| 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 | 62.5 | Low | 90.6 | Very high | 245 Ų | 245 | 165.5 Ų | 165.5 | 100% | 1.207 | 82% | 0.823 | S | S | * | * | 0 | 133.4 | 0 | -156 | -178.9 | -71.3 | 0 | 0 | 107.8 | |||||
| 2 | K | 80 | Confident | 90.9 | Very high | 199 Ų | 199 | 159.9 Ų | 159.9 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | trans | -118.1 | 111.6 | -170.8 | -139.2 | 176.1 | -176.8 | 175.4 | 0 | 109.5 | ||||
| 3 | V | 91.4 | Very high | 90.7 | Very high | 135 Ų | 135 | 155.3 Ų | 155.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -91 | 139.3 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 4 | K | 94 | Very high | 90.3 | Very high | 183 Ų | 183 | 155.4 Ų | 155.4 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -118.8 | 128.1 | 175.8 | -65 | -175.5 | -179.7 | -178.1 | 0 | 109.8 | ||||
| 5 | I | 94.1 | Very high | 89.9 | Confident | 146 Ų | 146 | 153.5 Ų | 153.5 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -74.6 | 126.5 | 170.6 | -60.7 | -175 | 0 | 0 | 0 | 107.9 | Q7 | I5-Q7 WeakPolarHBondContact CG2-O 3.01Š| ||
| 6 | K | 95.9 | Very high | 89.5 | Confident | 210 Ų | 210 | 150.4 Ų | 150.4 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | trans | -89 | -34.4 | 179.6 | -68.7 | -176.1 | 177.2 | -179.4 | 0 | 112.7 | ||||
| 7 | Q | 95.3 | Very high | 89.2 | Confident | 147 Ų | 147 | 152 Ų | 152 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | trans | -154.8 | 142.1 | -177.5 | -175.6 | 174.7 | -17.5 | 0 | 0 | 109.5 | I5 N9 | I5-Q7 WeakPolarHBondContact CG2-O 3.01Å; Q7-N9 PolarHBondContact NE2-OD1 2.84Å; Q7-N9 VanDerWaalsContact NE2-OD1 3.16Å | ||
| 8 | W | 96.3 | Very high | 88.9 | Confident | 219 Ų | 219 | 145.1 Ų | 145.1 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | -132.3 | 121.2 | 173.1 | -178.6 | 17.3 | 0 | 0 | 0 | 109.5 | ||||
| 9 | N | 95.6 | Very high | 88.6 | Confident | 130 Ų | 130 | 143.9 Ų | 143.9 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | trans | -101.4 | 101.9 | 169.9 | -56.5 | -40.4 | 0 | 0 | 0 | 107.7 | Q7 | Q7-N9 PolarHBondContact NE2-OD1 2.84Å; Q7-N9 VanDerWaalsContact NE2-OD1 3.16Å | ||
| 10 | G | 95.7 | Very high | 88.4 | Confident | 58 Ų | 58 | 141.7 Ų | 141.7 | 60% | 0.598 | 73% | 0.726 | S | S | * | * | trans | -83.5 | 150.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 11 | V | 96 | Very high | 88.3 | Confident | 148 Ų | 148 | 142.5 Ų | 142.5 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | trans | -127.3 | 141.2 | 167.9 | 178 | 0 | 0 | 0 | 0 | 107 | ||||
| 12 | A | 93.8 | Very high | 89.8 | Confident | 99 Ų | 99 | 134.3 Ų | 134.3 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -137.9 | 151 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 13 | S | 88 | Confident | 90.4 | Very high | 100 Ų | 100 | 124.9 Ų | 124.9 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | trans | -111 | 141.9 | 163.1 | 55.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 14 | W | 85.3 | Confident | 90.5 | Very high | 157 Ų | 157 | 119.3 Ų | 119.3 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | trans | -75.7 | 152 | 171.6 | 63.5 | -93.8 | 0 | 0 | 0 | 109.5 | W16 N31 | W14-W16 AromaticContact CH2-CD1 3.98Å; W14-W16 HydrophobicContact CH2-CD2 4.48Å; W14-W16 AromaticContact CH2-CE2 3.62Å; W14-W16 AromaticContact CH2-CZ2 3.87Å; W14-W16 HydrophobicContact CH2-CZ2 3.87Å; W14-W16 AromaticContact CH2-NE1 3.32Å; W14-W16 VanDerWaalsContact CH2-NE1 3.32Å; W14-W16 AromaticContact CZ3-CD1 3.43Å; W14-W16 VanDerWaalsContact CZ3-CD1 3.43Å; W14-W16 AromaticContact CZ3-CD2 3.71Å; W14-W16 HydrophobicContact CZ3-CD2 3.71Å; W14-W16 AromaticContact CZ3-CE2 3.27Å; W14-W16 AromaticContact CZ3-CG 3.83Å; W14-W16 HydrophobicContact CZ3-CG 3.83Å; W14-W16 AromaticContact CZ3-CZ2 3.8Å; W14-W16 HydrophobicContact CZ3-CZ2 3.8Å; W14-W16 AromaticContact CZ3-NE1 3.14Å; W14-N31 WeakPolarHBondContact CZ3-OD1 3.43Å | ||
| 15 | L | 84.1 | Confident | 90.6 | Very high | 126 Ų | 126 | 113.1 Ų | 113.1 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | trans | -135.5 | 144.9 | 175.2 | -69 | 172.5 | 0 | 0 | 0 | 108.5 | ||||
| 16 | W | 84.6 | Confident | 90.6 | Very high | 104 Ų | 104 | 107.5 Ų | 107.5 | 39% | 0.394 | 57% | 0.565 | S | S | . | * | trans | -72.1 | 133.7 | 171.6 | -66.6 | 112.7 | 0 | 0 | 0 | 110.8 | W14 A18 F30 L46 W48 | W14-W16 AromaticContact CH2-CD1 3.98Å; W14-W16 HydrophobicContact CH2-CD2 4.48Å; W14-W16 AromaticContact CH2-CE2 3.62Å; W14-W16 AromaticContact CH2-CZ2 3.87Å; W14-W16 HydrophobicContact CH2-CZ2 3.87Å; W14-W16 AromaticContact CH2-NE1 3.32Å; W14-W16 VanDerWaalsContact CH2-NE1 3.32Å; W14-W16 AromaticContact CZ3-CD1 3.43Å; W14-W16 VanDerWaalsContact CZ3-CD1 3.43Å; W14-W16 AromaticContact CZ3-CD2 3.71Å; W14-W16 HydrophobicContact CZ3-CD2 3.71Å; W14-W16 AromaticContact CZ3-CE2 3.27Å; W14-W16 AromaticContact CZ3-CG 3.83Å; W14-W16 HydrophobicContact CZ3-CG 3.83Å; W14-W16 AromaticContact CZ3-CZ2 3.8Å; W14-W16 HydrophobicContact CZ3-CZ2 3.8Å; W14-W16 AromaticContact CZ3-NE1 3.14Å; W16-A18 VanDerWaalsContact C-N 3.29Å; W16-A18 PolarHBondContact O-N 3.21Å; W16-A18 VanDerWaalsContact O-N 3.09Å; W16-F30 HydrophobicContact CB-CB 4.46Å; W16-F30 VanDerWaalsContact CD1-C 3.46Å; W16-F30 HydrophobicContact CG-CB 4.1Å; W16-F30 PolarHBondContact NE1-O 3.32Å; W16-L46 HydrophobicContact CB-CD1 4.04Å; W16-L46 HydrophobicContact CD2-CD1 3.25Å; W16-L46 HydrophobicContact CD2-CG 4.11Å; W16-L46 VanDerWaalsContact CE2-CD1 3.45Å; W16-L46 HydrophobicContact CE3-CD1 3.72Å; W16-L46 HydrophobicContact CE3-CG 4.42Å; W16-L46 HydrophobicContact CG-CD1 3.4Å; W16-L46 VanDerWaalsContact CG-CD1 3.4Å; W16-L46 HydrophobicContact CH2-CG 4.41Å; W16-L46 HydrophobicContact CZ2-CD1 4.11Å; W16-L46 HydrophobicContact CZ2-CG 4.07Å; W16-L46 HydrophobicContact CZ3-CD1 4.32Å; W16-W48 HydrophobicContact CE3-CH2 4.27Å; W16-W48 HydrophobicContact CZ3-CH2 4.31Å | ||
| 17 | M | 83.9 | Confident | 90.5 | Very high | 178 Ų | 178 | 106.5 Ų | 106.5 | 88% | 0.877 | 56% | 0.556 | S | S | * | * | trans | -82.9 | 77.3 | 168.5 | -64 | -164.5 | -60.9 | 0 | 0 | 109.5 | ||||
| 18 | A | 84.3 | Confident | 90.3 | Very high | 27 Ų | 27 | 103.8 Ų | 103.8 | 22% | 0.223 | 54% | 0.544 | C | S | . | . | trans | -120 | 160.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | W16 D20 F30 C54 | W16-A18 VanDerWaalsContact C-N 3.29Å; W16-A18 PolarHBondContact O-N 3.21Å; W16-A18 VanDerWaalsContact O-N 3.09Å; A18-D20 WeakPolarHBondContact CB-O 3.28Å; A18-D20 PolarHBondContact O-N 2.81Å; A18-F30 HydrophobicContact CB-CD2 4.05Å; A18-F30 HydrophobicContact CB-CE2 3.83Å; A18-C54 HydrophobicContact CB-CB 3.97Å | ||
| 19 | N | 81.9 | Confident | 90.1 | Very high | 124 Ų | 124 | 95.5 Ų | 95.5 | 66% | 0.663 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -64.8 | -27.9 | 177 | -73.9 | -6.4 | 0 | 0 | 0 | 112.5 | ||
| 20 | D | 85.3 | Confident | 89.8 | Confident | 99 Ų | 99 | 89.7 Ų | 89.7 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -126.4 | 163.1 | 178.2 | -78.3 | -43.6 | 0 | 0 | 0 | 110.3 | A18 F30 | A18-D20 WeakPolarHBondContact CB-O 3.28Å; A18-D20 PolarHBondContact O-N 2.81Å; D20-F30 VanDerWaalsContact O-CD2 3.26Å; D20-F30 WeakPolarHBondContact O-CD2 3.31Å; D20-F30 WeakPolarHBondContact O-CE2 3.33Å |
| 21 | E | 87.3 | Confident | 89.4 | Confident | 158 Ų | 158 | 90.4 Ų | 90.4 | 74% | 0.738 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -88.4 | -13.3 | 175.1 | -62.2 | -173.6 | 169.5 | 0 | 0 | 113.3 | S29 F30 | E21-S29 WeakPolarHBondContact O-CA 3.47Å; E21-F30 VanDerWaalsContact C-CD2 3.47Å; E21-F30 WeakPolarHBondContact O-CD2 3.46Å; E21-F30 PolarHBondContact O-N 2.86Å |
| 22 | N | 92.8 | Very high | 88.9 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 39% | 0.39 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -125.9 | 147.4 | -173.6 | -63.9 | 73.2 | 0 | 0 | 0 | 111.6 | G24 R27 M28 S29 F30 | N22-G24 PolarHBondContact O-N 2.85Å; N22-R27 PolarHBondContact ND2-O 2.9Å; N22-M28 WeakPolarHBondContact CA-O 3.31Å; N22-S29 PolarHBondContact ND2-N 3.28Å; N22-F30 WeakPolarHBondContact O-CE2 3.41Å; N22-F30 WeakPolarHBondContact O-CZ 3.44Å |
| 23 | C | 93.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 81.4 Ų | 81.4 | 1% | 0.007 | 42% | 0.42 | C | S | . | . | trans | -68.1 | 124.1 | 172.2 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | I25 C26 R27 M28 F30 H56 | C23-I25 PolarHBondContact O-N 2.99Å; C23-I25 VanDerWaalsContact O-N 3.1Å; C23-C26 VanDerWaalsContact CB-SG 3.57Å; C23-R27 WeakPolarHBondContact O-CA 3.34Å; C23-R27 PolarHBondContact O-N 3.48Å; C23-M28 PolarHBondContact N-O 3.11Å; C23-F30 VanDerWaalsContact CA-CE1 3.45Å; C23-F30 HydrophobicContact CB-CD1 4.22Å; C23-F30 HydrophobicContact CB-CE1 3.64Å; C23-F30 HydrophobicContact CB-CZ 4.32Å; C23-H56 VanDerWaalsContact CB-ND1 3.34Å; C23-H56 WeakPolarHBondContact CB-ND1 3.3Å | ||
| 24 | G | 92.9 | Very high | 88.8 | Confident | 19 Ų | 19 | 76.7 Ų | 76.7 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N22 R27 | N22-G24 PolarHBondContact O-N 2.85Å; G24-R27 PolarHBondContact O-NE 3.41Å |
| 25 | I | 94.8 | Very high | 89 | Confident | 53 Ų | 53 | 73.7 Ų | 73.7 | 27% | 0.272 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -60.6 | 179.9 | -59.1 | 168.7 | 0 | 0 | 0 | 111.1 | C23 F55 C59 I60 W63 P74 | C23-I25 PolarHBondContact O-N 2.99Å; C23-I25 VanDerWaalsContact O-N 3.1Å; I25-F55 HydrophobicContact CD1-CB 4.28Å; I25-F55 HydrophobicContact CD1-CD1 3.74Å; I25-F55 HydrophobicContact CD1-CE1 4.23Å; I25-F55 HydrophobicContact CD1-CG 3.95Å; I25-F55 HydrophobicContact CG1-CD1 3.7Å; I25-F55 HydrophobicContact CG1-CE1 3.91Å; I25-F55 HydrophobicContact CG1-CG 4.42Å; I25-C59 HydrophobicContact CB-CB 3.9Å; I25-C59 HydrophobicContact CD1-CB 3.88Å; I25-C59 HydrophobicContact CG1-CB 4.49Å; I25-C59 HydrophobicContact CG2-CB 3.9Å; I25-I60 HydrophobicContact CD1-CB 4.32Å; I25-I60 HydrophobicContact CD1-CD1 4.2Å; I25-W63 HydrophobicContact CD1-CB 4.19Å; I25-P74 HydrophobicContact CD1-CG 3.86Å; I25-P74 HydrophobicContact CG1-CB 4.41Å; I25-P74 HydrophobicContact CG1-CG 3.89Å |
| 26 | C | 94.5 | Very high | 89.1 | Confident | 28 Ų | 28 | 72.8 Ų | 72.8 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -6.1 | -176.2 | 68.1 | 0 | 0 | 0 | 0 | 114.5 | C23 M28 P35 H56 | C23-C26 VanDerWaalsContact CB-SG 3.57Å; C26-M28 HydrophobicContact CB-CG 4.48Å; C26-M28 PolarHBondContact O-N 2.87Å; C26-P35 HydrophobicContact CB-CG 4.09Å; C26-H56 PolarHBondContact SG-ND1 2.93Å |
| 27 | R | 93.6 | Very high | 89.2 | Confident | 188 Ų | 188 | 68.8 Ų | 68.8 | 71% | 0.709 | 37% | 0.372 | S | S | * | . | trans | 62.5 | 1.1 | -179.4 | -52.1 | -61.1 | -176.4 | 146.3 | -0.2 | 115.8 | N22 C23 G24 | N22-R27 PolarHBondContact ND2-O 2.9Å; C23-R27 WeakPolarHBondContact O-CA 3.34Å; C23-R27 PolarHBondContact O-N 3.48Å; G24-R27 PolarHBondContact O-NE 3.41Å | ||
| 28 | M | 92.4 | Very high | 88.9 | Confident | 90 Ų | 90 | 70.1 Ų | 70.1 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | trans | -73 | 151.2 | 173.4 | -59.9 | -56.8 | -68.6 | 0 | 0 | 111.7 | N22 C23 C26 P35 | N22-M28 WeakPolarHBondContact CA-O 3.31Å; C23-M28 PolarHBondContact N-O 3.11Å; C26-M28 HydrophobicContact CB-CG 4.48Å; C26-M28 PolarHBondContact O-N 2.87Å; M28-P35 HydrophobicContact CG-CG 4.23Å | ||
| 29 | S | 91 | Very high | 88.4 | Confident | 45 Ų | 45 | 73.3 Ų | 73.3 | 32% | 0.315 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 143.1 | 173 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | E21 N22 N31 G32 | E21-S29 WeakPolarHBondContact O-CA 3.47Å; N22-S29 PolarHBondContact ND2-N 3.28Å; S29-N31 PolarHBondContact O-N 3.14Å; S29-N31 PolarHBondContact OG-N 3.48Å; S29-G32 PolarHBondContact O-N 3.35Å |
| 30 | F | 89.9 | Confident | 87.8 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.035 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23 | 174.2 | -70.9 | -45.6 | 0 | 0 | 0 | 113.6 | W16 A18 D20 E21 N22 C23 G32 L46 C54 H56 | W16-F30 HydrophobicContact CB-CB 4.46Å; W16-F30 VanDerWaalsContact CD1-C 3.46Å; W16-F30 HydrophobicContact CG-CB 4.1Å; W16-F30 PolarHBondContact NE1-O 3.32Å; A18-F30 HydrophobicContact CB-CD2 4.05Å; A18-F30 HydrophobicContact CB-CE2 3.83Å; D20-F30 VanDerWaalsContact O-CD2 3.26Å; D20-F30 WeakPolarHBondContact O-CD2 3.31Å; D20-F30 WeakPolarHBondContact O-CE2 3.33Å; E21-F30 VanDerWaalsContact C-CD2 3.47Å; E21-F30 WeakPolarHBondContact O-CD2 3.46Å; E21-F30 PolarHBondContact O-N 2.86Å; N22-F30 WeakPolarHBondContact O-CE2 3.41Å; N22-F30 WeakPolarHBondContact O-CZ 3.44Å; C23-F30 VanDerWaalsContact CA-CE1 3.45Å; C23-F30 HydrophobicContact CB-CD1 4.22Å; C23-F30 HydrophobicContact CB-CE1 3.64Å; C23-F30 HydrophobicContact CB-CZ 4.32Å; F30-G32 PolarHBondContact O-N 2.74Å; F30-L46 HydrophobicContact CB-CD1 3.86Å; F30-L46 HydrophobicContact CB-CD2 4.36Å; F30-L46 HydrophobicContact CD1-CD1 3.92Å; F30-L46 HydrophobicContact CD1-CD2 3.45Å; F30-L46 VanDerWaalsContact CD1-CD2 3.45Å; F30-L46 HydrophobicContact CD1-CG 4.36Å; F30-L46 HydrophobicContact CE1-CD2 4.05Å; F30-L46 HydrophobicContact CG-CD1 3.9Å; F30-L46 HydrophobicContact CG-CD2 4.21Å; F30-C54 HydrophobicContact CE2-CB 4.41Å; F30-C54 HydrophobicContact CZ-CB 4.03Å; F30-C54 WeakPolarHBondContact CZ-O 3.5Å; F30-H56 AromaticContact CD1-NE2 3.92Å |
| 31 | N | 86.6 | Confident | 87 | Confident | 74 Ų | 74 | 68.9 Ų | 68.9 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -10.3 | 173.9 | -65.7 | -28.5 | 0 | 0 | 0 | 112.7 | W14 S29 | W14-N31 WeakPolarHBondContact CZ3-OD1 3.43Å; S29-N31 PolarHBondContact O-N 3.14Å; S29-N31 PolarHBondContact OG-N 3.48Å |
| 32 | G | 86.3 | Confident | 86.2 | Confident | 32 Ų | 32 | 69.1 Ų | 69.1 | 33% | 0.33 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -103.5 | -167 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S29 F30 | S29-G32 PolarHBondContact O-N 3.35Å; F30-G32 PolarHBondContact O-N 2.74Å |
| 33 | C | 87.6 | Confident | 85.3 | Confident | 25 Ų | 25 | 71.1 Ų | 71.1 | 17% | 0.169 | 40% | 0.398 | C | S | . | . | trans | -107.8 | 158.7 | 173 | 62 | 0 | 0 | 0 | 0 | 110.6 | C37 P40 | C33-C37 HydrophobicContact CB-CB 3.78Å; C33-C37 PolarHBondContact SG-O 2.98Å; C33-P40 HydrophobicContact CB-CB 4.36Å | ||
| 34 | C | 91.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.007 | 40% | 0.402 | C | S | . | . | trans | -68.5 | 162.3 | 172.7 | 75.9 | 0 | 0 | 0 | 0 | 111.4 | D36 C37 C44 H56 | C34-D36 PolarHBondContact O-N 3.14Å; C34-C37 PolarHBondContact O-N 2.9Å; C34-C37 PolarHBondContact SG-SG 3.04Å; C34-C44 PolarHBondContact SG-SG 3.24Å; C34-H56 HydrophobicContact CB-CB 4.16Å | ||
| 35 | P | 89.4 | Confident | 84.7 | Confident | 94 Ų | 94 | 73.3 Ų | 73.3 | 61% | 0.61 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25 | -177.7 | -26.2 | 35.1 | 0 | 0 | 0 | 115.5 | C26 M28 C37 | C26-P35 HydrophobicContact CB-CG 4.09Å; M28-P35 HydrophobicContact CG-CG 4.23Å; P35-C37 VanDerWaalsContact C-N 3.29Å |
| 36 | D | 86.4 | Confident | 84.5 | Confident | 108 Ų | 108 | 71.4 Ų | 71.4 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -6.3 | 179.4 | -65.5 | -23.8 | 0 | 0 | 0 | 112.1 | C34 K62 | C34-D36 PolarHBondContact O-N 3.14Å; D36-K62 IonicContact OD1-NZ 2.99Å; D36-K62 IonicContact OD2-NZ 3.88Å; D36-K62 PolarHBondContact OD2-NZ 3Å |
| 37 | C | 87.8 | Confident | 84.4 | Confident | 19 Ų | 19 | 70.9 Ų | 70.9 | 13% | 0.128 | 40% | 0.395 | C | S | . | . | trans | -111.7 | 142.3 | 178.7 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | C33 C34 P35 C44 H58 | C33-C37 HydrophobicContact CB-CB 3.78Å; C33-C37 PolarHBondContact SG-O 2.98Å; C34-C37 PolarHBondContact O-N 2.9Å; C34-C37 PolarHBondContact SG-SG 3.04Å; P35-C37 VanDerWaalsContact C-N 3.29Å; C37-C44 HydrophobicContact CB-CB 4.32Å; C37-H58 VanDerWaalsContact SG-CE1 3.57Å; C37-H58 PolarHBondContact SG-ND1 3.07Å | ||
| 38 | K | 77.8 | Confident | 84.5 | Confident | 207 Ų | 207 | 65.7 Ų | 65.7 | 90% | 0.9 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -93 | -30.6 | 177.3 | -88.1 | -174.7 | 175.1 | -179.6 | 0 | 114.1 | ||
| 39 | V | 72.9 | Confident | 84.6 | Confident | 93 Ų | 93 | 61.4 Ų | 61.4 | 56% | 0.564 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -126.3 | 129.6 | -172.5 | -167.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 40 | P | 69 | Low | 84.8 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 53% | 0.532 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -68.2 | 146.8 | 170.9 | 29.6 | -33.4 | 0 | 0 | 0 | 110.4 | C33 | C33-P40 HydrophobicContact CB-CB 4.36Š|
| 41 | G | 69 | Low | 85 | Confident | 49 Ų | 49 | 66.4 Ų | 66.4 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 139 | -147.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D43 C44 | G41-D43 PolarHBondContact O-N 3.16Å; G41-D43 VanDerWaalsContact O-N 3.09Å; G41-C44 PolarHBondContact O-N 3.42Å; G41-C44 VanDerWaalsContact O-N 3.14Å |
| 42 | D | 71.6 | Confident | 85.3 | Confident | 163 Ų | 163 | 65.8 Ų | 65.8 | 87% | 0.872 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20 | -174.2 | -65.8 | -19.5 | 0 | 0 | 0 | 114 | C44 | D42-C44 VanDerWaalsContact C-N 3.29Å; D42-C44 PolarHBondContact O-N 2.84Å |
| 43 | D | 73.7 | Confident | 85.7 | Confident | 114 Ų | 114 | 66.3 Ų | 66.3 | 61% | 0.61 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -15.2 | 178.9 | -70 | -22.6 | 0 | 0 | 0 | 113.3 | G41 H58 | G41-D43 PolarHBondContact O-N 3.16Å; G41-D43 VanDerWaalsContact O-N 3.09Å; D43-H58 PolarHBondContact O-CE1 3.08Å; D43-H58 PolarHBondContact O-ND1 3.05Å |
| 44 | C | 84 | Confident | 86 | Confident | 11 Ų | 11 | 65.7 Ų | 65.7 | 7% | 0.074 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -141.9 | 63.4 | -177.3 | -158.4 | 0 | 0 | 0 | 0 | 112.1 | C34 C37 G41 D42 | C34-C44 PolarHBondContact SG-SG 3.24Å; C37-C44 HydrophobicContact CB-CB 4.32Å; G41-C44 PolarHBondContact O-N 3.42Å; G41-C44 VanDerWaalsContact O-N 3.14Å; D42-C44 VanDerWaalsContact C-N 3.29Å; D42-C44 PolarHBondContact O-N 2.84Å |
| 45 | P | 88.7 | Confident | 86.2 | Confident | 55 Ų | 55 | 65.8 Ų | 65.8 | 36% | 0.357 | 37% | 0.367 | S | S | . | . | trans | -66.4 | 152.8 | -178.3 | 28.2 | -33.3 | 0 | 0 | 0 | 111 | M57 | P45-M57 HydrophobicContact CG-CB 3.92Å; P45-M57 HydrophobicContact CG-CG 4.39Å; P45-M57 VanDerWaalsContact O-CB 3.32Å; P45-M57 WeakPolarHBondContact O-CB 3.42Å; P45-M57 PolarHBondContact O-N 2.89Å | ||
| 46 | L | 90.9 | Very high | 86.4 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 7% | 0.068 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 144.1 | 168.3 | -59 | -168.4 | 0 | 0 | 0 | 110.3 | W16 F30 W48 F55 H56 | W16-L46 HydrophobicContact CB-CD1 4.04Å; W16-L46 HydrophobicContact CD2-CD1 3.25Å; W16-L46 HydrophobicContact CD2-CG 4.11Å; W16-L46 VanDerWaalsContact CE2-CD1 3.45Å; W16-L46 HydrophobicContact CE3-CD1 3.72Å; W16-L46 HydrophobicContact CE3-CG 4.42Å; W16-L46 HydrophobicContact CG-CD1 3.4Å; W16-L46 VanDerWaalsContact CG-CD1 3.4Å; W16-L46 HydrophobicContact CH2-CG 4.41Å; W16-L46 HydrophobicContact CZ2-CD1 4.11Å; W16-L46 HydrophobicContact CZ2-CG 4.07Å; W16-L46 HydrophobicContact CZ3-CD1 4.32Å; F30-L46 HydrophobicContact CB-CD1 3.86Å; F30-L46 HydrophobicContact CB-CD2 4.36Å; F30-L46 HydrophobicContact CD1-CD1 3.92Å; F30-L46 HydrophobicContact CD1-CD2 3.45Å; F30-L46 VanDerWaalsContact CD1-CD2 3.45Å; F30-L46 HydrophobicContact CD1-CG 4.36Å; F30-L46 HydrophobicContact CE1-CD2 4.05Å; F30-L46 HydrophobicContact CG-CD1 3.9Å; F30-L46 HydrophobicContact CG-CD2 4.21Å; L46-W48 HydrophobicContact CB-CH2 3.74Å; L46-W48 HydrophobicContact CB-CZ2 4.27Å; L46-W48 HydrophobicContact CB-CZ3 4.01Å; L46-W48 VanDerWaalsContact O-CZ3 3.31Å; L46-W48 WeakPolarHBondContact O-CZ3 3.49Å; L46-F55 WeakPolarHBondContact CA-O 3.2Å; L46-H56 WeakPolarHBondContact CD2-CD2 3.25Å |
| 47 | V | 93.1 | Very high | 86.7 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.4 | 176.6 | -67.5 | 0 | 0 | 0 | 0 | 110.2 | C54 F55 M57 I60 F82 | V47-C54 WeakPolarHBondContact O-CA 3.31Å; V47-F55 PolarHBondContact N-O 3.49Å; V47-F55 PolarHBondContact O-N 2.65Å; V47-M57 HydrophobicContact CG1-CB 4.22Å; V47-M57 HydrophobicContact CG1-CE 3.68Å; V47-M57 HydrophobicContact CG1-SD 3.71Å; V47-M57 HydrophobicContact CG2-SD 4.34Å; V47-I60 HydrophobicContact CG2-CG2 3.49Å; V47-I60 VanDerWaalsContact CG2-CG2 3.49Å; V47-F82 HydrophobicContact CB-CD1 4.22Å; V47-F82 HydrophobicContact CB-CE1 4.26Å; V47-F82 HydrophobicContact CG1-CE1 4.47Å; V47-F82 HydrophobicContact CG2-CE1 4.12Å |
| 48 | W | 94.9 | Very high | 87 | Confident | 79 Ų | 79 | 61.6 Ų | 61.6 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138.7 | 179.4 | -66.8 | -100.2 | 0 | 0 | 0 | 109.8 | W16 L46 H53 C54 K83 | W16-W48 HydrophobicContact CE3-CH2 4.27Å; W16-W48 HydrophobicContact CZ3-CH2 4.31Å; L46-W48 HydrophobicContact CB-CH2 3.74Å; L46-W48 HydrophobicContact CB-CZ2 4.27Å; L46-W48 HydrophobicContact CB-CZ3 4.01Å; L46-W48 VanDerWaalsContact O-CZ3 3.31Å; L46-W48 WeakPolarHBondContact O-CZ3 3.49Å; W48-H53 WeakPolarHBondContact CA-O 3.43Å; W48-C54 HydrophobicContact CG-CB 4.46Å; W48-K83 HydrophobicContact CB-CB 4.13Å; W48-K83 HydrophobicContact CB-CD 4.31Å; W48-K83 WeakPolarHBondContact O-CB 3.5Å; W48-K83 PolarHBondContact O-N 3.5Å |
| 49 | G | 95.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -81.5 | 158.4 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | C51 S52 H53 W80 K81 | G49-C51 PolarHBondContact O-N 3.41Å; G49-C51 VanDerWaalsContact O-N 3.11Å; G49-S52 WeakPolarHBondContact O-CA 3.39Å; G49-S52 PolarHBondContact O-N 3.39Å; G49-H53 PolarHBondContact N-O 3.34Å; G49-W80 VanDerWaalsContact CA-CH2 3.4Å; G49-K81 CarbonylContact C-O 3.53Å; G49-K81 VanDerWaalsContact CA-O 3.31Å; G49-K81 WeakPolarHBondContact CA-O 3.45Å |
| 50 | Q | 95.1 | Very high | 88.9 | Confident | 136 Ų | 136 | 47.8 Ų | 47.8 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25.9 | 166.6 | -69.7 | -175.9 | -3 | 0 | 0 | 112.2 | S52 K81 | Q50-S52 PolarHBondContact O-N 3.08Å; Q50-K81 HydrophobicContact CB-CB 4.47Å; Q50-K81 HydrophobicContact CG-CB 3.89Å; Q50-K81 PolarHBondContact N-O 3.25Å |
| 51 | C | 94.3 | Very high | 90 | Very high | 23 Ų | 23 | 47 Ų | 47 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 9 | 172.2 | 65.2 | 0 | 0 | 0 | 0 | 114.8 | G49 H53 C73 | G49-C51 PolarHBondContact O-N 3.41Å; G49-C51 VanDerWaalsContact O-N 3.11Å; C51-H53 PolarHBondContact O-N 2.94Å; C51-H53 VanDerWaalsContact O-N 3.14Å; C51-H53 PolarHBondContact O-ND1 3.17Å; C51-H53 PolarHBondContact SG-ND1 3.35Å; C51-H53 VanDerWaalsContact SG-ND1 3.35Å; C51-C73 VanDerWaalsContact SG-SG 3.65Å |
| 52 | S | 93 | Very high | 91.2 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 66.4 | -1.2 | -178.6 | 75.4 | 0 | 0 | 0 | 0 | 117.1 | G49 Q50 | G49-S52 WeakPolarHBondContact O-CA 3.39Å; G49-S52 PolarHBondContact O-N 3.39Å; Q50-S52 PolarHBondContact O-N 3.08Å |
| 53 | H | 94.3 | Very high | 92.3 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 20% | 0.199 | 24% | 0.237 | C | C | . | . | trans | -72.8 | 139.4 | 172.8 | -65.9 | 103.5 | 0 | 0 | 0 | 111.5 | W48 G49 C51 F55 M75 W80 | W48-H53 WeakPolarHBondContact CA-O 3.43Å; G49-H53 PolarHBondContact N-O 3.34Å; C51-H53 PolarHBondContact O-N 2.94Å; C51-H53 VanDerWaalsContact O-N 3.14Å; C51-H53 PolarHBondContact O-ND1 3.17Å; C51-H53 PolarHBondContact SG-ND1 3.35Å; C51-H53 VanDerWaalsContact SG-ND1 3.35Å; H53-F55 HydrophobicContact CB-CE2 3.74Å; H53-F55 HydrophobicContact CB-CZ 4.01Å; H53-M75 WeakPolarHBondContact NE2-CB 3.47Å; H53-W80 HydrophobicContact CB-CZ3 4.49Å | ||
| 54 | C | 94.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 8% | 0.081 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 138.1 | -178.9 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | A18 F30 V47 W48 | A18-C54 HydrophobicContact CB-CB 3.97Å; F30-C54 HydrophobicContact CE2-CB 4.41Å; F30-C54 HydrophobicContact CZ-CB 4.03Å; F30-C54 WeakPolarHBondContact CZ-O 3.5Å; V47-C54 WeakPolarHBondContact O-CA 3.31Å; W48-C54 HydrophobicContact CG-CB 4.46Å |
| 55 | F | 94.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 162.5 | 174.3 | -56.7 | -75.5 | 0 | 0 | 0 | 110.5 | I25 L46 V47 H53 I60 P74 M75 W80 | I25-F55 HydrophobicContact CD1-CB 4.28Å; I25-F55 HydrophobicContact CD1-CD1 3.74Å; I25-F55 HydrophobicContact CD1-CE1 4.23Å; I25-F55 HydrophobicContact CD1-CG 3.95Å; I25-F55 HydrophobicContact CG1-CD1 3.7Å; I25-F55 HydrophobicContact CG1-CE1 3.91Å; I25-F55 HydrophobicContact CG1-CG 4.42Å; L46-F55 WeakPolarHBondContact CA-O 3.2Å; V47-F55 PolarHBondContact N-O 3.49Å; V47-F55 PolarHBondContact O-N 2.65Å; H53-F55 HydrophobicContact CB-CE2 3.74Å; H53-F55 HydrophobicContact CB-CZ 4.01Å; F55-I60 HydrophobicContact CB-CB 4.1Å; F55-I60 HydrophobicContact CD2-CB 4.46Å; F55-I60 HydrophobicContact CD2-CD1 4.04Å; F55-I60 HydrophobicContact CD2-CG1 4.41Å; F55-I60 HydrophobicContact CE2-CD1 4.38Å; F55-P74 HydrophobicContact CE1-CG 4.29Å; F55-P74 HydrophobicContact CE2-CG 4.28Å; F55-P74 HydrophobicContact CZ-CB 4.33Å; F55-P74 HydrophobicContact CZ-CG 3.92Å; F55-M75 HydrophobicContact CE1-CG 4.18Å; F55-M75 HydrophobicContact CZ-CG 3.71Å; F55-W80 AromaticContact CD2-CH2 3.59Å; F55-W80 HydrophobicContact CD2-CH2 3.59Å; F55-W80 HydrophobicContact CD2-CZ2 4.44Å; F55-W80 AromaticContact CD2-CZ3 3.9Å; F55-W80 HydrophobicContact CD2-CZ3 3.9Å; F55-W80 AromaticContact CE2-CH2 3.85Å; F55-W80 HydrophobicContact CE2-CH2 3.85Å; F55-W80 AromaticContact CE2-CZ3 3.65Å; F55-W80 HydrophobicContact CE2-CZ3 3.65Å |
| 56 | H | 93.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 137.8 | 162 | -62.1 | 118.2 | 0 | 0 | 0 | 109.9 | C23 C26 F30 C34 L46 H58 C59 I60 | C23-H56 VanDerWaalsContact CB-ND1 3.34Å; C23-H56 WeakPolarHBondContact CB-ND1 3.3Å; C26-H56 PolarHBondContact SG-ND1 2.93Å; F30-H56 AromaticContact CD1-NE2 3.92Å; C34-H56 HydrophobicContact CB-CB 4.16Å; L46-H56 WeakPolarHBondContact CD2-CD2 3.25Å; H56-H58 VanDerWaalsContact C-N 3.35Å; H56-H58 PolarHBondContact O-N 3.3Å; H56-C59 HydrophobicContact CB-CB 4.15Å; H56-C59 WeakPolarHBondContact O-CB 3.14Å; H56-C59 PolarHBondContact O-N 3.04Å; H56-I60 PolarHBondContact O-N 3.37Å |
| 57 | M | 93.2 | Very high | 93.7 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 27% | 0.271 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -50.2 | -50.5 | 179.6 | 179 | 65.3 | 106.7 | 0 | 0 | 112.5 | P45 V47 C59 I60 L61 F82 | P45-M57 HydrophobicContact CG-CB 3.92Å; P45-M57 HydrophobicContact CG-CG 4.39Å; P45-M57 VanDerWaalsContact O-CB 3.32Å; P45-M57 WeakPolarHBondContact O-CB 3.42Å; P45-M57 PolarHBondContact O-N 2.89Å; V47-M57 HydrophobicContact CG1-CB 4.22Å; V47-M57 HydrophobicContact CG1-CE 3.68Å; V47-M57 HydrophobicContact CG1-SD 3.71Å; V47-M57 HydrophobicContact CG2-SD 4.34Å; M57-C59 VanDerWaalsContact C-N 3.31Å; M57-C59 PolarHBondContact O-N 3.42Å; M57-I60 VanDerWaalsContact O-CG2 3.25Å; M57-I60 WeakPolarHBondContact O-CG2 3.32Å; M57-I60 PolarHBondContact O-N 3.35Å; M57-L61 HydrophobicContact CG-CD1 3.77Å; M57-L61 HydrophobicContact CG-CG 4.34Å; M57-L61 WeakPolarHBondContact O-CB 3.44Å; M57-L61 VanDerWaalsContact O-CG 3.3Å; M57-L61 WeakPolarHBondContact O-CG 3.2Å; M57-L61 PolarHBondContact O-N 2.92Å; M57-L61 HydrophobicContact SD-CD1 3.75Å; M57-L61 HydrophobicContact SD-CD2 4.44Å; M57-L61 HydrophobicContact SD-CG 3.94Å; M57-F82 HydrophobicContact SD-CE1 4.24Å |
| 58 | H | 93.6 | Very high | 92.8 | Very high | 78 Ų | 78 | 59.2 Ų | 59.2 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 179.7 | -67.6 | 141 | 0 | 0 | 0 | 113.5 | C37 D43 H56 K62 | C37-H58 VanDerWaalsContact SG-CE1 3.57Å; C37-H58 PolarHBondContact SG-ND1 3.07Å; D43-H58 PolarHBondContact O-CE1 3.08Å; D43-H58 PolarHBondContact O-ND1 3.05Å; H56-H58 VanDerWaalsContact C-N 3.35Å; H56-H58 PolarHBondContact O-N 3.3Å; H58-K62 WeakPolarHBondContact O-CB 3.47Å; H58-K62 PolarHBondContact O-N 3.14Å |
| 59 | C | 94.9 | Very high | 92.1 | Very high | 10 Ų | 10 | 62.3 Ų | 62.3 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.4 | -46.3 | 178.9 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | I25 H56 M57 W63 | I25-C59 HydrophobicContact CB-CB 3.9Å; I25-C59 HydrophobicContact CD1-CB 3.88Å; I25-C59 HydrophobicContact CG1-CB 4.49Å; I25-C59 HydrophobicContact CG2-CB 3.9Å; H56-C59 HydrophobicContact CB-CB 4.15Å; H56-C59 WeakPolarHBondContact O-CB 3.14Å; H56-C59 PolarHBondContact O-N 3.04Å; M57-C59 VanDerWaalsContact C-N 3.31Å; M57-C59 PolarHBondContact O-N 3.42Å; C59-W63 WeakPolarHBondContact O-CB 3.26Å; C59-W63 PolarHBondContact O-N 2.83Å; C59-W63 VanDerWaalsContact O-N 3.08Å |
| 60 | I | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.3 | -40.5 | -179.6 | -169.5 | 62.1 | 0 | 0 | 0 | 111.5 | I25 V47 F55 H56 M57 K62 W63 L64 P74 W80 F82 | I25-I60 HydrophobicContact CD1-CB 4.32Å; I25-I60 HydrophobicContact CD1-CD1 4.2Å; V47-I60 HydrophobicContact CG2-CG2 3.49Å; V47-I60 VanDerWaalsContact CG2-CG2 3.49Å; F55-I60 HydrophobicContact CB-CB 4.1Å; F55-I60 HydrophobicContact CD2-CB 4.46Å; F55-I60 HydrophobicContact CD2-CD1 4.04Å; F55-I60 HydrophobicContact CD2-CG1 4.41Å; F55-I60 HydrophobicContact CE2-CD1 4.38Å; H56-I60 PolarHBondContact O-N 3.37Å; M57-I60 VanDerWaalsContact O-CG2 3.25Å; M57-I60 WeakPolarHBondContact O-CG2 3.32Å; M57-I60 PolarHBondContact O-N 3.35Å; I60-K62 PolarHBondContact O-N 3.09Å; I60-W63 WeakPolarHBondContact O-CB 3.45Å; I60-W63 PolarHBondContact O-N 3.37Å; I60-W63 VanDerWaalsContact O-N 3.16Å; I60-L64 HydrophobicContact CD1-CD2 4.41Å; I60-L64 HydrophobicContact CD1-CG 4.22Å; I60-L64 HydrophobicContact CG1-CD1 3.92Å; I60-L64 HydrophobicContact CG1-CG 4.09Å; I60-L64 WeakPolarHBondContact O-CB 3.38Å; I60-L64 WeakPolarHBondContact O-CG 3.37Å; I60-L64 PolarHBondContact O-N 3.39Å; I60-P74 HydrophobicContact CD1-CG 4.16Å; I60-W80 HydrophobicContact CD1-CD2 4.05Å; I60-W80 HydrophobicContact CD1-CE3 4.22Å; I60-W80 HydrophobicContact CD1-CH2 4.44Å; I60-W80 HydrophobicContact CD1-CZ2 4.29Å; I60-W80 HydrophobicContact CD1-CZ3 4.42Å; I60-W80 HydrophobicContact CG1-CD2 4.08Å; I60-W80 HydrophobicContact CG1-CH2 4.3Å; I60-W80 HydrophobicContact CG1-CZ2 3.74Å; I60-F82 HydrophobicContact CG2-CE1 4.34Å |
| 61 | L | 93.3 | Very high | 91.4 | Very high | 65 Ų | 65 | 65 Ų | 65 | 34% | 0.34 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 176.8 | -71.5 | 176.2 | 0 | 0 | 0 | 111.8 | M57 W63 L64 N65 F82 | M57-L61 HydrophobicContact CG-CD1 3.77Å; M57-L61 HydrophobicContact CG-CG 4.34Å; M57-L61 WeakPolarHBondContact O-CB 3.44Å; M57-L61 VanDerWaalsContact O-CG 3.3Å; M57-L61 WeakPolarHBondContact O-CG 3.2Å; M57-L61 PolarHBondContact O-N 2.92Å; M57-L61 HydrophobicContact SD-CD1 3.75Å; M57-L61 HydrophobicContact SD-CD2 4.44Å; M57-L61 HydrophobicContact SD-CG 3.94Å; L61-W63 VanDerWaalsContact C-N 3.3Å; L61-W63 PolarHBondContact O-N 2.82Å; L61-L64 PolarHBondContact O-N 3.1Å; L61-N65 WeakPolarHBondContact O-CB 3.35Å; L61-N65 PolarHBondContact O-N 3.39Å; L61-N65 PolarHBondContact O-ND2 3.4Å; L61-F82 HydrophobicContact CD2-CZ 4.13Å |
| 62 | K | 94.2 | Very high | 91.4 | Very high | 128 Ų | 128 | 66.6 Ų | 66.6 | 56% | 0.557 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.6 | -40.7 | 175.4 | -170.8 | 175.8 | -169 | 169.8 | 0 | 111.8 | D36 H58 I60 S66 | D36-K62 IonicContact OD1-NZ 2.99Å; D36-K62 IonicContact OD2-NZ 3.88Å; D36-K62 PolarHBondContact OD2-NZ 3Å; H58-K62 WeakPolarHBondContact O-CB 3.47Å; H58-K62 PolarHBondContact O-N 3.14Å; I60-K62 PolarHBondContact O-N 3.09Å; K62-S66 PolarHBondContact O-N 3.31Å; K62-S66 VanDerWaalsContact O-N 3.17Å |
| 63 | W | 94.2 | Very high | 91.5 | Very high | 95 Ų | 95 | 63.8 Ų | 63.8 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.4 | -51.3 | 175.3 | 177.4 | -93.8 | 0 | 0 | 0 | 112.1 | I25 C59 I60 L61 N65 S66 Q67 Q72 P74 | I25-W63 HydrophobicContact CD1-CB 4.19Å; C59-W63 WeakPolarHBondContact O-CB 3.26Å; C59-W63 PolarHBondContact O-N 2.83Å; C59-W63 VanDerWaalsContact O-N 3.08Å; I60-W63 WeakPolarHBondContact O-CB 3.45Å; I60-W63 PolarHBondContact O-N 3.37Å; I60-W63 VanDerWaalsContact O-N 3.16Å; L61-W63 VanDerWaalsContact C-N 3.3Å; L61-W63 PolarHBondContact O-N 2.82Å; W63-N65 VanDerWaalsContact C-N 3.32Å; W63-N65 PolarHBondContact O-N 3.15Å; W63-S66 WeakPolarHBondContact O-CB 3.14Å; W63-S66 PolarHBondContact O-N 2.75Å; W63-S66 VanDerWaalsContact O-N 3.08Å; W63-S66 PolarHBondContact O-OG 3.3Å; W63-Q67 VanDerWaalsContact CE2-NE2 3.29Å; W63-Q67 PolarHBondContact O-N 3.5Å; W63-Q72 PolarHBondContact NE1-O 2.99Å; W63-P74 HydrophobicContact CD2-CB 4.46Å; W63-P74 HydrophobicContact CD2-CG 4.02Å; W63-P74 HydrophobicContact CG-CG 4Å; W63-P74 HydrophobicContact CZ2-CB 4.14Å; W63-P74 HydrophobicContact CZ2-CG 4.43Å |
| 64 | L | 94 | Very high | 91.5 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | -179.7 | -65 | 170.7 | 0 | 0 | 0 | 112 | I60 L61 S66 Q67 Q71 W80 F82 | I60-L64 HydrophobicContact CD1-CD2 4.41Å; I60-L64 HydrophobicContact CD1-CG 4.22Å; I60-L64 HydrophobicContact CG1-CD1 3.92Å; I60-L64 HydrophobicContact CG1-CG 4.09Å; I60-L64 WeakPolarHBondContact O-CB 3.38Å; I60-L64 WeakPolarHBondContact O-CG 3.37Å; I60-L64 PolarHBondContact O-N 3.39Å; L61-L64 PolarHBondContact O-N 3.1Å; L64-S66 VanDerWaalsContact C-N 3.27Å; L64-S66 PolarHBondContact O-N 3.35Å; L64-Q67 PolarHBondContact O-N 2.99Å; L64-Q71 HydrophobicContact CB-CG 4.24Å; L64-Q71 HydrophobicContact CD2-CB 3.75Å; L64-Q71 HydrophobicContact CD2-CG 4.08Å; L64-W80 VanDerWaalsContact CD1-CD1 3.48Å; L64-W80 HydrophobicContact CD1-CG 4.19Å; L64-W80 HydrophobicContact CD2-CB 3.62Å; L64-W80 HydrophobicContact CD2-CG 3.8Å; L64-F82 HydrophobicContact CD1-CE2 4.36Å; L64-F82 HydrophobicContact CD1-CZ 4.11Å |
| 65 | N | 92.8 | Very high | 91.4 | Very high | 127 Ų | 127 | 67.4 Ų | 67.4 | 68% | 0.679 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -69.4 | -23.5 | 176.8 | -70.7 | -19.6 | 0 | 0 | 0 | 113.3 | L61 W63 Q67 | L61-N65 WeakPolarHBondContact O-CB 3.35Å; L61-N65 PolarHBondContact O-N 3.39Å; L61-N65 PolarHBondContact O-ND2 3.4Å; W63-N65 VanDerWaalsContact C-N 3.32Å; W63-N65 PolarHBondContact O-N 3.15Å; N65-Q67 VanDerWaalsContact C-N 3.28Å |
| 66 | S | 92 | Very high | 91.4 | Very high | 82 Ų | 82 | 69.3 Ų | 69.3 | 57% | 0.573 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -76.5 | -16.6 | 175.2 | 77 | 0 | 0 | 0 | 0 | 113.2 | K62 W63 L64 | K62-S66 PolarHBondContact O-N 3.31Å; K62-S66 VanDerWaalsContact O-N 3.17Å; W63-S66 WeakPolarHBondContact O-CB 3.14Å; W63-S66 PolarHBondContact O-N 2.75Å; W63-S66 VanDerWaalsContact O-N 3.08Å; W63-S66 PolarHBondContact O-OG 3.3Å; L64-S66 VanDerWaalsContact C-N 3.27Å; L64-S66 PolarHBondContact O-N 3.35Å |
| 67 | Q | 86.6 | Confident | 91.4 | Very high | 47 Ų | 47 | 78.7 Ų | 78.7 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | trans | -92 | 117.6 | -179.1 | -64.7 | -175.3 | -15.2 | 0 | 0 | 110.4 | W63 L64 N65 Q70 Q71 | W63-Q67 VanDerWaalsContact CE2-NE2 3.29Å; W63-Q67 PolarHBondContact O-N 3.5Å; L64-Q67 PolarHBondContact O-N 2.99Å; N65-Q67 VanDerWaalsContact C-N 3.28Å; Q67-Q70 PolarHBondContact OE1-O 2.95Å; Q67-Q71 VanDerWaalsContact OE1-CA 3.29Å | ||
| 68 | Q | 75.6 | Confident | 91.4 | Very high | 197 Ų | 197 | 81.5 Ų | 81.5 | 92% | 0.921 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -81.8 | -24.1 | -177.4 | -67.5 | -179.8 | -2.2 | 0 | 0 | 114 | ||
| 69 | V | 79.1 | Confident | 91.4 | Very high | 143 Ų | 143 | 83.3 Ų | 83.3 | 87% | 0.867 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -113 | -47.8 | -166.1 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 70 | Q | 84.9 | Confident | 91.4 | Very high | 108 Ų | 108 | 83.4 Ų | 83.4 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | trans | -148.8 | 126.1 | -176.7 | -161.1 | 173 | 24.1 | 0 | 0 | 110 | Q67 Q72 | Q67-Q70 PolarHBondContact OE1-O 2.95Å; Q70-Q72 HydrophobicContact CB-CG 4.37Å; Q70-Q72 HydrophobicContact CG-CG 4.19Å; Q70-Q72 PolarHBondContact O-N 2.88Å | ||
| 71 | Q | 91.2 | Very high | 91.4 | Very high | 86 Ų | 86 | 87.7 Ų | 87.7 | 40% | 0.402 | 43% | 0.427 | S | S | . | . | trans | -79.6 | 104.7 | 179.4 | -76.9 | -160.9 | 1 | 0 | 0 | 110.6 | L64 Q67 E79 W80 | L64-Q71 HydrophobicContact CB-CG 4.24Å; L64-Q71 HydrophobicContact CD2-CB 3.75Å; L64-Q71 HydrophobicContact CD2-CG 4.08Å; Q67-Q71 VanDerWaalsContact OE1-CA 3.29Å; Q71-E79 WeakPolarHBondContact O-CA 3.39Å; Q71-W80 PolarHBondContact O-N 3.23Å | ||
| 72 | Q | 94.9 | Very high | 91.4 | Very high | 56 Ų | 56 | 88.9 Ų | 88.9 | 26% | 0.262 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -120.1 | 146.2 | -172.9 | -65.2 | 179.2 | 0.4 | 0 | 0 | 112.1 | W63 Q70 Q78 | W63-Q72 PolarHBondContact NE1-O 2.99Å; Q70-Q72 HydrophobicContact CB-CG 4.37Å; Q70-Q72 HydrophobicContact CG-CG 4.19Å; Q70-Q72 PolarHBondContact O-N 2.88Å; Q72-Q78 CarbonylContact C-O 3.55Å; Q72-Q78 VanDerWaalsContact CA-O 3.31Å; Q72-Q78 WeakPolarHBondContact CA-O 3.38Å |
| 73 | C | 94.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 89.3 Ų | 89.3 | 1% | 0.014 | 43% | 0.431 | C | S | . | . | trans | -59.4 | 131.3 | 170.7 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | C51 M75 C76 R77 Q78 W80 | C51-C73 VanDerWaalsContact SG-SG 3.65Å; C73-M75 PolarHBondContact O-N 2.98Å; C73-M75 VanDerWaalsContact O-N 3.14Å; C73-C76 VanDerWaalsContact CB-SG 3.59Å; C73-C76 VanDerWaalsContact SG-SG 3.7Å; C73-R77 VanDerWaalsContact O-CA 3.28Å; C73-R77 WeakPolarHBondContact O-CA 3.34Å; C73-R77 PolarHBondContact O-N 3.09Å; C73-Q78 PolarHBondContact N-O 3.05Å; C73-W80 HydrophobicContact CB-CE3 3.89Å; C73-W80 HydrophobicContact CB-CZ3 4.39Å | ||
| 74 | P | 93.8 | Very high | 90.3 | Very high | 36 Ų | 36 | 97.1 Ų | 97.1 | 23% | 0.234 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26 | 177.7 | -19 | 25.1 | 0 | 0 | 0 | 114.6 | I25 F55 I60 W63 | I25-P74 HydrophobicContact CD1-CG 3.86Å; I25-P74 HydrophobicContact CG1-CB 4.41Å; I25-P74 HydrophobicContact CG1-CG 3.89Å; F55-P74 HydrophobicContact CE1-CG 4.29Å; F55-P74 HydrophobicContact CE2-CG 4.28Å; F55-P74 HydrophobicContact CZ-CB 4.33Å; F55-P74 HydrophobicContact CZ-CG 3.92Å; I60-P74 HydrophobicContact CD1-CG 4.16Å; W63-P74 HydrophobicContact CD2-CB 4.46Å; W63-P74 HydrophobicContact CD2-CG 4.02Å; W63-P74 HydrophobicContact CG-CG 4Å; W63-P74 HydrophobicContact CZ2-CB 4.14Å; W63-P74 HydrophobicContact CZ2-CG 4.43Å |
| 75 | M | 93.1 | Very high | 90.1 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 47% | 0.468 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -50.3 | -171.5 | -63.4 | -68.7 | -75.9 | 0 | 0 | 112.4 | H53 F55 C73 | H53-M75 WeakPolarHBondContact NE2-CB 3.47Å; F55-M75 HydrophobicContact CE1-CG 4.18Å; F55-M75 HydrophobicContact CZ-CG 3.71Å; C73-M75 PolarHBondContact O-N 2.98Å; C73-M75 VanDerWaalsContact O-N 3.14Å |
| 76 | C | 94.5 | Very high | 90 | Very high | 43 Ų | 43 | 100.5 Ų | 100.5 | 29% | 0.291 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -3.1 | -175.9 | 64.1 | 0 | 0 | 0 | 0 | 114.9 | C73 Q78 | C73-C76 VanDerWaalsContact CB-SG 3.59Å; C73-C76 VanDerWaalsContact SG-SG 3.7Å; C76-Q78 HydrophobicContact CB-CG 4.32Å; C76-Q78 PolarHBondContact O-N 3.46Å |
| 77 | R | 93 | Very high | 89.9 | Confident | 197 Ų | 197 | 101.6 Ų | 101.6 | 74% | 0.743 | 48% | 0.48 | S | S | * | . | trans | 59.2 | 7.7 | -178.5 | -53.9 | -179 | -177.9 | 179.7 | -0.6 | 115.9 | C73 | C73-R77 VanDerWaalsContact O-CA 3.28Å; C73-R77 WeakPolarHBondContact O-CA 3.34Å; C73-R77 PolarHBondContact O-N 3.09Å | ||
| 78 | Q | 93.9 | Very high | 90.1 | Very high | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -67.7 | 154.1 | 170.3 | -63.5 | 174.6 | 1.5 | 0 | 0 | 110.1 | Q72 C73 C76 W80 | Q72-Q78 CarbonylContact C-O 3.55Å; Q72-Q78 VanDerWaalsContact CA-O 3.31Å; Q72-Q78 WeakPolarHBondContact CA-O 3.38Å; C73-Q78 PolarHBondContact N-O 3.05Å; C76-Q78 HydrophobicContact CB-CG 4.32Å; C76-Q78 PolarHBondContact O-N 3.46Å; Q78-W80 PolarHBondContact O-N 2.91Å |
| 79 | E | 94.6 | Very high | 91 | Very high | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 47% | 0.469 | S | S | . | . | B | Isolated β-bridge | trans | -52.9 | 127.2 | 172.8 | -175.1 | -179.6 | -147.2 | 0 | 0 | 110.2 | Q71 K81 | Q71-E79 WeakPolarHBondContact O-CA 3.39Å; E79-K81 PolarHBondContact O-N 3.05Å; E79-K81 WeakPolarHBondContact OE2-CE 3.35Å; E79-K81 IonicContact OE2-NZ 2.84Å; E79-K81 PolarHBondContact OE2-NZ 3.33Å |
| 80 | W | 95.1 | Very high | 91.8 | Very high | 12 Ų | 12 | 96.1 Ų | 96.1 | 5% | 0.045 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -78 | 120.9 | -178.3 | -177.4 | -95 | 0 | 0 | 0 | 110.5 | G49 H53 F55 I60 L64 Q71 C73 Q78 F82 | G49-W80 VanDerWaalsContact CA-CH2 3.4Å; H53-W80 HydrophobicContact CB-CZ3 4.49Å; F55-W80 AromaticContact CD2-CH2 3.59Å; F55-W80 HydrophobicContact CD2-CH2 3.59Å; F55-W80 HydrophobicContact CD2-CZ2 4.44Å; F55-W80 AromaticContact CD2-CZ3 3.9Å; F55-W80 HydrophobicContact CD2-CZ3 3.9Å; F55-W80 AromaticContact CE2-CH2 3.85Å; F55-W80 HydrophobicContact CE2-CH2 3.85Å; F55-W80 AromaticContact CE2-CZ3 3.65Å; F55-W80 HydrophobicContact CE2-CZ3 3.65Å; I60-W80 HydrophobicContact CD1-CD2 4.05Å; I60-W80 HydrophobicContact CD1-CE3 4.22Å; I60-W80 HydrophobicContact CD1-CH2 4.44Å; I60-W80 HydrophobicContact CD1-CZ2 4.29Å; I60-W80 HydrophobicContact CD1-CZ3 4.42Å; I60-W80 HydrophobicContact CG1-CD2 4.08Å; I60-W80 HydrophobicContact CG1-CH2 4.3Å; I60-W80 HydrophobicContact CG1-CZ2 3.74Å; L64-W80 VanDerWaalsContact CD1-CD1 3.48Å; L64-W80 HydrophobicContact CD1-CG 4.19Å; L64-W80 HydrophobicContact CD2-CB 3.62Å; L64-W80 HydrophobicContact CD2-CG 3.8Å; Q71-W80 PolarHBondContact O-N 3.23Å; C73-W80 HydrophobicContact CB-CE3 3.89Å; C73-W80 HydrophobicContact CB-CZ3 4.39Å; Q78-W80 PolarHBondContact O-N 2.91Å; W80-F82 HydrophobicContact CZ2-CD1 4.47Å; W80-F82 HydrophobicContact CZ2-CE1 4.45Å; W80-F82 AromaticContact NE1-CD1 3.73Å; W80-F82 AromaticContact NE1-CD2 3.91Å; W80-F82 AromaticContact NE1-CE1 3.51Å; W80-F82 AromaticContact NE1-CE2 3.69Å; W80-F82 AromaticContact NE1-CG 3.93Å; W80-F82 AromaticContact NE1-CZ 3.48Å |
| 81 | K | 94.3 | Very high | 92.3 | Very high | 91 Ų | 91 | 95.2 Ų | 95.2 | 40% | 0.396 | 44% | 0.437 | S | S | . | . | trans | -129.6 | 128.6 | 170.4 | -66.2 | 179.9 | -175.8 | 164.2 | 0 | 108.2 | G49 Q50 E79 K83 | G49-K81 CarbonylContact C-O 3.53Å; G49-K81 VanDerWaalsContact CA-O 3.31Å; G49-K81 WeakPolarHBondContact CA-O 3.45Å; Q50-K81 HydrophobicContact CB-CB 4.47Å; Q50-K81 HydrophobicContact CG-CB 3.89Å; Q50-K81 PolarHBondContact N-O 3.25Å; E79-K81 PolarHBondContact O-N 3.05Å; E79-K81 WeakPolarHBondContact OE2-CE 3.35Å; E79-K81 IonicContact OE2-NZ 2.84Å; E79-K81 PolarHBondContact OE2-NZ 3.33Å; K81-K83 PolarHBondContact O-N 3.16Å | ||
| 82 | F | 93.4 | Very high | 92.4 | Very high | 90 Ų | 90 | 95.9 Ų | 95.9 | 40% | 0.395 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -61.7 | 135.9 | 173.6 | -66.4 | -83.9 | 0 | 0 | 0 | 109.2 | V47 M57 I60 L61 L64 W80 | V47-F82 HydrophobicContact CB-CD1 4.22Å; V47-F82 HydrophobicContact CB-CE1 4.26Å; V47-F82 HydrophobicContact CG1-CE1 4.47Å; V47-F82 HydrophobicContact CG2-CE1 4.12Å; M57-F82 HydrophobicContact SD-CE1 4.24Å; I60-F82 HydrophobicContact CG2-CE1 4.34Å; L61-F82 HydrophobicContact CD2-CZ 4.13Å; L64-F82 HydrophobicContact CD1-CE2 4.36Å; L64-F82 HydrophobicContact CD1-CZ 4.11Å; W80-F82 HydrophobicContact CZ2-CD1 4.47Å; W80-F82 HydrophobicContact CZ2-CE1 4.45Å; W80-F82 AromaticContact NE1-CD1 3.73Å; W80-F82 AromaticContact NE1-CD2 3.91Å; W80-F82 AromaticContact NE1-CE1 3.51Å; W80-F82 AromaticContact NE1-CE2 3.69Å; W80-F82 AromaticContact NE1-CG 3.93Å; W80-F82 AromaticContact NE1-CZ 3.48Å |
| 83 | K | 91.4 | Very high | 92.1 | Very high | 136 Ų | 136 | 99.3 Ų | 99.3 | 59% | 0.591 | 46% | 0.455 | S | S | * | . | trans | -79.7 | 124.5 | 169.2 | -168.9 | 178.2 | 178.4 | -175.2 | 0 | 107.2 | W48 K81 | W48-K83 HydrophobicContact CB-CB 4.13Å; W48-K83 HydrophobicContact CB-CD 4.31Å; W48-K83 WeakPolarHBondContact O-CB 3.5Å; W48-K83 PolarHBondContact O-N 3.5Å; K81-K83 PolarHBondContact O-N 3.16Å | ||
| 84 | E | 73.9 | Confident | 91.9 | Very high | 260 Ų | 260 | 108.1 Ų | 108.1 | 100% | 1.215 | 50% | 0.495 | S | S | * | . | trans | -61 | 0 | 171.1 | -71.5 | -179.3 | 165.6 | 0 | 0 | 111.7 |
Retrieved 84 of 84 residues in 250.1 ms
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