| 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 | 57.2 | Low | 58.1 | Low | 249 Ų | 249 | 146.5 Ų | 146.5 | 100% | 1.227 | 80% | 0.796 | S | S | * | * | 0 | 99.7 | 0 | -76 | 166.3 | 164.4 | 0 | 0 | 106.3 | |||||
| 2 | S | 57.5 | Low | 57.8 | Low | 114 Ų | 114 | 146.5 Ų | 146.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -139.6 | 120 | 164.2 | -169 | 0 | 0 | 0 | 0 | 104.1 | N4 | S2-N4 PolarHBondContact O-N 2.75Š| ||
| 3 | D | 60.4 | Low | 57.4 | Low | 145 Ų | 145 | 148.5 Ų | 148.5 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -61.3 | 128.2 | -169.9 | -59.4 | -70.9 | 0 | 0 | 0 | 110.7 | D5 | D3-D5 PolarHBondContact O-N 2.71Š| ||
| 4 | N | 58.9 | Low | 57.2 | Low | 160 Ų | 160 | 150.1 Ų | 150.1 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -74.9 | 99 | 168.9 | -116.1 | 51 | 0 | 0 | 0 | 105.8 | S2 D6 | S2-N4 PolarHBondContact O-N 2.75Å; N4-D6 PolarHBondContact O-N 3.46Å; N4-D6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | D | 61.2 | Low | 56.6 | Low | 148 Ų | 148 | 144.1 Ų | 144.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -63.7 | 110 | 164.4 | -78 | -44.3 | 0 | 0 | 0 | 107.6 | D3 I7 | D3-D5 PolarHBondContact O-N 2.71Å; D5-I7 PolarHBondContact O-N 3.4Å | ||
| 6 | D | 63.1 | Low | 56.4 | Low | 149 Ų | 149 | 143.1 Ų | 143.1 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -54.1 | 102.2 | 165.2 | -108.8 | -23.4 | 0 | 0 | 0 | 107.4 | N4 E8 | N4-D6 PolarHBondContact O-N 3.46Å; N4-D6 VanDerWaalsContact O-N 3.1Å; D6-E8 PolarHBondContact O-N 3.28Å | ||
| 7 | I | 61.2 | Low | 56.3 | Low | 146 Ų | 146 | 146.4 Ų | 146.4 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -67.5 | 97.2 | 158.7 | -93.9 | 162.7 | 0 | 0 | 0 | 104.9 | D5 V9 | D5-I7 PolarHBondContact O-N 3.4Å; I7-V9 HydrophobicContact CG2-CG2 3.84Å; I7-V9 PolarHBondContact O-N 3.31Å | ||
| 8 | E | 60.3 | Low | 56.2 | Low | 176 Ų | 176 | 150.7 Ų | 150.7 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -59.6 | 96.2 | 158.1 | -68.1 | -141.3 | 174.3 | 0 | 0 | 106.2 | D6 D10 | D6-E8 PolarHBondContact O-N 3.28Å; E8-D10 PolarHBondContact O-N 3.25Å | ||
| 9 | V | 57.4 | Low | 56.6 | Low | 105 Ų | 105 | 149.3 Ų | 149.3 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | -62.6 | 92.9 | 158.7 | -175.8 | 0 | 0 | 0 | 0 | 103.7 | I7 S11 | I7-V9 HydrophobicContact CG2-CG2 3.84Å; I7-V9 PolarHBondContact O-N 3.31Å; V9-S11 VanDerWaalsContact CG1-OG 3.26Å; V9-S11 WeakPolarHBondContact CG1-OG 3.46Å; V9-S11 PolarHBondContact O-N 3.34Å | ||
| 10 | D | 51.6 | Low | 57.8 | Low | 144 Ų | 144 | 144.5 Ų | 144.5 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | -62.2 | 78.2 | 156.2 | -153.9 | 16.6 | 0 | 0 | 0 | 104.3 | E8 D12 | E8-D10 PolarHBondContact O-N 3.25Å; D10-D12 PolarHBondContact O-N 2.97Å | ||
| 11 | S | 50.6 | Low | 59.1 | Low | 76 Ų | 76 | 143 Ų | 143 | 53% | 0.531 | 75% | 0.745 | S | S | . | * | trans | -62.1 | 96.5 | 164.8 | -64.7 | 0 | 0 | 0 | 0 | 100.9 | V9 E13 | V9-S11 VanDerWaalsContact CG1-OG 3.26Å; V9-S11 WeakPolarHBondContact CG1-OG 3.46Å; V9-S11 PolarHBondContact O-N 3.34Å; S11-E13 PolarHBondContact O-N 3.32Å | ||
| 12 | D | 54.7 | Low | 60.4 | Low | 146 Ų | 146 | 133.9 Ų | 133.9 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | trans | -48.8 | 85.4 | 146.8 | -89.6 | -37.1 | 0 | 0 | 0 | 104.4 | D10 E14 | D10-D12 PolarHBondContact O-N 2.97Å; D12-E14 PolarHBondContact O-N 3.28Å | ||
| 13 | E | 51.7 | Low | 61.9 | Low | 173 Ų | 173 | 132.3 Ų | 132.3 | 81% | 0.808 | 69% | 0.692 | S | S | * | * | trans | -61.2 | 72.5 | 151.7 | -82.8 | -152.6 | 155.8 | 0 | 0 | 104.2 | S11 S15 | S11-E13 PolarHBondContact O-N 3.32Å; E13-S15 PolarHBondContact O-N 3.01Å | ||
| 14 | E | 55.5 | Low | 63.4 | Low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | trans | -65.4 | 79.6 | 152.2 | -163.9 | 174.6 | -172.5 | 0 | 0 | 104.4 | D12 | D12-E14 PolarHBondContact O-N 3.28Š| ||
| 15 | S | 47.9 | Very low | 65.1 | Low | 61 Ų | 61 | 131.9 Ų | 131.9 | 43% | 0.427 | 67% | 0.672 | S | S | . | * | trans | -33.5 | 133.4 | 170.6 | -169 | 0 | 0 | 0 | 0 | 108.2 | E13 R17 | E13-S15 PolarHBondContact O-N 3.01Å; S15-R17 PolarHBondContact O-N 3.47Å | ||
| 16 | P | 52.8 | Low | 66.8 | Low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 66% | 0.657 | S | S | * | * | trans | -73.1 | 60.7 | 177.6 | 31.9 | -33.4 | 0 | 0 | 0 | 108.9 | Y18 | P16-Y18 VanDerWaalsContact C-N 3.33Å; P16-Y18 PolarHBondContact O-N 3.19Å | ||
| 17 | R | 55.3 | Low | 68.3 | Low | 200 Ų | 200 | 126.2 Ų | 126.2 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | trans | -76.5 | 92.7 | 175.8 | -75.8 | -162.2 | -176.5 | -153.5 | 5.1 | 106.2 | S15 H19 | S15-R17 PolarHBondContact O-N 3.47Å; R17-H19 VanDerWaalsContact C-N 3.35Å; R17-H19 PolarHBondContact O-N 3.13Å | ||
| 18 | Y | 54.9 | Low | 70.1 | Confident | 223 Ų | 223 | 125.1 Ų | 125.1 | 88% | 0.875 | 64% | 0.637 | S | S | * | * | trans | 18.9 | 75.5 | 146.1 | -67.1 | -86.4 | 0 | 0 | 0 | 112.9 | P16 S20 | P16-Y18 VanDerWaalsContact C-N 3.33Å; P16-Y18 PolarHBondContact O-N 3.19Å; Y18-S20 VanDerWaalsContact C-N 3.34Å; Y18-S20 PolarHBondContact O-N 3.37Å | ||
| 19 | H | 64.2 | Low | 71.9 | Confident | 125 Ų | 125 | 121.1 Ų | 121.1 | 58% | 0.579 | 62% | 0.621 | S | S | * | * | trans | -55 | 111.8 | 164.1 | -75.9 | -26 | 0 | 0 | 0 | 105.6 | R17 D23 K24 | R17-H19 VanDerWaalsContact C-N 3.35Å; R17-H19 PolarHBondContact O-N 3.13Å; H19-D23 HydrophobicContact CB-CB 4.03Å; H19-K24 HydrophobicContact CB-CG 4.12Å | ||
| 20 | S | 80.7 | Confident | 73.8 | Confident | 53 Ų | 53 | 118.9 Ų | 118.9 | 37% | 0.371 | 61% | 0.613 | S | S | . | * | trans | -58.1 | 157.3 | -179 | 69 | 0 | 0 | 0 | 0 | 107.5 | Y18 A22 D23 K24 | Y18-S20 VanDerWaalsContact C-N 3.34Å; Y18-S20 PolarHBondContact O-N 3.37Å; S20-A22 PolarHBondContact O-N 3.47Å; S20-A22 WeakPolarHBondContact OG-CB 3.17Å; S20-A22 PolarHBondContact OG-N 3.31Å; S20-D23 WeakPolarHBondContact CB-OD2 3.36Å; S20-D23 PolarHBondContact N-OD2 3.49Å; S20-D23 PolarHBondContact O-N 2.9Å; S20-D23 PolarHBondContact OG-N 3.16Å; S20-D23 VanDerWaalsContact OG-N 3.14Å; S20-D23 PolarHBondContact OG-OD2 3.33Å; S20-K24 PolarHBondContact O-N 3.43Å; S20-K24 VanDerWaalsContact O-N 3.1Å | ||
| 21 | V | 83.4 | Confident | 76 | Confident | 112 Ų | 112 | 116.6 Ų | 116.6 | 68% | 0.679 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -53.5 | -27.6 | 173.1 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | R25 | V21-R25 VanDerWaalsContact O-CB 3.29Å; V21-R25 WeakPolarHBondContact O-CB 3.34Å; V21-R25 PolarHBondContact O-N 2.96Å; V21-R25 VanDerWaalsContact O-N 3.11Å |
| 22 | A | 86.2 | Confident | 78.3 | Confident | 59 Ų | 59 | 115.4 Ų | 115.4 | 49% | 0.488 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.8 | -43.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | S20 R25 A26 | S20-A22 PolarHBondContact O-N 3.47Å; S20-A22 WeakPolarHBondContact OG-CB 3.17Å; S20-A22 PolarHBondContact OG-N 3.31Å; A22-R25 WeakPolarHBondContact O-CB 3.48Å; A22-R25 PolarHBondContact O-N 2.89Å; A22-A26 WeakPolarHBondContact O-CB 3.43Å; A22-A26 PolarHBondContact O-N 3.43Å |
| 23 | D | 88.4 | Confident | 80.4 | Confident | 80 Ų | 80 | 116.4 Ų | 116.4 | 43% | 0.428 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.7 | -43.3 | 178.6 | -58 | -42.5 | 0 | 0 | 0 | 111.6 | H19 S20 R25 A26 H27 | H19-D23 HydrophobicContact CB-CB 4.03Å; S20-D23 WeakPolarHBondContact CB-OD2 3.36Å; S20-D23 PolarHBondContact N-OD2 3.49Å; S20-D23 PolarHBondContact O-N 2.9Å; S20-D23 PolarHBondContact OG-N 3.16Å; S20-D23 VanDerWaalsContact OG-N 3.14Å; S20-D23 PolarHBondContact OG-OD2 3.33Å; D23-R25 VanDerWaalsContact C-N 3.29Å; D23-R25 PolarHBondContact O-N 2.95Å; D23-A26 PolarHBondContact O-N 3.15Å; D23-H27 WeakPolarHBondContact O-CB 3.21Å; D23-H27 PolarHBondContact O-N 3.29Å |
| 24 | K | 91.9 | Very high | 82.6 | Confident | 140 Ų | 140 | 114.4 Ų | 114.4 | 61% | 0.609 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.7 | -40.5 | 174.2 | -67.4 | -176.1 | 179.9 | 179.8 | 0 | 111.6 | H19 S20 H28 | H19-K24 HydrophobicContact CB-CG 4.12Å; S20-K24 PolarHBondContact O-N 3.43Å; S20-K24 VanDerWaalsContact O-N 3.1Å; K24-H28 WeakPolarHBondContact O-CB 3.45Å; K24-H28 PolarHBondContact O-N 2.96Å |
| 25 | R | 93.9 | Very high | 84.7 | Confident | 156 Ų | 156 | 112.9 Ų | 112.9 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.2 | -41.8 | 176.5 | -173.9 | -174.6 | -63 | 159.6 | 0.1 | 111.8 | V21 A22 D23 H28 N29 | V21-R25 VanDerWaalsContact O-CB 3.29Å; V21-R25 WeakPolarHBondContact O-CB 3.34Å; V21-R25 PolarHBondContact O-N 2.96Å; V21-R25 VanDerWaalsContact O-N 3.11Å; A22-R25 WeakPolarHBondContact O-CB 3.48Å; A22-R25 PolarHBondContact O-N 2.89Å; D23-R25 VanDerWaalsContact C-N 3.29Å; D23-R25 PolarHBondContact O-N 2.95Å; R25-H28 PolarHBondContact O-N 3.28Å; R25-N29 WeakPolarHBondContact O-CB 3.36Å; R25-N29 PolarHBondContact O-N 3.1Å; R25-N29 PolarHBondContact O-ND2 2.89Å |
| 26 | A | 96.1 | Very high | 87.1 | Confident | 58 Ų | 58 | 115.9 Ų | 115.9 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -47.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A22 D23 H28 N29 A30 | A22-A26 WeakPolarHBondContact O-CB 3.43Å; A22-A26 PolarHBondContact O-N 3.43Å; D23-A26 PolarHBondContact O-N 3.15Å; A26-H28 PolarHBondContact O-N 3.44Å; A26-N29 PolarHBondContact O-N 3.05Å; A26-A30 PolarHBondContact O-N 3.31Å |
| 27 | H | 96.4 | Very high | 89.3 | Confident | 121 Ų | 121 | 112.7 Ų | 112.7 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.7 | -47.2 | 176.1 | -178.9 | -102.3 | 0 | 0 | 0 | 112 | D23 N29 A30 L31 | D23-H27 WeakPolarHBondContact O-CB 3.21Å; D23-H27 PolarHBondContact O-N 3.29Å; H27-N29 VanDerWaalsContact C-N 3.34Å; H27-N29 PolarHBondContact O-N 3.07Å; H27-A30 WeakPolarHBondContact O-CB 3.41Å; H27-A30 PolarHBondContact O-N 3.14Å; H27-L31 WeakPolarHBondContact CE1-CD1 3.42Å; H27-L31 PolarHBondContact O-N 3.48Å |
| 28 | H | 97.7 | Very high | 91.3 | Very high | 123 Ų | 123 | 108.3 Ų | 108.3 | 57% | 0.569 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58 | -44.5 | 175.1 | 178.8 | -87.6 | 0 | 0 | 0 | 112.3 | K24 R25 A26 A30 L31 E32 | K24-H28 WeakPolarHBondContact O-CB 3.45Å; K24-H28 PolarHBondContact O-N 2.96Å; R25-H28 PolarHBondContact O-N 3.28Å; A26-H28 PolarHBondContact O-N 3.44Å; H28-A30 VanDerWaalsContact C-N 3.31Å; H28-A30 PolarHBondContact O-N 3.1Å; H28-L31 PolarHBondContact O-N 3.2Å; H28-E32 WeakPolarHBondContact O-CB 3.43Å; H28-E32 PolarHBondContact O-N 3.44Å |
| 29 | N | 98.1 | Very high | 93.4 | Very high | 91 Ų | 91 | 100.5 Ų | 100.5 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -35.6 | 177.4 | -73.4 | -14.6 | 0 | 0 | 0 | 112.8 | R25 A26 H27 R33 | R25-N29 WeakPolarHBondContact O-CB 3.36Å; R25-N29 PolarHBondContact O-N 3.1Å; R25-N29 PolarHBondContact O-ND2 2.89Å; A26-N29 PolarHBondContact O-N 3.05Å; H27-N29 VanDerWaalsContact C-N 3.34Å; H27-N29 PolarHBondContact O-N 3.07Å; N29-R33 WeakPolarHBondContact O-CB 3.35Å; N29-R33 PolarHBondContact O-N 2.87Å |
| 30 | A | 97.9 | Very high | 95 | Very high | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.3 | -47.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A26 H27 H28 E32 R33 K34 | A26-A30 PolarHBondContact O-N 3.31Å; H27-A30 WeakPolarHBondContact O-CB 3.41Å; H27-A30 PolarHBondContact O-N 3.14Å; H28-A30 VanDerWaalsContact C-N 3.31Å; H28-A30 PolarHBondContact O-N 3.1Å; A30-E32 PolarHBondContact O-N 3.34Å; A30-R33 PolarHBondContact O-N 2.82Å; A30-K34 PolarHBondContact O-N 3.37Å |
| 31 | L | 98.1 | Very high | 95.9 | Very high | 96 Ų | 96 | 100.4 Ų | 100.4 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 177.1 | -71.6 | -179.6 | 0 | 0 | 0 | 112.3 | H27 H28 R33 K34 R35 | H27-L31 WeakPolarHBondContact CE1-CD1 3.42Å; H27-L31 PolarHBondContact O-N 3.48Å; H28-L31 PolarHBondContact O-N 3.2Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 3.17Å; L31-K34 WeakPolarHBondContact O-CB 3.26Å; L31-K34 PolarHBondContact O-N 3.25Å; L31-R35 PolarHBondContact O-N 3.49Å |
| 32 | E | 98.4 | Very high | 96.6 | Very high | 52 Ų | 52 | 98.9 Ų | 98.9 | 24% | 0.243 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -68.6 | -32.8 | 179.5 | 173.9 | 56.5 | -162.2 | 0 | 0 | 111.8 | H28 A30 R35 R36 | H28-E32 WeakPolarHBondContact O-CB 3.43Å; H28-E32 PolarHBondContact O-N 3.44Å; A30-E32 PolarHBondContact O-N 3.34Å; E32-R35 VanDerWaalsContact CD-NH1 3.28Å; E32-R35 PolarHBondContact O-N 2.97Å; E32-R35 IonicContact OE1-NH1 3.27Å; E32-R35 PolarHBondContact OE1-NH1 3.12Å; E32-R35 WeakPolarHBondContact OE2-CD 3.41Å; E32-R35 IonicContact OE2-CZ 3.82Å; E32-R35 IonicContact OE2-NH1 3.6Å; E32-R35 PolarHBondContact OE2-NH1 3Å; E32-R36 VanDerWaalsContact CG-NH1 3.29Å; E32-R36 WeakPolarHBondContact O-CG 3.46Å; E32-R36 PolarHBondContact O-N 3.5Å; E32-R36 WeakPolarHBondContact OE1-CG 3.44Å; E32-R36 IonicContact OE1-NH1 2.76Å |
| 33 | R | 98.6 | Very high | 97.2 | Very high | 166 Ų | 166 | 98 Ų | 98 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.5 | -49.2 | 170.9 | -173.4 | -179.3 | -62.4 | -149.9 | -0.3 | 110.9 | N29 A30 L31 R35 R36 D37 | N29-R33 WeakPolarHBondContact O-CB 3.35Å; N29-R33 PolarHBondContact O-N 2.87Å; A30-R33 PolarHBondContact O-N 2.82Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 3.17Å; R33-R35 VanDerWaalsContact C-N 3.32Å; R33-R35 PolarHBondContact O-N 3.02Å; R33-R36 PolarHBondContact O-N 3.37Å; R33-R36 VanDerWaalsContact O-N 3.11Å; R33-D37 PolarHBondContact O-N 3.41Å |
| 34 | K | 98.5 | Very high | 97.6 | Very high | 132 Ų | 132 | 98 Ų | 98 | 57% | 0.574 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -56 | -46.4 | 175.5 | -174.9 | 175.6 | -178.6 | 177.6 | 0 | 111.2 | A30 L31 R36 D37 H38 | A30-K34 PolarHBondContact O-N 3.37Å; L31-K34 WeakPolarHBondContact O-CB 3.26Å; L31-K34 PolarHBondContact O-N 3.25Å; K34-R36 PolarHBondContact O-N 3.04Å; K34-D37 PolarHBondContact O-N 2.92Å; K34-H38 PolarHBondContact O-CD2 2.87Å; K34-H38 PolarHBondContact O-N 3.48Å |
| 35 | R | 98.7 | Very high | 97.9 | Very high | 137 Ų | 137 | 94.9 Ų | 94.9 | 52% | 0.517 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.4 | -45.9 | 175 | 177.3 | 178.5 | 159.3 | -86.5 | -5.6 | 112.3 | L31 E32 R33 D37 H38 I39 | L31-R35 PolarHBondContact O-N 3.49Å; E32-R35 VanDerWaalsContact CD-NH1 3.28Å; E32-R35 PolarHBondContact O-N 2.97Å; E32-R35 IonicContact OE1-NH1 3.27Å; E32-R35 PolarHBondContact OE1-NH1 3.12Å; E32-R35 WeakPolarHBondContact OE2-CD 3.41Å; E32-R35 IonicContact OE2-CZ 3.82Å; E32-R35 IonicContact OE2-NH1 3.6Å; E32-R35 PolarHBondContact OE2-NH1 3Å; R33-R35 VanDerWaalsContact C-N 3.32Å; R33-R35 PolarHBondContact O-N 3.02Å; R35-D37 VanDerWaalsContact C-N 3.32Å; R35-D37 PolarHBondContact O-N 2.94Å; R35-H38 PolarHBondContact O-N 3.49Å; R35-I39 HydrophobicContact CG-CD1 4.08Å; R35-I39 WeakPolarHBondContact O-CG1 3.36Å; R35-I39 PolarHBondContact O-N 3.3Å |
| 36 | R | 98.6 | Very high | 98.1 | Very high | 124 Ų | 124 | 90.3 Ų | 90.3 | 47% | 0.468 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 178.9 | -74.1 | -169.8 | -58.9 | -107.4 | -1.9 | 113 | E32 R33 K34 I39 K40 | E32-R36 VanDerWaalsContact CG-NH1 3.29Å; E32-R36 WeakPolarHBondContact O-CG 3.46Å; E32-R36 PolarHBondContact O-N 3.5Å; E32-R36 WeakPolarHBondContact OE1-CG 3.44Å; E32-R36 IonicContact OE1-NH1 2.76Å; R33-R36 PolarHBondContact O-N 3.37Å; R33-R36 VanDerWaalsContact O-N 3.11Å; K34-R36 PolarHBondContact O-N 3.04Å; R36-I39 PolarHBondContact O-N 3Å; R36-K40 WeakPolarHBondContact O-CB 3.3Å; R36-K40 PolarHBondContact O-N 2.96Å |
| 37 | D | 98.7 | Very high | 98.1 | Very high | 60 Ų | 60 | 90.4 Ų | 90.4 | 32% | 0.321 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 175.5 | -69.9 | -34.4 | 0 | 0 | 0 | 110.8 | R33 K34 R35 I39 K40 D41 | R33-D37 PolarHBondContact O-N 3.41Å; K34-D37 PolarHBondContact O-N 2.92Å; R35-D37 VanDerWaalsContact C-N 3.32Å; R35-D37 PolarHBondContact O-N 2.94Å; D37-I39 VanDerWaalsContact C-N 3.34Å; D37-I39 PolarHBondContact O-N 3.2Å; D37-K40 WeakPolarHBondContact O-CA 3.45Å; D37-K40 VanDerWaalsContact O-CB 3.3Å; D37-K40 WeakPolarHBondContact O-CB 3.44Å; D37-K40 PolarHBondContact O-N 2.94Å; D37-K40 VanDerWaalsContact O-N 3.07Å; D37-K40 IonicContact OD1-NZ 3.32Å; D37-K40 PolarHBondContact OD1-NZ 3.34Å; D37-D41 VanDerWaalsContact O-CG 3.3Å; D37-D41 PolarHBondContact O-N 3.14Å |
| 38 | H | 98.7 | Very high | 98.2 | Very high | 109 Ų | 109 | 88.3 Ų | 88.3 | 51% | 0.505 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 173.7 | -71.9 | -140.2 | 0 | 0 | 0 | 112.3 | K34 R35 K40 D41 S42 | K34-H38 PolarHBondContact O-CD2 2.87Å; K34-H38 PolarHBondContact O-N 3.48Å; R35-H38 PolarHBondContact O-N 3.49Å; H38-K40 VanDerWaalsContact C-N 3.31Å; H38-K40 PolarHBondContact O-N 3.49Å; H38-D41 PolarHBondContact O-N 3.43Å; H38-S42 PolarHBondContact O-N 3.46Å; H38-S42 PolarHBondContact O-OG 3.47Å |
| 39 | I | 98.5 | Very high | 98.1 | Very high | 59 Ų | 59 | 86.3 Ų | 86.3 | 30% | 0.303 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 175.5 | -70.5 | 168.9 | 0 | 0 | 0 | 110.6 | R35 R36 D37 D41 S42 F43 | R35-I39 HydrophobicContact CG-CD1 4.08Å; R35-I39 WeakPolarHBondContact O-CG1 3.36Å; R35-I39 PolarHBondContact O-N 3.3Å; R36-I39 PolarHBondContact O-N 3Å; D37-I39 VanDerWaalsContact C-N 3.34Å; D37-I39 PolarHBondContact O-N 3.2Å; I39-D41 VanDerWaalsContact C-N 3.3Å; I39-D41 PolarHBondContact O-N 3.14Å; I39-S42 PolarHBondContact O-N 2.99Å; I39-F43 HydrophobicContact CG2-CD2 3.79Å; I39-F43 HydrophobicContact CG2-CE2 3.88Å; I39-F43 WeakPolarHBondContact O-CD2 3.37Å; I39-F43 PolarHBondContact O-N 2.7Å |
| 40 | K | 98.1 | Very high | 98.1 | Very high | 83 Ų | 83 | 82.2 Ų | 82.2 | 36% | 0.361 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 177.4 | -176 | -164.2 | -63.3 | 153.8 | 0 | 110.4 | R36 D37 H38 F43 H44 | R36-K40 WeakPolarHBondContact O-CB 3.3Å; R36-K40 PolarHBondContact O-N 2.96Å; D37-K40 WeakPolarHBondContact O-CA 3.45Å; D37-K40 VanDerWaalsContact O-CB 3.3Å; D37-K40 WeakPolarHBondContact O-CB 3.44Å; D37-K40 PolarHBondContact O-N 2.94Å; D37-K40 VanDerWaalsContact O-N 3.07Å; D37-K40 IonicContact OD1-NZ 3.32Å; D37-K40 PolarHBondContact OD1-NZ 3.34Å; H38-K40 VanDerWaalsContact C-N 3.31Å; H38-K40 PolarHBondContact O-N 3.49Å; K40-F43 WeakPolarHBondContact O-CB 3.41Å; K40-F43 PolarHBondContact O-N 3.45Å; K40-H44 PolarHBondContact O-N 3.32Å; K40-H44 VanDerWaalsContact O-N 3.11Å; K40-H44 PolarHBondContact O-ND1 3.03Å |
| 41 | D | 98.3 | Very high | 98.1 | Very high | 92 Ų | 92 | 82.5 Ų | 82.5 | 49% | 0.492 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 177.5 | -61.9 | -18.6 | 0 | 0 | 0 | 111.3 | D37 H38 I39 F43 H44 S45 | D37-D41 VanDerWaalsContact O-CG 3.3Å; D37-D41 PolarHBondContact O-N 3.14Å; H38-D41 PolarHBondContact O-N 3.43Å; I39-D41 VanDerWaalsContact C-N 3.3Å; I39-D41 PolarHBondContact O-N 3.14Å; D41-F43 VanDerWaalsContact C-N 3.26Å; D41-F43 PolarHBondContact O-N 2.9Å; D41-H44 WeakPolarHBondContact O-CB 3.49Å; D41-H44 PolarHBondContact O-N 3.04Å; D41-S45 PolarHBondContact O-N 2.96Å; D41-S45 PolarHBondContact O-OG 3.47Å |
| 42 | S | 98.4 | Very high | 98 | Very high | 80 Ų | 80 | 81.1 Ų | 81.1 | 56% | 0.559 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58.1 | -36.9 | 173.7 | -63.9 | 0 | 0 | 0 | 0 | 113 | H38 I39 L46 | H38-S42 PolarHBondContact O-N 3.46Å; H38-S42 PolarHBondContact O-OG 3.47Å; I39-S42 PolarHBondContact O-N 2.99Å; S42-L46 WeakPolarHBondContact O-CB 3.26Å; S42-L46 PolarHBondContact O-N 3.07Å |
| 43 | F | 98.3 | Very high | 97.9 | Very high | 40 Ų | 40 | 79 Ų | 79 | 18% | 0.175 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.4 | -35.9 | 174.1 | -94.6 | -81.5 | 0 | 0 | 0 | 112.8 | I39 K40 D41 R47 R60 I63 L64 | I39-F43 HydrophobicContact CG2-CD2 3.79Å; I39-F43 HydrophobicContact CG2-CE2 3.88Å; I39-F43 WeakPolarHBondContact O-CD2 3.37Å; I39-F43 PolarHBondContact O-N 2.7Å; K40-F43 WeakPolarHBondContact O-CB 3.41Å; K40-F43 PolarHBondContact O-N 3.45Å; D41-F43 VanDerWaalsContact C-N 3.26Å; D41-F43 PolarHBondContact O-N 2.9Å; F43-R47 WeakPolarHBondContact O-CB 3.21Å; F43-R47 PolarHBondContact O-N 3.41Å; F43-R60 HydrophobicContact CD1-CB 4.28Å; F43-R60 HydrophobicContact CD1-CG 3.99Å; F43-R60 HydrophobicContact CD2-CG 4.46Å; F43-R60 HydrophobicContact CE1-CB 3.75Å; F43-R60 HydrophobicContact CE1-CG 3.86Å; F43-R60 HydrophobicContact CE2-CG 4.36Å; F43-R60 HydrophobicContact CG-CG 4.29Å; F43-R60 HydrophobicContact CZ-CB 4.04Å; F43-R60 HydrophobicContact CZ-CG 4.06Å; F43-I63 HydrophobicContact CD1-CB 4.17Å; F43-I63 HydrophobicContact CD1-CD1 3.99Å; F43-I63 HydrophobicContact CD1-CG2 3.95Å; F43-I63 HydrophobicContact CE1-CB 4.42Å; F43-I63 HydrophobicContact CE1-CG2 4.37Å; F43-L64 HydrophobicContact CE1-CD1 4.42Å; F43-L64 HydrophobicContact CE1-CD2 4.02Å; F43-L64 HydrophobicContact CE1-CG 3.98Å; F43-L64 HydrophobicContact CZ-CD1 4.29Å; F43-L64 HydrophobicContact CZ-CD2 4.18Å; F43-L64 HydrophobicContact CZ-CG 4.28Å |
| 44 | H | 97.4 | Very high | 97.5 | Very high | 81 Ų | 81 | 76.6 Ų | 76.6 | 38% | 0.375 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.4 | -48.8 | 173.8 | -71.2 | 96.7 | 0 | 0 | 0 | 110.8 | K40 D41 L46 R47 D48 | K40-H44 PolarHBondContact O-N 3.32Å; K40-H44 VanDerWaalsContact O-N 3.11Å; K40-H44 PolarHBondContact O-ND1 3.03Å; D41-H44 WeakPolarHBondContact O-CB 3.49Å; D41-H44 PolarHBondContact O-N 3.04Å; H44-L46 VanDerWaalsContact C-N 3.29Å; H44-L46 PolarHBondContact O-N 3.28Å; H44-R47 WeakPolarHBondContact O-CB 3.45Å; H44-R47 PolarHBondContact O-N 3.32Å; H44-D48 VanDerWaalsContact O-CG 3.24Å; H44-D48 PolarHBondContact O-N 2.97Å |
| 45 | S | 97.8 | Very high | 97 | Very high | 74 Ų | 74 | 74.4 Ų | 74.4 | 52% | 0.517 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 176.7 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | D41 D48 S49 | D41-S45 PolarHBondContact O-N 2.96Å; D41-S45 PolarHBondContact O-OG 3.47Å; S45-D48 PolarHBondContact O-N 3.38Å; S45-S49 PolarHBondContact O-N 2.92Å; S45-S49 VanDerWaalsContact O-N 3.16Å; S45-S49 PolarHBondContact O-OG 2.87Å |
| 46 | L | 97.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 73.7 Ų | 73.7 | 32% | 0.319 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 175.9 | -180 | 58.4 | 0 | 0 | 0 | 111.6 | S42 H44 D48 S49 V50 I63 L64 A67 | S42-L46 WeakPolarHBondContact O-CB 3.26Å; S42-L46 PolarHBondContact O-N 3.07Å; H44-L46 VanDerWaalsContact C-N 3.29Å; H44-L46 PolarHBondContact O-N 3.28Å; L46-D48 VanDerWaalsContact C-N 3.3Å; L46-D48 PolarHBondContact O-N 3.37Å; L46-S49 WeakPolarHBondContact O-CB 3.45Å; L46-S49 PolarHBondContact O-N 3.24Å; L46-S49 VanDerWaalsContact O-N 3.17Å; L46-V50 WeakPolarHBondContact O-CG2 3.38Å; L46-V50 PolarHBondContact O-N 3.18Å; L46-I63 HydrophobicContact CB-CG2 4.22Å; L46-I63 HydrophobicContact CD2-CG2 3.69Å; L46-I63 HydrophobicContact CG-CG2 3.76Å; L46-L64 HydrophobicContact CD2-CD2 4.28Å; L46-A67 HydrophobicContact CD1-CB 3.92Å; L46-A67 HydrophobicContact CD2-CB 4.25Å; L46-A67 HydrophobicContact CG-CB 4.25Å |
| 47 | R | 97.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 78 Ų | 78 | 23% | 0.226 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -56.1 | -47.1 | 177 | -177 | -161.9 | 63.7 | -164.1 | -4.2 | 111.1 | F43 H44 S49 V50 L53 I63 | F43-R47 WeakPolarHBondContact O-CB 3.21Å; F43-R47 PolarHBondContact O-N 3.41Å; H44-R47 WeakPolarHBondContact O-CB 3.45Å; H44-R47 PolarHBondContact O-N 3.32Å; R47-S49 PolarHBondContact O-N 3.41Å; R47-V50 PolarHBondContact O-N 3.31Å; R47-V50 VanDerWaalsContact O-N 3.1Å; R47-L53 HydrophobicContact CG-CB 3.71Å; R47-L53 HydrophobicContact CG-CD1 4.31Å; R47-I63 HydrophobicContact CB-CD1 4.08Å; R47-I63 HydrophobicContact CB-CG1 4.18Å; R47-I63 HydrophobicContact CG-CD1 4.45Å; R47-I63 HydrophobicContact CG-CG1 4.35Å |
| 48 | D | 96.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 76.3 Ų | 76.3 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.2 | -21.1 | -176 | -62.6 | -10.1 | 0 | 0 | 0 | 112.1 | H44 S45 L46 Q54 | H44-D48 VanDerWaalsContact O-CG 3.24Å; H44-D48 PolarHBondContact O-N 2.97Å; S45-D48 PolarHBondContact O-N 3.38Å; L46-D48 VanDerWaalsContact C-N 3.3Å; L46-D48 PolarHBondContact O-N 3.37Å; D48-Q54 PolarHBondContact O-NE2 2.88Å |
| 49 | S | 96.9 | Very high | 96 | Very high | 82 Ų | 82 | 73.8 Ų | 73.8 | 57% | 0.573 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -82 | -12.2 | 174.9 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | S45 L46 R47 | S45-S49 PolarHBondContact O-N 2.92Å; S45-S49 VanDerWaalsContact O-N 3.16Å; S45-S49 PolarHBondContact O-OG 2.87Å; L46-S49 WeakPolarHBondContact O-CB 3.45Å; L46-S49 PolarHBondContact O-N 3.24Å; L46-S49 VanDerWaalsContact O-N 3.17Å; R47-S49 PolarHBondContact O-N 3.41Å |
| 50 | V | 98 | Very high | 96 | Very high | 5 Ų | 5 | 77.8 Ų | 77.8 | 3% | 0.03 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -103.7 | 109.5 | -179.6 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | L46 R47 A52 L53 Q54 K66 A67 Y70 | L46-V50 WeakPolarHBondContact O-CG2 3.38Å; L46-V50 PolarHBondContact O-N 3.18Å; R47-V50 PolarHBondContact O-N 3.31Å; R47-V50 VanDerWaalsContact O-N 3.1Å; V50-A52 PolarHBondContact O-N 3.01Å; V50-A52 VanDerWaalsContact O-N 3.09Å; V50-L53 HydrophobicContact CB-CB 4.4Å; V50-L53 HydrophobicContact CB-CD1 4.17Å; V50-L53 HydrophobicContact CB-CG 4.33Å; V50-L53 HydrophobicContact CG1-CB 4.47Å; V50-L53 HydrophobicContact CG1-CD1 4.12Å; V50-L53 HydrophobicContact CG1-CG 4.01Å; V50-L53 PolarHBondContact O-N 3.01Å; V50-Q54 PolarHBondContact O-N 3.06Å; V50-K66 HydrophobicContact CG1-CB 4.18Å; V50-A67 HydrophobicContact CG2-CB 3.96Å; V50-Y70 HydrophobicContact CG1-CG 4.45Å; V50-Y70 HydrophobicContact CG2-CD1 4.49Å |
| 51 | P | 97.1 | Very high | 96 | Very high | 64 Ų | 64 | 76.6 Ų | 76.6 | 42% | 0.416 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -54.6 | -36.6 | -172.4 | -29.5 | 35.8 | 0 | 0 | 0 | 114.7 | L53 Q54 Y70 | P51-L53 PolarHBondContact O-N 2.99Å; P51-Q54 PolarHBondContact O-N 2.76Å; P51-Y70 VanDerWaalsContact CD-CZ 3.43Å; P51-Y70 HydrophobicContact CG-CE1 4.35Å; P51-Y70 HydrophobicContact CG-CE2 3.94Å |
| 52 | A | 95.9 | Very high | 96 | Very high | 66 Ų | 66 | 77 Ų | 77 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -70.2 | -9.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V50 | V50-A52 PolarHBondContact O-N 3.01Å; V50-A52 VanDerWaalsContact O-N 3.09Å |
| 53 | L | 96 | Very high | 96 | Very high | 9 Ų | 9 | 73.7 Ų | 73.7 | 5% | 0.047 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -114 | -3.2 | -178.6 | -63.7 | -177.6 | 0 | 0 | 0 | 113.2 | R47 V50 P51 G55 E56 A58 I63 K66 | R47-L53 HydrophobicContact CG-CB 3.71Å; R47-L53 HydrophobicContact CG-CD1 4.31Å; V50-L53 HydrophobicContact CB-CB 4.4Å; V50-L53 HydrophobicContact CB-CD1 4.17Å; V50-L53 HydrophobicContact CB-CG 4.33Å; V50-L53 HydrophobicContact CG1-CB 4.47Å; V50-L53 HydrophobicContact CG1-CD1 4.12Å; V50-L53 HydrophobicContact CG1-CG 4.01Å; V50-L53 PolarHBondContact O-N 3.01Å; P51-L53 PolarHBondContact O-N 2.99Å; L53-G55 PolarHBondContact O-N 3.43Å; L53-E56 PolarHBondContact O-N 3.32Å; L53-A58 HydrophobicContact CD2-CB 3.89Å; L53-I63 HydrophobicContact CD1-CB 4.28Å; L53-I63 HydrophobicContact CD1-CG1 4.03Å; L53-I63 HydrophobicContact CD1-CG2 4.49Å; L53-K66 HydrophobicContact CD1-CB 3.84Å; L53-K66 HydrophobicContact CD1-CG 4.42Å; L53-K66 HydrophobicContact CD2-CB 4.21Å; L53-K66 HydrophobicContact CD2-CG 3.93Å; L53-K66 HydrophobicContact CG-CB 4.01Å; L53-K66 HydrophobicContact CG-CG 4.28Å |
| 54 | Q | 92.1 | Very high | 96 | Very high | 114 Ų | 114 | 75.8 Ų | 75.8 | 53% | 0.533 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 127.7 | -178.5 | -72.5 | 180 | -11.9 | 0 | 0 | 110.3 | D48 V50 P51 E56 | D48-Q54 PolarHBondContact O-NE2 2.88Å; V50-Q54 PolarHBondContact O-N 3.06Å; P51-Q54 PolarHBondContact O-N 2.76Å; Q54-E56 PolarHBondContact O-N 2.84Å |
| 55 | G | 87.3 | Confident | 96.1 | Very high | 86 Ų | 86 | 76.4 Ų | 76.4 | 89% | 0.887 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | -0.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L53 | L53-G55 PolarHBondContact O-N 3.43Š|
| 56 | E | 87.6 | Confident | 96.1 | Very high | 122 Ų | 122 | 76.6 Ų | 76.6 | 57% | 0.57 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -105.2 | 150.4 | -179.6 | -66.3 | -168.9 | -178.9 | 0 | 0 | 113 | L53 Q54 A58 | L53-E56 PolarHBondContact O-N 3.32Å; Q54-E56 PolarHBondContact O-N 2.84Å; E56-A58 PolarHBondContact O-N 3.41Å |
| 57 | K | 93.4 | Very high | 96.1 | Very high | 214 Ų | 214 | 74.1 Ų | 74.1 | 93% | 0.93 | 41% | 0.413 | S | S | * | . | trans | -80.2 | 105.9 | 169.7 | -70.6 | -176.9 | 179.4 | 176.4 | 0 | 108.8 | ||||
| 58 | A | 95.4 | Very high | 96.2 | Very high | 26 Ų | 26 | 75 Ų | 75 | 22% | 0.215 | 43% | 0.425 | C | S | . | . | trans | -114.6 | 138.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L53 E56 Q62 I63 | L53-A58 HydrophobicContact CD2-CB 3.89Å; E56-A58 PolarHBondContact O-N 3.41Å; A58-Q62 HydrophobicContact CB-CB 4.45Å; A58-I63 HydrophobicContact CB-CD1 4.43Å; A58-I63 HydrophobicContact CB-CG1 3.84Å | ||
| 59 | S | 97.7 | Very high | 96.3 | Very high | 56 Ų | 56 | 76 Ų | 76 | 39% | 0.392 | 43% | 0.427 | S | S | . | . | trans | -71.7 | 162.3 | 171.2 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | A61 Q62 I63 | S59-A61 VanDerWaalsContact C-N 3.28Å; S59-A61 PolarHBondContact O-N 3.3Å; S59-Q62 PolarHBondContact O-N 2.87Å; S59-Q62 WeakPolarHBondContact OG-CG 3.45Å; S59-Q62 PolarHBondContact OG-N 3.28Å; S59-Q62 PolarHBondContact OG-OE1 3.19Å; S59-I63 WeakPolarHBondContact O-CG1 3.49Å; S59-I63 PolarHBondContact O-N 3.47Å | ||
| 60 | R | 97.9 | Very high | 96.4 | Very high | 143 Ų | 143 | 75.8 Ų | 75.8 | 54% | 0.54 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.1 | -40.3 | 177.6 | -71.8 | -172.7 | 176.5 | 92.6 | 0.8 | 112.8 | F43 I63 L64 | F43-R60 HydrophobicContact CD1-CB 4.28Å; F43-R60 HydrophobicContact CD1-CG 3.99Å; F43-R60 HydrophobicContact CD2-CG 4.46Å; F43-R60 HydrophobicContact CE1-CB 3.75Å; F43-R60 HydrophobicContact CE1-CG 3.86Å; F43-R60 HydrophobicContact CE2-CG 4.36Å; F43-R60 HydrophobicContact CG-CG 4.29Å; F43-R60 HydrophobicContact CZ-CB 4.04Å; F43-R60 HydrophobicContact CZ-CG 4.06Å; R60-I63 PolarHBondContact O-N 3.45Å; R60-L64 WeakPolarHBondContact O-CG 3.28Å; R60-L64 PolarHBondContact O-N 2.88Å; R60-L64 VanDerWaalsContact O-N 3.16Å |
| 61 | A | 98.4 | Very high | 96.4 | Very high | 58 Ų | 58 | 79.7 Ų | 79.7 | 48% | 0.479 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.5 | -50.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S59 I63 L64 D65 | S59-A61 VanDerWaalsContact C-N 3.28Å; S59-A61 PolarHBondContact O-N 3.3Å; A61-I63 VanDerWaalsContact C-N 3.29Å; A61-I63 PolarHBondContact O-N 3.1Å; A61-L64 PolarHBondContact O-N 3.15Å; A61-D65 VanDerWaalsContact O-CG 3.29Å; A61-D65 PolarHBondContact O-N 3.49Å |
| 62 | Q | 98.2 | Very high | 96.5 | Very high | 100 Ų | 100 | 81.8 Ų | 81.8 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.4 | -38 | 177.4 | -70.4 | 168.3 | -61.2 | 0 | 0 | 112.8 | A58 S59 L64 D65 K66 | A58-Q62 HydrophobicContact CB-CB 4.45Å; S59-Q62 PolarHBondContact O-N 2.87Å; S59-Q62 WeakPolarHBondContact OG-CG 3.45Å; S59-Q62 PolarHBondContact OG-N 3.28Å; S59-Q62 PolarHBondContact OG-OE1 3.19Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-D65 PolarHBondContact O-N 3.5Å; Q62-K66 WeakPolarHBondContact O-CB 3.44Å; Q62-K66 WeakPolarHBondContact O-CG 3.44Å; Q62-K66 PolarHBondContact O-N 3.36Å |
| 63 | I | 98.4 | Very high | 96.6 | Very high | 10 Ų | 10 | 83.9 Ų | 83.9 | 5% | 0.051 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 175.5 | -67.6 | 165.1 | 0 | 0 | 0 | 110.6 | F43 L46 R47 L53 A58 S59 R60 A61 A67 | F43-I63 HydrophobicContact CD1-CB 4.17Å; F43-I63 HydrophobicContact CD1-CD1 3.99Å; F43-I63 HydrophobicContact CD1-CG2 3.95Å; F43-I63 HydrophobicContact CE1-CB 4.42Å; F43-I63 HydrophobicContact CE1-CG2 4.37Å; L46-I63 HydrophobicContact CB-CG2 4.22Å; L46-I63 HydrophobicContact CD2-CG2 3.69Å; L46-I63 HydrophobicContact CG-CG2 3.76Å; R47-I63 HydrophobicContact CB-CD1 4.08Å; R47-I63 HydrophobicContact CB-CG1 4.18Å; R47-I63 HydrophobicContact CG-CD1 4.45Å; R47-I63 HydrophobicContact CG-CG1 4.35Å; L53-I63 HydrophobicContact CD1-CB 4.28Å; L53-I63 HydrophobicContact CD1-CG1 4.03Å; L53-I63 HydrophobicContact CD1-CG2 4.49Å; A58-I63 HydrophobicContact CB-CD1 4.43Å; A58-I63 HydrophobicContact CB-CG1 3.84Å; S59-I63 WeakPolarHBondContact O-CG1 3.49Å; S59-I63 PolarHBondContact O-N 3.47Å; R60-I63 PolarHBondContact O-N 3.45Å; A61-I63 VanDerWaalsContact C-N 3.29Å; A61-I63 PolarHBondContact O-N 3.1Å; I63-A67 WeakPolarHBondContact O-CB 3.42Å; I63-A67 PolarHBondContact O-N 3.27Å |
| 64 | L | 98.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 85.9 Ų | 85.9 | 44% | 0.44 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 178.9 | -64 | 173.4 | 0 | 0 | 0 | 111.4 | F43 L46 R60 A61 Q62 K66 A67 T68 | F43-L64 HydrophobicContact CE1-CD1 4.42Å; F43-L64 HydrophobicContact CE1-CD2 4.02Å; F43-L64 HydrophobicContact CE1-CG 3.98Å; F43-L64 HydrophobicContact CZ-CD1 4.29Å; F43-L64 HydrophobicContact CZ-CD2 4.18Å; F43-L64 HydrophobicContact CZ-CG 4.28Å; L46-L64 HydrophobicContact CD2-CD2 4.28Å; R60-L64 WeakPolarHBondContact O-CG 3.28Å; R60-L64 PolarHBondContact O-N 2.88Å; R60-L64 VanDerWaalsContact O-N 3.16Å; A61-L64 PolarHBondContact O-N 3.15Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; L64-K66 PolarHBondContact O-N 3.31Å; L64-A67 PolarHBondContact O-N 3.37Å; L64-T68 PolarHBondContact O-N 3.03Å; L64-T68 PolarHBondContact O-OG1 3.35Å |
| 65 | D | 98.6 | Very high | 97.1 | Very high | 94 Ų | 94 | 89.3 Ų | 89.3 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.1 | -49.7 | -179.3 | -65 | -26 | 0 | 0 | 0 | 111 | A61 Q62 A67 T68 E69 | A61-D65 VanDerWaalsContact O-CG 3.29Å; A61-D65 PolarHBondContact O-N 3.49Å; Q62-D65 PolarHBondContact O-N 3.5Å; D65-A67 PolarHBondContact O-N 3.5Å; D65-T68 PolarHBondContact O-N 2.97Å; D65-E69 WeakPolarHBondContact O-CG 3.36Å; D65-E69 PolarHBondContact O-N 3.46Å |
| 66 | K | 98.4 | Very high | 97.6 | Very high | 79 Ų | 79 | 93 Ų | 93 | 34% | 0.343 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.4 | -33.2 | 179.3 | -67.6 | -65.1 | 172.4 | -161.5 | 0 | 113.2 | V50 L53 Q62 L64 E69 Y70 | V50-K66 HydrophobicContact CG1-CB 4.18Å; L53-K66 HydrophobicContact CD1-CB 3.84Å; L53-K66 HydrophobicContact CD1-CG 4.42Å; L53-K66 HydrophobicContact CD2-CB 4.21Å; L53-K66 HydrophobicContact CD2-CG 3.93Å; L53-K66 HydrophobicContact CG-CB 4.01Å; L53-K66 HydrophobicContact CG-CG 4.28Å; Q62-K66 WeakPolarHBondContact O-CB 3.44Å; Q62-K66 WeakPolarHBondContact O-CG 3.44Å; Q62-K66 PolarHBondContact O-N 3.36Å; L64-K66 PolarHBondContact O-N 3.31Å; K66-E69 WeakPolarHBondContact CD-OE2 3.44Å; K66-E69 IonicContact NZ-OE1 2.7Å; K66-E69 IonicContact NZ-OE2 2.76Å; K66-E69 PolarHBondContact NZ-OE2 3.09Å; K66-Y70 VanDerWaalsContact O-CB 3.22Å; K66-Y70 WeakPolarHBondContact O-CB 3.31Å; K66-Y70 PolarHBondContact O-N 2.77Å |
| 67 | A | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 91 Ų | 91 | 7% | 0.074 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.1 | -44 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L46 V50 I63 L64 D65 Y70 I71 | L46-A67 HydrophobicContact CD1-CB 3.92Å; L46-A67 HydrophobicContact CD2-CB 4.25Å; L46-A67 HydrophobicContact CG-CB 4.25Å; V50-A67 HydrophobicContact CG2-CB 3.96Å; I63-A67 WeakPolarHBondContact O-CB 3.42Å; I63-A67 PolarHBondContact O-N 3.27Å; L64-A67 PolarHBondContact O-N 3.37Å; D65-A67 PolarHBondContact O-N 3.5Å; A67-Y70 PolarHBondContact O-N 3.37Å; A67-I71 VanDerWaalsContact O-CG1 3.29Å; A67-I71 WeakPolarHBondContact O-CG1 3.34Å; A67-I71 PolarHBondContact O-N 3.41Å |
| 68 | T | 98.8 | Very high | 98.4 | Very high | 77 Ų | 77 | 85.3 Ų | 85.3 | 47% | 0.472 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 175.9 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | L64 D65 Y70 I71 Q72 | L64-T68 PolarHBondContact O-N 3.03Å; L64-T68 PolarHBondContact O-OG1 3.35Å; D65-T68 PolarHBondContact O-N 2.97Å; T68-Y70 VanDerWaalsContact C-N 3.32Å; T68-Y70 PolarHBondContact O-N 3.22Å; T68-I71 PolarHBondContact O-N 3.2Å; T68-Q72 WeakPolarHBondContact O-CG 3.41Å; T68-Q72 PolarHBondContact O-N 3.47Å; T68-Q72 VanDerWaalsContact O-N 3.1Å |
| 69 | E | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 89.4 Ų | 89.4 | 46% | 0.458 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57 | -45.9 | 174.8 | -74.4 | 176.1 | -166.9 | 0 | 0 | 111.5 | D65 K66 Q72 Y73 | D65-E69 WeakPolarHBondContact O-CG 3.36Å; D65-E69 PolarHBondContact O-N 3.46Å; K66-E69 WeakPolarHBondContact CD-OE2 3.44Å; K66-E69 IonicContact NZ-OE1 2.7Å; K66-E69 IonicContact NZ-OE2 2.76Å; K66-E69 PolarHBondContact NZ-OE2 3.09Å; E69-Q72 PolarHBondContact O-N 2.81Å; E69-Y73 WeakPolarHBondContact O-CB 3.32Å; E69-Y73 PolarHBondContact O-N 2.94Å |
| 70 | Y | 98.8 | Very high | 98.6 | Very high | 77 Ų | 77 | 89.9 Ų | 89.9 | 30% | 0.302 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | -178 | -174.3 | -121.3 | 0 | 0 | 0 | 112.4 | V50 P51 K66 A67 T68 Q72 Y73 M74 | V50-Y70 HydrophobicContact CG1-CG 4.45Å; V50-Y70 HydrophobicContact CG2-CD1 4.49Å; P51-Y70 VanDerWaalsContact CD-CZ 3.43Å; P51-Y70 HydrophobicContact CG-CE1 4.35Å; P51-Y70 HydrophobicContact CG-CE2 3.94Å; K66-Y70 VanDerWaalsContact O-CB 3.22Å; K66-Y70 WeakPolarHBondContact O-CB 3.31Å; K66-Y70 PolarHBondContact O-N 2.77Å; A67-Y70 PolarHBondContact O-N 3.37Å; T68-Y70 VanDerWaalsContact C-N 3.32Å; T68-Y70 PolarHBondContact O-N 3.22Å; Y70-Q72 VanDerWaalsContact C-N 3.35Å; Y70-Q72 PolarHBondContact O-N 2.93Å; Y70-Y73 HydrophobicContact CD2-CD1 4.07Å; Y70-Y73 HydrophobicContact CE2-CD1 4.11Å; Y70-Y73 HydrophobicContact CE2-CE1 4.46Å; Y70-Y73 PolarHBondContact O-N 3.46Å; Y70-M74 HydrophobicContact CD1-CG 4.37Å; Y70-M74 HydrophobicContact CD2-CG 4.1Å; Y70-M74 HydrophobicContact CE1-CG 3.99Å; Y70-M74 HydrophobicContact CE2-CG 3.68Å; Y70-M74 HydrophobicContact CE2-SD 3.87Å; Y70-M74 HydrophobicContact CG-CG 4.42Å; Y70-M74 WeakPolarHBondContact O-CB 3.42Å; Y70-M74 WeakPolarHBondContact O-CG 3.48Å; Y70-M74 PolarHBondContact O-N 3.28Å |
| 71 | I | 98.7 | Very high | 98.6 | Very high | 88 Ų | 88 | 87.2 Ų | 87.2 | 45% | 0.451 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 174 | -70 | 165 | 0 | 0 | 0 | 110.6 | A67 T68 Y73 M74 R75 | A67-I71 VanDerWaalsContact O-CG1 3.29Å; A67-I71 WeakPolarHBondContact O-CG1 3.34Å; A67-I71 PolarHBondContact O-N 3.41Å; T68-I71 PolarHBondContact O-N 3.2Å; I71-Y73 VanDerWaalsContact C-N 3.35Å; I71-Y73 PolarHBondContact O-N 3.49Å; I71-M74 PolarHBondContact O-N 2.9Å; I71-R75 WeakPolarHBondContact O-CB 3.32Å; I71-R75 VanDerWaalsContact O-CG 3.29Å; I71-R75 WeakPolarHBondContact O-CG 3.4Å; I71-R75 PolarHBondContact O-N 3.16Å |
| 72 | Q | 98.8 | Very high | 98.7 | Very high | 107 Ų | 107 | 88.8 Ų | 88.8 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 178.4 | -68.8 | 177.4 | 10.6 | 0 | 0 | 112.2 | T68 E69 Y70 R76 | T68-Q72 WeakPolarHBondContact O-CG 3.41Å; T68-Q72 PolarHBondContact O-N 3.47Å; T68-Q72 VanDerWaalsContact O-N 3.1Å; E69-Q72 PolarHBondContact O-N 2.81Å; Y70-Q72 VanDerWaalsContact C-N 3.35Å; Y70-Q72 PolarHBondContact O-N 2.93Å; Q72-R76 PolarHBondContact O-N 2.95Å; Q72-R76 PolarHBondContact O-NE 3.1Å |
| 73 | Y | 98.6 | Very high | 98.7 | Very high | 110 Ų | 110 | 88.3 Ų | 88.3 | 43% | 0.431 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61 | -51.7 | 173.9 | 167.6 | -102.4 | 0 | 0 | 0 | 111.4 | E69 Y70 I71 R75 R76 K77 | E69-Y73 WeakPolarHBondContact O-CB 3.32Å; E69-Y73 PolarHBondContact O-N 2.94Å; Y70-Y73 HydrophobicContact CD2-CD1 4.07Å; Y70-Y73 HydrophobicContact CE2-CD1 4.11Å; Y70-Y73 HydrophobicContact CE2-CE1 4.46Å; Y70-Y73 PolarHBondContact O-N 3.46Å; I71-Y73 VanDerWaalsContact C-N 3.35Å; I71-Y73 PolarHBondContact O-N 3.49Å; Y73-R75 VanDerWaalsContact C-N 3.31Å; Y73-R75 PolarHBondContact O-N 2.9Å; Y73-R76 PolarHBondContact O-N 2.94Å; Y73-R76 VanDerWaalsContact O-N 3.15Å; Y73-K77 HydrophobicContact CE1-CD 4.05Å; Y73-K77 WeakPolarHBondContact O-CB 3.38Å; Y73-K77 PolarHBondContact O-N 3.4Å |
| 74 | M | 98.8 | Very high | 98.7 | Very high | 52 Ų | 52 | 91.4 Ų | 91.4 | 26% | 0.256 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | -178.8 | -72.7 | -57.5 | -63.9 | 0 | 0 | 112.4 | Y70 I71 K77 N78 | Y70-M74 HydrophobicContact CD1-CG 4.37Å; Y70-M74 HydrophobicContact CD2-CG 4.1Å; Y70-M74 HydrophobicContact CE1-CG 3.99Å; Y70-M74 HydrophobicContact CE2-CG 3.68Å; Y70-M74 HydrophobicContact CE2-SD 3.87Å; Y70-M74 HydrophobicContact CG-CG 4.42Å; Y70-M74 WeakPolarHBondContact O-CB 3.42Å; Y70-M74 WeakPolarHBondContact O-CG 3.48Å; Y70-M74 PolarHBondContact O-N 3.28Å; I71-M74 PolarHBondContact O-N 2.9Å; M74-K77 PolarHBondContact O-N 2.91Å; M74-K77 HydrophobicContact SD-CD 4.26Å; M74-N78 VanDerWaalsContact O-CB 3.31Å; M74-N78 WeakPolarHBondContact O-CB 3.35Å; M74-N78 PolarHBondContact O-N 3.26Å |
| 75 | R | 98.8 | Very high | 98.7 | Very high | 185 Ų | 185 | 91 Ų | 91 | 70% | 0.698 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.1 | -48.3 | 172.5 | -76.3 | 175.9 | 178.7 | -171.6 | 0.3 | 112 | I71 Y73 H79 | I71-R75 WeakPolarHBondContact O-CB 3.32Å; I71-R75 VanDerWaalsContact O-CG 3.29Å; I71-R75 WeakPolarHBondContact O-CG 3.4Å; I71-R75 PolarHBondContact O-N 3.16Å; Y73-R75 VanDerWaalsContact C-N 3.31Å; Y73-R75 PolarHBondContact O-N 2.9Å; R75-H79 WeakPolarHBondContact O-CB 3.43Å; R75-H79 PolarHBondContact O-N 3.4Å |
| 76 | R | 98.7 | Very high | 98.7 | Very high | 164 Ų | 164 | 90 Ų | 90 | 62% | 0.619 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.3 | -45.8 | 177.1 | -73.2 | -178.1 | -72.6 | 163.3 | -4.6 | 111.5 | Q72 Y73 N78 H79 T80 | Q72-R76 PolarHBondContact O-N 2.95Å; Q72-R76 PolarHBondContact O-NE 3.1Å; Y73-R76 PolarHBondContact O-N 2.94Å; Y73-R76 VanDerWaalsContact O-N 3.15Å; R76-N78 PolarHBondContact O-N 3.16Å; R76-H79 WeakPolarHBondContact O-CB 3.22Å; R76-H79 PolarHBondContact O-N 2.71Å; R76-T80 PolarHBondContact O-N 2.99Å; R76-T80 PolarHBondContact O-OG1 3.32Å |
| 77 | K | 98.6 | Very high | 98.7 | Very high | 80 Ų | 80 | 89.4 Ų | 89.4 | 35% | 0.348 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 178.4 | -175.3 | -179.9 | -178.7 | 176.3 | 0 | 112.1 | Y73 M74 H79 T80 H81 | Y73-K77 HydrophobicContact CE1-CD 4.05Å; Y73-K77 WeakPolarHBondContact O-CB 3.38Å; Y73-K77 PolarHBondContact O-N 3.4Å; M74-K77 PolarHBondContact O-N 2.91Å; M74-K77 HydrophobicContact SD-CD 4.26Å; K77-H79 VanDerWaalsContact C-N 3.28Å; K77-H79 PolarHBondContact O-N 3.27Å; K77-T80 PolarHBondContact O-N 3.17Å; K77-H81 VanDerWaalsContact CE-NE2 3.26Å; K77-H81 WeakPolarHBondContact CE-NE2 3.29Å; K77-H81 PolarHBondContact O-N 3.18Å |
| 78 | N | 98.8 | Very high | 98.8 | Very high | 94 Ų | 94 | 93.6 Ų | 93.6 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 177 | -72.6 | -5 | 0 | 0 | 0 | 111.7 | M74 R76 H81 Q82 | M74-N78 VanDerWaalsContact O-CB 3.31Å; M74-N78 WeakPolarHBondContact O-CB 3.35Å; M74-N78 PolarHBondContact O-N 3.26Å; R76-N78 PolarHBondContact O-N 3.16Å; N78-H81 PolarHBondContact O-N 2.99Å; N78-Q82 WeakPolarHBondContact O-CB 3.29Å; N78-Q82 PolarHBondContact O-N 2.8Å |
| 79 | H | 98.8 | Very high | 98.8 | Very high | 113 Ų | 113 | 96.1 Ų | 96.1 | 52% | 0.523 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 175.8 | -176.9 | 62.5 | 0 | 0 | 0 | 112.1 | R75 R76 K77 Q82 Q83 | R75-H79 WeakPolarHBondContact O-CB 3.43Å; R75-H79 PolarHBondContact O-N 3.4Å; R76-H79 WeakPolarHBondContact O-CB 3.22Å; R76-H79 PolarHBondContact O-N 2.71Å; K77-H79 VanDerWaalsContact C-N 3.28Å; K77-H79 PolarHBondContact O-N 3.27Å; H79-Q82 PolarHBondContact O-N 3.16Å; H79-Q83 PolarHBondContact NE2-NE2 3.06Å; H79-Q83 WeakPolarHBondContact O-CG 3.47Å; H79-Q83 PolarHBondContact O-N 3.4Å |
| 80 | T | 98.8 | Very high | 98.8 | Very high | 65 Ų | 65 | 98.5 Ų | 98.5 | 40% | 0.399 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | R76 K77 Q82 Q83 D84 | R76-T80 PolarHBondContact O-N 2.99Å; R76-T80 PolarHBondContact O-OG1 3.32Å; K77-T80 PolarHBondContact O-N 3.17Å; T80-Q82 VanDerWaalsContact C-N 3.26Å; T80-Q82 PolarHBondContact O-N 3.49Å; T80-Q83 WeakPolarHBondContact O-CB 3.49Å; T80-Q83 PolarHBondContact O-N 2.97Å; T80-D84 VanDerWaalsContact O-CG 3.26Å; T80-D84 PolarHBondContact O-N 3.28Å |
| 81 | H | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 100.2 Ų | 100.2 | 40% | 0.403 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.2 | -36.4 | 176.5 | -70.1 | -26 | 0 | 0 | 0 | 112.8 | K77 N78 D84 I85 | K77-H81 VanDerWaalsContact CE-NE2 3.26Å; K77-H81 WeakPolarHBondContact CE-NE2 3.29Å; K77-H81 PolarHBondContact O-N 3.18Å; N78-H81 PolarHBondContact O-N 2.99Å; H81-D84 IonicContact ND1-OD2 2.71Å; H81-D84 PolarHBondContact O-N 2.78Å; H81-I85 WeakPolarHBondContact O-CB 3.5Å; H81-I85 WeakPolarHBondContact O-CD1 3.35Å; H81-I85 WeakPolarHBondContact O-CG1 3.36Å; H81-I85 PolarHBondContact O-N 3.33Å |
| 82 | Q | 98.9 | Very high | 98.7 | Very high | 91 Ų | 91 | 100.1 Ų | 100.1 | 43% | 0.425 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 175.2 | -170.5 | 58.7 | 58 | 0 | 0 | 111.8 | N78 H79 T80 I85 D86 | N78-Q82 WeakPolarHBondContact O-CB 3.29Å; N78-Q82 PolarHBondContact O-N 2.8Å; H79-Q82 PolarHBondContact O-N 3.16Å; T80-Q82 VanDerWaalsContact C-N 3.26Å; T80-Q82 PolarHBondContact O-N 3.49Å; Q82-I85 PolarHBondContact O-N 2.94Å; Q82-D86 PolarHBondContact NE2-OD1 2.9Å; Q82-D86 PolarHBondContact O-N 3.41Å |
| 83 | Q | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 97.6 Ų | 97.6 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 173.5 | -69.8 | 174.9 | -23.8 | 0 | 0 | 111.4 | H79 T80 I85 D86 D87 | H79-Q83 PolarHBondContact NE2-NE2 3.06Å; H79-Q83 WeakPolarHBondContact O-CG 3.47Å; H79-Q83 PolarHBondContact O-N 3.4Å; T80-Q83 WeakPolarHBondContact O-CB 3.49Å; T80-Q83 PolarHBondContact O-N 2.97Å; Q83-I85 VanDerWaalsContact C-N 3.3Å; Q83-I85 PolarHBondContact O-N 2.95Å; Q83-D86 PolarHBondContact O-N 3.3Å; Q83-D86 VanDerWaalsContact O-N 3.14Å; Q83-D87 WeakPolarHBondContact O-CB 3.33Å; Q83-D87 PolarHBondContact O-N 2.93Å |
| 84 | D | 98.8 | Very high | 98.7 | Very high | 76 Ų | 76 | 96.7 Ų | 96.7 | 41% | 0.406 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 177.8 | -60 | -28.7 | 0 | 0 | 0 | 111.2 | T80 H81 D86 D87 L88 | T80-D84 VanDerWaalsContact O-CG 3.26Å; T80-D84 PolarHBondContact O-N 3.28Å; H81-D84 IonicContact ND1-OD2 2.71Å; H81-D84 PolarHBondContact O-N 2.78Å; D84-D86 PolarHBondContact O-N 3.11Å; D84-D87 PolarHBondContact O-N 3.02Å; D84-L88 WeakPolarHBondContact O-CB 3.33Å; D84-L88 VanDerWaalsContact O-CG 3.26Å; D84-L88 WeakPolarHBondContact O-CG 3.3Å; D84-L88 PolarHBondContact O-N 3.28Å |
| 85 | I | 98.8 | Very high | 98.7 | Very high | 76 Ų | 76 | 98.7 Ų | 98.7 | 39% | 0.39 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 176.1 | -72.8 | 164.7 | 0 | 0 | 0 | 110.9 | H81 Q82 Q83 K89 | H81-I85 WeakPolarHBondContact O-CB 3.5Å; H81-I85 WeakPolarHBondContact O-CD1 3.35Å; H81-I85 WeakPolarHBondContact O-CG1 3.36Å; H81-I85 PolarHBondContact O-N 3.33Å; Q82-I85 PolarHBondContact O-N 2.94Å; Q83-I85 VanDerWaalsContact C-N 3.3Å; Q83-I85 PolarHBondContact O-N 2.95Å; I85-K89 HydrophobicContact CG2-CD 4.09Å; I85-K89 WeakPolarHBondContact O-CB 3.16Å; I85-K89 VanDerWaalsContact O-CG 3.28Å; I85-K89 WeakPolarHBondContact O-CG 3.43Å; I85-K89 PolarHBondContact O-N 2.93Å |
| 86 | D | 98.8 | Very high | 98.6 | Very high | 71 Ų | 71 | 96 Ų | 96 | 38% | 0.38 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.6 | -36.9 | -176.9 | -66.2 | -20.5 | 0 | 0 | 0 | 111.7 | Q82 Q83 D84 K89 R90 | Q82-D86 PolarHBondContact NE2-OD1 2.9Å; Q82-D86 PolarHBondContact O-N 3.41Å; Q83-D86 PolarHBondContact O-N 3.3Å; Q83-D86 VanDerWaalsContact O-N 3.14Å; D84-D86 PolarHBondContact O-N 3.11Å; D86-K89 PolarHBondContact O-N 3.3Å; D86-R90 PolarHBondContact O-N 2.97Å |
| 87 | D | 98.8 | Very high | 98.5 | Very high | 68 Ų | 68 | 94.5 Ų | 94.5 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 175.5 | -75 | -16.4 | 0 | 0 | 0 | 111.8 | Q83 D84 K89 R90 Q91 | Q83-D87 WeakPolarHBondContact O-CB 3.33Å; Q83-D87 PolarHBondContact O-N 2.93Å; D84-D87 PolarHBondContact O-N 3.02Å; D87-K89 VanDerWaalsContact C-N 3.35Å; D87-K89 PolarHBondContact O-N 3.45Å; D87-R90 WeakPolarHBondContact O-CB 3.35Å; D87-R90 PolarHBondContact O-N 3.3Å; D87-R90 IonicContact OD1-CZ 3.81Å; D87-R90 IonicContact OD1-NH1 3.44Å; D87-R90 PolarHBondContact OD1-NH1 2.99Å; D87-R90 IonicContact OD1-NH2 2.99Å; D87-R90 PolarHBondContact OD1-NH2 3.3Å; D87-Q91 WeakPolarHBondContact O-CG 3.38Å; D87-Q91 PolarHBondContact O-N 3.24Å |
| 88 | L | 98.8 | Very high | 98.4 | Very high | 96 Ų | 96 | 96.1 Ų | 96.1 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 174.8 | -74.8 | 171.5 | 0 | 0 | 0 | 111.9 | D84 R90 Q91 N92 | D84-L88 WeakPolarHBondContact O-CB 3.33Å; D84-L88 VanDerWaalsContact O-CG 3.26Å; D84-L88 WeakPolarHBondContact O-CG 3.3Å; D84-L88 PolarHBondContact O-N 3.28Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 3.48Å; L88-Q91 PolarHBondContact O-N 2.76Å; L88-N92 WeakPolarHBondContact O-CB 3.43Å; L88-N92 PolarHBondContact O-N 3.46Å |
| 89 | K | 98.7 | Very high | 98.3 | Very high | 130 Ų | 130 | 95.2 Ų | 95.2 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.5 | -42.1 | 173.7 | -78.3 | 173.8 | 179.2 | 174.6 | 0 | 111.9 | I85 D86 D87 N92 A93 | I85-K89 HydrophobicContact CG2-CD 4.09Å; I85-K89 WeakPolarHBondContact O-CB 3.16Å; I85-K89 VanDerWaalsContact O-CG 3.28Å; I85-K89 WeakPolarHBondContact O-CG 3.43Å; I85-K89 PolarHBondContact O-N 2.93Å; D86-K89 PolarHBondContact O-N 3.3Å; D87-K89 VanDerWaalsContact C-N 3.35Å; D87-K89 PolarHBondContact O-N 3.45Å; K89-N92 PolarHBondContact O-N 3.23Å; K89-A93 WeakPolarHBondContact O-CB 3.49Å; K89-A93 PolarHBondContact O-N 3.21Å |
| 90 | R | 98.6 | Very high | 98.1 | Very high | 148 Ų | 148 | 98.7 Ų | 98.7 | 56% | 0.558 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 176.8 | -166.3 | -173.2 | -55.3 | 111.9 | 7.9 | 111.2 | D86 D87 L88 A93 L94 | D86-R90 PolarHBondContact O-N 2.97Å; D87-R90 WeakPolarHBondContact O-CB 3.35Å; D87-R90 PolarHBondContact O-N 3.3Å; D87-R90 IonicContact OD1-CZ 3.81Å; D87-R90 IonicContact OD1-NH1 3.44Å; D87-R90 PolarHBondContact OD1-NH1 2.99Å; D87-R90 IonicContact OD1-NH2 2.99Å; D87-R90 PolarHBondContact OD1-NH2 3.3Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 3.48Å; R90-A93 PolarHBondContact O-N 3.47Å; R90-L94 WeakPolarHBondContact O-CG 3.41Å; R90-L94 PolarHBondContact O-N 3.11Å; R90-L94 VanDerWaalsContact O-N 3.14Å |
| 91 | Q | 98.6 | Very high | 97.8 | Very high | 113 Ų | 113 | 98.1 Ų | 98.1 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 177 | -71.6 | 178 | -0.8 | 0 | 0 | 111.8 | D87 L88 A93 L94 L95 | D87-Q91 WeakPolarHBondContact O-CG 3.38Å; D87-Q91 PolarHBondContact O-N 3.24Å; L88-Q91 PolarHBondContact O-N 2.76Å; Q91-A93 VanDerWaalsContact C-N 3.35Å; Q91-A93 PolarHBondContact O-N 3.35Å; Q91-L94 PolarHBondContact O-N 3.07Å; Q91-L95 WeakPolarHBondContact O-CG 3.48Å; Q91-L95 PolarHBondContact O-N 2.97Å |
| 92 | N | 98.6 | Very high | 97.5 | Very high | 87 Ų | 87 | 99.4 Ų | 99.4 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 176.7 | -78 | -15.9 | 0 | 0 | 0 | 111.8 | L88 K89 L94 L95 E96 | L88-N92 WeakPolarHBondContact O-CB 3.43Å; L88-N92 PolarHBondContact O-N 3.46Å; K89-N92 PolarHBondContact O-N 3.23Å; N92-L94 VanDerWaalsContact C-N 3.3Å; N92-L94 PolarHBondContact O-N 2.93Å; N92-L95 PolarHBondContact O-N 3.01Å; N92-L95 VanDerWaalsContact O-N 3.17Å; N92-E96 WeakPolarHBondContact O-CB 3.42Å; N92-E96 VanDerWaalsContact O-CG 3.3Å; N92-E96 WeakPolarHBondContact O-CG 3.47Å; N92-E96 PolarHBondContact O-N 2.99Å |
| 93 | A | 98.4 | Very high | 97.2 | Very high | 54 Ų | 54 | 101 Ų | 101 | 45% | 0.446 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K89 R90 Q91 Q97 | K89-A93 WeakPolarHBondContact O-CB 3.49Å; K89-A93 PolarHBondContact O-N 3.21Å; R90-A93 PolarHBondContact O-N 3.47Å; Q91-A93 VanDerWaalsContact C-N 3.35Å; Q91-A93 PolarHBondContact O-N 3.35Å; A93-Q97 WeakPolarHBondContact O-CB 3.41Å; A93-Q97 PolarHBondContact O-N 3.34Å |
| 94 | L | 98.2 | Very high | 96.6 | Very high | 91 Ų | 91 | 104.9 Ų | 104.9 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.6 | -69.8 | 173.8 | 0 | 0 | 0 | 111.9 | R90 Q91 N92 Q97 Q98 | R90-L94 WeakPolarHBondContact O-CG 3.41Å; R90-L94 PolarHBondContact O-N 3.11Å; R90-L94 VanDerWaalsContact O-N 3.14Å; Q91-L94 PolarHBondContact O-N 3.07Å; N92-L94 VanDerWaalsContact C-N 3.3Å; N92-L94 PolarHBondContact O-N 2.93Å; L94-Q97 PolarHBondContact O-N 3.41Å; L94-Q98 WeakPolarHBondContact O-CG 3.39Å; L94-Q98 PolarHBondContact O-N 3.39Å |
| 95 | L | 98 | Very high | 95.9 | Very high | 94 Ų | 94 | 105.3 Ų | 105.3 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 177.7 | -70 | 173.4 | 0 | 0 | 0 | 111.6 | Q91 N92 Q97 Q98 V99 | Q91-L95 WeakPolarHBondContact O-CG 3.48Å; Q91-L95 PolarHBondContact O-N 2.97Å; N92-L95 PolarHBondContact O-N 3.01Å; N92-L95 VanDerWaalsContact O-N 3.17Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 3.03Å; L95-Q98 WeakPolarHBondContact O-CB 3.41Å; L95-Q98 PolarHBondContact O-N 3.03Å; L95-Q98 VanDerWaalsContact O-N 3.12Å; L95-V99 WeakPolarHBondContact O-CG2 3.38Å; L95-V99 PolarHBondContact O-N 3.26Å |
| 96 | E | 97.6 | Very high | 94.9 | Very high | 127 Ų | 127 | 109.3 Ų | 109.3 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.6 | -40.2 | 174.3 | -74.5 | 173.4 | -166.4 | 0 | 0 | 111.7 | N92 R100 | N92-E96 WeakPolarHBondContact O-CB 3.42Å; N92-E96 VanDerWaalsContact O-CG 3.3Å; N92-E96 WeakPolarHBondContact O-CG 3.47Å; N92-E96 PolarHBondContact O-N 2.99Å; E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 PolarHBondContact O-N 3.46Å |
| 97 | Q | 96.6 | Very high | 93.5 | Very high | 133 Ų | 133 | 107.9 Ų | 107.9 | 62% | 0.621 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 174.6 | -173.8 | -179 | 10.1 | 0 | 0 | 111.9 | A93 L94 L95 R100 A101 | A93-Q97 WeakPolarHBondContact O-CB 3.41Å; A93-Q97 PolarHBondContact O-N 3.34Å; L94-Q97 PolarHBondContact O-N 3.41Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 3.03Å; Q97-R100 PolarHBondContact O-N 2.89Å; Q97-A101 WeakPolarHBondContact O-CB 3.46Å; Q97-A101 PolarHBondContact O-N 2.9Å |
| 98 | Q | 96.4 | Very high | 91.9 | Very high | 114 Ų | 114 | 107.4 Ų | 107.4 | 53% | 0.533 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 177.4 | -71.6 | 173.9 | 23.6 | 0 | 0 | 111.8 | L94 L95 R100 A101 L102 | L94-Q98 WeakPolarHBondContact O-CG 3.39Å; L94-Q98 PolarHBondContact O-N 3.39Å; L95-Q98 WeakPolarHBondContact O-CB 3.41Å; L95-Q98 PolarHBondContact O-N 3.03Å; L95-Q98 VanDerWaalsContact O-N 3.12Å; Q98-R100 PolarHBondContact O-N 3.03Å; Q98-A101 PolarHBondContact O-N 3.25Å; Q98-L102 WeakPolarHBondContact O-CG 3.48Å; Q98-L102 PolarHBondContact O-N 2.98Å |
| 99 | V | 96.3 | Very high | 90.1 | Very high | 76 Ų | 76 | 106.5 Ų | 106.5 | 46% | 0.461 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.8 | -50.5 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | L95 A101 L102 E103 | L95-V99 WeakPolarHBondContact O-CG2 3.38Å; L95-V99 PolarHBondContact O-N 3.26Å; V99-A101 VanDerWaalsContact C-N 3.3Å; V99-A101 PolarHBondContact O-N 3.46Å; V99-L102 PolarHBondContact O-N 3.4Å; V99-L102 VanDerWaalsContact O-N 3.14Å; V99-E103 HydrophobicContact CG1-CG 4.34Å; V99-E103 WeakPolarHBondContact O-CG 3.29Å; V99-E103 PolarHBondContact O-N 3.17Å |
| 100 | R | 95.5 | Very high | 88.2 | Confident | 185 Ų | 185 | 107 Ų | 107 | 70% | 0.698 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.9 | -40.2 | 178.3 | -173.2 | -177.1 | -61.9 | -150.8 | 0.4 | 112.7 | E96 Q97 Q98 K104 | E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 PolarHBondContact O-N 3.46Å; Q97-R100 PolarHBondContact O-N 2.89Å; Q98-R100 PolarHBondContact O-N 3.03Å; R100-K104 PolarHBondContact O-N 3.5Å; R100-K104 VanDerWaalsContact O-N 3.1Å |
| 101 | A | 93 | Very high | 86.2 | Confident | 54 Ų | 54 | 105 Ų | 105 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q97 Q98 V99 K104 V105 | Q97-A101 WeakPolarHBondContact O-CB 3.46Å; Q97-A101 PolarHBondContact O-N 2.9Å; Q98-A101 PolarHBondContact O-N 3.25Å; V99-A101 VanDerWaalsContact C-N 3.3Å; V99-A101 PolarHBondContact O-N 3.46Å; A101-K104 PolarHBondContact O-N 3.36Å; A101-V105 WeakPolarHBondContact O-CG2 3.4Å; A101-V105 PolarHBondContact O-N 2.89Å; A101-V105 VanDerWaalsContact O-N 3.1Å |
| 102 | L | 92 | Very high | 84.2 | Confident | 113 Ų | 113 | 106.4 Ų | 106.4 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.8 | -39.2 | 177.9 | -71.3 | 172 | 0 | 0 | 0 | 112.5 | Q98 V99 K104 V105 K106 | Q98-L102 WeakPolarHBondContact O-CG 3.48Å; Q98-L102 PolarHBondContact O-N 2.98Å; V99-L102 PolarHBondContact O-N 3.4Å; V99-L102 VanDerWaalsContact O-N 3.14Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-V105 PolarHBondContact O-N 2.93Å; L102-K106 PolarHBondContact O-N 3.42Å |
| 103 | E | 91.6 | Very high | 82.1 | Confident | 126 Ų | 126 | 106.4 Ų | 106.4 | 59% | 0.589 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.3 | -41.9 | 173.7 | -72.9 | 173.3 | 164.4 | 0 | 0 | 111.5 | V99 V105 K106 G107 | V99-E103 HydrophobicContact CG1-CG 4.34Å; V99-E103 WeakPolarHBondContact O-CG 3.29Å; V99-E103 PolarHBondContact O-N 3.17Å; E103-V105 PolarHBondContact O-N 3.24Å; E103-K106 PolarHBondContact O-N 3.48Å; E103-G107 PolarHBondContact O-N 3.24Å |
| 104 | K | 87.2 | Confident | 80 | Confident | 171 Ų | 171 | 110.1 Ų | 110.1 | 74% | 0.743 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.3 | -42.1 | 175.6 | -172.2 | 179 | 180 | -177.5 | 0 | 112.1 | R100 A101 L102 S108 | R100-K104 PolarHBondContact O-N 3.5Å; R100-K104 VanDerWaalsContact O-N 3.1Å; A101-K104 PolarHBondContact O-N 3.36Å; L102-K104 VanDerWaalsContact C-N 3.33Å; K104-S108 PolarHBondContact O-N 2.89Å; K104-S108 PolarHBondContact O-OG 2.99Å; K104-S108 VanDerWaalsContact O-OG 3.07Å |
| 105 | V | 83.6 | Confident | 77.8 | Confident | 85 Ų | 85 | 115.1 Ų | 115.1 | 52% | 0.515 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.2 | -44.8 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | A101 L102 E103 G107 S108 T109 | A101-V105 WeakPolarHBondContact O-CG2 3.4Å; A101-V105 PolarHBondContact O-N 2.89Å; A101-V105 VanDerWaalsContact O-N 3.1Å; L102-V105 PolarHBondContact O-N 2.93Å; E103-V105 PolarHBondContact O-N 3.24Å; V105-G107 VanDerWaalsContact C-N 3.33Å; V105-G107 PolarHBondContact O-N 3.42Å; V105-S108 WeakPolarHBondContact CA-OG 3.46Å; V105-S108 PolarHBondContact O-N 3.42Å; V105-S108 PolarHBondContact O-OG 2.97Å; V105-T109 PolarHBondContact O-N 3.39Å; V105-T109 PolarHBondContact O-OG1 3.14Å |
| 106 | K | 77.8 | Confident | 75.5 | Confident | 160 Ų | 160 | 115.3 Ų | 115.3 | 70% | 0.696 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.6 | -42.3 | 175.6 | -81.8 | -176.7 | 173.3 | 179.4 | 0 | 112.1 | L102 E103 T109 Q110 | L102-K106 PolarHBondContact O-N 3.42Å; E103-K106 PolarHBondContact O-N 3.48Å; K106-T109 PolarHBondContact O-N 3.01Å; K106-Q110 WeakPolarHBondContact O-CG 3.38Å; K106-Q110 PolarHBondContact O-N 2.81Å; K106-Q110 VanDerWaalsContact O-N 3.16Å |
| 107 | G | 68.9 | Low | 73 | Confident | 40 Ų | 40 | 113.3 Ų | 113.3 | 41% | 0.412 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.4 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E103 V105 I111 | E103-G107 PolarHBondContact O-N 3.24Å; V105-G107 VanDerWaalsContact C-N 3.33Å; V105-G107 PolarHBondContact O-N 3.42Å; G107-I111 WeakPolarHBondContact O-CG1 3.42Å; G107-I111 PolarHBondContact O-N 3Å |
| 108 | S | 65.6 | Low | 71.2 | Confident | 58 Ų | 58 | 112.6 Ų | 112.6 | 41% | 0.406 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.4 | -33.3 | 178.2 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | K104 V105 I111 Q112 | K104-S108 PolarHBondContact O-N 2.89Å; K104-S108 PolarHBondContact O-OG 2.99Å; K104-S108 VanDerWaalsContact O-OG 3.07Å; V105-S108 WeakPolarHBondContact CA-OG 3.46Å; V105-S108 PolarHBondContact O-N 3.42Å; V105-S108 PolarHBondContact O-OG 2.97Å; S108-I111 PolarHBondContact O-N 3.24Å; S108-Q112 PolarHBondContact O-N 3.38Å; S108-Q112 VanDerWaalsContact O-N 3.15Å |
| 109 | T | 61.6 | Low | 69 | Low | 77 Ų | 77 | 113.8 Ų | 113.8 | 47% | 0.472 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.4 | -40.4 | 174.2 | -54.7 | 0 | 0 | 0 | 0 | 112 | V105 K106 I111 Q112 T113 | V105-T109 PolarHBondContact O-N 3.39Å; V105-T109 PolarHBondContact O-OG1 3.14Å; K106-T109 PolarHBondContact O-N 3.01Å; T109-I111 VanDerWaalsContact C-N 3.34Å; T109-I111 PolarHBondContact O-N 3.11Å; T109-Q112 PolarHBondContact O-N 3.1Å; T109-T113 PolarHBondContact O-N 2.88Å; T109-T113 VanDerWaalsContact O-N 3.13Å; T109-T113 PolarHBondContact O-OG1 2.86Å |
| 110 | Q | 58.8 | Low | 66.8 | Low | 142 Ų | 142 | 115.6 Ų | 115.6 | 66% | 0.664 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.9 | -37 | 175.4 | -75.3 | -119.1 | -11.2 | 0 | 0 | 112.9 | K106 T113 N114 | K106-Q110 WeakPolarHBondContact O-CG 3.38Å; K106-Q110 PolarHBondContact O-N 2.81Å; K106-Q110 VanDerWaalsContact O-N 3.16Å; Q110-T113 PolarHBondContact O-OG1 2.84Å; Q110-N114 PolarHBondContact O-N 2.84Å |
| 111 | I | 55.6 | Low | 64.7 | Low | 106 Ų | 106 | 110.1 Ų | 110.1 | 54% | 0.544 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.7 | -41.5 | 175.8 | -62.2 | -88.8 | 0 | 0 | 0 | 110.2 | G107 S108 T109 N114 Y115 | G107-I111 WeakPolarHBondContact O-CG1 3.42Å; G107-I111 PolarHBondContact O-N 3Å; S108-I111 PolarHBondContact O-N 3.24Å; T109-I111 VanDerWaalsContact C-N 3.34Å; T109-I111 PolarHBondContact O-N 3.11Å; I111-N114 PolarHBondContact O-N 2.99Å; I111-Y115 HydrophobicContact CG2-CD2 3.87Å; I111-Y115 HydrophobicContact CG2-CE2 3.9Å; I111-Y115 WeakPolarHBondContact O-CD2 3.26Å; I111-Y115 PolarHBondContact O-N 2.73Å |
| 112 | Q | 56.3 | Low | 62.6 | Low | 142 Ų | 142 | 113.4 Ų | 113.4 | 66% | 0.664 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.9 | -35 | 178.9 | -72.5 | -174.5 | 11.8 | 0 | 0 | 113.7 | S108 T109 N114 Y115 S116 | S108-Q112 PolarHBondContact O-N 3.38Å; S108-Q112 VanDerWaalsContact O-N 3.15Å; T109-Q112 PolarHBondContact O-N 3.1Å; Q112-N114 VanDerWaalsContact C-N 3.32Å; Q112-Y115 PolarHBondContact O-N 2.72Å; Q112-S116 PolarHBondContact O-N 2.71Å |
| 113 | T | 55.6 | Low | 60.5 | Low | 87 Ų | 87 | 119.2 Ų | 119.2 | 53% | 0.534 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.7 | -26.8 | 175.8 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | T109 Q110 | T109-T113 PolarHBondContact O-N 2.88Å; T109-T113 VanDerWaalsContact O-N 3.13Å; T109-T113 PolarHBondContact O-OG1 2.86Å; Q110-T113 PolarHBondContact O-OG1 2.84Å |
| 114 | N | 54.6 | Low | 59 | Low | 132 Ų | 132 | 118.2 Ų | 118.2 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -81 | -20 | 176.6 | -92.8 | 43.1 | 0 | 0 | 0 | 114.3 | Q110 I111 Q112 | Q110-N114 PolarHBondContact O-N 2.84Å; I111-N114 PolarHBondContact O-N 2.99Å; Q112-N114 VanDerWaalsContact C-N 3.32Å |
| 115 | Y | 51.9 | Low | 57.4 | Low | 196 Ų | 196 | 115.9 Ų | 115.9 | 77% | 0.769 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -102.8 | -6.9 | 177.5 | -72.1 | -71.3 | 0 | 0 | 0 | 114.1 | I111 Q112 | I111-Y115 HydrophobicContact CG2-CD2 3.87Å; I111-Y115 HydrophobicContact CG2-CE2 3.9Å; I111-Y115 WeakPolarHBondContact O-CD2 3.26Å; I111-Y115 PolarHBondContact O-N 2.73Å; Q112-Y115 PolarHBondContact O-N 2.72Å |
| 116 | S | 49.7 | Very low | 56 | Low | 98 Ų | 98 | 118.3 Ų | 118.3 | 69% | 0.685 | 65% | 0.651 | S | S | * | * | trans | -103.7 | 70.1 | 167.2 | -70.1 | 0 | 0 | 0 | 0 | 111 | Q112 | Q112-S116 PolarHBondContact O-N 2.71Š| ||
| 117 | S | 44.1 | Very low | 55 | Low | 85 Ų | 85 | 119.5 Ų | 119.5 | 59% | 0.594 | 66% | 0.657 | S | S | * | * | trans | -129.2 | 92.2 | 154.3 | -167.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 118 | P | 59.4 | Low | 54.3 | Low | 118 Ų | 118 | 121.6 Ų | 121.6 | 77% | 0.766 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -81.2 | 117.4 | 143.9 | 31.6 | -20.2 | 0 | 0 | 0 | 106.7 | ||
| 119 | D | 50.2 | Low | 53.5 | Low | 139 Ų | 139 | 123.8 Ų | 123.8 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | 64.9 | 79.3 | 160.5 | -164.1 | 21.8 | 0 | 0 | 0 | 116.9 | S121 | D119-S121 PolarHBondContact O-N 2.63Å; D119-S121 PolarHBondContact OD1-N 2.85Å | ||
| 120 | S | 49.3 | Very low | 53.1 | Low | 114 Ų | 114 | 124.7 Ų | 124.7 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | -90.6 | 69.9 | 155.4 | -170.4 | 0 | 0 | 0 | 0 | 110.1 | L122 | S120-L122 PolarHBondContact O-N 2.64Š| ||
| 121 | S | 52.2 | Low | 52.8 | Low | 69 Ų | 69 | 124.8 Ų | 124.8 | 48% | 0.483 | 72% | 0.719 | S | S | . | * | trans | -36.4 | 121.2 | 153.7 | -178.9 | 0 | 0 | 0 | 0 | 113 | D119 | D119-S121 PolarHBondContact O-N 2.63Å; D119-S121 PolarHBondContact OD1-N 2.85Å | ||
| 122 | L | 49.3 | Very low | 52.5 | Low | 123 Ų | 123 | 124.9 Ų | 124.9 | 64% | 0.644 | 73% | 0.729 | S | S | * | * | trans | 72.3 | 115.7 | 143.7 | -58.7 | 170.2 | 0 | 0 | 0 | 120.8 | S120 | S120-L122 PolarHBondContact O-N 2.64Š| ||
| 123 | Y | 48.3 | Very low | 52.1 | Low | 235 Ų | 235 | 122.4 Ų | 122.4 | 92% | 0.922 | 73% | 0.733 | S | S | * | * | -138.5 | 93.2 | 115.2 | -100.7 | -86.4 | 0 | 0 | 0 | 108.9 | |||||
| 124 | T | 59.7 | Low | 51.6 | Low | 105 Ų | 105 | 127.7 Ų | 127.7 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | trans | -108.5 | 124.1 | 163.7 | 55.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 125 | N | 52.4 | Low | 52 | Low | 123 Ų | 123 | 128.6 Ų | 128.6 | 66% | 0.658 | 75% | 0.754 | S | S | * | * | trans | -65 | 154.7 | 167.9 | -94.9 | 7.7 | 0 | 0 | 0 | 109.3 | K127 | N125-K127 CarbonylContact O-C 3.43Å; N125-K127 PolarHBondContact O-N 2.86Å | ||
| 126 | P | 55.6 | Low | 52 | Low | 135 Ų | 135 | 121.8 Ų | 121.8 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -63.3 | 8.1 | -178.8 | 24.7 | -33.9 | 0 | 0 | 0 | 115.1 | ||
| 127 | K | 56.5 | Low | 51.6 | Low | 185 Ų | 185 | 119.8 Ų | 119.8 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -122.8 | 93.5 | 168.3 | -60.8 | -163.7 | 178.6 | -172.9 | 0 | 106.3 | N125 S129 | N125-K127 CarbonylContact O-C 3.43Å; N125-K127 PolarHBondContact O-N 2.86Å; K127-S129 VanDerWaalsContact C-N 3.28Å; K127-S129 PolarHBondContact O-N 2.67Å |
| 128 | G | 54 | Low | 52 | Low | 84 Ų | 84 | 121.5 Ų | 121.5 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | trans | -58.4 | 74.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 129 | S | 48.8 | Very low | 51.3 | Low | 105 Ų | 105 | 122.6 Ų | 122.6 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -115.6 | 120.5 | 171.9 | -154.8 | 0 | 0 | 0 | 0 | 108.7 | K127 V131 | K127-S129 VanDerWaalsContact C-N 3.28Å; K127-S129 PolarHBondContact O-N 2.67Å; S129-V131 PolarHBondContact O-N 2.84Å | ||
| 130 | A | 52.2 | Low | 51.2 | Low | 95 Ų | 95 | 121.3 Ų | 121.3 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -64.3 | 127.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 131 | V | 52.4 | Low | 51.2 | Low | 145 Ų | 145 | 121.4 Ų | 121.4 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -89.2 | 101.8 | 169.5 | -73.2 | 0 | 0 | 0 | 0 | 108.3 | S129 | S129-V131 PolarHBondContact O-N 2.84Š| ||
| 132 | S | 50.3 | Low | 51.1 | Low | 108 Ų | 108 | 124.1 Ų | 124.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -91.9 | 132.5 | 175.9 | 49.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 133 | A | 48.3 | Very low | 51.1 | Low | 90 Ų | 90 | 127.5 Ų | 127.5 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | 56.5 | 105.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | D135 | A133-D135 PolarHBondContact O-N 2.97Š| ||
| 134 | F | 45 | Very low | 51.1 | Low | 198 Ų | 198 | 122 Ų | 122 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -76.5 | 100 | 144.1 | 175.1 | -103.6 | 0 | 0 | 0 | 107.5 | ||||
| 135 | D | 62.1 | Low | 50.7 | Low | 151 Ų | 151 | 125.9 Ų | 125.9 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -86.9 | 101 | 164.6 | 179.7 | 50.2 | 0 | 0 | 0 | 107.3 | A133 | A133-D135 PolarHBondContact O-N 2.97Š| ||
| 136 | G | 51.8 | Low | 50.5 | Low | 52 Ų | 52 | 124.9 Ų | 124.9 | 54% | 0.536 | 80% | 0.798 | S | S | . | * | trans | -122.1 | 78 | 176 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 137 | G | 41.1 | Very low | 50.3 | Low | 56 Ų | 56 | 127 Ų | 127 | 58% | 0.577 | 80% | 0.796 | S | S | * | * | trans | -69.5 | 153.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 138 | S | 53 | Low | 50.4 | Low | 121 Ų | 121 | 126.6 Ų | 126.6 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | 54.5 | 152.6 | 145 | -54.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 139 | D | 45.3 | Very low | 50.5 | Low | 142 Ų | 142 | 127.5 Ų | 127.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | cis | -168 | 158.2 | 4 | 47 | 1.5 | 0 | 0 | 0 | 105.4 | ||||
| 140 | S | 48.5 | Very low | 51 | Low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 171.6 | 104.8 | 144.2 | -93.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 141 | S | 48.4 | Very low | 50.9 | Low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 25.9 | 123.7 | 137.1 | -56.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 142 | S | 49.1 | Very low | 51.3 | Low | 126 Ų | 126 | 134.9 Ų | 134.9 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | trans | -59.7 | 130.7 | 152.4 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 143 | E | 50.1 | Low | 51.8 | Low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | -121.2 | 124.2 | 156 | -103.2 | -175.6 | 110.9 | 0 | 0 | 109.6 | ||||
| 144 | S | 48.4 | Very low | 52.2 | Low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -90.1 | 116.7 | 174.4 | 43.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 145 | E | 50.3 | Low | 52.4 | Low | 186 Ų | 186 | 142.8 Ų | 142.8 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -88.5 | 125.6 | 169.2 | -68.8 | -154.6 | 130.6 | 0 | 0 | 111.1 | ||||
| 146 | A | 49.2 | Very low | 51.8 | Low | 102 Ų | 102 | 145.2 Ų | 145.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -94.9 | 114.6 | 165 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 147 | E | 51.1 | Low | 52 | Low | 179 Ų | 179 | 151 Ų | 151 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -82.3 | 111.8 | 173.6 | -92.9 | -92.1 | 147.4 | 0 | 0 | 110.1 | ||||
| 148 | E | 58.2 | Low | 52.3 | Low | 177 Ų | 177 | 155 Ų | 155 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -90 | 144.3 | 165.7 | -131.9 | -156.9 | 139.6 | 0 | 0 | 109.7 | ||
| 149 | P | 56.3 | Low | 52 | Low | 104 Ų | 104 | 153.4 Ų | 153.4 | 68% | 0.675 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -82 | 147.1 | -171.4 | 32 | -31.2 | 0 | 0 | 0 | 113 | T151 | P149-T151 PolarHBondContact O-N 2.95Š|
| 150 | P | 60.4 | Low | 52.5 | Low | 120 Ų | 120 | 156.1 Ų | 156.1 | 78% | 0.779 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 122.6 | -178.2 | 27.8 | -33 | 0 | 0 | 0 | 112.9 | R152 | P150-R152 PolarHBondContact O-N 3.1Š|
| 151 | T | 49.1 | Very low | 52.7 | Low | 131 Ų | 131 | 158.4 Ų | 158.4 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 116.1 | 167.1 | 50.6 | 0 | 0 | 0 | 0 | 110.6 | P149 | P149-T151 PolarHBondContact O-N 2.95Š|
| 152 | R | 61.6 | Low | 52.9 | Low | 248 Ų | 248 | 160.5 Ų | 160.5 | 94% | 0.936 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 117.3 | 169.8 | -80.5 | -173.7 | 166.2 | 178.6 | -2.5 | 111.3 | P150 | P150-R152 PolarHBondContact O-N 3.1Š|
| 153 | K | 59.6 | Low | 53.1 | Low | 199 Ų | 199 | 162.4 Ų | 162.4 | 87% | 0.865 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 138.7 | 177.8 | -67.6 | 174 | 177 | 174.6 | 0 | 111.7 | ||
| 154 | K | 56.5 | Low | 53.3 | Low | 210 Ų | 210 | 160.6 Ų | 160.6 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 129.3 | 168 | -70.9 | 179 | 174.3 | -179.7 | 0 | 110.1 | ||
| 155 | L | 50.3 | Low | 53.6 | Low | 154 Ų | 154 | 163.2 Ų | 163.2 | 81% | 0.806 | 85% | 0.846 | S | S | * | * | trans | -102.4 | 115.8 | 160.7 | -143.1 | 95 | 0 | 0 | 0 | 108.2 | M157 | L155-M157 HydrophobicContact CD2-CE 4.18Š| ||
| 156 | R | 49.9 | Very low | 53.8 | Low | 202 Ų | 202 | 161.7 Ų | 161.7 | 76% | 0.762 | 84% | 0.844 | S | S | * | * | trans | -86.4 | 124 | 169.2 | 176.5 | 167.8 | 178.5 | 166.4 | -4.4 | 107 | E158 | R156-E158 HydrophobicContact CG-CG 4.42Å; R156-E158 IonicContact CZ-OE1 3.63Å; R156-E158 VanDerWaalsContact CZ-OE1 3.27Å; R156-E158 IonicContact NE-OE1 2.9Å; R156-E158 PolarHBondContact NE-OE1 3.22Å; R156-E158 IonicContact NH2-OE1 2.89Å; R156-E158 PolarHBondContact NH2-OE1 3.49Å | ||
| 157 | M | 54.9 | Low | 54.1 | Low | 172 Ų | 172 | 165.9 Ų | 165.9 | 85% | 0.847 | 84% | 0.844 | S | S | * | * | trans | -111.9 | 113.5 | 163.5 | -88.6 | 178.4 | 171.4 | 0 | 0 | 107.9 | L155 | L155-M157 HydrophobicContact CD2-CE 4.18Š| ||
| 158 | E | 47.1 | Very low | 54.4 | Low | 142 Ų | 142 | 164.9 Ų | 164.9 | 66% | 0.664 | 85% | 0.845 | S | S | * | * | trans | -79.5 | 165.7 | 166.6 | -75.6 | -78.9 | 152 | 0 | 0 | 110.2 | R156 | R156-E158 HydrophobicContact CG-CG 4.42Å; R156-E158 IonicContact CZ-OE1 3.63Å; R156-E158 VanDerWaalsContact CZ-OE1 3.27Å; R156-E158 IonicContact NE-OE1 2.9Å; R156-E158 PolarHBondContact NE-OE1 3.22Å; R156-E158 IonicContact NH2-OE1 2.89Å; R156-E158 PolarHBondContact NH2-OE1 3.49Å | ||
| 159 | A | 46.7 | Very low | 54 | Low | 87 Ų | 87 | 163.9 Ų | 163.9 | 72% | 0.719 | 85% | 0.846 | S | S | * | * | trans | -68.2 | 160.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 160 | S | 56 | Low | 53.8 | Low | 198 Ų | 198 | 169.4 Ų | 169.4 | 100% | 1.385 | 86% | 0.862 | S | S | * | * | trans | -151.2 | 0 | 133 | -76 | 0 | 0 | 0 | 0 | 109 |
Retrieved 160 of 160 residues in 266.6 ms
(Link to these results)