Q10 VanDerWaalsContact C-N 3.25Å; A8-Q10 PolarHBondContact O-N 3.1Å | ||
| 9 | V | 61.3 | Low | 58.4 | Low | 108 Ų | 108 | 144.5 Ų | 144.5 | 66% | 0.655 | 79% | 0.794 | S | S | * | * | trans | -65.9 | 95.2 | 161.5 | 173.2 | 0 | 0 | 0 | 0 | 106.2 | L7 H11 | L7-V9 VanDerWaalsContact C-N 3.35Å; L7-V9 PolarHBondContact O-N 3.02Å; V9-H11 VanDerWaalsContact C-N 3.35Å; V9-H11 PolarHBondContact O-N 2.77Å | ||
| 10 | Q | 58.9 | Low | 58.3 | Low | 162 Ų | 162 | 140.8 Ų | 140.8 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | trans | -63.4 | 100.5 | 162 | -71.4 | -137.8 | 45.5 | 0 | 0 | 107.3 | A8 D12 | A8-Q10 VanDerWaalsContact C-N 3.25Å; A8-Q10 PolarHBondContact O-N 3.1Å; Q10-D12 VanDerWaalsContact C-N 3.28Å; Q10-D12 PolarHBondContact O-N 2.82Å; Q10-D12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | H | 60.5 | Low | 58.2 | Low | 173 Ų | 173 | 137.5 Ų | 137.5 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -75.8 | 89.8 | 161 | -84.4 | -75.6 | 0 | 0 | 0 | 107.5 | V9 | V9-H11 VanDerWaalsContact C-N 3.35Å; V9-H11 PolarHBondContact O-N 2.77Å | ||
| 12 | D | 57.2 | Low | 58.7 | Low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | -63.1 | 141.2 | 167.6 | -101.2 | -56.4 | 0 | 0 | 0 | 111.3 | Q10 | Q10-D12 VanDerWaalsContact C-N 3.28Å; Q10-D12 PolarHBondContact O-N 2.82Å; Q10-D12 VanDerWaalsContact O-N 3.14Å | ||
| 13 | C | 52.5 | Low | 58.8 | Low | 113 Ų | 113 | 123 Ų | 123 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | trans | 65.5 | 107.2 | 162.5 | -109.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 14 | V | 50.3 | Low | 58.8 | Low | 118 Ų | 118 | 123.3 Ų | 123.3 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | cis | -158.4 | 131.9 | 48.3 | -173.2 | 0 | 0 | 0 | 0 | 109 | M16 | V14-M16 PolarHBondContact O-N 3.32Å; V14-M16 VanDerWaalsContact O-N 3.15Å | ||
| 15 | P | 58.6 | Low | 58.5 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | trans | -69.7 | 108.8 | 155.9 | 12.3 | 1.1 | 0 | 0 | 0 | 106 | D17 | P15-D17 PolarHBondContact O-N 3.18Š| ||
| 16 | M | 48.8 | Very low | 58.4 | Low | 128 Ų | 128 | 122.3 Ų | 122.3 | 63% | 0.631 | 70% | 0.701 | S | S | * | * | trans | -61.5 | 93.4 | 169.3 | 179.6 | -171.5 | 55.7 | 0 | 0 | 107.3 | V14 K18 | V14-M16 PolarHBondContact O-N 3.32Å; V14-M16 VanDerWaalsContact O-N 3.15Å; M16-K18 HydrophobicContact CE-CD 3.39Å; M16-K18 VanDerWaalsContact CE-CE 3.5Å; M16-K18 HydrophobicContact CE-CG 3.93Å; M16-K18 VanDerWaalsContact CE-NZ 3.33Å; M16-K18 HydrophobicContact CG-CD 4.32Å; M16-K18 HydrophobicContact CG-CG 3.84Å; M16-K18 PolarHBondContact O-N 2.95Å; M16-K18 HydrophobicContact SD-CD 3.61Å; M16-K18 WeakPolarHBondContact SD-CE 3.3Å; M16-K18 HydrophobicContact SD-CG 3.78Å; M16-K18 PolarHBondContact SD-NZ 3.38Å | ||
| 17 | D | 56.8 | Low | 58.4 | Low | 151 Ų | 151 | 116.2 Ų | 116.2 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | trans | -66.3 | 73.9 | 166.5 | -125.5 | -64.9 | 0 | 0 | 0 | 106.9 | P15 S19 | P15-D17 PolarHBondContact O-N 3.18Å; D17-S19 PolarHBondContact O-N 3Å | ||
| 18 | K | 57.2 | Low | 58.7 | Low | 152 Ų | 152 | 114 Ų | 114 | 66% | 0.661 | 66% | 0.661 | S | S | * | * | trans | -68.9 | 92.7 | 162.5 | -94.1 | 177.4 | 179.8 | 156.4 | 0 | 105 | M16 A20 | M16-K18 HydrophobicContact CE-CD 3.39Å; M16-K18 VanDerWaalsContact CE-CE 3.5Å; M16-K18 HydrophobicContact CE-CG 3.93Å; M16-K18 VanDerWaalsContact CE-NZ 3.33Å; M16-K18 HydrophobicContact CG-CD 4.32Å; M16-K18 HydrophobicContact CG-CG 3.84Å; M16-K18 PolarHBondContact O-N 2.95Å; M16-K18 HydrophobicContact SD-CD 3.61Å; M16-K18 WeakPolarHBondContact SD-CE 3.3Å; M16-K18 HydrophobicContact SD-CG 3.78Å; M16-K18 PolarHBondContact SD-NZ 3.38Å; K18-A20 PolarHBondContact O-N 3.17Å | ||
| 19 | S | 59.7 | Low | 59.3 | Low | 119 Ų | 119 | 116.1 Ų | 116.1 | 83% | 0.832 | 65% | 0.653 | S | S | * | * | trans | -46.4 | 92.5 | 161.4 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | D17 | D17-S19 PolarHBondContact O-N 3Š| ||
| 20 | A | 55.8 | Low | 59.8 | Low | 69 Ų | 69 | 117.2 Ų | 117.2 | 57% | 0.57 | 65% | 0.646 | S | S | * | * | trans | -115.3 | 109.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 103.4 | K18 N22 | K18-A20 PolarHBondContact O-N 3.17Å; A20-N22 PolarHBondContact O-N 2.79Å; A20-N22 PolarHBondContact O-OD1 2.75Å | ||
| 21 | G | 56.4 | Low | 60.5 | Low | 72 Ų | 72 | 114 Ų | 114 | 74% | 0.742 | 63% | 0.631 | S | S | * | * | trans | -49.1 | 98.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G23 | G21-G23 PolarHBondContact O-N 2.78Š| ||
| 22 | N | 56.5 | Low | 61.4 | Low | 108 Ų | 108 | 111 Ų | 111 | 58% | 0.578 | 62% | 0.615 | S | S | * | * | trans | -82.2 | 72 | 175.5 | -74.6 | -23.8 | 0 | 0 | 0 | 107.5 | A20 | A20-N22 PolarHBondContact O-N 2.79Å; A20-N22 PolarHBondContact O-OD1 2.75Å | ||
| 23 | G | 59.6 | Low | 62.6 | Low | 33 Ų | 33 | 110.1 Ų | 110.1 | 34% | 0.34 | 61% | 0.608 | S | S | . | * | trans | -63.3 | 152.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G21 K25 V26 | G21-G23 PolarHBondContact O-N 2.78Å; G23-K25 PolarHBondContact O-N 2.82Å; G23-V26 PolarHBondContact O-N 3.02Å | ||
| 24 | P | 59.9 | Low | 64 | Low | 122 Ų | 122 | 110.3 Ų | 110.3 | 79% | 0.792 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -52.1 | -24.2 | -178.9 | 15.6 | -28.8 | 0 | 0 | 0 | 113.9 | V26 E28 | P24-V26 PolarHBondContact O-N 3.18Å; P24-E28 PolarHBondContact O-N 3.3Å; P24-E28 VanDerWaalsContact O-N 3.14Å |
| 25 | K | 60.7 | Low | 65.6 | Low | 179 Ų | 179 | 111.9 Ų | 111.9 | 78% | 0.778 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.8 | -31.8 | 175.3 | -134.5 | -173.8 | -171.5 | 178.7 | 0 | 114.5 | G23 K29 | G23-K25 PolarHBondContact O-N 2.82Å; K25-K29 PolarHBondContact O-N 3.02Å |
| 26 | V | 64.9 | Low | 67 | Low | 71 Ų | 71 | 111 Ų | 111 | 43% | 0.43 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -78 | -41.9 | -179.7 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | G23 P24 K29 R30 | G23-V26 PolarHBondContact O-N 3.02Å; P24-V26 PolarHBondContact O-N 3.18Å; V26-K29 PolarHBondContact O-N 3.24Å; V26-R30 WeakPolarHBondContact O-CB 3.49Å; V26-R30 PolarHBondContact O-N 3.2Å |
| 27 | E | 66.2 | Low | 69 | Low | 78 Ų | 78 | 111 Ų | 111 | 36% | 0.364 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.7 | -41.6 | 175.7 | -76.8 | -60.8 | 136.1 | 0 | 0 | 111.5 | K29 R30 E31 | E27-K29 PolarHBondContact O-N 3.43Å; E27-R30 WeakPolarHBondContact O-CB 3.38Å; E27-R30 PolarHBondContact O-N 2.88Å; E27-R30 IonicContact OE1-NH1 3.51Å; E27-E31 WeakPolarHBondContact O-CB 3.4Å; E27-E31 PolarHBondContact O-N 3.23Å |
| 28 | E | 66.4 | Low | 70.7 | Confident | 105 Ų | 105 | 108.2 Ų | 108.2 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.8 | -42.3 | 175 | -167.7 | -168.1 | 107 | 0 | 0 | 112.2 | P24 R30 E31 K32 | P24-E28 PolarHBondContact O-N 3.3Å; P24-E28 VanDerWaalsContact O-N 3.14Å; E28-R30 VanDerWaalsContact C-N 3.35Å; E28-E31 PolarHBondContact O-N 2.72Å; E28-K32 HydrophobicContact CG-CD 4.39Å; E28-K32 WeakPolarHBondContact O-CB 3.38Å; E28-K32 VanDerWaalsContact O-CG 3.29Å; E28-K32 WeakPolarHBondContact O-CG 3.27Å; E28-K32 PolarHBondContact O-N 2.98Å; E28-K32 WeakPolarHBondContact OE1-CE 3.17Å; E28-K32 IonicContact OE1-NZ 2.62Å; E28-K32 PolarHBondContact OE1-NZ 2.96Å |
| 29 | K | 76.3 | Confident | 72.4 | Confident | 133 Ų | 133 | 108.1 Ų | 108.1 | 58% | 0.578 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.9 | -41.2 | 175.5 | -177 | 179.6 | 177.4 | -179.2 | 0 | 111.4 | K25 V26 E27 K32 M33 | K25-K29 PolarHBondContact O-N 3.02Å; V26-K29 PolarHBondContact O-N 3.24Å; E27-K29 PolarHBondContact O-N 3.43Å; K29-K32 PolarHBondContact O-N 2.93Å; K29-M33 WeakPolarHBondContact O-CG 3.12Å; K29-M33 PolarHBondContact O-N 3.44Å |
| 30 | R | 71.9 | Confident | 73.9 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 49% | 0.494 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 177.8 | -171.3 | -178.6 | -173.5 | -178.4 | 4 | 111.4 | V26 E27 E28 M33 K34 | V26-R30 WeakPolarHBondContact O-CB 3.49Å; V26-R30 PolarHBondContact O-N 3.2Å; E27-R30 WeakPolarHBondContact O-CB 3.38Å; E27-R30 PolarHBondContact O-N 2.88Å; E27-R30 IonicContact OE1-NH1 3.51Å; E28-R30 VanDerWaalsContact C-N 3.35Å; R30-M33 PolarHBondContact O-N 3.47Å; R30-K34 WeakPolarHBondContact O-CB 3.1Å; R30-K34 VanDerWaalsContact O-CG 3.29Å; R30-K34 WeakPolarHBondContact O-CG 3.17Å; R30-K34 PolarHBondContact O-N 2.84Å |
| 31 | E | 73.8 | Confident | 75.8 | Confident | 95 Ų | 95 | 108.5 Ų | 108.5 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 177.6 | -165.4 | 177.5 | -177.8 | 0 | 0 | 111.6 | E27 E28 M33 K34 R35 | E27-E31 WeakPolarHBondContact O-CB 3.4Å; E27-E31 PolarHBondContact O-N 3.23Å; E28-E31 PolarHBondContact O-N 2.72Å; E31-M33 PolarHBondContact O-N 2.88Å; E31-K34 PolarHBondContact O-N 3.03Å; E31-R35 WeakPolarHBondContact O-CG 3.43Å; E31-R35 PolarHBondContact O-N 2.87Å; E31-R35 IonicContact OE1-CZ 2.66Å; E31-R35 IonicContact OE1-NE 3.63Å; E31-R35 IonicContact OE1-NH2 3.75Å; E31-R35 PolarHBondContact OE1-NH2 3.13Å; E31-R35 IonicContact OE2-NH2 3.48Å |
| 32 | K | 79.6 | Confident | 77.5 | Confident | 109 Ų | 109 | 110.6 Ų | 110.6 | 47% | 0.474 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56.7 | -49.9 | 170.7 | -75 | 169 | 175.4 | 174.3 | 0 | 111 | E28 K29 K34 R35 T36 | E28-K32 HydrophobicContact CG-CD 4.39Å; E28-K32 WeakPolarHBondContact O-CB 3.38Å; E28-K32 VanDerWaalsContact O-CG 3.29Å; E28-K32 WeakPolarHBondContact O-CG 3.27Å; E28-K32 PolarHBondContact O-N 2.98Å; E28-K32 WeakPolarHBondContact OE1-CE 3.17Å; E28-K32 IonicContact OE1-NZ 2.62Å; E28-K32 PolarHBondContact OE1-NZ 2.96Å; K29-K32 PolarHBondContact O-N 2.93Å; K32-K34 PolarHBondContact O-N 3.39Å; K32-R35 PolarHBondContact O-N 2.74Å; K32-T36 PolarHBondContact O-N 3.28Å; K32-T36 PolarHBondContact O-OG1 3.41Å |
| 33 | M | 82.9 | Confident | 79.2 | Confident | 117 Ų | 117 | 109.5 Ų | 109.5 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.6 | -42.4 | 176.6 | -78.5 | 176.7 | 163.6 | 0 | 0 | 112.9 | K29 R30 E31 R35 T36 L37 | K29-M33 WeakPolarHBondContact O-CG 3.12Å; K29-M33 PolarHBondContact O-N 3.44Å; R30-M33 PolarHBondContact O-N 3.47Å; E31-M33 PolarHBondContact O-N 2.88Å; M33-R35 VanDerWaalsContact C-N 3.34Å; M33-R35 PolarHBondContact O-N 3.39Å; M33-T36 PolarHBondContact O-N 2.8Å; M33-L37 WeakPolarHBondContact O-CB 3.3Å; M33-L37 PolarHBondContact O-N 3.03Å |
| 34 | K | 82.1 | Confident | 80.8 | Confident | 116 Ų | 116 | 115.1 Ų | 115.1 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 175 | -75.5 | 172.5 | 177.6 | 176.3 | 0 | 111.2 | R30 E31 K32 L37 L38 | R30-K34 WeakPolarHBondContact O-CB 3.1Å; R30-K34 VanDerWaalsContact O-CG 3.29Å; R30-K34 WeakPolarHBondContact O-CG 3.17Å; R30-K34 PolarHBondContact O-N 2.84Å; E31-K34 PolarHBondContact O-N 3.03Å; K32-K34 PolarHBondContact O-N 3.39Å; K34-L37 PolarHBondContact O-N 2.89Å; K34-L38 WeakPolarHBondContact O-CB 3.18Å; K34-L38 PolarHBondContact O-N 3.24Å |
| 35 | R | 84.5 | Confident | 82.3 | Confident | 151 Ų | 151 | 113.1 Ų | 113.1 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -40.3 | 177 | -70.4 | 176.6 | -169.7 | 158 | 2.5 | 112.2 | E31 K32 M33 L38 K39 | E31-R35 WeakPolarHBondContact O-CG 3.43Å; E31-R35 PolarHBondContact O-N 2.87Å; E31-R35 IonicContact OE1-CZ 2.66Å; E31-R35 IonicContact OE1-NE 3.63Å; E31-R35 IonicContact OE1-NH2 3.75Å; E31-R35 PolarHBondContact OE1-NH2 3.13Å; E31-R35 IonicContact OE2-NH2 3.48Å; K32-R35 PolarHBondContact O-N 2.74Å; M33-R35 VanDerWaalsContact C-N 3.34Å; M33-R35 PolarHBondContact O-N 3.39Å; R35-L38 PolarHBondContact O-N 3.04Å; R35-K39 WeakPolarHBondContact O-CB 3.27Å; R35-K39 PolarHBondContact O-N 2.83Å |
| 36 | T | 86.4 | Confident | 83.8 | Confident | 92 Ų | 92 | 107.1 Ų | 107.1 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.4 | -43.9 | 177.5 | -21.6 | 0 | 0 | 0 | 0 | 111.7 | K32 M33 L38 K39 D40 | K32-T36 PolarHBondContact O-N 3.28Å; K32-T36 PolarHBondContact O-OG1 3.41Å; M33-T36 PolarHBondContact O-N 2.8Å; T36-L38 VanDerWaalsContact C-N 3.32Å; T36-L38 PolarHBondContact O-N 2.83Å; T36-K39 WeakPolarHBondContact O-CB 3.17Å; T36-K39 PolarHBondContact O-N 3.14Å; T36-K39 VanDerWaalsContact O-N 3.14Å; T36-D40 PolarHBondContact O-N 2.68Å |
| 37 | L | 91.4 | Very high | 84.9 | Confident | 128 Ų | 128 | 110.3 Ų | 110.3 | 67% | 0.67 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 176.2 | -163.7 | 75.6 | 0 | 0 | 0 | 110.8 | M33 K34 K39 D40 W41 | M33-L37 WeakPolarHBondContact O-CB 3.3Å; M33-L37 PolarHBondContact O-N 3.03Å; K34-L37 PolarHBondContact O-N 2.89Å; L37-K39 PolarHBondContact O-N 3.15Å; L37-D40 PolarHBondContact O-N 2.87Å; L37-W41 VanDerWaalsContact O-CD1 3.27Å; L37-W41 PolarHBondContact O-N 3.49Å |
| 38 | L | 91.7 | Very high | 85.9 | Confident | 93 Ų | 93 | 113 Ų | 113 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.9 | -22.4 | 176.1 | -163.5 | 78.5 | 0 | 0 | 0 | 112.8 | K34 R35 T36 W41 K42 | K34-L38 WeakPolarHBondContact O-CB 3.18Å; K34-L38 PolarHBondContact O-N 3.24Å; R35-L38 PolarHBondContact O-N 3.04Å; T36-L38 VanDerWaalsContact C-N 3.32Å; T36-L38 PolarHBondContact O-N 2.83Å; L38-W41 VanDerWaalsContact C-NE1 3.3Å; L38-W41 VanDerWaalsContact CA-NE1 3.27Å; L38-W41 HydrophobicContact CD1-CZ2 3.82Å; L38-W41 VanDerWaalsContact CG-NE1 3.32Å; L38-W41 PolarHBondContact O-NE1 2.94Å; L38-K42 WeakPolarHBondContact O-CG 3.42Å |
| 39 | K | 94 | Very high | 86.8 | Confident | 150 Ų | 150 | 113.1 Ų | 113.1 | 65% | 0.652 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -80.5 | -45.1 | 172.4 | -171.9 | 178.1 | 172 | -175.6 | 0 | 110.6 | R35 T36 L37 K42 T43 | R35-K39 WeakPolarHBondContact O-CB 3.27Å; R35-K39 PolarHBondContact O-N 2.83Å; T36-K39 WeakPolarHBondContact O-CB 3.17Å; T36-K39 PolarHBondContact O-N 3.14Å; T36-K39 VanDerWaalsContact O-N 3.14Å; L37-K39 PolarHBondContact O-N 3.15Å; K39-K42 PolarHBondContact O-N 3.24Å; K39-T43 PolarHBondContact O-N 2.95Å; K39-T43 PolarHBondContact O-OG1 3.34Å |
| 40 | D | 91.8 | Very high | 87.3 | Confident | 67 Ų | 67 | 113.4 Ų | 113.4 | 36% | 0.358 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | -177.6 | -169.8 | 55.7 | 0 | 0 | 0 | 112.4 | T36 L37 K42 T43 R44 | T36-D40 PolarHBondContact O-N 2.68Å; L37-D40 PolarHBondContact O-N 2.87Å; D40-K42 VanDerWaalsContact C-N 3.34Å; D40-K42 PolarHBondContact O-N 3.36Å; D40-T43 PolarHBondContact O-N 3.45Å; D40-R44 WeakPolarHBondContact O-CG 3.42Å; D40-R44 PolarHBondContact O-N 3.48Å; D40-R44 IonicContact OD1-NE 3.57Å; D40-R44 IonicContact OD1-NH2 3.94Å; D40-R44 IonicContact OD2-CZ 3.07Å; D40-R44 IonicContact OD2-NE 2.83Å; D40-R44 PolarHBondContact OD2-NE 2.74Å; D40-R44 IonicContact OD2-NH2 2.83Å; D40-R44 PolarHBondContact OD2-NH2 2.75Å |
| 41 | W | 94.1 | Very high | 87.3 | Confident | 129 Ų | 129 | 111.1 Ų | 111.1 | 49% | 0.489 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 176.7 | 83.1 | -61.5 | 0 | 0 | 0 | 112.4 | L37 L38 R44 L45 | L37-W41 VanDerWaalsContact O-CD1 3.27Å; L37-W41 PolarHBondContact O-N 3.49Å; L38-W41 VanDerWaalsContact C-NE1 3.3Å; L38-W41 VanDerWaalsContact CA-NE1 3.27Å; L38-W41 HydrophobicContact CD1-CZ2 3.82Å; L38-W41 VanDerWaalsContact CG-NE1 3.32Å; L38-W41 PolarHBondContact O-NE1 2.94Å; W41-R44 PolarHBondContact O-N 2.94Å; W41-L45 HydrophobicContact CE3-CD2 4.39Å; W41-L45 HydrophobicContact CZ3-CD2 4.09Å; W41-L45 WeakPolarHBondContact O-CB 3.49Å; W41-L45 PolarHBondContact O-N 3.29Å |
| 42 | K | 93.3 | Very high | 86.9 | Confident | 116 Ų | 116 | 111 Ų | 111 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176 | -83.1 | 179.6 | -179.5 | -175.9 | 0 | 111 | L38 K39 D40 S46 | L38-K42 WeakPolarHBondContact O-CG 3.42Å; K39-K42 PolarHBondContact O-N 3.24Å; D40-K42 VanDerWaalsContact C-N 3.34Å; D40-K42 PolarHBondContact O-N 3.36Å; K42-S46 VanDerWaalsContact O-CB 3.27Å; K42-S46 WeakPolarHBondContact O-CB 3.47Å; K42-S46 PolarHBondContact O-N 3.3Å; K42-S46 PolarHBondContact O-OG 3.47Å |
| 43 | T | 91.2 | Very high | 86.1 | Confident | 85 Ų | 85 | 110.2 Ų | 110.2 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 177.3 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | K39 D40 S46 Y47 | K39-T43 PolarHBondContact O-N 2.95Å; K39-T43 PolarHBondContact O-OG1 3.34Å; D40-T43 PolarHBondContact O-N 3.45Å; T43-S46 PolarHBondContact O-N 2.99Å; T43-Y47 WeakPolarHBondContact O-CB 3.48Å; T43-Y47 PolarHBondContact O-N 2.93Å |
| 44 | R | 93.1 | Very high | 84.9 | Confident | 150 Ų | 150 | 106.6 Ų | 106.6 | 57% | 0.566 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 176.3 | -70 | -179.4 | -168.5 | -159.2 | 6.5 | 111.7 | D40 W41 Y47 F48 | D40-R44 WeakPolarHBondContact O-CG 3.42Å; D40-R44 PolarHBondContact O-N 3.48Å; D40-R44 IonicContact OD1-NE 3.57Å; D40-R44 IonicContact OD1-NH2 3.94Å; D40-R44 IonicContact OD2-CZ 3.07Å; D40-R44 IonicContact OD2-NE 2.83Å; D40-R44 PolarHBondContact OD2-NE 2.74Å; D40-R44 IonicContact OD2-NH2 2.83Å; D40-R44 PolarHBondContact OD2-NH2 2.75Å; W41-R44 PolarHBondContact O-N 2.94Å; R44-Y47 WeakPolarHBondContact O-CB 3.49Å; R44-Y47 PolarHBondContact O-N 3.14Å; R44-F48 WeakPolarHBondContact O-CD2 3.32Å; R44-F48 PolarHBondContact O-N 3.17Å |
| 45 | L | 92.3 | Very high | 83.9 | Confident | 80 Ų | 80 | 107.6 Ų | 107.6 | 42% | 0.419 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 177.8 | -177.4 | 61.8 | 0 | 0 | 0 | 111.3 | W41 Y47 F48 L49 | W41-L45 HydrophobicContact CE3-CD2 4.39Å; W41-L45 HydrophobicContact CZ3-CD2 4.09Å; W41-L45 WeakPolarHBondContact O-CB 3.49Å; W41-L45 PolarHBondContact O-N 3.29Å; L45-Y47 VanDerWaalsContact C-N 3.32Å; L45-Y47 PolarHBondContact O-N 2.76Å; L45-F48 PolarHBondContact O-N 3.35Å; L45-L49 HydrophobicContact CD1-CD1 4.29Å; L45-L49 HydrophobicContact CD1-CG 4.26Å; L45-L49 HydrophobicContact CG-CD1 4.02Å; L45-L49 HydrophobicContact CG-CG 4.41Å; L45-L49 WeakPolarHBondContact O-CB 3.21Å; L45-L49 VanDerWaalsContact O-CG 3.27Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 2.87Å |
| 46 | S | 91.1 | Very high | 82.8 | Confident | 54 Ų | 54 | 103.6 Ų | 103.6 | 38% | 0.378 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.7 | -43.3 | 174.7 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | K42 T43 L49 Q50 | K42-S46 VanDerWaalsContact O-CB 3.27Å; K42-S46 WeakPolarHBondContact O-CB 3.47Å; K42-S46 PolarHBondContact O-N 3.3Å; K42-S46 PolarHBondContact O-OG 3.47Å; T43-S46 PolarHBondContact O-N 2.99Å; S46-L49 PolarHBondContact O-N 3.49Å; S46-Q50 VanDerWaalsContact O-CB 3.3Å; S46-Q50 WeakPolarHBondContact O-CB 3.38Å; S46-Q50 WeakPolarHBondContact O-CG 3.41Å; S46-Q50 PolarHBondContact O-N 2.81Å |
| 47 | Y | 89.1 | Confident | 81.5 | Confident | 138 Ų | 138 | 108 Ų | 108 | 54% | 0.541 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.4 | -49.8 | 173.6 | 174.9 | -95.5 | 0 | 0 | 0 | 110.9 | T43 R44 L45 L49 Q50 N51 | T43-Y47 WeakPolarHBondContact O-CB 3.48Å; T43-Y47 PolarHBondContact O-N 2.93Å; R44-Y47 WeakPolarHBondContact O-CB 3.49Å; R44-Y47 PolarHBondContact O-N 3.14Å; L45-Y47 VanDerWaalsContact C-N 3.32Å; L45-Y47 PolarHBondContact O-N 2.76Å; Y47-L49 PolarHBondContact O-N 2.96Å; Y47-Q50 PolarHBondContact O-N 2.94Å; Y47-N51 WeakPolarHBondContact CD2-ND2 3.29Å; Y47-N51 WeakPolarHBondContact CE2-ND2 3.44Å; Y47-N51 WeakPolarHBondContact O-CB 3.4Å; Y47-N51 PolarHBondContact O-N 2.66Å; Y47-N51 PolarHBondContact O-ND2 2.75Å |
| 48 | F | 86.9 | Confident | 80 | Confident | 133 Ų | 133 | 107 Ų | 107 | 58% | 0.583 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.5 | -51.5 | 177.9 | -81.8 | -67.9 | 0 | 0 | 0 | 111.6 | R44 L45 Q50 N51 S52 | R44-F48 WeakPolarHBondContact O-CD2 3.32Å; R44-F48 PolarHBondContact O-N 3.17Å; L45-F48 PolarHBondContact O-N 3.35Å; F48-Q50 VanDerWaalsContact C-N 3.3Å; F48-Q50 PolarHBondContact O-N 3.28Å; F48-N51 PolarHBondContact O-N 3.43Å; F48-S52 VanDerWaalsContact O-CB 3.3Å; F48-S52 WeakPolarHBondContact O-CB 3.4Å; F48-S52 PolarHBondContact O-N 3.34Å; F48-S52 PolarHBondContact O-OG 2.81Å |
| 49 | L | 86.3 | Confident | 78.5 | Confident | 109 Ų | 109 | 112.4 Ų | 112.4 | 57% | 0.571 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.3 | -35.9 | -179.3 | -66.2 | 174.2 | 0 | 0 | 0 | 113.3 | L45 S46 Y47 S53 | L45-L49 HydrophobicContact CD1-CD1 4.29Å; L45-L49 HydrophobicContact CD1-CG 4.26Å; L45-L49 HydrophobicContact CG-CD1 4.02Å; L45-L49 HydrophobicContact CG-CG 4.41Å; L45-L49 WeakPolarHBondContact O-CB 3.21Å; L45-L49 VanDerWaalsContact O-CG 3.27Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 2.87Å; S46-L49 PolarHBondContact O-N 3.49Å; Y47-L49 PolarHBondContact O-N 2.96Å; L49-S53 PolarHBondContact O-OG 3.42Å |
| 50 | Q | 85.2 | Confident | 76.8 | Confident | 139 Ų | 139 | 112.2 Ų | 112.2 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.8 | -28.3 | 178.1 | -71.2 | 172.5 | 34.5 | 0 | 0 | 113.3 | S46 Y47 F48 S53 | S46-Q50 VanDerWaalsContact O-CB 3.3Å; S46-Q50 WeakPolarHBondContact O-CB 3.38Å; S46-Q50 WeakPolarHBondContact O-CG 3.41Å; S46-Q50 PolarHBondContact O-N 2.81Å; Y47-Q50 PolarHBondContact O-N 2.94Å; F48-Q50 VanDerWaalsContact C-N 3.3Å; F48-Q50 PolarHBondContact O-N 3.28Å; Q50-S53 PolarHBondContact O-OG 3.14Å |
| 51 | N | 72.3 | Confident | 75.4 | Confident | 82 Ų | 82 | 111.9 Ų | 111.9 | 44% | 0.439 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -97.1 | -23.8 | -177.1 | -70.4 | -94.6 | 0 | 0 | 0 | 112.8 | Y47 F48 S53 | Y47-N51 WeakPolarHBondContact CD2-ND2 3.29Å; Y47-N51 WeakPolarHBondContact CE2-ND2 3.44Å; Y47-N51 WeakPolarHBondContact O-CB 3.4Å; Y47-N51 PolarHBondContact O-N 2.66Å; Y47-N51 PolarHBondContact O-ND2 2.75Å; F48-N51 PolarHBondContact O-N 3.43Å; N51-S53 VanDerWaalsContact C-N 3.33Å |
| 52 | S | 66.8 | Low | 73.7 | Confident | 94 Ų | 94 | 115.1 Ų | 115.1 | 66% | 0.657 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78.8 | -15.6 | 176.1 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | F48 | F48-S52 VanDerWaalsContact O-CB 3.3Å; F48-S52 WeakPolarHBondContact O-CB 3.4Å; F48-S52 PolarHBondContact O-N 3.34Å; F48-S52 PolarHBondContact O-OG 2.81Å |
| 53 | S | 62.3 | Low | 72.1 | Confident | 91 Ų | 91 | 119.9 Ų | 119.9 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -1 | -179.9 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | L49 Q50 N51 | L49-S53 PolarHBondContact O-OG 3.42Å; Q50-S53 PolarHBondContact O-OG 3.14Å; N51-S53 VanDerWaalsContact C-N 3.33Å |
| 54 | A | 58 | Low | 70.4 | Confident | 41 Ų | 41 | 120.8 Ų | 120.8 | 34% | 0.339 | 66% | 0.657 | S | S | . | * | trans | -141.6 | 114.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G56 | A54-G56 PolarHBondContact O-N 3.2Š| ||
| 55 | P | 59.8 | Low | 68.8 | Low | 137 Ų | 137 | 122.6 Ų | 122.6 | 89% | 0.89 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -67.4 | 116.4 | 159.3 | 28.8 | -27.6 | 0 | 0 | 0 | 107.3 | ||
| 56 | G | 62.5 | Low | 67.3 | Low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 69% | 0.688 | S | S | * | * | trans | 63.4 | 88.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A54 | A54-G56 PolarHBondContact O-N 3.2Š| ||
| 57 | K | 58.7 | Low | 65.8 | Low | 184 Ų | 184 | 131.7 Ų | 131.7 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | trans | -119 | 100.6 | 145 | -66.7 | -171.3 | -174.8 | -173.7 | 0 | 107.5 | K59 | K57-K59 PolarHBondContact O-N 3.42Š| ||
| 58 | P | 59.2 | Low | 64.3 | Low | 109 Ų | 109 | 130.2 Ų | 130.2 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | trans | -54.2 | 128.1 | 169.2 | 20.9 | -28.9 | 0 | 0 | 0 | 107.2 | T60 | P58-T60 VanDerWaalsContact C-N 3.31Å; P58-T60 PolarHBondContact O-N 2.95Å | ||
| 59 | K | 60.2 | Low | 63.1 | Low | 205 Ų | 205 | 131.9 Ų | 131.9 | 89% | 0.891 | 72% | 0.716 | S | S | * | * | trans | -53.5 | 102.3 | 169 | -78.2 | -179 | 176.6 | 169.8 | 0 | 106.5 | K57 G61 | K57-K59 PolarHBondContact O-N 3.42Å; K59-G61 PolarHBondContact O-N 3.49Å | ||
| 60 | T | 58 | Low | 62 | Low | 147 Ų | 147 | 134.1 Ų | 134.1 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | trans | -71.1 | 66.1 | 168.3 | 42.3 | 0 | 0 | 0 | 0 | 107.8 | P58 | P58-T60 VanDerWaalsContact C-N 3.31Å; P58-T60 PolarHBondContact O-N 2.95Å | ||
| 61 | G | 63.2 | Low | 60.5 | Low | 59 Ų | 59 | 140.3 Ų | 140.3 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | trans | -117.7 | 52.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K59 | K59-G61 PolarHBondContact O-N 3.49Š| ||
| 62 | K | 58.9 | Low | 59.9 | Low | 198 Ų | 198 | 143.3 Ų | 143.3 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | 169.2 | 116.9 | 145 | -99.7 | 161.4 | 175.9 | 170.9 | 0 | 107.9 | S64 | K62-S64 PolarHBondContact O-N 2.94Š| ||
| 63 | K | 60.2 | Low | 59.5 | Low | 215 Ų | 215 | 145.8 Ų | 145.8 | 94% | 0.935 | 77% | 0.773 | S | S | * | * | trans | -60.4 | 84.2 | 153.9 | -65.7 | 176.1 | 179.3 | 177.8 | 0 | 106.4 | K65 | K63-K65 VanDerWaalsContact C-N 3.28Å; K63-K65 PolarHBondContact O-N 3.35Å | ||
| 64 | S | 55.5 | Low | 59.4 | Low | 105 Ų | 105 | 148.9 Ų | 148.9 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -65.7 | 101.7 | 160 | -179.3 | 0 | 0 | 0 | 0 | 104.8 | K62 Q66 | K62-S64 PolarHBondContact O-N 2.94Å; S64-Q66 PolarHBondContact O-N 2.9Å | ||
| 65 | K | 59.4 | Low | 59.4 | Low | 188 Ų | 188 | 155.2 Ų | 155.2 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | trans | -47.3 | 112.3 | 171.5 | -175 | 172.2 | -176.8 | 179.5 | 0 | 106.6 | K63 Q67 | K63-K65 VanDerWaalsContact C-N 3.28Å; K63-K65 PolarHBondContact O-N 3.35Å; K65-Q67 VanDerWaalsContact C-N 3.28Å; K65-Q67 PolarHBondContact O-N 3.49Å | ||
| 66 | Q | 60.6 | Low | 59.4 | Low | 177 Ų | 177 | 156.4 Ų | 156.4 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -56.8 | 100.7 | 167.9 | -77.9 | -178.3 | -33.6 | 0 | 0 | 106.4 | S64 T68 | S64-Q66 PolarHBondContact O-N 2.9Å; Q66-T68 PolarHBondContact O-N 3.29Å; Q66-T68 VanDerWaalsContact O-N 3.1Å | ||
| 67 | Q | 59.4 | Low | 59.2 | Low | 147 Ų | 147 | 162.3 Ų | 162.3 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | trans | -79.3 | 86.9 | 164.4 | -170 | 174.4 | 21.8 | 0 | 0 | 105.4 | K65 F69 | K65-Q67 VanDerWaalsContact C-N 3.28Å; K65-Q67 PolarHBondContact O-N 3.49Å; Q67-F69 HydrophobicContact CG-CD2 4.07Å; Q67-F69 HydrophobicContact CG-CE2 3.89Å; Q67-F69 PolarHBondContact O-N 2.87Å | ||
| 68 | T | 57 | Low | 59.3 | Low | 107 Ų | 107 | 160.8 Ų | 160.8 | 66% | 0.656 | 81% | 0.81 | S | S | * | * | trans | -63.2 | 102.3 | 164.2 | -52.2 | 0 | 0 | 0 | 0 | 106.4 | Q66 I70 | Q66-T68 PolarHBondContact O-N 3.29Å; Q66-T68 VanDerWaalsContact O-N 3.1Å; T68-I70 HydrophobicContact CG2-CG1 4.43Å; T68-I70 PolarHBondContact O-N 2.62Å | ||
| 69 | F | 61.6 | Low | 59.3 | Low | 169 Ų | 169 | 164.8 Ų | 164.8 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -69 | 106.6 | 160.9 | -86.6 | -92.2 | 0 | 0 | 0 | 106.5 | Q67 K71 | Q67-F69 HydrophobicContact CG-CD2 4.07Å; Q67-F69 HydrophobicContact CG-CE2 3.89Å; Q67-F69 PolarHBondContact O-N 2.87Å; F69-K71 PolarHBondContact O-N 2.88Å | ||
| 70 | I | 62.4 | Low | 59.2 | Low | 155 Ų | 155 | 161.4 Ų | 161.4 | 80% | 0.795 | 81% | 0.811 | S | S | * | * | trans | -69.3 | 125.2 | 165.6 | -60.8 | 177.6 | 0 | 0 | 0 | 105.8 | T68 | T68-I70 HydrophobicContact CG2-CG1 4.43Å; T68-I70 PolarHBondContact O-N 2.62Å | ||
| 71 | K | 54 | Low | 59.3 | Low | 270 Ų | 270 | 162.7 Ų | 162.7 | 100% | 1.174 | 80% | 0.803 | S | S | * | * | trans | -75.9 | 0 | 175.8 | -179.1 | 177.6 | 176.4 | 174.9 | 0 | 110.5 | F69 | F69-K71 PolarHBondContact O-N 2.88Š|
Retrieved 71 of 71 residues in 28.8 ms
(Link to these results)