| 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 | 68.4 | Low | 78.5 | Confident | 155 Ų | 155 | 91.6 Ų | 91.6 | 76% | 0.764 | 43% | 0.425 | S | S | * | . | 0 | 124.6 | 0 | -175.7 | 166.9 | -130 | 0 | 0 | 106.6 | K3 K7 | M1-K3 PolarHBondContact O-N 2.79Å; M1-K7 HydrophobicContact CE-CD 3.45Å; M1-K7 VanDerWaalsContact CE-CD 3.45Å; M1-K7 HydrophobicContact CE-CG 4.05Å; M1-K7 VanDerWaalsContact CE-NZ 3.26Å; M1-K7 HydrophobicContact SD-CD 4.19Å; M1-K7 WeakPolarHBondContact SD-CE 3.18Å; M1-K7 PolarHBondContact SD-NZ 3.47Å | |||
| 2 | W | 80.6 | Confident | 79.2 | Confident | 54 Ų | 54 | 88.8 Ų | 88.8 | 21% | 0.205 | 42% | 0.415 | C | S | . | . | trans | -77.5 | 114 | -170 | -55.4 | -63.8 | 0 | 0 | 0 | 111.1 | H4 L5 P46 L57 T61 | W2-H4 VanDerWaalsContact C-N 3.29Å; W2-H4 PolarHBondContact O-N 2.7Å; W2-L5 HydrophobicContact CB-CD1 3.84Å; W2-L5 HydrophobicContact CB-CG 4.31Å; W2-L5 HydrophobicContact CD2-CD1 4.43Å; W2-L5 HydrophobicContact CE3-CD1 4.11Å; W2-L5 HydrophobicContact CG-CD1 4.35Å; W2-L5 PolarHBondContact O-N 2.75Å; W2-P46 VanDerWaalsContact CD1-CD 3.45Å; W2-P46 HydrophobicContact CD2-CG 3.23Å; W2-P46 HydrophobicContact CE3-CG 3.37Å; W2-P46 HydrophobicContact CG-CG 3.84Å; W2-P46 HydrophobicContact CH2-CG 3.72Å; W2-P46 HydrophobicContact CZ2-CG 3.62Å; W2-P46 HydrophobicContact CZ3-CG 3.6Å; W2-L57 HydrophobicContact CZ3-CD1 4.45Å; W2-T61 HydrophobicContact CH2-CG2 3.84Å; W2-T61 HydrophobicContact CZ2-CG2 3.95Å; W2-T61 WeakPolarHBondContact CZ2-O 3.47Å; W2-T61 PolarHBondContact NE1-O 3.49Å | ||
| 3 | K | 80.8 | Confident | 79.6 | Confident | 195 Ų | 195 | 95.2 Ų | 95.2 | 85% | 0.848 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -20.6 | -169.4 | -65.7 | -175.4 | 179.7 | -179.1 | 0 | 113.9 | M1 L5 | M1-K3 PolarHBondContact O-N 2.79Å; K3-L5 VanDerWaalsContact C-N 3.32Å |
| 4 | H | 82.4 | Confident | 79.5 | Confident | 37 Ų | 37 | 97 Ų | 97 | 17% | 0.171 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -6.5 | -179.7 | 63.4 | -68.3 | 0 | 0 | 0 | 113.8 | W2 K41 E45 P46 | W2-H4 VanDerWaalsContact C-N 3.29Å; W2-H4 PolarHBondContact O-N 2.7Å; H4-K41 HydrophobicContact CB-CB 4.28Å; H4-K41 HydrophobicContact CB-CD 4.46Å; H4-E45 IonicContact CE1-OE2 3.54Å; H4-E45 IonicContact ND1-OE2 3.65Å; H4-P46 PolarHBondContact NE2-O 3.46Å |
| 5 | L | 82.6 | Confident | 79.6 | Confident | 16 Ų | 16 | 99.5 Ų | 99.5 | 8% | 0.084 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -108.7 | 118.3 | -175.3 | -59.2 | 171.3 | 0 | 0 | 0 | 109.4 | W2 K3 K7 R39 P46 L55 L57 | W2-L5 HydrophobicContact CB-CD1 3.84Å; W2-L5 HydrophobicContact CB-CG 4.31Å; W2-L5 HydrophobicContact CD2-CD1 4.43Å; W2-L5 HydrophobicContact CE3-CD1 4.11Å; W2-L5 HydrophobicContact CG-CD1 4.35Å; W2-L5 PolarHBondContact O-N 2.75Å; K3-L5 VanDerWaalsContact C-N 3.32Å; L5-K7 PolarHBondContact O-N 2.76Å; L5-R39 HydrophobicContact CD2-CB 4.05Å; L5-P46 HydrophobicContact CD1-CG 3.94Å; L5-L55 HydrophobicContact CB-CD2 4.4Å; L5-L55 HydrophobicContact CD2-CD2 3.72Å; L5-L57 HydrophobicContact CD1-CD2 3.57Å; L5-L57 HydrophobicContact CD2-CD2 4.4Å; L5-L57 HydrophobicContact CG-CD2 4.45Å |
| 6 | P | 76.1 | Confident | 79.4 | Confident | 47 Ų | 47 | 100.1 Ų | 100.1 | 31% | 0.305 | 48% | 0.475 | S | S | . | . | trans | -66 | 126.7 | 175.7 | 26 | -32.3 | 0 | 0 | 0 | 109.8 | Y8 N9 R39 L55 | P6-Y8 VanDerWaalsContact C-N 3.26Å; P6-Y8 PolarHBondContact O-N 3.35Å; P6-N9 HydrophobicContact CG-CB 4.47Å; P6-R39 VanDerWaalsContact CG-NH1 3.28Å; P6-L55 HydrophobicContact CG-CD2 4.27Å | ||
| 7 | K | 69.7 | Low | 79.8 | Confident | 126 Ų | 126 | 98.1 Ų | 98.1 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -66.2 | -28.8 | -179 | -58.2 | -176.6 | -162.2 | -174.1 | 0 | 113.4 | M1 L5 | M1-K7 HydrophobicContact CE-CD 3.45Å; M1-K7 VanDerWaalsContact CE-CD 3.45Å; M1-K7 HydrophobicContact CE-CG 4.05Å; M1-K7 VanDerWaalsContact CE-NZ 3.26Å; M1-K7 HydrophobicContact SD-CD 4.19Å; M1-K7 WeakPolarHBondContact SD-CE 3.18Å; M1-K7 PolarHBondContact SD-NZ 3.47Å; L5-K7 PolarHBondContact O-N 2.76Å |
| 8 | Y | 67.5 | Low | 80.2 | Confident | 225 Ų | 225 | 102.6 Ų | 102.6 | 88% | 0.882 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -88.6 | -3.6 | -168.8 | -55.8 | -74 | 0 | 0 | 0 | 114 | P6 | P6-Y8 VanDerWaalsContact C-N 3.26Å; P6-Y8 PolarHBondContact O-N 3.35Å |
| 9 | N | 79.4 | Confident | 80.5 | Confident | 78 Ų | 78 | 105.1 Ų | 105.1 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -130.3 | 32.2 | -175.5 | -162.4 | 19.6 | 0 | 0 | 0 | 111.7 | P6 L55 | P6-N9 HydrophobicContact CG-CB 4.47Å; N9-L55 WeakPolarHBondContact O-CA 3.44Å; N9-L55 WeakPolarHBondContact O-CB 3.25Å; N9-L55 PolarHBondContact O-N 3.15Å |
| 10 | L | 88.2 | Confident | 81 | Confident | 44 Ų | 44 | 108.7 Ų | 108.7 | 23% | 0.23 | 53% | 0.533 | C | S | . | . | B | Isolated β-bridge | trans | -78.1 | 145.4 | 169.9 | -61.3 | -177.4 | 0 | 0 | 0 | 108.9 | D12 F14 L55 L57 | L10-D12 VanDerWaalsContact CB-O 3.26Å; L10-D12 WeakPolarHBondContact CB-O 3.19Å; L10-D12 PolarHBondContact O-N 3.11Å; L10-D12 VanDerWaalsContact O-N 3.11Å; L10-F14 HydrophobicContact CD1-CD2 4.18Å; L10-L55 WeakPolarHBondContact CA-O 3.39Å; L10-L55 HydrophobicContact CD2-CB 4.2Å; L10-L55 HydrophobicContact CD2-CD2 4.06Å; L10-L57 HydrophobicContact CD1-CD1 4Å; L10-L57 HydrophobicContact CD2-CD1 4.09Å; L10-L57 HydrophobicContact CD2-CD2 3.84Å; L10-L57 HydrophobicContact CD2-CG 3.92Å |
| 11 | S | 88.2 | Confident | 81.3 | Confident | 31 Ų | 31 | 109.2 Ų | 109.2 | 22% | 0.217 | 54% | 0.542 | C | S | . | . | S | Bend | trans | -59.1 | -24.8 | 174.5 | -50.9 | 0 | 0 | 0 | 0 | 112.5 | F53 G54 L55 I56 | S11-F53 VanDerWaalsContact CA-O 3.29Å; S11-F53 WeakPolarHBondContact CA-O 3.49Å; S11-G54 PolarHBondContact OG-O 2.84Å; S11-G54 VanDerWaalsContact OG-O 3.14Å; S11-L55 PolarHBondContact N-O 3.07Å; S11-L55 PolarHBondContact OG-N 2.98Å; S11-L55 PolarHBondContact OG-O 3.24Å; S11-I56 WeakPolarHBondContact OG-CG1 3.03Å; S11-I56 PolarHBondContact OG-N 3.35Å |
| 12 | D | 86.4 | Confident | 82.3 | Confident | 57 Ų | 57 | 109.3 Ų | 109.3 | 31% | 0.305 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -133.4 | 139 | -174.9 | -68.6 | -26.3 | 0 | 0 | 0 | 110.8 | L10 F14 R16 | L10-D12 VanDerWaalsContact CB-O 3.26Å; L10-D12 WeakPolarHBondContact CB-O 3.19Å; L10-D12 PolarHBondContact O-N 3.11Å; L10-D12 VanDerWaalsContact O-N 3.11Å; D12-F14 HydrophobicContact CB-CD2 4.23Å; D12-F14 HydrophobicContact CB-CE1 4.29Å; D12-F14 HydrophobicContact CB-CE2 3.47Å; D12-F14 VanDerWaalsContact CB-CE2 3.47Å; D12-F14 HydrophobicContact CB-CZ 3.5Å; D12-F14 WeakPolarHBondContact O-CD2 3.46Å; D12-F14 PolarHBondContact O-N 3.35Å; D12-R16 VanDerWaalsContact CA-NH1 3.33Å; D12-R16 VanDerWaalsContact CB-CZ 3.46Å; D12-R16 IonicContact OD1-CZ 3.73Å; D12-R16 IonicContact OD1-NH1 2.86Å; D12-R16 PolarHBondContact OD1-NH1 3.38Å; D12-R16 IonicContact OD1-NH2 3.53Å; D12-R16 PolarHBondContact OD1-NH2 3.34Å; D12-R16 IonicContact OD2-CZ 2.59Å; D12-R16 IonicContact OD2-NH1 2.84Å; D12-R16 IonicContact OD2-NH2 3.11Å; D12-R16 PolarHBondContact OD2-NH2 3.4Å |
| 13 | Q | 84 | Confident | 82.6 | Confident | 172 Ų | 172 | 111.1 Ų | 111.1 | 80% | 0.804 | 56% | 0.563 | S | S | * | * | trans | -84.3 | 112.2 | 173.5 | -65 | -176.9 | 28.5 | 0 | 0 | 110.3 | R16 | Q13-R16 WeakPolarHBondContact O-CD 3.37Å; Q13-R16 WeakPolarHBondContact O-CG 3.48Å | ||
| 14 | F | 78.7 | Confident | 83.1 | Confident | 121 Ų | 121 | 109.6 Ų | 109.6 | 53% | 0.531 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -99.9 | 147.9 | 178.4 | -63.6 | -80.8 | 0 | 0 | 0 | 112.7 | L10 D12 L57 | L10-F14 HydrophobicContact CD1-CD2 4.18Å; D12-F14 HydrophobicContact CB-CD2 4.23Å; D12-F14 HydrophobicContact CB-CE1 4.29Å; D12-F14 HydrophobicContact CB-CE2 3.47Å; D12-F14 VanDerWaalsContact CB-CE2 3.47Å; D12-F14 HydrophobicContact CB-CZ 3.5Å; D12-F14 WeakPolarHBondContact O-CD2 3.46Å; D12-F14 PolarHBondContact O-N 3.35Å; F14-L57 HydrophobicContact CD2-CD1 4.45Å; F14-L57 HydrophobicContact CE2-CD1 4.27Å |
| 15 | P | 80.9 | Confident | 83.4 | Confident | 134 Ų | 134 | 110.9 Ų | 110.9 | 87% | 0.87 | 57% | 0.571 | S | S | * | * | S | Bend | cis | -74.8 | 143.3 | -2.3 | 31.4 | -34.3 | 0 | 0 | 0 | 112.3 | ||
| 16 | R | 76.7 | Confident | 83.8 | Confident | 110 Ų | 110 | 111.9 Ų | 111.9 | 42% | 0.415 | 59% | 0.585 | S | S | . | * | trans | -105 | 140 | 168.2 | -62.4 | -147.6 | -61.7 | -133.4 | -6.1 | 110.2 | D12 Q13 K19 | D12-R16 VanDerWaalsContact CA-NH1 3.33Å; D12-R16 VanDerWaalsContact CB-CZ 3.46Å; D12-R16 IonicContact OD1-CZ 3.73Å; D12-R16 IonicContact OD1-NH1 2.86Å; D12-R16 PolarHBondContact OD1-NH1 3.38Å; D12-R16 IonicContact OD1-NH2 3.53Å; D12-R16 PolarHBondContact OD1-NH2 3.34Å; D12-R16 IonicContact OD2-CZ 2.59Å; D12-R16 IonicContact OD2-NH1 2.84Å; D12-R16 IonicContact OD2-NH2 3.11Å; D12-R16 PolarHBondContact OD2-NH2 3.4Å; Q13-R16 WeakPolarHBondContact O-CD 3.37Å; Q13-R16 WeakPolarHBondContact O-CG 3.48Å; R16-K19 HydrophobicContact CB-CG 4.42Å | ||
| 17 | G | 87 | Confident | 84.4 | Confident | 65 Ų | 65 | 113.7 Ų | 113.7 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | trans | -66.3 | -168.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K19 | G17-K19 PolarHBondContact O-N 3.46Š| ||
| 18 | I | 85.5 | Confident | 85.5 | Confident | 179 Ų | 179 | 114.8 Ų | 114.8 | 92% | 0.918 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -60.6 | 131.9 | 172 | -58 | 172.9 | 0 | 0 | 0 | 108.4 | ||
| 19 | K | 85.9 | Confident | 86.8 | Confident | 150 Ų | 150 | 111.1 Ų | 111.1 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | trans | -134.3 | 145.4 | 179 | -71.9 | -66.8 | -173.2 | 174.7 | 0 | 109.1 | R16 G17 | R16-K19 HydrophobicContact CB-CG 4.42Å; G17-K19 PolarHBondContact O-N 3.46Å | ||
| 20 | E | 90.3 | Very high | 87.3 | Confident | 177 Ų | 177 | 112.3 Ų | 112.3 | 83% | 0.827 | 60% | 0.601 | S | S | * | * | trans | -74.6 | 157.4 | 169.8 | -65.4 | -176.4 | 167.5 | 0 | 0 | 109.8 | D22 | E20-D22 PolarHBondContact O-N 2.92Š| ||
| 21 | V | 88.1 | Confident | 87.6 | Confident | 120 Ų | 120 | 119.2 Ų | 119.2 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | trans | -81.9 | 114.8 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 108.3 | V23 | V21-V23 WeakPolarHBondContact CG1-O 3.01Š| ||
| 22 | D | 88.8 | Confident | 87.9 | Confident | 158 Ų | 158 | 123.1 Ų | 123.1 | 85% | 0.845 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -78.1 | -37.9 | 178.1 | -58.1 | -64.8 | 0 | 0 | 0 | 112.3 | E20 | E20-D22 PolarHBondContact O-N 2.92Š|
| 23 | V | 87.6 | Confident | 88.2 | Confident | 91 Ų | 91 | 123 Ų | 123 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | trans | -141.5 | 131.3 | -175.4 | -176.4 | 0 | 0 | 0 | 0 | 110 | V21 I25 | V21-V23 WeakPolarHBondContact CG1-O 3.01Å; V23-I25 HydrophobicContact CG1-CG1 3.9Å | ||
| 24 | L | 90.8 | Very high | 88.7 | Confident | 163 Ų | 163 | 116 Ų | 116 | 85% | 0.853 | 61% | 0.607 | S | S | * | * | trans | -109.1 | 121.6 | 168.4 | -175 | 67.3 | 0 | 0 | 0 | 108.9 | ||||
| 25 | I | 88.9 | Confident | 89.3 | Confident | 64 Ų | 64 | 111.6 Ų | 111.6 | 33% | 0.328 | 60% | 0.595 | S | S | . | * | trans | -104.9 | 123.9 | -177.5 | -54.7 | 171.6 | 0 | 0 | 0 | 108.2 | V23 F33 F53 | V23-I25 HydrophobicContact CG1-CG1 3.9Å; I25-F33 HydrophobicContact CD1-CD1 3.91Å; I25-F33 HydrophobicContact CD1-CD2 4.45Å; I25-F33 HydrophobicContact CD1-CE1 4.26Å; I25-F33 HydrophobicContact CD1-CG 4.04Å; I25-F33 HydrophobicContact CG2-CD2 3.98Å; I25-F33 HydrophobicContact CG2-CE2 4.07Å; I25-F53 HydrophobicContact CD1-CE2 3.78Å | ||
| 26 | G | 90.5 | Very high | 89.7 | Confident | 37 Ų | 37 | 113.4 Ų | 113.4 | 38% | 0.381 | 60% | 0.598 | S | S | . | * | trans | -66.2 | 151 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D28 Y29 Y30 | G26-D28 PolarHBondContact O-N 2.85Å; G26-Y29 PolarHBondContact O-N 2.9Å; G26-Y29 VanDerWaalsContact O-N 3.09Å; G26-Y30 PolarHBondContact O-N 2.84Å | ||
| 27 | A | 90.1 | Very high | 90.4 | Very high | 85 Ų | 85 | 111.5 Ų | 111.5 | 70% | 0.702 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -59.3 | -34.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y29 Y30 | A27-Y29 PolarHBondContact O-N 2.8Å; A27-Y30 WeakPolarHBondContact O-CB 3.11Å; A27-Y30 PolarHBondContact O-N 2.7Å |
| 28 | D | 93.2 | Very high | 90.7 | Very high | 149 Ų | 149 | 112.6 Ų | 112.6 | 80% | 0.797 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -64 | -27 | 179 | -52.9 | -53 | 0 | 0 | 0 | 113 | G26 | G26-D28 PolarHBondContact O-N 2.85Š|
| 29 | Y | 93.3 | Very high | 90.9 | Very high | 148 Ų | 148 | 107 Ų | 107 | 58% | 0.58 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -97.8 | -2.8 | 177.3 | -60.9 | -79.6 | 0 | 0 | 0 | 112.3 | G26 A27 W31 D32 F33 | G26-Y29 PolarHBondContact O-N 2.9Å; G26-Y29 VanDerWaalsContact O-N 3.09Å; A27-Y29 PolarHBondContact O-N 2.8Å; Y29-W31 PolarHBondContact O-N 2.92Å; Y29-W31 VanDerWaalsContact O-N 3.15Å; Y29-D32 WeakPolarHBondContact CD1-OD2 3.14Å; Y29-D32 WeakPolarHBondContact O-CB 2.94Å; Y29-D32 PolarHBondContact O-N 3.31Å; Y29-F33 VanDerWaalsContact O-CD2 3.25Å; Y29-F33 WeakPolarHBondContact O-CD2 3.26Å |
| 30 | Y | 91.3 | Very high | 91.1 | Very high | 104 Ų | 104 | 108.2 Ų | 108.2 | 41% | 0.408 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -52 | -46.2 | -172.5 | 176.6 | -103.8 | 0 | 0 | 0 | 112 | G26 A27 D32 F33 I34 | G26-Y30 PolarHBondContact O-N 2.84Å; A27-Y30 WeakPolarHBondContact O-CB 3.11Å; A27-Y30 PolarHBondContact O-N 2.7Å; Y30-D32 VanDerWaalsContact C-N 3.27Å; Y30-D32 PolarHBondContact O-N 3.35Å; Y30-F33 PolarHBondContact O-N 3.11Å; Y30-I34 HydrophobicContact CD1-CG1 4.1Å; Y30-I34 HydrophobicContact CD2-CG1 4.29Å; Y30-I34 HydrophobicContact CE1-CD1 4.49Å; Y30-I34 HydrophobicContact CE1-CG1 3.69Å; Y30-I34 HydrophobicContact CE2-CD1 3.99Å; Y30-I34 HydrophobicContact CE2-CG1 3.88Å; Y30-I34 HydrophobicContact CG-CG1 4.39Å; Y30-I34 WeakPolarHBondContact O-CG1 3.29Å; Y30-I34 PolarHBondContact O-N 3.04Å |
| 31 | W | 93.9 | Very high | 91 | Very high | 188 Ų | 188 | 106.5 Ų | 106.5 | 71% | 0.712 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.5 | -16.6 | -177 | -64 | 111.6 | 0 | 0 | 0 | 114.4 | Y29 F33 I34 | Y29-W31 PolarHBondContact O-N 2.92Å; Y29-W31 VanDerWaalsContact O-N 3.15Å; W31-F33 PolarHBondContact O-N 3.47Å; W31-I34 HydrophobicContact CE3-CB 4.17Å; W31-I34 HydrophobicContact CE3-CG2 4.17Å; W31-I34 HydrophobicContact CZ3-CB 4.49Å; W31-I34 HydrophobicContact CZ3-CG2 4.04Å |
| 32 | D | 94.6 | Very high | 90.8 | Very high | 114 Ų | 114 | 102.3 Ų | 102.3 | 61% | 0.61 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.2 | -20.6 | 174.9 | -60.7 | -25 | 0 | 0 | 0 | 112 | Y29 Y30 | Y29-D32 WeakPolarHBondContact CD1-OD2 3.14Å; Y29-D32 WeakPolarHBondContact O-CB 2.94Å; Y29-D32 PolarHBondContact O-N 3.31Å; Y30-D32 VanDerWaalsContact C-N 3.27Å; Y30-D32 PolarHBondContact O-N 3.35Å |
| 33 | F | 92.7 | Very high | 90.5 | Very high | 55 Ų | 55 | 97.6 Ų | 97.6 | 24% | 0.241 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -103.9 | -17.6 | -177.1 | -68.9 | -104 | 0 | 0 | 0 | 112.9 | I25 Y29 Y30 W31 S51 I52 F53 | I25-F33 HydrophobicContact CD1-CD1 3.91Å; I25-F33 HydrophobicContact CD1-CD2 4.45Å; I25-F33 HydrophobicContact CD1-CE1 4.26Å; I25-F33 HydrophobicContact CD1-CG 4.04Å; I25-F33 HydrophobicContact CG2-CD2 3.98Å; I25-F33 HydrophobicContact CG2-CE2 4.07Å; Y29-F33 VanDerWaalsContact O-CD2 3.25Å; Y29-F33 WeakPolarHBondContact O-CD2 3.26Å; Y30-F33 PolarHBondContact O-N 3.11Å; W31-F33 PolarHBondContact O-N 3.47Å; F33-S51 CarbonylContact O-C 3.46Å; F33-S51 WeakPolarHBondContact O-CA 3.46Å; F33-S51 VanDerWaalsContact O-CB 3.23Å; F33-S51 WeakPolarHBondContact O-CB 3.35Å; F33-I52 HydrophobicContact CB-CG1 4.31Å; F33-I52 HydrophobicContact CD1-CD1 3.15Å; F33-I52 HydrophobicContact CD1-CG1 3.59Å; F33-I52 HydrophobicContact CE1-CD1 3.47Å; F33-I52 VanDerWaalsContact CE1-CD1 3.47Å; F33-I52 HydrophobicContact CE1-CG1 4.38Å; F33-I52 HydrophobicContact CG-CD1 4.14Å; F33-I52 HydrophobicContact CG-CG1 4.36Å; F33-I52 PolarHBondContact O-N 3.42Å; F33-F53 HydrophobicContact CD1-CD2 4.46Å; F33-F53 AromaticContact CD1-CE2 3.47Å; F33-F53 HydrophobicContact CD1-CE2 3.47Å; F33-F53 VanDerWaalsContact CD1-CE2 3.47Å; F33-F53 AromaticContact CD1-CZ 3.81Å; F33-F53 HydrophobicContact CD1-CZ 3.81Å; F33-F53 AromaticContact CE1-CE2 4Å; F33-F53 HydrophobicContact CE1-CE2 4Å; F33-F53 AromaticContact CE1-CZ 3.88Å; F33-F53 HydrophobicContact CE1-CZ 3.88Å; F33-F53 HydrophobicContact CG-CE2 4.46Å |
| 34 | I | 93.5 | Very high | 90.5 | Very high | 24 Ų | 24 | 97.6 Ų | 97.6 | 12% | 0.123 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 132.5 | -178.1 | -63 | -57.2 | 0 | 0 | 0 | 109.8 | Y30 W31 V49 I56 | Y30-I34 HydrophobicContact CD1-CG1 4.1Å; Y30-I34 HydrophobicContact CD2-CG1 4.29Å; Y30-I34 HydrophobicContact CE1-CD1 4.49Å; Y30-I34 HydrophobicContact CE1-CG1 3.69Å; Y30-I34 HydrophobicContact CE2-CD1 3.99Å; Y30-I34 HydrophobicContact CE2-CG1 3.88Å; Y30-I34 HydrophobicContact CG-CG1 4.39Å; Y30-I34 WeakPolarHBondContact O-CG1 3.29Å; Y30-I34 PolarHBondContact O-N 3.04Å; W31-I34 HydrophobicContact CE3-CB 4.17Å; W31-I34 HydrophobicContact CE3-CG2 4.17Å; W31-I34 HydrophobicContact CZ3-CB 4.49Å; W31-I34 HydrophobicContact CZ3-CG2 4.04Å; I34-V49 HydrophobicContact CD1-CG1 4.01Å; I34-V49 HydrophobicContact CG2-CG1 3.58Å; I34-I56 HydrophobicContact CD1-CD1 3.84Å |
| 35 | G | 90.8 | Very high | 90.4 | Very high | 28 Ų | 28 | 92 Ų | 92 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 173.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | E37 Q50 | G35-E37 VanDerWaalsContact C-N 3.29Å; G35-E37 PolarHBondContact O-N 3.23Å; G35-Q50 PolarHBondContact N-O 3.03Å |
| 36 | D | 90.6 | Very high | 90.4 | Very high | 172 Ų | 172 | 89.1 Ų | 89.1 | 92% | 0.92 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -16.7 | -175 | -60.5 | -36 | 0 | 0 | 0 | 114 | V38 | D36-V38 PolarHBondContact O-N 3.47Å |
| 37 | E | 91.5 | Very high | 90.5 | Very high | 71 Ų | 71 | 88.6 Ų | 88.6 | 33% | 0.332 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 119.3 | -175.4 | -167 | -175.6 | -177 | 0 | 0 | 112.3 | G35 R39 Q50 | G35-E37 VanDerWaalsContact C-N 3.29Å; G35-E37 PolarHBondContact O-N 3.23Å; E37-R39 VanDerWaalsContact CD-CZ 3.47Å; E37-R39 HydrophobicContact CG-CG 4.36Å; E37-R39 IonicContact OE1-CZ 2.99Å; E37-R39 IonicContact OE1-NE 2.75Å; E37-R39 PolarHBondContact OE1-NE 3.49Å; E37-R39 IonicContact OE1-NH2 2.7Å; E37-R39 PolarHBondContact OE1-NH2 2.75Å; E37-R39 IonicContact OE2-CZ 3.38Å; E37-R39 IonicContact OE2-NE 3.88Å; E37-R39 IonicContact OE2-NH1 3.99Å; E37-R39 IonicContact OE2-NH2 2.79Å; E37-R39 PolarHBondContact OE2-NH2 3.14Å; E37-Q50 HydrophobicContact CB-CB 3.91Å; E37-Q50 VanDerWaalsContact CB-OE1 3.25Å; E37-Q50 WeakPolarHBondContact O-CB 3.09Å; E37-Q50 PolarHBondContact O-N 2.9Å; E37-Q50 PolarHBondContact OE2-OE1 3.15Å |
| 38 | V | 92 | Very high | 90.6 | Very high | 88 Ų | 88 | 84.6 Ų | 84.6 | 53% | 0.533 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 118.5 | 171.5 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | D36 V47 G48 | D36-V38 PolarHBondContact O-N 3.47Å; V38-V47 HydrophobicContact CG1-CG1 3.42Å; V38-V47 VanDerWaalsContact CG1-CG1 3.42Å; V38-G48 CarbonylContact C-O 3.56Å |
| 39 | R | 90.8 | Very high | 90.6 | Very high | 62 Ų | 62 | 78.1 Ų | 78.1 | 23% | 0.234 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 104.3 | 177.3 | -63.3 | -170 | -179.1 | 118 | 1.3 | 110.6 | L5 P6 E37 V47 G48 | L5-R39 HydrophobicContact CD2-CB 4.05Å; P6-R39 VanDerWaalsContact CG-NH1 3.28Å; E37-R39 VanDerWaalsContact CD-CZ 3.47Å; E37-R39 HydrophobicContact CG-CG 4.36Å; E37-R39 IonicContact OE1-CZ 2.99Å; E37-R39 IonicContact OE1-NE 2.75Å; E37-R39 PolarHBondContact OE1-NE 3.49Å; E37-R39 IonicContact OE1-NH2 2.7Å; E37-R39 PolarHBondContact OE1-NH2 2.75Å; E37-R39 IonicContact OE2-CZ 3.38Å; E37-R39 IonicContact OE2-NE 3.88Å; E37-R39 IonicContact OE2-NH1 3.99Å; E37-R39 IonicContact OE2-NH2 2.79Å; E37-R39 PolarHBondContact OE2-NH2 3.14Å; R39-V47 WeakPolarHBondContact O-CA 3.41Å; R39-G48 PolarHBondContact N-O 3.04Å; R39-G48 PolarHBondContact O-N 2.79Å |
| 40 | R | 90.4 | Very high | 90.7 | Very high | 174 Ų | 174 | 74.6 Ų | 74.6 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | trans | -127.1 | 143.8 | 175.5 | 179.1 | 173.7 | 174.3 | -179 | -4.1 | 109.9 | V47 | R40-V47 HydrophobicContact CB-CG1 4.35Å; R40-V47 HydrophobicContact CB-CG2 4.13Å; R40-V47 HydrophobicContact CG-CG2 3.99Å | ||
| 41 | K | 87.6 | Confident | 90.8 | Very high | 141 Ų | 141 | 70.1 Ų | 70.1 | 61% | 0.613 | 35% | 0.353 | S | S | * | . | trans | -126.6 | -80.4 | 176.6 | -172.8 | -178.2 | -178.6 | -174.8 | 0 | 111.9 | H4 E45 | H4-K41 HydrophobicContact CB-CB 4.28Å; H4-K41 HydrophobicContact CB-CD 4.46Å; K41-E45 WeakPolarHBondContact CB-OE2 3.45Å | ||
| 42 | A | 84.6 | Confident | 90.7 | Very high | 33 Ų | 33 | 66.7 Ų | 66.7 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | trans | -97.8 | 159.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D44 E45 | A42-D44 WeakPolarHBondContact CB-OD1 3.45Å; A42-D44 PolarHBondContact O-N 3.44Å; A42-E45 HydrophobicContact CB-CB 4.32Å; A42-E45 HydrophobicContact CB-CG 3.96Å; A42-E45 PolarHBondContact O-N 2.84Å | ||
| 43 | A | 82.9 | Confident | 90.5 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 49% | 0.488 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -26.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | K60 | A43-K60 WeakPolarHBondContact O-CD 3.47Å; A43-K60 WeakPolarHBondContact O-CE 3.4Å; A43-K60 WeakPolarHBondContact O-CG 3.45Å; A43-K60 PolarHBondContact O-NZ 2.59Å |
| 44 | D | 87.2 | Confident | 90.5 | Very high | 91 Ų | 91 | 64 Ų | 64 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 8.4 | 179.4 | 68.9 | -29.4 | 0 | 0 | 0 | 113.9 | A42 T61 G62 | A42-D44 WeakPolarHBondContact CB-OD1 3.45Å; A42-D44 PolarHBondContact O-N 3.44Å; D44-T61 CarbonylContact O-C 3.6Å; D44-T61 VanDerWaalsContact O-C 3.26Å; D44-G62 WeakPolarHBondContact O-CA 3.38Å; D44-G62 PolarHBondContact O-N 2.67Å |
| 45 | E | 87.5 | Confident | 90.4 | Very high | 46 Ų | 46 | 63 Ų | 63 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -112.2 | 151.6 | 177 | -69.3 | -175.7 | 148.2 | 0 | 0 | 110.9 | H4 K41 A42 K60 | H4-E45 IonicContact CE1-OE2 3.54Å; H4-E45 IonicContact ND1-OE2 3.65Å; K41-E45 WeakPolarHBondContact CB-OE2 3.45Å; A42-E45 HydrophobicContact CB-CB 4.32Å; A42-E45 HydrophobicContact CB-CG 3.96Å; A42-E45 PolarHBondContact O-N 2.84Å; E45-K60 CarbonylContact C-O 3.26Å |
| 46 | P | 90.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.019 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 151.1 | -179.8 | 28.2 | -30.9 | 0 | 0 | 0 | 109.8 | W2 H4 L5 C58 K60 | W2-P46 VanDerWaalsContact CD1-CD 3.45Å; W2-P46 HydrophobicContact CD2-CG 3.23Å; W2-P46 HydrophobicContact CE3-CG 3.37Å; W2-P46 HydrophobicContact CG-CG 3.84Å; W2-P46 HydrophobicContact CH2-CG 3.72Å; W2-P46 HydrophobicContact CZ2-CG 3.62Å; W2-P46 HydrophobicContact CZ3-CG 3.6Å; H4-P46 PolarHBondContact NE2-O 3.46Å; L5-P46 HydrophobicContact CD1-CG 3.94Å; P46-C58 CarbonylContact C-O 2.98Å; P46-C58 WeakPolarHBondContact CA-O 3.45Å; P46-C58 WeakPolarHBondContact CB-O 3.2Å; P46-K60 VanDerWaalsContact CA-O 3.28Å; P46-K60 WeakPolarHBondContact CA-O 3.49Å; P46-K60 WeakPolarHBondContact CD-O 3.48Å |
| 47 | V | 91.8 | Very high | 90.4 | Very high | 26 Ų | 26 | 59 Ų | 59 | 16% | 0.158 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132.5 | 174.6 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | V38 R39 R40 V49 C58 | V38-V47 HydrophobicContact CG1-CG1 3.42Å; V38-V47 VanDerWaalsContact CG1-CG1 3.42Å; R39-V47 WeakPolarHBondContact O-CA 3.41Å; R40-V47 HydrophobicContact CB-CG1 4.35Å; R40-V47 HydrophobicContact CB-CG2 4.13Å; R40-V47 HydrophobicContact CG-CG2 3.99Å; V47-V49 HydrophobicContact CG1-CG2 4.08Å; V47-C58 PolarHBondContact N-O 2.92Å; V47-C58 PolarHBondContact O-N 3.09Å |
| 48 | G | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 122.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | V38 R39 I56 | V38-G48 CarbonylContact C-O 3.56Å; R39-G48 PolarHBondContact N-O 3.04Å; R39-G48 PolarHBondContact O-N 2.79Å; G48-I56 CarbonylContact C-O 3.57Å; G48-I56 WeakPolarHBondContact CA-O 3.23Å |
| 49 | V | 93.8 | Very high | 90 | Very high | 14 Ų | 14 | 57 Ų | 57 | 9% | 0.085 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124 | 175 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | I34 V47 L55 I56 | I34-V49 HydrophobicContact CD1-CG1 4.01Å; I34-V49 HydrophobicContact CG2-CG1 3.58Å; V47-V49 HydrophobicContact CG1-CG2 4.08Å; V49-L55 CarbonylContact O-C 3.57Å; V49-L55 WeakPolarHBondContact O-CA 2.78Å; V49-I56 PolarHBondContact N-O 2.81Å; V49-I56 PolarHBondContact O-N 3.27Å |
| 50 | Q | 94 | Very high | 89.8 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 34% | 0.341 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 138.1 | 176.8 | -174.6 | 165.8 | 36.3 | 0 | 0 | 109.8 | G35 E37 | G35-Q50 PolarHBondContact N-O 3.03Å; E37-Q50 HydrophobicContact CB-CB 3.91Å; E37-Q50 VanDerWaalsContact CB-OE1 3.25Å; E37-Q50 WeakPolarHBondContact O-CB 3.09Å; E37-Q50 PolarHBondContact O-N 2.9Å; E37-Q50 PolarHBondContact OE2-OE1 3.15Å |
| 51 | S | 93.2 | Very high | 89.4 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 8% | 0.077 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 171 | 173 | 74.1 | 0 | 0 | 0 | 0 | 110.1 | F33 F53 G54 I56 | F33-S51 CarbonylContact O-C 3.46Å; F33-S51 WeakPolarHBondContact O-CA 3.46Å; F33-S51 VanDerWaalsContact O-CB 3.23Å; F33-S51 WeakPolarHBondContact O-CB 3.35Å; S51-F53 PolarHBondContact O-N 3.39Å; S51-F53 VanDerWaalsContact O-N 3.15Å; S51-F53 PolarHBondContact OG-N 3.25Å; S51-G54 WeakPolarHBondContact CA-O 3.35Å; S51-G54 WeakPolarHBondContact CB-O 3.35Å; S51-G54 PolarHBondContact N-O 3.17Å; S51-G54 PolarHBondContact O-N 3.49Å; S51-G54 PolarHBondContact OG-N 2.86Å; S51-G54 PolarHBondContact OG-O 2.9Å; S51-I56 WeakPolarHBondContact OG-CG1 3.28Å |
| 52 | I | 92.9 | Very high | 89 | Confident | 115 Ų | 115 | 50 Ų | 50 | 59% | 0.59 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.3 | 173.6 | 69.2 | 165.1 | 0 | 0 | 0 | 113.1 | F33 | F33-I52 HydrophobicContact CB-CG1 4.31Å; F33-I52 HydrophobicContact CD1-CD1 3.15Å; F33-I52 HydrophobicContact CD1-CG1 3.59Å; F33-I52 HydrophobicContact CE1-CD1 3.47Å; F33-I52 VanDerWaalsContact CE1-CD1 3.47Å; F33-I52 HydrophobicContact CE1-CG1 4.38Å; F33-I52 HydrophobicContact CG-CD1 4.14Å; F33-I52 HydrophobicContact CG-CG1 4.36Å; F33-I52 PolarHBondContact O-N 3.42Å |
| 53 | F | 90.8 | Very high | 88.5 | Confident | 103 Ų | 103 | 55.8 Ų | 55.8 | 45% | 0.452 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -5.2 | 178.8 | -57.2 | -68.2 | 0 | 0 | 0 | 113.2 | S11 I25 F33 S51 | S11-F53 VanDerWaalsContact CA-O 3.29Å; S11-F53 WeakPolarHBondContact CA-O 3.49Å; I25-F53 HydrophobicContact CD1-CE2 3.78Å; F33-F53 HydrophobicContact CD1-CD2 4.46Å; F33-F53 AromaticContact CD1-CE2 3.47Å; F33-F53 HydrophobicContact CD1-CE2 3.47Å; F33-F53 VanDerWaalsContact CD1-CE2 3.47Å; F33-F53 AromaticContact CD1-CZ 3.81Å; F33-F53 HydrophobicContact CD1-CZ 3.81Å; F33-F53 AromaticContact CE1-CE2 4Å; F33-F53 HydrophobicContact CE1-CE2 4Å; F33-F53 AromaticContact CE1-CZ 3.88Å; F33-F53 HydrophobicContact CE1-CZ 3.88Å; F33-F53 HydrophobicContact CG-CE2 4.46Å; S51-F53 PolarHBondContact O-N 3.39Å; S51-F53 VanDerWaalsContact O-N 3.15Å; S51-F53 PolarHBondContact OG-N 3.25Å |
| 54 | G | 91.7 | Very high | 87.7 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 9% | 0.093 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 117.9 | -165 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S11 S51 I56 | S11-G54 PolarHBondContact OG-O 2.84Å; S11-G54 VanDerWaalsContact OG-O 3.14Å; S51-G54 WeakPolarHBondContact CA-O 3.35Å; S51-G54 WeakPolarHBondContact CB-O 3.35Å; S51-G54 PolarHBondContact N-O 3.17Å; S51-G54 PolarHBondContact O-N 3.49Å; S51-G54 PolarHBondContact OG-N 2.86Å; S51-G54 PolarHBondContact OG-O 2.9Å; G54-I56 PolarHBondContact O-N 3.34Å |
| 55 | L | 91.9 | Very high | 86.5 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 112 | -179.9 | -164.6 | 76.3 | 0 | 0 | 0 | 110.6 | L5 P6 N9 L10 S11 V49 | L5-L55 HydrophobicContact CB-CD2 4.4Å; L5-L55 HydrophobicContact CD2-CD2 3.72Å; P6-L55 HydrophobicContact CG-CD2 4.27Å; N9-L55 WeakPolarHBondContact O-CA 3.44Å; N9-L55 WeakPolarHBondContact O-CB 3.25Å; N9-L55 PolarHBondContact O-N 3.15Å; L10-L55 WeakPolarHBondContact CA-O 3.39Å; L10-L55 HydrophobicContact CD2-CB 4.2Å; L10-L55 HydrophobicContact CD2-CD2 4.06Å; S11-L55 PolarHBondContact N-O 3.07Å; S11-L55 PolarHBondContact OG-N 2.98Å; S11-L55 PolarHBondContact OG-O 3.24Å; V49-L55 CarbonylContact O-C 3.57Å; V49-L55 WeakPolarHBondContact O-CA 2.78Å |
| 56 | I | 91.8 | Very high | 85.2 | Confident | 61 Ų | 61 | 69.5 Ų | 69.5 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 131.8 | 173.4 | -60.2 | 174.3 | 0 | 0 | 0 | 108.5 | S11 I34 G48 V49 S51 G54 | S11-I56 WeakPolarHBondContact OG-CG1 3.03Å; S11-I56 PolarHBondContact OG-N 3.35Å; I34-I56 HydrophobicContact CD1-CD1 3.84Å; G48-I56 CarbonylContact C-O 3.57Å; G48-I56 WeakPolarHBondContact CA-O 3.23Å; V49-I56 PolarHBondContact N-O 2.81Å; V49-I56 PolarHBondContact O-N 3.27Å; S51-I56 WeakPolarHBondContact OG-CG1 3.28Å; G54-I56 PolarHBondContact O-N 3.34Å |
| 57 | L | 89.6 | Confident | 84 | Confident | 55 Ų | 55 | 77.4 Ų | 77.4 | 29% | 0.288 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.3 | 174.2 | -64.2 | -179 | 0 | 0 | 0 | 110.3 | W2 L5 L10 F14 | W2-L57 HydrophobicContact CZ3-CD1 4.45Å; L5-L57 HydrophobicContact CD1-CD2 3.57Å; L5-L57 HydrophobicContact CD2-CD2 4.4Å; L5-L57 HydrophobicContact CG-CD2 4.45Å; L10-L57 HydrophobicContact CD1-CD1 4Å; L10-L57 HydrophobicContact CD2-CD1 4.09Å; L10-L57 HydrophobicContact CD2-CD2 3.84Å; L10-L57 HydrophobicContact CD2-CG 3.92Å; F14-L57 HydrophobicContact CD2-CD1 4.45Å; F14-L57 HydrophobicContact CE2-CD1 4.27Å |
| 58 | C | 88.1 | Confident | 82.6 | Confident | 56 Ų | 56 | 82.6 Ų | 82.6 | 38% | 0.378 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 165 | 177 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | P46 V47 | P46-C58 CarbonylContact C-O 2.98Å; P46-C58 WeakPolarHBondContact CA-O 3.45Å; P46-C58 WeakPolarHBondContact CB-O 3.2Å; V47-C58 PolarHBondContact N-O 2.92Å; V47-C58 PolarHBondContact O-N 3.09Å |
| 59 | G | 87.5 | Confident | 81.3 | Confident | 62 Ų | 62 | 87 Ų | 87 | 64% | 0.639 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 83.1 | -166.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 60 | K | 85.6 | Confident | 79.8 | Confident | 127 Ų | 127 | 93 Ų | 93 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | trans | -77.2 | 144.4 | -171.5 | 68.2 | -171.8 | 91.4 | 122.2 | 0 | 111.4 | A43 E45 P46 | A43-K60 WeakPolarHBondContact O-CD 3.47Å; A43-K60 WeakPolarHBondContact O-CE 3.4Å; A43-K60 WeakPolarHBondContact O-CG 3.45Å; A43-K60 PolarHBondContact O-NZ 2.59Å; E45-K60 CarbonylContact C-O 3.26Å; P46-K60 VanDerWaalsContact CA-O 3.28Å; P46-K60 WeakPolarHBondContact CA-O 3.49Å; P46-K60 WeakPolarHBondContact CD-O 3.48Å | ||
| 61 | T | 83.2 | Confident | 78.5 | Confident | 50 Ų | 50 | 97.2 Ų | 97.2 | 31% | 0.307 | 53% | 0.53 | S | S | . | . | trans | -98 | -7.4 | -175.4 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | W2 D44 R63 | W2-T61 HydrophobicContact CH2-CG2 3.84Å; W2-T61 HydrophobicContact CZ2-CG2 3.95Å; W2-T61 WeakPolarHBondContact CZ2-O 3.47Å; W2-T61 PolarHBondContact NE1-O 3.49Å; D44-T61 CarbonylContact O-C 3.6Å; D44-T61 VanDerWaalsContact O-C 3.26Å; T61-R63 PolarHBondContact O-N 3.18Å | ||
| 62 | G | 78.3 | Confident | 77.5 | Confident | 53 Ų | 53 | 104.6 Ų | 104.6 | 55% | 0.546 | 57% | 0.567 | S | S | . | * | S | Bend | trans | 68.3 | -0.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D44 | D44-G62 WeakPolarHBondContact O-CA 3.38Å; D44-G62 PolarHBondContact O-N 2.67Å |
| 63 | R | 73.9 | Confident | 76.4 | Confident | 154 Ų | 154 | 106.6 Ų | 106.6 | 58% | 0.581 | 58% | 0.576 | S | S | * | * | trans | -92.9 | 121.7 | 176.9 | -67.4 | 178.1 | 173.9 | 178.6 | -5.4 | 108.4 | T61 M65 | T61-R63 PolarHBondContact O-N 3.18Å; R63-M65 PolarHBondContact O-N 3.26Å | ||
| 64 | T | 66.3 | Low | 75.2 | Confident | 143 Ų | 143 | 106.1 Ų | 106.1 | 88% | 0.877 | 59% | 0.585 | S | S | * | * | trans | -67.5 | 88.4 | 161.7 | 37.2 | 0 | 0 | 0 | 0 | 108.2 | K66 | T64-K66 PolarHBondContact O-N 3.18Š| ||
| 65 | M | 62.1 | Low | 74 | Confident | 120 Ų | 120 | 113.9 Ų | 113.9 | 59% | 0.591 | 62% | 0.618 | S | S | * | * | trans | -64.9 | 115.6 | 169 | -73.8 | -80.3 | -166.8 | 0 | 0 | 107.2 | R63 K67 | R63-M65 PolarHBondContact O-N 3.26Å; M65-K67 PolarHBondContact O-N 3.38Å | ||
| 66 | K | 59.6 | Low | 72.8 | Confident | 221 Ų | 221 | 121 Ų | 121 | 96% | 0.961 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -65.2 | -9.1 | 165.7 | -70.1 | -172.5 | 177.5 | -176.7 | 0 | 112.2 | T64 | T64-K66 PolarHBondContact O-N 3.18Š|
| 67 | K | 64.8 | Low | 71.6 | Confident | 169 Ų | 169 | 121 Ų | 121 | 74% | 0.735 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -97.1 | 123.9 | -178.8 | -158.8 | 172.8 | -176.2 | -179.3 | 0 | 109.4 | M65 S69 | M65-K67 PolarHBondContact O-N 3.38Å; K67-S69 PolarHBondContact O-N 3.49Å |
| 68 | V | 63.5 | Low | 70.6 | Confident | 135 Ų | 135 | 127.8 Ų | 127.8 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 120 | 170.8 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | ||
| 69 | S | 64.7 | Low | 69.5 | Low | 93 Ų | 93 | 133.8 Ų | 133.8 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 124.1 | 170.4 | -61.3 | 0 | 0 | 0 | 0 | 107.3 | K67 | K67-S69 PolarHBondContact O-N 3.49Š|
| 70 | T | 62 | Low | 68.5 | Low | 141 Ų | 141 | 134.1 Ų | 134.1 | 87% | 0.865 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 121 | 173.7 | -47.7 | 0 | 0 | 0 | 0 | 108.1 | ||
| 71 | M | 67.6 | Low | 68.1 | Low | 161 Ų | 161 | 131 Ų | 131 | 79% | 0.793 | 69% | 0.692 | S | S | * | * | trans | -109.9 | 125.5 | 169.5 | -179.8 | -179.6 | -68.3 | 0 | 0 | 107.2 | ||||
| 72 | L | 70.7 | Confident | 68 | Low | 165 Ų | 165 | 133.6 Ų | 133.6 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | trans | -94.8 | 115.2 | 169.8 | -176.6 | 66.5 | 0 | 0 | 0 | 107.7 | ||||
| 73 | M | 70.2 | Confident | 68.2 | Low | 158 Ų | 158 | 136.5 Ų | 136.5 | 78% | 0.778 | 71% | 0.71 | S | S | * | * | trans | -103.9 | 115.3 | 167.1 | -176.8 | 68.8 | 78.5 | 0 | 0 | 106.8 | ||||
| 74 | C | 65.6 | Low | 68.6 | Low | 93 Ų | 93 | 131.9 Ų | 131.9 | 63% | 0.628 | 70% | 0.699 | S | S | * | * | trans | -106.5 | 116.3 | 173.1 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 75 | Q | 66.5 | Low | 69.4 | Low | 171 Ų | 171 | 129.3 Ų | 129.3 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | trans | -98.1 | 114.8 | 169.9 | -177.2 | 177.8 | -25 | 0 | 0 | 106.9 | ||||
| 76 | I | 66.9 | Low | 70.5 | Confident | 154 Ų | 154 | 126.8 Ų | 126.8 | 79% | 0.79 | 67% | 0.668 | S | S | * | * | trans | -94.7 | 118.1 | 173.4 | -56.5 | 174.2 | 0 | 0 | 0 | 106.1 | ||||
| 77 | S | 67.4 | Low | 71.7 | Confident | 59 Ų | 59 | 124.5 Ų | 124.5 | 41% | 0.413 | 65% | 0.653 | S | S | . | * | trans | -108.5 | 135.4 | 173.6 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | E79 | S77-E79 PolarHBondContact O-N 3.28Š| ||
| 78 | E | 68.9 | Low | 72.6 | Confident | 199 Ų | 199 | 120.1 Ų | 120.1 | 93% | 0.93 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -10.5 | 179.8 | -63.8 | -175.3 | 171.4 | 0 | 0 | 113 | ||
| 79 | E | 63.4 | Low | 73.7 | Confident | 181 Ų | 181 | 118.1 Ų | 118.1 | 85% | 0.846 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 17.2 | -172.5 | -70 | -169.1 | 163.5 | 0 | 0 | 115.2 | S77 S81 | S77-E79 PolarHBondContact O-N 3.28Å; E79-S81 PolarHBondContact O-N 3.39Å; E79-S81 VanDerWaalsContact O-N 3.11Å |
| 80 | E | 67.3 | Low | 74.8 | Confident | 70 Ų | 70 | 121.6 Ų | 121.6 | 33% | 0.327 | 62% | 0.619 | S | S | . | * | trans | -72.4 | 112.7 | 171.1 | -74.2 | -167.4 | 169 | 0 | 0 | 110 | V82 V84 L85 Q88 | E80-V82 PolarHBondContact O-N 3.31Å; E80-V84 HydrophobicContact CB-CB 4.38Å; E80-V84 HydrophobicContact CB-CG1 4.28Å; E80-V84 HydrophobicContact CG-CG1 4.13Å; E80-L85 HydrophobicContact CB-CD2 4.18Å; E80-L85 HydrophobicContact CB-CG 4.01Å; E80-L85 WeakPolarHBondContact OE2-CD2 3.33Å; E80-Q88 PolarHBondContact OE1-NE2 3.28Å; E80-Q88 PolarHBondContact OE2-NE2 3.21Å; E80-Q88 PolarHBondContact OE2-OE1 3.11Å | ||
| 81 | S | 77.6 | Confident | 76 | Confident | 62 Ų | 62 | 121.3 Ų | 121.3 | 43% | 0.434 | 61% | 0.608 | S | S | . | * | trans | -51 | 143.7 | 172.1 | 72.5 | 0 | 0 | 0 | 0 | 109.8 | E79 N83 V84 L85 | E79-S81 PolarHBondContact O-N 3.39Å; E79-S81 VanDerWaalsContact O-N 3.11Å; S81-N83 PolarHBondContact O-N 3.4Å; S81-V84 WeakPolarHBondContact O-CA 3.39Å; S81-V84 WeakPolarHBondContact O-CB 3.43Å; S81-V84 PolarHBondContact O-N 3.2Å; S81-V84 WeakPolarHBondContact OG-CG2 3.41Å; S81-L85 PolarHBondContact O-N 3.46Å | ||
| 82 | V | 80.4 | Confident | 76.9 | Confident | 104 Ų | 104 | 119 Ų | 119 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -48.6 | -34.4 | 179.3 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | E80 V84 L85 L86 | E80-V82 PolarHBondContact O-N 3.31Å; V82-V84 PolarHBondContact O-N 3.46Å; V82-L85 PolarHBondContact O-N 2.95Å; V82-L86 HydrophobicContact CG1-CD1 3.87Å; V82-L86 HydrophobicContact CG1-CG 4.23Å; V82-L86 WeakPolarHBondContact O-CB 3.47Å; V82-L86 WeakPolarHBondContact O-CG 3.3Å; V82-L86 PolarHBondContact O-N 2.95Å |
| 83 | N | 82 | Confident | 77.5 | Confident | 114 Ų | 114 | 116.9 Ų | 116.9 | 61% | 0.61 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.5 | -36.2 | 176.4 | -69.1 | -35.7 | 0 | 0 | 0 | 113.8 | S81 R87 | S81-N83 PolarHBondContact O-N 3.4Å; N83-R87 WeakPolarHBondContact O-CB 3.32Å; N83-R87 VanDerWaalsContact O-CG 3.24Å; N83-R87 WeakPolarHBondContact O-CG 3.49Å; N83-R87 PolarHBondContact O-N 3.38Å; N83-R87 VanDerWaalsContact O-N 3.11Å |
| 84 | V | 82.8 | Confident | 78.3 | Confident | 56 Ų | 56 | 111.5 Ų | 111.5 | 34% | 0.339 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.7 | -47.2 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | E80 S81 V82 L86 R87 Q88 | E80-V84 HydrophobicContact CB-CB 4.38Å; E80-V84 HydrophobicContact CB-CG1 4.28Å; E80-V84 HydrophobicContact CG-CG1 4.13Å; S81-V84 WeakPolarHBondContact O-CA 3.39Å; S81-V84 WeakPolarHBondContact O-CB 3.43Å; S81-V84 PolarHBondContact O-N 3.2Å; S81-V84 WeakPolarHBondContact OG-CG2 3.41Å; V82-V84 PolarHBondContact O-N 3.46Å; V84-L86 PolarHBondContact O-N 2.93Å; V84-R87 PolarHBondContact O-N 3.46Å; V84-Q88 WeakPolarHBondContact O-CG 3.39Å; V84-Q88 PolarHBondContact O-N 2.77Å |
| 85 | L | 83.4 | Confident | 79.1 | Confident | 89 Ų | 89 | 113.2 Ų | 113.2 | 47% | 0.466 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.3 | -46.8 | 177.5 | -69.3 | 169.8 | 0 | 0 | 0 | 112 | E80 S81 V82 R87 Q88 L89 | E80-L85 HydrophobicContact CB-CD2 4.18Å; E80-L85 HydrophobicContact CB-CG 4.01Å; E80-L85 WeakPolarHBondContact OE2-CD2 3.33Å; S81-L85 PolarHBondContact O-N 3.46Å; V82-L85 PolarHBondContact O-N 2.95Å; L85-R87 VanDerWaalsContact C-N 3.33Å; L85-R87 PolarHBondContact O-N 3.14Å; L85-Q88 PolarHBondContact O-N 3.48Å; L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 PolarHBondContact O-N 2.96Å |
| 86 | L | 84.7 | Confident | 79.8 | Confident | 67 Ų | 67 | 108.4 Ų | 108.4 | 35% | 0.351 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.7 | -39.4 | 177.3 | -73.8 | 173.6 | 0 | 0 | 0 | 112.2 | V82 V84 L89 W90 | V82-L86 HydrophobicContact CG1-CD1 3.87Å; V82-L86 HydrophobicContact CG1-CG 4.23Å; V82-L86 WeakPolarHBondContact O-CB 3.47Å; V82-L86 WeakPolarHBondContact O-CG 3.3Å; V82-L86 PolarHBondContact O-N 2.95Å; V84-L86 PolarHBondContact O-N 2.93Å; L86-L89 PolarHBondContact O-N 3.42Å; L86-W90 PolarHBondContact O-N 3.44Å |
| 87 | R | 84.9 | Confident | 80.5 | Confident | 173 Ų | 173 | 106.7 Ų | 106.7 | 65% | 0.653 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.8 | -44.9 | 175.1 | -79.6 | 176 | -177 | -82.6 | -0.2 | 111.8 | N83 V84 L85 L89 W90 Q91 | N83-R87 WeakPolarHBondContact O-CB 3.32Å; N83-R87 VanDerWaalsContact O-CG 3.24Å; N83-R87 WeakPolarHBondContact O-CG 3.49Å; N83-R87 PolarHBondContact O-N 3.38Å; N83-R87 VanDerWaalsContact O-N 3.11Å; V84-R87 PolarHBondContact O-N 3.46Å; L85-R87 VanDerWaalsContact C-N 3.33Å; L85-R87 PolarHBondContact O-N 3.14Å; R87-L89 VanDerWaalsContact C-N 3.34Å; R87-W90 PolarHBondContact O-N 2.91Å; R87-Q91 WeakPolarHBondContact O-CB 3.22Å; R87-Q91 WeakPolarHBondContact O-CG 3.34Å; R87-Q91 PolarHBondContact O-N 2.96Å |
| 88 | Q | 85 | Confident | 81 | Confident | 78 Ų | 78 | 110.6 Ų | 110.6 | 36% | 0.364 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.6 | -43.1 | 177.3 | -71.8 | 176.3 | 1.5 | 0 | 0 | 111.2 | E80 V84 L85 Q91 L92 | E80-Q88 PolarHBondContact OE1-NE2 3.28Å; E80-Q88 PolarHBondContact OE2-NE2 3.21Å; E80-Q88 PolarHBondContact OE2-OE1 3.11Å; V84-Q88 WeakPolarHBondContact O-CG 3.39Å; V84-Q88 PolarHBondContact O-N 2.77Å; L85-Q88 PolarHBondContact O-N 3.48Å; Q88-Q91 PolarHBondContact O-N 3.31Å; Q88-L92 WeakPolarHBondContact O-CG 3.41Å; Q88-L92 PolarHBondContact O-N 2.88Å |
| 89 | L | 85.7 | Confident | 81.1 | Confident | 93 Ų | 93 | 106.1 Ų | 106.1 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.2 | -49.3 | 176.3 | -172.6 | 73.2 | 0 | 0 | 0 | 111.4 | L85 L86 R87 Q91 L92 D93 | L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 PolarHBondContact O-N 2.96Å; L86-L89 PolarHBondContact O-N 3.42Å; R87-L89 VanDerWaalsContact C-N 3.34Å; L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 3.23Å; L89-L92 WeakPolarHBondContact O-CB 3.33Å; L89-L92 PolarHBondContact O-N 3.46Å; L89-D93 PolarHBondContact O-N 2.93Å |
| 90 | W | 88.3 | Confident | 81.3 | Confident | 166 Ų | 166 | 106 Ų | 106 | 63% | 0.629 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.2 | -32 | 178.3 | -67.1 | -19.5 | 0 | 0 | 0 | 113.4 | L86 R87 L92 D93 A94 | L86-W90 PolarHBondContact O-N 3.44Å; R87-W90 PolarHBondContact O-N 2.91Å; W90-L92 VanDerWaalsContact C-N 3.34Å; W90-D93 PolarHBondContact O-N 3.29Å; W90-A94 WeakPolarHBondContact O-CB 3.42Å; W90-A94 PolarHBondContact O-N 2.91Å |
| 91 | Q | 86.4 | Confident | 81.1 | Confident | 135 Ų | 135 | 110 Ų | 110 | 63% | 0.631 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.2 | -39.7 | 172.7 | -78.8 | 174.6 | -26 | 0 | 0 | 111.5 | R87 Q88 L89 A94 I95 | R87-Q91 WeakPolarHBondContact O-CB 3.22Å; R87-Q91 WeakPolarHBondContact O-CG 3.34Å; R87-Q91 PolarHBondContact O-N 2.96Å; Q88-Q91 PolarHBondContact O-N 3.31Å; L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 3.23Å; Q91-A94 PolarHBondContact O-N 3.43Å; Q91-I95 WeakPolarHBondContact O-CG1 3.21Å; Q91-I95 PolarHBondContact O-N 3.43Å |
| 92 | L | 86.7 | Confident | 80 | Confident | 113 Ų | 113 | 115 Ų | 115 | 59% | 0.592 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.1 | -44.4 | 174.3 | -73.6 | 170.6 | 0 | 0 | 0 | 111.7 | Q88 L89 W90 A94 I95 | Q88-L92 WeakPolarHBondContact O-CG 3.41Å; Q88-L92 PolarHBondContact O-N 2.88Å; L89-L92 WeakPolarHBondContact O-CB 3.33Å; L89-L92 PolarHBondContact O-N 3.46Å; W90-L92 VanDerWaalsContact C-N 3.34Å; L92-A94 VanDerWaalsContact C-N 3.26Å; L92-A94 PolarHBondContact O-N 3.43Å; L92-I95 HydrophobicContact CD2-CD1 3.8Å; L92-I95 VanDerWaalsContact O-CB 3.32Å; L92-I95 WeakPolarHBondContact O-CB 3.44Å; L92-I95 VanDerWaalsContact O-CG1 3.3Å; L92-I95 WeakPolarHBondContact O-CG1 3.24Å; L92-I95 PolarHBondContact O-N 3.11Å; L92-I95 VanDerWaalsContact O-N 3.14Å |
| 93 | D | 84.4 | Confident | 78.7 | Confident | 119 Ų | 119 | 116.1 Ų | 116.1 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.3 | -29.7 | 176.2 | -84.5 | -4.3 | 0 | 0 | 0 | 112.7 | L89 W90 I95 | L89-D93 PolarHBondContact O-N 2.93Å; W90-D93 PolarHBondContact O-N 3.29Å; D93-I95 VanDerWaalsContact C-N 3.25Å; D93-I95 PolarHBondContact O-N 3.36Å |
| 94 | A | 85.2 | Confident | 77.1 | Confident | 45 Ų | 45 | 114.6 Ų | 114.6 | 37% | 0.372 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -5.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | W90 Q91 L92 G96 I97 | W90-A94 WeakPolarHBondContact O-CB 3.42Å; W90-A94 PolarHBondContact O-N 2.91Å; Q91-A94 PolarHBondContact O-N 3.43Å; L92-A94 VanDerWaalsContact C-N 3.26Å; L92-A94 PolarHBondContact O-N 3.43Å; A94-G96 PolarHBondContact O-N 2.93Å; A94-G96 VanDerWaalsContact O-N 3.1Å; A94-I97 HydrophobicContact CB-CD1 4.36Å; A94-I97 WeakPolarHBondContact O-CB 3.42Å; A94-I97 PolarHBondContact O-N 3.42Å |
| 95 | I | 83.7 | Confident | 75.3 | Confident | 129 Ų | 129 | 116.7 Ų | 116.7 | 66% | 0.662 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 119.3 | 176.4 | -65.1 | 174.6 | 0 | 0 | 0 | 109 | Q91 L92 D93 | Q91-I95 WeakPolarHBondContact O-CG1 3.21Å; Q91-I95 PolarHBondContact O-N 3.43Å; L92-I95 HydrophobicContact CD2-CD1 3.8Å; L92-I95 VanDerWaalsContact O-CB 3.32Å; L92-I95 WeakPolarHBondContact O-CB 3.44Å; L92-I95 VanDerWaalsContact O-CG1 3.3Å; L92-I95 WeakPolarHBondContact O-CG1 3.24Å; L92-I95 PolarHBondContact O-N 3.11Å; L92-I95 VanDerWaalsContact O-N 3.14Å; D93-I95 VanDerWaalsContact C-N 3.25Å; D93-I95 PolarHBondContact O-N 3.36Å |
| 96 | G | 80.7 | Confident | 73.4 | Confident | 71 Ų | 71 | 117.3 Ų | 117.3 | 73% | 0.732 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.7 | -3.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A94 I98 | A94-G96 PolarHBondContact O-N 2.93Å; A94-G96 VanDerWaalsContact O-N 3.1Å; G96-I98 PolarHBondContact O-N 3.1Å |
| 97 | I | 81.5 | Confident | 71.5 | Confident | 118 Ų | 118 | 126 Ų | 126 | 61% | 0.605 | 67% | 0.671 | S | S | * | * | trans | -82.8 | 104.3 | 167.4 | -53.7 | -176.4 | 0 | 0 | 0 | 107.8 | A94 | A94-I97 HydrophobicContact CB-CD1 4.36Å; A94-I97 WeakPolarHBondContact O-CB 3.42Å; A94-I97 PolarHBondContact O-N 3.42Å | ||
| 98 | I | 78 | Confident | 69.4 | Low | 140 Ų | 140 | 122.8 Ų | 122.8 | 72% | 0.718 | 68% | 0.682 | S | S | * | * | trans | -84.1 | 126.3 | 174.1 | -51.5 | 174.4 | 0 | 0 | 0 | 106.9 | G96 E100 | G96-I98 PolarHBondContact O-N 3.1Å; I98-E100 PolarHBondContact O-N 2.91Å | ||
| 99 | P | 70.7 | Confident | 67.4 | Low | 105 Ų | 105 | 122.7 Ų | 122.7 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | trans | -62 | 129 | 173.4 | 25.2 | -30.7 | 0 | 0 | 0 | 108.6 | E101 | P99-E101 PolarHBondContact O-N 3.29Š| ||
| 100 | E | 68.5 | Low | 65.6 | Low | 179 Ų | 179 | 130.4 Ų | 130.4 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | trans | -60.1 | 103.4 | 171.5 | -68.7 | -74.9 | 155.1 | 0 | 0 | 107.7 | I98 N102 | I98-E100 PolarHBondContact O-N 2.91Å; E100-N102 PolarHBondContact O-N 2.92Å | ||
| 101 | E | 62.8 | Low | 63.9 | Low | 155 Ų | 155 | 131.1 Ų | 131.1 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | trans | -61.5 | 113.8 | 168.2 | -73.2 | -168.9 | 176.2 | 0 | 0 | 107.1 | P99 N103 | P99-E101 PolarHBondContact O-N 3.29Å; E101-N103 PolarHBondContact O-N 3.48Å; E101-N103 PolarHBondContact OE2-ND2 3.01Å | ||
| 102 | N | 55.3 | Low | 62.3 | Low | 166 Ų | 166 | 130.9 Ų | 130.9 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | trans | -72.9 | 59.7 | 177.9 | -154 | 14.8 | 0 | 0 | 0 | 109.9 | E100 | E100-N102 PolarHBondContact O-N 2.92Š| ||
| 103 | N | 51.3 | Low | 60.7 | Low | 127 Ų | 127 | 132.6 Ų | 132.6 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | -93.1 | 99.9 | 168.3 | -81.6 | -26.1 | 0 | 0 | 0 | 106.7 | E101 S105 | E101-N103 PolarHBondContact O-N 3.48Å; E101-N103 PolarHBondContact OE2-ND2 3.01Å; N103-S105 PolarHBondContact O-N 3.43Å | ||
| 104 | G | 48.5 | Very low | 59.4 | Low | 82 Ų | 82 | 136.2 Ų | 136.2 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -58.6 | 95.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 105 | S | 46.3 | Very low | 57.8 | Low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -171.2 | 111.2 | 148.7 | -160.6 | 0 | 0 | 0 | 0 | 111.5 | N103 | N103-S105 PolarHBondContact O-N 3.43Š| ||
| 106 | S | 43.4 | Very low | 56.5 | Low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 62.5 | 104.7 | 134.2 | -43.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 107 | R | 43.3 | Very low | 55.7 | Low | 248 Ų | 248 | 143.5 Ų | 143.5 | 94% | 0.936 | 79% | 0.793 | S | S | * | * | trans | 65.8 | 122.5 | 135.5 | -77.2 | 173 | 70.5 | 174 | 0.6 | 120.5 | ||||
| 108 | A | 41 | Very low | 54.7 | Low | 107 Ų | 107 | 146 Ų | 146 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | 103.3 | 108.4 | 140.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 109 | G | 43.3 | Very low | 53.9 | Low | 76 Ų | 76 | 148.1 Ų | 148.1 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | 144.4 | 48.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H111 | G109-H111 VanDerWaalsContact C-N 3.31Å; G109-H111 PolarHBondContact O-N 2.73Å | ||
| 110 | R | 49.2 | Very low | 53.5 | Low | 255 Ų | 255 | 150 Ų | 150 | 96% | 0.962 | 81% | 0.811 | S | S | * | * | trans | -72 | 86.1 | 173.1 | -71.2 | -176.8 | -171.2 | 170.2 | 2.2 | 109.5 | ||||
| 111 | H | 52.2 | Low | 52.8 | Low | 181 Ų | 181 | 143.9 Ų | 143.9 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -86.7 | 120.1 | 158.2 | -116 | -89.5 | 0 | 0 | 0 | 108 | G109 L113 | G109-H111 VanDerWaalsContact C-N 3.31Å; G109-H111 PolarHBondContact O-N 2.73Å; H111-L113 PolarHBondContact O-N 3.26Å | ||
| 112 | C | 51.4 | Low | 52.2 | Low | 130 Ų | 130 | 148.9 Ų | 148.9 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | -63.5 | 99.4 | -170.4 | -153.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 113 | L | 54 | Low | 52 | Low | 148 Ų | 148 | 148 Ų | 148 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 128.1 | 166.2 | -61.1 | 178.6 | 0 | 0 | 0 | 107.6 | H111 | H111-L113 PolarHBondContact O-N 3.26Š|
| 114 | K | 57.1 | Low | 52.1 | Low | 196 Ų | 196 | 149.1 Ų | 149.1 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -53 | 141.5 | 177.3 | -79.1 | 178.9 | 175.6 | 174 | 0 | 109.7 | ||
| 115 | P | 52 | Low | 52.3 | Low | 109 Ų | 109 | 152.8 Ų | 152.8 | 71% | 0.708 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 144.7 | 178.2 | 26.3 | -31.7 | 0 | 0 | 0 | 110 | I117 | P115-I117 PolarHBondContact O-N 3.06Š|
| 116 | P | 55.4 | Low | 52.6 | Low | 117 Ų | 117 | 155.9 Ų | 155.9 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 134.5 | 177.7 | 25.5 | -31.5 | 0 | 0 | 0 | 109.5 | Q118 | P116-Q118 PolarHBondContact O-N 3.11Š|
| 117 | I | 64.8 | Low | 53.2 | Low | 172 Ų | 172 | 159.3 Ų | 159.3 | 88% | 0.882 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 116.6 | 178 | -59.2 | 170.1 | 0 | 0 | 0 | 107.3 | P115 | P115-I117 PolarHBondContact O-N 3.06Š|
| 118 | Q | 60 | Low | 53.9 | Low | 170 Ų | 170 | 153.3 Ų | 153.3 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -91 | 128 | 170.5 | -69.8 | -167.9 | -68.2 | 0 | 0 | 109.6 | P116 | P116-Q118 PolarHBondContact O-N 3.11Š|
| 119 | F | 61.7 | Low | 54.8 | Low | 185 Ų | 185 | 156.6 Ų | 156.6 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 123.1 | 174 | -177.7 | -104.4 | 0 | 0 | 0 | 109.4 | G121 | F119-G121 VanDerWaalsContact CE1-CA 3.49Š|
| 120 | N | 62.6 | Low | 55.7 | Low | 143 Ų | 143 | 162.8 Ų | 162.8 | 77% | 0.765 | 83% | 0.829 | S | S | * | * | trans | -94.9 | 8.7 | -172.7 | -69.8 | -0.5 | 0 | 0 | 0 | 114.8 | E122 | N120-E122 PolarHBondContact O-N 2.82Å; N120-E122 VanDerWaalsContact O-N 3.11Å | ||
| 121 | G | 52.3 | Low | 56.2 | Low | 52 Ų | 52 | 155.2 Ų | 155.2 | 54% | 0.536 | 82% | 0.817 | S | S | . | * | trans | 51.9 | 38.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | F119 | F119-G121 VanDerWaalsContact CE1-CA 3.49Š| ||
| 122 | E | 51 | Low | 56.6 | Low | 259 Ų | 259 | 152.8 Ų | 152.8 | 100% | 1.21 | 82% | 0.816 | S | S | * | * | trans | -64.5 | 0 | 159.2 | -66 | -169.6 | 175.3 | 0 | 0 | 111.4 | N120 | N120-E122 PolarHBondContact O-N 2.82Å; N120-E122 VanDerWaalsContact O-N 3.11Å |
Retrieved 122 of 122 residues in 105.6 ms
(Link to these results)