| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.2 | Very low | 55.8 | Low | 241 Ų | 241 | 118.3 Ų | 118.3 | 100% | 1.187 | 68% | 0.678 | S | S | * | * | 0 | 103.5 | 0 | -91.3 | 167.6 | 147.9 | 0 | 0 | 107 | Q3 | M1-Q3 PolarHBondContact O-N 3.39Š| |||
| 2 | G | 43.5 | Very low | 58.6 | Low | 75 Ų | 75 | 116.4 Ų | 116.4 | 77% | 0.773 | 66% | 0.664 | S | S | * | * | trans | -70.2 | 119.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | T4 | G2-T4 VanDerWaalsContact C-N 3.29Å; G2-T4 PolarHBondContact O-N 3.01Å; G2-T4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | Q | 43.7 | Very low | 61.2 | Low | 179 Ų | 179 | 116.6 Ų | 116.6 | 84% | 0.836 | 66% | 0.656 | S | S | * | * | trans | -71.3 | 99 | 159.2 | -74.1 | -179.2 | 17 | 0 | 0 | 105.3 | M1 T5 | M1-Q3 PolarHBondContact O-N 3.39Å; Q3-T5 PolarHBondContact O-N 3.34Å | ||
| 4 | T | 43.8 | Very low | 63.5 | Low | 136 Ų | 136 | 111.4 Ų | 111.4 | 83% | 0.834 | 63% | 0.625 | S | S | * | * | trans | -72.9 | 86.4 | 160.6 | -46.9 | 0 | 0 | 0 | 0 | 104.8 | G2 E6 | G2-T4 VanDerWaalsContact C-N 3.29Å; G2-T4 PolarHBondContact O-N 3.01Å; G2-T4 VanDerWaalsContact O-N 3.09Å; T4-E6 PolarHBondContact O-N 3.12Å; T4-E6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | T | 53.3 | Low | 65.6 | Low | 107 Ų | 107 | 112.2 Ų | 112.2 | 66% | 0.656 | 61% | 0.614 | S | S | * | * | trans | -57.8 | 118.5 | 166.8 | -3.2 | 0 | 0 | 0 | 0 | 105.8 | Q3 V7 | Q3-T5 PolarHBondContact O-N 3.34Å; T5-V7 PolarHBondContact O-N 2.71Å | ||
| 6 | E | 49.5 | Very low | 67.5 | Low | 171 Ų | 171 | 113.6 Ų | 113.6 | 80% | 0.799 | 61% | 0.613 | S | S | * | * | trans | -51.9 | 109 | 165 | -74.5 | 179.5 | 162.8 | 0 | 0 | 106.1 | T4 T8 | T4-E6 PolarHBondContact O-N 3.12Å; T4-E6 VanDerWaalsContact O-N 3.15Å; E6-T8 PolarHBondContact O-N 2.79Å | ||
| 7 | V | 52.6 | Low | 69.2 | Low | 87 Ų | 87 | 110.2 Ų | 110.2 | 53% | 0.527 | 60% | 0.597 | S | S | . | * | trans | -63.3 | 106.5 | 176.4 | -178.9 | 0 | 0 | 0 | 0 | 104.8 | T5 D11 D12 | T5-V7 PolarHBondContact O-N 2.71Å; V7-D11 HydrophobicContact CG1-CB 3.91Å; V7-D12 WeakPolarHBondContact CG1-OD1 3.47Å | ||
| 8 | T | 55.5 | Low | 70.7 | Confident | 74 Ų | 74 | 104.2 Ų | 104.2 | 45% | 0.454 | 56% | 0.564 | S | S | . | * | trans | -72.9 | 151.3 | -177.5 | 64.6 | 0 | 0 | 0 | 0 | 108.2 | E6 N10 D11 D12 | E6-T8 PolarHBondContact O-N 2.79Å; T8-N10 PolarHBondContact O-N 3.16Å; T8-D11 PolarHBondContact N-OD2 3.16Å; T8-D11 WeakPolarHBondContact O-CB 3.5Å; T8-D11 PolarHBondContact O-N 3.15Å; T8-D11 PolarHBondContact OG1-OD2 2.74Å; T8-D12 PolarHBondContact O-N 3.22Å | ||
| 9 | S | 70.2 | Confident | 72.1 | Confident | 91 Ų | 91 | 101 Ų | 101 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -47.6 | -30.9 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 113.6 | E13 | S9-E13 PolarHBondContact O-N 2.7Å |
| 10 | N | 78.5 | Confident | 73.4 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.1 | -31.8 | 178.6 | -179.9 | 77.5 | 0 | 0 | 0 | 112.7 | T8 L14 | T8-N10 PolarHBondContact O-N 3.16Å; N10-L14 WeakPolarHBondContact O-CG 3.46Å; N10-L14 PolarHBondContact O-N 2.83Å |
| 11 | D | 84.9 | Confident | 74.5 | Confident | 57 Ų | 57 | 95.4 Ų | 95.4 | 31% | 0.305 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.5 | -44.7 | 177.6 | -62.5 | -37.3 | 0 | 0 | 0 | 110.4 | V7 T8 E13 L14 W15 | V7-D11 HydrophobicContact CG1-CB 3.91Å; T8-D11 PolarHBondContact N-OD2 3.16Å; T8-D11 WeakPolarHBondContact O-CB 3.5Å; T8-D11 PolarHBondContact O-N 3.15Å; T8-D11 PolarHBondContact OG1-OD2 2.74Å; D11-E13 VanDerWaalsContact C-N 3.27Å; D11-E13 PolarHBondContact O-N 3.05Å; D11-L14 WeakPolarHBondContact O-CA 3.46Å; D11-L14 WeakPolarHBondContact O-CB 3.41Å; D11-L14 PolarHBondContact O-N 3.09Å; D11-W15 PolarHBondContact O-N 3.34Å |
| 12 | D | 89.9 | Confident | 77.4 | Confident | 96 Ų | 96 | 83.9 Ų | 83.9 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.3 | -41.2 | 176.6 | -75.1 | -21.1 | 0 | 0 | 0 | 112.2 | V7 T8 W15 K16 | V7-D12 WeakPolarHBondContact CG1-OD1 3.47Å; T8-D12 PolarHBondContact O-N 3.22Å; D12-W15 PolarHBondContact O-N 3.17Å; D12-K16 WeakPolarHBondContact O-CB 3.45Å; D12-K16 PolarHBondContact O-N 2.95Å |
| 13 | E | 92.4 | Very high | 80 | Confident | 119 Ų | 119 | 85.3 Ų | 85.3 | 56% | 0.556 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.5 | -39 | 175.4 | -72.5 | -179.9 | -179 | 0 | 0 | 112.5 | S9 D11 T17 | S9-E13 PolarHBondContact O-N 2.7Å; D11-E13 VanDerWaalsContact C-N 3.27Å; D11-E13 PolarHBondContact O-N 3.05Å; E13-T17 VanDerWaalsContact O-CB 3.32Å; E13-T17 WeakPolarHBondContact O-CB 3.47Å; E13-T17 PolarHBondContact O-N 2.73Å; E13-T17 PolarHBondContact O-OG1 3.23Å |
| 14 | L | 93 | Very high | 82.5 | Confident | 43 Ų | 43 | 82.8 Ų | 82.8 | 23% | 0.225 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 175.4 | -70.8 | 171.3 | 0 | 0 | 0 | 111.7 | N10 D11 T17 A18 P85 L95 | N10-L14 WeakPolarHBondContact O-CG 3.46Å; N10-L14 PolarHBondContact O-N 2.83Å; D11-L14 WeakPolarHBondContact O-CA 3.46Å; D11-L14 WeakPolarHBondContact O-CB 3.41Å; D11-L14 PolarHBondContact O-N 3.09Å; L14-T17 PolarHBondContact O-N 2.65Å; L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 3.27Å; L14-P85 HydrophobicContact CB-CB 4.28Å; L14-P85 HydrophobicContact CB-CG 4.34Å; L14-L95 HydrophobicContact CD2-CD1 3.9Å |
| 15 | W | 95.2 | Very high | 85.1 | Confident | 124 Ų | 124 | 76.9 Ų | 76.9 | 47% | 0.47 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 176.2 | -77.4 | 105.3 | 0 | 0 | 0 | 111.9 | D11 D12 A18 S19 Q84 P85 | D11-W15 PolarHBondContact O-N 3.34Å; D12-W15 PolarHBondContact O-N 3.17Å; W15-A18 PolarHBondContact O-N 2.98Å; W15-S19 PolarHBondContact O-N 2.96Å; W15-Q84 HydrophobicContact CH2-CB 4.1Å; W15-Q84 HydrophobicContact CH2-CG 4.25Å; W15-Q84 HydrophobicContact CZ3-CB 3.75Å; W15-Q84 HydrophobicContact CZ3-CG 3.75Å; W15-P85 HydrophobicContact CD2-CG 3.86Å; W15-P85 VanDerWaalsContact CE3-CD 3.43Å; W15-P85 HydrophobicContact CE3-CG 4.24Å; W15-P85 HydrophobicContact CG-CG 4.17Å; W15-P85 HydrophobicContact CZ2-CG 4.36Å |
| 16 | K | 96.2 | Very high | 87.3 | Confident | 135 Ų | 135 | 71.8 Ų | 71.8 | 59% | 0.587 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.4 | -47.4 | 175 | -176.7 | 179.7 | 175.8 | -176.4 | 0 | 111.4 | D12 A18 S19 E20 | D12-K16 WeakPolarHBondContact O-CB 3.45Å; D12-K16 PolarHBondContact O-N 2.95Å; K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 2.87Å; K16-S19 PolarHBondContact O-N 2.62Å; K16-E20 WeakPolarHBondContact CE-OE1 3.48Å; K16-E20 WeakPolarHBondContact O-CG 3.29Å; K16-E20 PolarHBondContact O-N 3.36Å |
| 17 | T | 95.6 | Very high | 89.6 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 34% | 0.344 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 177.5 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | E13 L14 A21 L95 W128 | E13-T17 VanDerWaalsContact O-CB 3.32Å; E13-T17 WeakPolarHBondContact O-CB 3.47Å; E13-T17 PolarHBondContact O-N 2.73Å; E13-T17 PolarHBondContact O-OG1 3.23Å; L14-T17 PolarHBondContact O-N 2.65Å; T17-A21 WeakPolarHBondContact O-CB 3.47Å; T17-A21 PolarHBondContact O-N 2.88Å; T17-L95 HydrophobicContact CG2-CD2 4.03Å; T17-W128 HydrophobicContact CG2-CZ2 4.07Å |
| 18 | A | 96.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L14 W15 K16 A21 G22 C83 P85 V97 | L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 3.27Å; W15-A18 PolarHBondContact O-N 2.98Å; K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 2.87Å; A18-A21 PolarHBondContact O-N 3.33Å; A18-G22 PolarHBondContact O-N 3.33Å; A18-C83 VanDerWaalsContact O-CB 3.24Å; A18-C83 WeakPolarHBondContact O-CB 3.27Å; A18-P85 HydrophobicContact CB-CB 4.34Å; A18-V97 HydrophobicContact CB-CG1 3.85Å; A18-V97 HydrophobicContact CB-CG2 4.01Å |
| 19 | S | 97.3 | Very high | 93.8 | Very high | 44 Ų | 44 | 64 Ų | 64 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.6 | -52.7 | 177.2 | -151.1 | 0 | 0 | 0 | 0 | 111.5 | W15 K16 A21 G22 E23 | W15-S19 PolarHBondContact O-N 2.96Å; K16-S19 PolarHBondContact O-N 2.62Å; S19-A21 VanDerWaalsContact C-N 3.33Å; S19-A21 PolarHBondContact O-N 3.44Å; S19-G22 PolarHBondContact O-N 2.83Å; S19-E23 WeakPolarHBondContact O-CB 3.3Å; S19-E23 VanDerWaalsContact O-CG 3.28Å; S19-E23 WeakPolarHBondContact O-CG 3.35Å; S19-E23 PolarHBondContact O-N 3.34Å; S19-E23 PolarHBondContact OG-OE1 3.27Å |
| 20 | E | 97.5 | Very high | 95.1 | Very high | 79 Ų | 79 | 60 Ų | 60 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | -178.7 | -70.3 | -172.6 | -160.6 | 0 | 0 | 112.5 | K16 K24 | K16-E20 WeakPolarHBondContact CE-OE1 3.48Å; K16-E20 WeakPolarHBondContact O-CG 3.29Å; K16-E20 PolarHBondContact O-N 3.36Å; E20-K24 VanDerWaalsContact O-CB 3.32Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 WeakPolarHBondContact O-CD 3.44Å; E20-K24 VanDerWaalsContact O-CG 3.23Å; E20-K24 WeakPolarHBondContact O-CG 3.44Å; E20-K24 PolarHBondContact O-N 2.92Å; E20-K24 IonicContact OE2-NZ 2.66Å; E20-K24 PolarHBondContact OE2-NZ 2.63Å |
| 21 | A | 97.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 64.6 Ų | 64.6 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.6 | -51.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T17 A18 S19 F25 W128 | T17-A21 WeakPolarHBondContact O-CB 3.47Å; T17-A21 PolarHBondContact O-N 2.88Å; A18-A21 PolarHBondContact O-N 3.33Å; S19-A21 VanDerWaalsContact C-N 3.33Å; S19-A21 PolarHBondContact O-N 3.44Å; A21-F25 WeakPolarHBondContact O-CB 3.29Å; A21-F25 PolarHBondContact O-N 3.08Å; A21-W128 HydrophobicContact CB-CD2 3.88Å; A21-W128 HydrophobicContact CB-CG 4.26Å; A21-W128 HydrophobicContact CB-CH2 4.2Å; A21-W128 HydrophobicContact CB-CZ2 3.55Å |
| 22 | G | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.6 | -39.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A18 S19 F25 S26 C83 | A18-G22 PolarHBondContact O-N 3.33Å; S19-G22 PolarHBondContact O-N 2.83Å; G22-F25 PolarHBondContact O-N 3.23Å; G22-S26 VanDerWaalsContact O-CB 3.3Å; G22-S26 WeakPolarHBondContact O-CB 3.31Å; G22-S26 PolarHBondContact O-N 2.79Å; G22-S26 PolarHBondContact O-OG 3.27Å; G22-S26 VanDerWaalsContact O-OG 3.14Å; G22-C83 VanDerWaalsContact CA-SG 3.52Å |
| 23 | E | 98 | Very high | 97.1 | Very high | 105 Ų | 105 | 57.7 Ų | 57.7 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -51.2 | 175.6 | -74 | 169 | -144.4 | 0 | 0 | 111.9 | S19 A27 L81 | S19-E23 WeakPolarHBondContact O-CB 3.3Å; S19-E23 VanDerWaalsContact O-CG 3.28Å; S19-E23 WeakPolarHBondContact O-CG 3.35Å; S19-E23 PolarHBondContact O-N 3.34Å; S19-E23 PolarHBondContact OG-OE1 3.27Å; E23-A27 WeakPolarHBondContact O-CB 3.38Å; E23-A27 PolarHBondContact O-N 3.02Å; E23-L81 HydrophobicContact CG-CD2 3.77Å |
| 24 | K | 97.8 | Very high | 97.4 | Very high | 126 Ų | 126 | 54 Ų | 54 | 55% | 0.548 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 178.7 | -69.3 | 170.2 | -173.5 | 160.6 | 0 | 111 | E20 L28 | E20-K24 VanDerWaalsContact O-CB 3.32Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 WeakPolarHBondContact O-CD 3.44Å; E20-K24 VanDerWaalsContact O-CG 3.23Å; E20-K24 WeakPolarHBondContact O-CG 3.44Å; E20-K24 PolarHBondContact O-N 2.92Å; E20-K24 IonicContact OE2-NZ 2.66Å; E20-K24 PolarHBondContact OE2-NZ 2.63Å; K24-L28 WeakPolarHBondContact O-CG 3.49Å; K24-L28 PolarHBondContact O-N 3.37Å |
| 25 | F | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.8 | -54.2 | 178 | 174.2 | -86.3 | 0 | 0 | 0 | 110.8 | A21 G22 A27 L28 Y29 F44 F119 L121 W128 V130 | A21-F25 WeakPolarHBondContact O-CB 3.29Å; A21-F25 PolarHBondContact O-N 3.08Å; G22-F25 PolarHBondContact O-N 3.23Å; F25-A27 PolarHBondContact O-N 3.2Å; F25-L28 PolarHBondContact O-N 3.43Å; F25-Y29 HydrophobicContact CE1-CD2 4.35Å; F25-Y29 HydrophobicContact CE1-CG 4.01Å; F25-Y29 HydrophobicContact CZ-CD2 4.09Å; F25-Y29 HydrophobicContact CZ-CG 4.19Å; F25-Y29 VanDerWaalsContact O-CB 3.25Å; F25-Y29 WeakPolarHBondContact O-CB 3.36Å; F25-Y29 PolarHBondContact O-N 2.8Å; F25-F44 HydrophobicContact CD2-CD1 4.19Å; F25-F44 HydrophobicContact CE2-CB 4.21Å; F25-F44 AromaticContact CE2-CD1 3.6Å; F25-F44 HydrophobicContact CE2-CD1 3.6Å; F25-F44 HydrophobicContact CE2-CG 4.4Å; F25-F44 HydrophobicContact CZ-CB 4.34Å; F25-F44 AromaticContact CZ-CD1 3.95Å; F25-F44 HydrophobicContact CZ-CD1 3.95Å; F25-F119 HydrophobicContact CE1-CD1 4.13Å; F25-F119 HydrophobicContact CE1-CE1 4.26Å; F25-F119 HydrophobicContact CE1-CG 4.25Å; F25-L121 HydrophobicContact CB-CD1 3.71Å; F25-L121 HydrophobicContact CD1-CD1 3.78Å; F25-L121 HydrophobicContact CD1-CD2 3.82Å; F25-L121 HydrophobicContact CD1-CG 4.42Å; F25-L121 HydrophobicContact CD2-CD1 4.02Å; F25-L121 HydrophobicContact CD2-CD2 3.88Å; F25-L121 HydrophobicContact CE1-CD2 3.72Å; F25-L121 HydrophobicContact CE2-CD2 3.72Å; F25-L121 HydrophobicContact CG-CD1 3.53Å; F25-L121 HydrophobicContact CG-CD2 3.95Å; F25-L121 HydrophobicContact CG-CG 4.41Å; F25-L121 HydrophobicContact CZ-CD2 3.7Å; F25-W128 HydrophobicContact CD2-CB 4.31Å; F25-V130 HydrophobicContact CE1-CG2 4.02Å; F25-V130 HydrophobicContact CE2-CG2 3.84Å; F25-V130 HydrophobicContact CZ-CG2 3.23Å |
| 26 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | -176.6 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | G22 L28 Y29 Y30 L81 | G22-S26 VanDerWaalsContact O-CB 3.3Å; G22-S26 WeakPolarHBondContact O-CB 3.31Å; G22-S26 PolarHBondContact O-N 2.79Å; G22-S26 PolarHBondContact O-OG 3.27Å; G22-S26 VanDerWaalsContact O-OG 3.14Å; S26-L28 VanDerWaalsContact C-N 3.29Å; S26-L28 PolarHBondContact O-N 2.79Å; S26-Y29 PolarHBondContact O-N 2.84Å; S26-Y30 WeakPolarHBondContact O-CD2 3.27Å; S26-Y30 PolarHBondContact O-N 3.44Å; S26-L81 VanDerWaalsContact OG-CD1 3.29Å; S26-L81 WeakPolarHBondContact OG-CD1 3.45Å |
| 27 | A | 97.9 | Very high | 97.3 | Very high | 65 Ų | 65 | 54.1 Ų | 54.1 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.8 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | E23 F25 R31 | E23-A27 WeakPolarHBondContact O-CB 3.38Å; E23-A27 PolarHBondContact O-N 3.02Å; F25-A27 PolarHBondContact O-N 3.2Å; A27-R31 VanDerWaalsContact O-CB 3.3Å; A27-R31 WeakPolarHBondContact O-CB 3.41Å; A27-R31 PolarHBondContact O-N 3.26Å |
| 28 | L | 98.2 | Very high | 97.4 | Very high | 104 Ų | 104 | 52 Ų | 52 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.8 | -41.6 | 177.9 | -67.1 | 175 | 0 | 0 | 0 | 112.3 | K24 F25 S26 R31 A32 F44 | K24-L28 WeakPolarHBondContact O-CG 3.49Å; K24-L28 PolarHBondContact O-N 3.37Å; F25-L28 PolarHBondContact O-N 3.43Å; S26-L28 VanDerWaalsContact C-N 3.29Å; S26-L28 PolarHBondContact O-N 2.79Å; L28-R31 PolarHBondContact O-N 2.8Å; L28-A32 WeakPolarHBondContact O-CB 3.21Å; L28-A32 PolarHBondContact O-N 3.31Å; L28-F44 HydrophobicContact CB-CE1 3.87Å; L28-F44 HydrophobicContact CB-CZ 4.01Å |
| 29 | Y | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.6 | -54.7 | -178.5 | 171.5 | -99.4 | 0 | 0 | 0 | 111.6 | F25 S26 R31 A32 F33 L41 F44 F45 E117 F119 | F25-Y29 HydrophobicContact CE1-CD2 4.35Å; F25-Y29 HydrophobicContact CE1-CG 4.01Å; F25-Y29 HydrophobicContact CZ-CD2 4.09Å; F25-Y29 HydrophobicContact CZ-CG 4.19Å; F25-Y29 VanDerWaalsContact O-CB 3.25Å; F25-Y29 WeakPolarHBondContact O-CB 3.36Å; F25-Y29 PolarHBondContact O-N 2.8Å; S26-Y29 PolarHBondContact O-N 2.84Å; Y29-R31 VanDerWaalsContact C-N 3.29Å; Y29-R31 PolarHBondContact O-N 2.88Å; Y29-A32 CarbonylContact O-C 3.58Å; Y29-A32 WeakPolarHBondContact O-CA 3.47Å; Y29-A32 WeakPolarHBondContact O-CB 3.3Å; Y29-A32 PolarHBondContact O-N 2.93Å; Y29-F33 WeakPolarHBondContact O-CB 3.42Å; Y29-F33 PolarHBondContact O-N 3.21Å; Y29-L41 HydrophobicContact CD2-CD2 4Å; Y29-L41 HydrophobicContact CE2-CD2 3.68Å; Y29-F44 VanDerWaalsContact CA-CE1 3.5Å; Y29-F44 HydrophobicContact CD2-CB 4.22Å; Y29-F44 HydrophobicContact CD2-CD1 4.1Å; Y29-F44 HydrophobicContact CD2-CG 4.08Å; Y29-F45 HydrophobicContact CE2-CE2 4.18Å; Y29-F45 AromaticContact CE2-CZ 3.65Å; Y29-F45 HydrophobicContact CE2-CZ 3.65Å; Y29-E117 PolarHBondContact OH-OE1 3.49Å; Y29-F119 HydrophobicContact CD1-CE1 4.22Å; Y29-F119 AromaticContact CD1-CZ 3.75Å; Y29-F119 HydrophobicContact CD1-CZ 3.75Å; Y29-F119 AromaticContact CE1-CE1 3.78Å; Y29-F119 HydrophobicContact CE1-CE1 3.78Å; Y29-F119 AromaticContact CE1-CZ 3.42Å; Y29-F119 HydrophobicContact CE1-CZ 3.42Å; Y29-F119 VanDerWaalsContact CE1-CZ 3.42Å; Y29-F119 HydrophobicContact CE2-CE1 4.33Å; Y29-F119 AromaticContact CZ-CE1 3.81Å; Y29-F119 AromaticContact CZ-CZ 3.96Å |
| 30 | Y | 98.5 | Very high | 97.3 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.7 | -34.4 | -178.1 | -70.6 | -73.9 | 0 | 0 | 0 | 111.8 | S26 A32 F33 D34 C76 L78 V101 F115 E117 F119 | S26-Y30 WeakPolarHBondContact O-CD2 3.27Å; S26-Y30 PolarHBondContact O-N 3.44Å; Y30-A32 VanDerWaalsContact C-N 3.31Å; Y30-A32 PolarHBondContact O-N 2.97Å; Y30-F33 PolarHBondContact O-N 3.2Å; Y30-D34 WeakPolarHBondContact O-CB 3.35Å; Y30-D34 PolarHBondContact O-N 2.84Å; Y30-C76 HydrophobicContact CD1-CB 3.83Å; Y30-C76 HydrophobicContact CG-CB 4.42Å; Y30-L78 HydrophobicContact CD1-CD1 4.29Å; Y30-L78 HydrophobicContact CD2-CD1 3.62Å; Y30-L78 HydrophobicContact CD2-CD2 3.66Å; Y30-L78 HydrophobicContact CD2-CG 4.03Å; Y30-L78 HydrophobicContact CE2-CD1 4.09Å; Y30-L78 HydrophobicContact CE2-CD2 3.72Å; Y30-L78 HydrophobicContact CE2-CG 4.06Å; Y30-L78 HydrophobicContact CG-CD1 3.74Å; Y30-V101 HydrophobicContact CE2-CB 4.48Å; Y30-V101 HydrophobicContact CE2-CG1 3.96Å; Y30-V101 HydrophobicContact CE2-CG2 4.15Å; Y30-V101 WeakPolarHBondContact OH-CB 3.4Å; Y30-V101 VanDerWaalsContact OH-CG1 3.29Å; Y30-V101 WeakPolarHBondContact OH-CG1 3.47Å; Y30-F115 HydrophobicContact CE1-CE2 4.01Å; Y30-F115 AromaticContact CE1-CZ 3.76Å; Y30-F115 HydrophobicContact CE1-CZ 3.76Å; Y30-E117 WeakPolarHBondContact CE1-OE2 3.45Å; Y30-E117 PolarHBondContact OH-OE2 2.93Å; Y30-F119 HydrophobicContact CE2-CE2 4.45Å |
| 31 | R | 98.2 | Very high | 97.3 | Very high | 178 Ų | 178 | 53.7 Ų | 53.7 | 67% | 0.672 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.2 | -39.6 | 170.6 | -177 | 179.8 | 179 | -177 | 0.3 | 112.1 | A27 L28 Y29 K35 | A27-R31 VanDerWaalsContact O-CB 3.3Å; A27-R31 WeakPolarHBondContact O-CB 3.41Å; A27-R31 PolarHBondContact O-N 3.26Å; L28-R31 PolarHBondContact O-N 2.8Å; Y29-R31 VanDerWaalsContact C-N 3.29Å; Y29-R31 PolarHBondContact O-N 2.88Å; R31-K35 WeakPolarHBondContact O-CG 3.35Å |
| 32 | A | 98.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.8 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L28 Y29 Y30 K35 D40 L41 F44 | L28-A32 WeakPolarHBondContact O-CB 3.21Å; L28-A32 PolarHBondContact O-N 3.31Å; Y29-A32 CarbonylContact O-C 3.58Å; Y29-A32 WeakPolarHBondContact O-CA 3.47Å; Y29-A32 WeakPolarHBondContact O-CB 3.3Å; Y29-A32 PolarHBondContact O-N 2.93Å; Y30-A32 VanDerWaalsContact C-N 3.31Å; Y30-A32 PolarHBondContact O-N 2.97Å; A32-K35 PolarHBondContact O-N 3.08Å; A32-D40 HydrophobicContact CB-CB 4Å; A32-L41 HydrophobicContact CB-CD2 4.42Å; A32-F44 HydrophobicContact CB-CD2 4.48Å; A32-F44 HydrophobicContact CB-CE2 3.54Å; A32-F44 HydrophobicContact CB-CZ 3.87Å |
| 33 | F | 98.4 | Very high | 97.2 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -35.6 | 179.7 | -167.4 | -88.6 | 0 | 0 | 0 | 112.7 | Y29 Y30 K35 R38 L41 W53 F68 L71 S74 I105 | Y29-F33 WeakPolarHBondContact O-CB 3.42Å; Y29-F33 PolarHBondContact O-N 3.21Å; Y30-F33 PolarHBondContact O-N 3.2Å; F33-K35 VanDerWaalsContact C-N 3.35Å; F33-R38 WeakPolarHBondContact O-CG 3.45Å; F33-R38 PolarHBondContact O-NE 3Å; F33-L41 HydrophobicContact CB-CD2 4.26Å; F33-L41 HydrophobicContact CD2-CD1 3.8Å; F33-L41 HydrophobicContact CD2-CD2 4.11Å; F33-L41 HydrophobicContact CE2-CD1 4.31Å; F33-W53 HydrophobicContact CZ-CH2 4.43Å; F33-F68 AromaticContact CE2-CD1 3.77Å; F33-F68 HydrophobicContact CE2-CD1 3.77Å; F33-F68 HydrophobicContact CE2-CD2 4.41Å; F33-F68 AromaticContact CE2-CE1 3.95Å; F33-F68 HydrophobicContact CE2-CE1 3.95Å; F33-F68 HydrophobicContact CE2-CG 4.02Å; F33-F68 HydrophobicContact CE2-CZ 4.32Å; F33-F68 HydrophobicContact CZ-CD1 4.29Å; F33-L71 HydrophobicContact CZ-CD1 4Å; F33-S74 VanDerWaalsContact CD1-OG 3.29Å; F33-S74 WeakPolarHBondContact CD1-OG 3.4Å; F33-S74 WeakPolarHBondContact CE1-OG 3.17Å; F33-I105 HydrophobicContact CE1-CD1 4.2Å |
| 34 | D | 98.2 | Very high | 97.2 | Very high | 42 Ų | 42 | 54.3 Ų | 54.3 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.9 | 178.5 | -71.7 | -17.8 | 0 | 0 | 0 | 113.7 | Y30 S74 C76 | Y30-D34 WeakPolarHBondContact O-CB 3.35Å; Y30-D34 PolarHBondContact O-N 2.84Å; D34-S74 WeakPolarHBondContact CB-O 3.36Å; D34-S74 VanDerWaalsContact OD1-C 3.27Å; D34-S74 PolarHBondContact OD1-OG 3.47Å; D34-C76 PolarHBondContact OD1-N 2.98Å; D34-C76 PolarHBondContact OD1-SG 3.28Å; D34-C76 PolarHBondContact OD2-N 2.97Å |
| 35 | K | 97.5 | Very high | 97.3 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -72.8 | 139 | 172.6 | -78.3 | 177.1 | -174.6 | -178.5 | 0 | 110.3 | R31 A32 F33 N37 R38 D40 | R31-K35 WeakPolarHBondContact O-CG 3.35Å; A32-K35 PolarHBondContact O-N 3.08Å; F33-K35 VanDerWaalsContact C-N 3.35Å; K35-N37 PolarHBondContact O-N 3.49Å; K35-R38 WeakPolarHBondContact O-CA 3.33Å; K35-R38 WeakPolarHBondContact O-CG 3.38Å; K35-R38 PolarHBondContact O-N 3.24Å; K35-D40 IonicContact NZ-OD2 3.37Å; K35-D40 PolarHBondContact NZ-OD2 2.66Å |
| 36 | P | 94.3 | Very high | 97.3 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 135.8 | 171 | -26.6 | 34.7 | 0 | 0 | 0 | 111.6 | R38 P39 | P36-R38 PolarHBondContact O-N 2.98Å; P36-P39 WeakPolarHBondContact O-CD 3.47Å |
| 37 | N | 91.5 | Very high | 97.2 | Very high | 145 Ų | 145 | 54 Ų | 54 | 78% | 0.775 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -1.4 | -175.1 | -50 | -64.6 | 0 | 0 | 0 | 116 | K35 | K35-N37 PolarHBondContact O-N 3.49Š|
| 38 | R | 96.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 4% | 0.038 | 30% | 0.299 | C | S | . | . | trans | 48.8 | 46.5 | 172.1 | -47.7 | -177.9 | 165 | 96.9 | 4.3 | 115.2 | F33 K35 P36 D40 L41 F68 L71 P72 | F33-R38 WeakPolarHBondContact O-CG 3.45Å; F33-R38 PolarHBondContact O-NE 3Å; K35-R38 WeakPolarHBondContact O-CA 3.33Å; K35-R38 WeakPolarHBondContact O-CG 3.38Å; K35-R38 PolarHBondContact O-N 3.24Å; P36-R38 PolarHBondContact O-N 2.98Å; R38-D40 VanDerWaalsContact C-N 3.27Å; R38-D40 PolarHBondContact O-N 2.86Å; R38-L41 HydrophobicContact CB-CB 4.49Å; R38-L41 HydrophobicContact CB-CD1 3.63Å; R38-L41 HydrophobicContact CB-CG 3.92Å; R38-L41 HydrophobicContact CG-CD1 4.17Å; R38-L41 PolarHBondContact O-N 3.2Å; R38-F68 PolarHBondContact NH1-O 2.87Å; R38-L71 PolarHBondContact NH1-O 2.88Å; R38-P72 PolarHBondContact NH2-O 2.91Å | ||
| 39 | P | 96.4 | Very high | 97.2 | Very high | 85 Ų | 85 | 50.6 Ų | 50.6 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -26.8 | -167.2 | 27.3 | -37 | 0 | 0 | 0 | 114.4 | P36 P42 | P36-P39 WeakPolarHBondContact O-CD 3.47Å; P39-P42 WeakPolarHBondContact O-CD 3.24Å |
| 40 | D | 96.9 | Very high | 97.2 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 40% | 0.401 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -12.9 | -175.5 | -56.7 | -42.3 | 0 | 0 | 0 | 112.8 | A32 K35 R38 G43 F44 | A32-D40 HydrophobicContact CB-CB 4Å; K35-D40 IonicContact NZ-OD2 3.37Å; K35-D40 PolarHBondContact NZ-OD2 2.66Å; R38-D40 VanDerWaalsContact C-N 3.27Å; R38-D40 PolarHBondContact O-N 2.86Å; D40-G43 PolarHBondContact O-N 3.39Å; D40-F44 HydrophobicContact CB-CE2 4.38Å; D40-F44 WeakPolarHBondContact O-CD2 3.17Å; D40-F44 WeakPolarHBondContact O-CE2 3.49Å |
| 41 | L | 97 | Very high | 97.2 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -55.3 | -39.3 | -174.9 | -84.3 | -172.8 | 0 | 0 | 0 | 115 | Y29 A32 F33 R38 G43 F44 F45 I65 F68 | Y29-L41 HydrophobicContact CD2-CD2 4Å; Y29-L41 HydrophobicContact CE2-CD2 3.68Å; A32-L41 HydrophobicContact CB-CD2 4.42Å; F33-L41 HydrophobicContact CB-CD2 4.26Å; F33-L41 HydrophobicContact CD2-CD1 3.8Å; F33-L41 HydrophobicContact CD2-CD2 4.11Å; F33-L41 HydrophobicContact CE2-CD1 4.31Å; R38-L41 HydrophobicContact CB-CB 4.49Å; R38-L41 HydrophobicContact CB-CD1 3.63Å; R38-L41 HydrophobicContact CB-CG 3.92Å; R38-L41 HydrophobicContact CG-CD1 4.17Å; R38-L41 PolarHBondContact O-N 3.2Å; L41-G43 PolarHBondContact O-N 3.07Å; L41-G43 VanDerWaalsContact O-N 3.08Å; L41-F44 HydrophobicContact CD2-CD2 4.49Å; L41-F44 PolarHBondContact O-N 3.49Å; L41-F45 HydrophobicContact CB-CE2 4.43Å; L41-F45 HydrophobicContact CD2-CE2 4.27Å; L41-F45 WeakPolarHBondContact O-CD2 3.19Å; L41-F45 WeakPolarHBondContact O-CE2 3.31Å; L41-I65 HydrophobicContact CB-CD1 3.66Å; L41-F68 HydrophobicContact CD1-CB 3.99Å; L41-F68 HydrophobicContact CD1-CD2 3.88Å; L41-F68 HydrophobicContact CD1-CG 4.21Å |
| 42 | P | 97 | Very high | 97.3 | Very high | 46 Ų | 46 | 45.8 Ų | 45.8 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -51.9 | -35.8 | -179.8 | -27.9 | 34.7 | 0 | 0 | 0 | 113.9 | P39 F44 F45 Q61 I65 | P39-P42 WeakPolarHBondContact O-CD 3.24Å; P42-F44 PolarHBondContact O-N 2.9Å; P42-F45 PolarHBondContact O-N 3.18Å; P42-Q61 PolarHBondContact O-NE2 3.14Å; P42-I65 HydrophobicContact CB-CD1 4.42Å; P42-I65 HydrophobicContact CB-CG1 4.26Å; P42-I65 HydrophobicContact CG-CD1 4.1Å; P42-I65 HydrophobicContact CG-CG1 4.01Å; P42-I65 HydrophobicContact CG-CG2 4.01Å |
| 43 | G | 96.5 | Very high | 97.3 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 47% | 0.474 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -68.2 | -13.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D40 L41 | D40-G43 PolarHBondContact O-N 3.39Å; L41-G43 PolarHBondContact O-N 3.07Å; L41-G43 VanDerWaalsContact O-N 3.08Å |
| 44 | F | 98.1 | Very high | 97.2 | Very high | 31 Ų | 31 | 49 Ų | 49 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -88.6 | -10.5 | -178.4 | -68.7 | -93.2 | 0 | 0 | 0 | 113.6 | F25 L28 Y29 A32 D40 L41 P42 R129 V130 | F25-F44 HydrophobicContact CD2-CD1 4.19Å; F25-F44 HydrophobicContact CE2-CB 4.21Å; F25-F44 AromaticContact CE2-CD1 3.6Å; F25-F44 HydrophobicContact CE2-CD1 3.6Å; F25-F44 HydrophobicContact CE2-CG 4.4Å; F25-F44 HydrophobicContact CZ-CB 4.34Å; F25-F44 AromaticContact CZ-CD1 3.95Å; F25-F44 HydrophobicContact CZ-CD1 3.95Å; L28-F44 HydrophobicContact CB-CE1 3.87Å; L28-F44 HydrophobicContact CB-CZ 4.01Å; Y29-F44 VanDerWaalsContact CA-CE1 3.5Å; Y29-F44 HydrophobicContact CD2-CB 4.22Å; Y29-F44 HydrophobicContact CD2-CD1 4.1Å; Y29-F44 HydrophobicContact CD2-CG 4.08Å; A32-F44 HydrophobicContact CB-CD2 4.48Å; A32-F44 HydrophobicContact CB-CE2 3.54Å; A32-F44 HydrophobicContact CB-CZ 3.87Å; D40-F44 HydrophobicContact CB-CE2 4.38Å; D40-F44 WeakPolarHBondContact O-CD2 3.17Å; D40-F44 WeakPolarHBondContact O-CE2 3.49Å; L41-F44 HydrophobicContact CD2-CD2 4.49Å; L41-F44 PolarHBondContact O-N 3.49Å; P42-F44 PolarHBondContact O-N 2.9Å; F44-R129 CarbonylContact O-C 3.5Å; F44-R129 VanDerWaalsContact O-CA 3.29Å; F44-R129 WeakPolarHBondContact O-CA 3.5Å; F44-V130 PolarHBondContact O-N 2.82Å |
| 45 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.2 | -167.4 | -64.9 | -75.3 | 0 | 0 | 0 | 112.3 | Y29 L41 P42 V49 Q61 V64 I65 F68 V130 V133 | Y29-F45 HydrophobicContact CE2-CE2 4.18Å; Y29-F45 AromaticContact CE2-CZ 3.65Å; Y29-F45 HydrophobicContact CE2-CZ 3.65Å; L41-F45 HydrophobicContact CB-CE2 4.43Å; L41-F45 HydrophobicContact CD2-CE2 4.27Å; L41-F45 WeakPolarHBondContact O-CD2 3.19Å; L41-F45 WeakPolarHBondContact O-CE2 3.31Å; P42-F45 PolarHBondContact O-N 3.18Å; F45-V49 HydrophobicContact CB-CB 4.23Å; F45-V49 HydrophobicContact CB-CG1 3.98Å; F45-V49 HydrophobicContact CD1-CB 4.24Å; F45-V49 HydrophobicContact CD1-CG1 4.27Å; F45-V49 HydrophobicContact CD1-CG2 3.71Å; F45-V49 HydrophobicContact CE1-CG2 4.38Å; F45-V49 HydrophobicContact CG-CG1 4.37Å; F45-Q61 HydrophobicContact CB-CG 4.07Å; F45-Q61 PolarHBondContact O-NE2 2.83Å; F45-V64 HydrophobicContact CE1-CG1 4.44Å; F45-V64 HydrophobicContact CZ-CG1 4.41Å; F45-I65 HydrophobicContact CD2-CD1 3.82Å; F45-I65 HydrophobicContact CE2-CD1 3.97Å; F45-F68 HydrophobicContact CE1-CE2 4.37Å; F45-F68 HydrophobicContact CE2-CD2 4.4Å; F45-F68 HydrophobicContact CE2-CE2 4.01Å; F45-F68 HydrophobicContact CZ-CD2 4.37Å; F45-F68 AromaticContact CZ-CE2 3.57Å; F45-F68 HydrophobicContact CZ-CE2 3.57Å; F45-F68 HydrophobicContact CZ-CZ 4.44Å; F45-V130 HydrophobicContact CD1-CB 3.59Å; F45-V130 HydrophobicContact CD1-CG1 3.92Å; F45-V130 HydrophobicContact CD1-CG2 4.1Å; F45-V130 HydrophobicContact CE1-CB 3.93Å; F45-V130 HydrophobicContact CE1-CG1 3.99Å; F45-V130 HydrophobicContact CE1-CG2 4.06Å; F45-V133 HydrophobicContact CE1-CG1 4.21Å |
| 46 | M | 97.8 | Very high | 97.2 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 151.6 | 166.4 | -60.8 | -66.4 | -68 | 0 | 0 | 110 | N48 V49 T122 E124 R129 V130 Q131 | M46-N48 PolarHBondContact O-N 2.89Å; M46-N48 VanDerWaalsContact O-N 3.16Å; M46-V49 WeakPolarHBondContact O-CB 3.4Å; M46-V49 WeakPolarHBondContact O-CG1 3.25Å; M46-V49 PolarHBondContact O-N 3.42Å; M46-T122 HydrophobicContact CE-CG2 4.32Å; M46-T122 HydrophobicContact CG-CG2 4.36Å; M46-T122 HydrophobicContact SD-CG2 3.97Å; M46-E124 HydrophobicContact CE-CB 3.99Å; M46-E124 HydrophobicContact CE-CG 4.18Å; M46-E124 WeakPolarHBondContact CE-OE1 3.38Å; M46-E124 HydrophobicContact SD-CB 3.63Å; M46-E124 HydrophobicContact SD-CG 4.25Å; M46-R129 HydrophobicContact CG-CB 3.93Å; M46-R129 HydrophobicContact SD-CB 3.57Å; M46-R129 VanDerWaalsContact SD-CB 3.57Å; M46-R129 HydrophobicContact SD-CG 4.33Å; M46-V130 WeakPolarHBondContact CG-O 3.28Å; M46-V130 PolarHBondContact N-O 3.24Å; M46-Q131 HydrophobicContact CG-CB 4.45Å |
| 47 | D | 97.5 | Very high | 97.4 | Very high | 113 Ų | 113 | 53.8 Ų | 53.8 | 60% | 0.604 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.2 | -35.4 | 178.3 | -74.2 | -7.8 | 0 | 0 | 0 | 112.4 | G60 Q61 | D47-G60 WeakPolarHBondContact O-CA 3.4Å; D47-Q61 PolarHBondContact O-N 3.3Å; D47-Q61 PolarHBondContact OD1-NE2 3.03Å |
| 48 | N | 97.3 | Very high | 97.7 | Very high | 98 Ų | 98 | 48.2 Ų | 48.2 | 52% | 0.524 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 28 | 178.5 | 70.3 | -16.1 | 0 | 0 | 0 | 113.8 | M46 Q131 | M46-N48 PolarHBondContact O-N 2.89Å; M46-N48 VanDerWaalsContact O-N 3.16Å; N48-Q131 PolarHBondContact OD1-NE2 2.85Å |
| 49 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 142.5 | 176.8 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | F45 M46 G60 Q61 V64 V130 Q131 V133 | F45-V49 HydrophobicContact CB-CB 4.23Å; F45-V49 HydrophobicContact CB-CG1 3.98Å; F45-V49 HydrophobicContact CD1-CB 4.24Å; F45-V49 HydrophobicContact CD1-CG1 4.27Å; F45-V49 HydrophobicContact CD1-CG2 3.71Å; F45-V49 HydrophobicContact CE1-CG2 4.38Å; F45-V49 HydrophobicContact CG-CG1 4.37Å; M46-V49 WeakPolarHBondContact O-CB 3.4Å; M46-V49 WeakPolarHBondContact O-CG1 3.25Å; M46-V49 PolarHBondContact O-N 3.42Å; V49-G60 PolarHBondContact O-N 2.83Å; V49-Q61 HydrophobicContact CG1-CB 4.27Å; V49-V64 HydrophobicContact CG1-CB 4.16Å; V49-V64 HydrophobicContact CG1-CG2 3.86Å; V49-V130 HydrophobicContact CG2-CG1 4.07Å; V49-Q131 WeakPolarHBondContact CA-O 3.38Å; V49-V133 HydrophobicContact CG2-CG1 4.48Å |
| 50 | V | 98.7 | Very high | 97.9 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.1 | 166.4 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | R57 E59 Q131 S132 V133 | V50-R57 HydrophobicContact CG1-CG 4.2Å; V50-E59 HydrophobicContact CG1-CG 4.39Å; V50-E59 HydrophobicContact CG2-CG 4.23Å; V50-Q131 PolarHBondContact N-O 3Å; V50-S132 CarbonylContact O-C 3.58Å; V50-S132 VanDerWaalsContact O-CA 3.23Å; V50-S132 WeakPolarHBondContact O-CA 3.45Å; V50-V133 PolarHBondContact O-N 2.84Å |
| 51 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132.7 | 169.8 | 168.4 | 65.2 | 0 | 0 | 0 | 109.8 | W53 R57 V58 V64 F67 F68 V133 | L51-W53 HydrophobicContact CD1-CB 4.29Å; L51-W53 HydrophobicContact CD1-CE3 4.32Å; L51-W53 HydrophobicContact CD2-CB 4.27Å; L51-W53 HydrophobicContact CG-CB 4.2Å; L51-R57 CarbonylContact O-C 3.56Å; L51-R57 WeakPolarHBondContact O-CA 3.32Å; L51-V58 HydrophobicContact CB-CB 4.3Å; L51-V58 HydrophobicContact CD2-CB 4.43Å; L51-V58 PolarHBondContact N-O 3.16Å; L51-V58 PolarHBondContact O-N 2.88Å; L51-V64 HydrophobicContact CB-CG1 4.36Å; L51-V64 HydrophobicContact CB-CG2 3.71Å; L51-V64 HydrophobicContact CD2-CG1 4.2Å; L51-V64 HydrophobicContact CD2-CG2 4.45Å; L51-F67 HydrophobicContact CD2-CD1 3.66Å; L51-F67 HydrophobicContact CD2-CE1 3.96Å; L51-F68 HydrophobicContact CD1-CE1 4.47Å; L51-F68 HydrophobicContact CD1-CZ 4.09Å; L51-F68 HydrophobicContact CD2-CE1 3.7Å; L51-F68 HydrophobicContact CD2-CE2 4.43Å; L51-F68 HydrophobicContact CD2-CZ 3.66Å; L51-F68 HydrophobicContact CG-CZ 4.48Å; L51-V133 CarbonylContact C-O 3.53Å; L51-V133 WeakPolarHBondContact CA-O 3.43Å; L51-V133 HydrophobicContact CB-CG1 4.1Å; L51-V133 HydrophobicContact CD1-CG1 3.64Å; L51-V133 HydrophobicContact CD1-CG2 4.48Å; L51-V133 HydrophobicContact CG-CG1 4.48Å |
| 52 | L | 98.7 | Very high | 98 | Very high | 51 Ų | 51 | 56.3 Ų | 56.3 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 100.4 | 165 | -170.3 | 70 | 0 | 0 | 0 | 109 | G55 N56 R57 V133 T134 F135 | L52-G55 VanDerWaalsContact CD1-C 3.47Å; L52-G55 WeakPolarHBondContact CD1-O 3.3Å; L52-N56 CarbonylContact C-O 3.51Å; L52-N56 WeakPolarHBondContact CA-O 3.23Å; L52-R57 HydrophobicContact CD1-CB 4.16Å; L52-V133 PolarHBondContact N-O 3.07Å; L52-T134 HydrophobicContact CB-CG2 4.2Å; L52-T134 HydrophobicContact CD2-CG2 3.96Å; L52-T134 HydrophobicContact CG-CG2 4.39Å; L52-T134 CarbonylContact O-C 3.55Å; L52-T134 WeakPolarHBondContact O-CA 3.35Å; L52-F135 PolarHBondContact O-N 3.46Å |
| 53 | W | 98.5 | Very high | 98.1 | Very high | 21 Ų | 21 | 59 Ų | 59 | 8% | 0.08 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 108.6 | -178.7 | -174.9 | -87.7 | 0 | 0 | 0 | 110.9 | F33 L51 G55 N56 F67 F68 L71 F107 F135 F137 | F33-W53 HydrophobicContact CZ-CH2 4.43Å; L51-W53 HydrophobicContact CD1-CB 4.29Å; L51-W53 HydrophobicContact CD1-CE3 4.32Å; L51-W53 HydrophobicContact CD2-CB 4.27Å; L51-W53 HydrophobicContact CG-CB 4.2Å; W53-G55 PolarHBondContact O-N 2.82Å; W53-G55 VanDerWaalsContact O-N 3.14Å; W53-N56 PolarHBondContact N-O 3.35Å; W53-N56 WeakPolarHBondContact O-CB 3.47Å; W53-N56 PolarHBondContact O-N 2.84Å; W53-N56 PolarHBondContact O-ND2 3.47Å; W53-F67 HydrophobicContact CB-CE1 4.07Å; W53-F67 HydrophobicContact CB-CZ 4.03Å; W53-F67 AromaticContact CD1-CZ 3.59Å; W53-F67 AromaticContact CD2-CE1 3.7Å; W53-F67 HydrophobicContact CD2-CE1 3.7Å; W53-F67 AromaticContact CD2-CZ 3.9Å; W53-F67 HydrophobicContact CD2-CZ 3.9Å; W53-F67 HydrophobicContact CE3-CE1 4.01Å; W53-F67 AromaticContact CG-CE1 3.74Å; W53-F67 HydrophobicContact CG-CE1 3.74Å; W53-F67 AromaticContact CG-CZ 3.57Å; W53-F67 HydrophobicContact CG-CZ 3.57Å; W53-F67 AromaticContact NE1-CZ 3.89Å; W53-F68 AromaticContact CE3-CE1 3.9Å; W53-F68 HydrophobicContact CE3-CE1 3.9Å; W53-F68 AromaticContact CZ3-CE1 3.81Å; W53-F68 HydrophobicContact CZ3-CE1 3.81Å; W53-L71 HydrophobicContact CH2-CD1 3.77Å; W53-L71 HydrophobicContact CZ2-CD1 3.91Å; W53-L71 HydrophobicContact CZ2-CD2 4.46Å; W53-L71 HydrophobicContact CZ3-CD1 4.3Å; W53-F107 HydrophobicContact CH2-CZ 4.22Å; W53-F107 HydrophobicContact CZ2-CZ 4.25Å; W53-F135 HydrophobicContact CD2-CB 4.33Å; W53-F135 AromaticContact CD2-CD1 3.82Å; W53-F135 HydrophobicContact CD2-CD1 3.82Å; W53-F135 HydrophobicContact CD2-CG 4.25Å; W53-F135 AromaticContact CE2-CD1 3.91Å; W53-F135 HydrophobicContact CE3-CB 3.59Å; W53-F135 AromaticContact CE3-CD1 3.63Å; W53-F135 HydrophobicContact CE3-CD1 3.63Å; W53-F135 HydrophobicContact CE3-CD2 4.33Å; W53-F135 HydrophobicContact CE3-CE1 4.43Å; W53-F135 AromaticContact CE3-CG 3.59Å; W53-F135 HydrophobicContact CE3-CG 3.59Å; W53-F135 AromaticContact CH2-CD1 3.64Å; W53-F135 HydrophobicContact CH2-CD1 3.64Å; W53-F135 HydrophobicContact CH2-CD2 4.11Å; W53-F135 AromaticContact CH2-CE1 3.61Å; W53-F135 HydrophobicContact CH2-CE1 3.61Å; W53-F135 HydrophobicContact CH2-CE2 4.07Å; W53-F135 AromaticContact CH2-CG 3.92Å; W53-F135 HydrophobicContact CH2-CG 3.92Å; W53-F135 AromaticContact CH2-CZ 3.83Å; W53-F135 HydrophobicContact CH2-CZ 3.83Å; W53-F135 AromaticContact CZ2-CD1 3.84Å; W53-F135 HydrophobicContact CZ2-CD1 3.84Å; W53-F135 AromaticContact CZ2-CE1 3.73Å; W53-F135 HydrophobicContact CZ2-CE1 3.73Å; W53-F135 HydrophobicContact CZ2-CZ 4.31Å; W53-F135 HydrophobicContact CZ3-CB 3.86Å; W53-F135 AromaticContact CZ3-CD1 3.53Å; W53-F135 HydrophobicContact CZ3-CD1 3.53Å; W53-F135 AromaticContact CZ3-CD2 3.71Å; W53-F135 HydrophobicContact CZ3-CD2 3.71Å; W53-F135 AromaticContact CZ3-CE1 3.99Å; W53-F135 HydrophobicContact CZ3-CE1 3.99Å; W53-F135 HydrophobicContact CZ3-CE2 4.13Å; W53-F135 AromaticContact CZ3-CG 3.4Å; W53-F135 HydrophobicContact CZ3-CG 3.4Å; W53-F135 HydrophobicContact CZ3-CZ 4.26Å; W53-F137 HydrophobicContact CZ2-CZ 4.23Å |
| 54 | N | 97.6 | Very high | 98.2 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 38.6 | -175.9 | -68 | -55 | 0 | 0 | 0 | 112.5 | N56 F135 R136 F137 | N54-N56 VanDerWaalsContact C-N 3.33Å; N54-N56 PolarHBondContact O-N 2.8Å; N54-F135 PolarHBondContact N-O 2.87Å; N54-R136 WeakPolarHBondContact OD1-CA 3.14Å; N54-F137 WeakPolarHBondContact ND2-CD2 3.29Å; N54-F137 VanDerWaalsContact ND2-CE2 3.31Å; N54-F137 WeakPolarHBondContact ND2-CE2 3.41Å; N54-F137 PolarHBondContact OD1-N 3.2Å |
| 55 | G | 96.8 | Very high | 98.2 | Very high | 44 Ų | 44 | 57 Ų | 57 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -7.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L52 W53 | L52-G55 VanDerWaalsContact CD1-C 3.47Å; L52-G55 WeakPolarHBondContact CD1-O 3.3Å; W53-G55 PolarHBondContact O-N 2.82Å; W53-G55 VanDerWaalsContact O-N 3.14Å |
| 56 | N | 98.2 | Very high | 98.2 | Very high | 113 Ų | 113 | 60.3 Ų | 60.3 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 128.8 | 175.2 | -59.5 | -76.1 | 0 | 0 | 0 | 110.5 | L52 W53 N54 | L52-N56 CarbonylContact C-O 3.51Å; L52-N56 WeakPolarHBondContact CA-O 3.23Å; W53-N56 PolarHBondContact N-O 3.35Å; W53-N56 WeakPolarHBondContact O-CB 3.47Å; W53-N56 PolarHBondContact O-N 2.84Å; W53-N56 PolarHBondContact O-ND2 3.47Å; N54-N56 VanDerWaalsContact C-N 3.33Å; N54-N56 PolarHBondContact O-N 2.8Å |
| 57 | R | 98.5 | Very high | 98.2 | Very high | 145 Ų | 145 | 62.1 Ų | 62.1 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.2 | -172.6 | -169 | 169.2 | -173.2 | -91.2 | -3.7 | 111.8 | V50 L51 L52 E59 | V50-R57 HydrophobicContact CG1-CG 4.2Å; L51-R57 CarbonylContact O-C 3.56Å; L51-R57 WeakPolarHBondContact O-CA 3.32Å; L52-R57 HydrophobicContact CD1-CB 4.16Å; R57-E59 IonicContact CZ-OE1 3.04Å; R57-E59 IonicContact CZ-OE2 3.71Å; R57-E59 VanDerWaalsContact NH1-CG 3.32Å; R57-E59 IonicContact NH1-OE1 2.9Å; R57-E59 PolarHBondContact NH1-OE1 3.28Å; R57-E59 IonicContact NH1-OE2 2.78Å; R57-E59 PolarHBondContact NH1-OE2 3.02Å; R57-E59 VanDerWaalsContact NH2-CD 3.29Å; R57-E59 IonicContact NH2-OE1 2.57Å; R57-E59 PolarHBondContact NH2-OE1 2.93Å; R57-E59 IonicContact NH2-OE2 3.94Å |
| 58 | V | 98.7 | Very high | 98.2 | Very high | 28 Ų | 28 | 56.8 Ų | 56.8 | 17% | 0.17 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.7 | 174.6 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | L51 L63 V64 F67 | L51-V58 HydrophobicContact CB-CB 4.3Å; L51-V58 HydrophobicContact CD2-CB 4.43Å; L51-V58 PolarHBondContact N-O 3.16Å; L51-V58 PolarHBondContact O-N 2.88Å; V58-L63 HydrophobicContact CG1-CB 3.85Å; V58-V64 HydrophobicContact CB-CG2 4.29Å; V58-V64 HydrophobicContact CG1-CG2 3.93Å; V58-F67 HydrophobicContact CG2-CG 4.48Å |
| 59 | E | 98.5 | Very high | 98.1 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 142 | -175.2 | -67.9 | -166.9 | 115.6 | 0 | 0 | 113.1 | V50 R57 L63 | V50-E59 HydrophobicContact CG1-CG 4.39Å; V50-E59 HydrophobicContact CG2-CG 4.23Å; R57-E59 IonicContact CZ-OE1 3.04Å; R57-E59 IonicContact CZ-OE2 3.71Å; R57-E59 VanDerWaalsContact NH1-CG 3.32Å; R57-E59 IonicContact NH1-OE1 2.9Å; R57-E59 PolarHBondContact NH1-OE1 3.28Å; R57-E59 IonicContact NH1-OE2 2.78Å; R57-E59 PolarHBondContact NH1-OE2 3.02Å; R57-E59 VanDerWaalsContact NH2-CD 3.29Å; R57-E59 IonicContact NH2-OE1 2.57Å; R57-E59 PolarHBondContact NH2-OE1 2.93Å; R57-E59 IonicContact NH2-OE2 3.94Å; E59-L63 WeakPolarHBondContact O-CB 3.37Å; E59-L63 WeakPolarHBondContact O-CD1 3.4Å |
| 60 | G | 98.4 | Very high | 98 | Very high | 21 Ų | 21 | 62.2 Ų | 62.2 | 22% | 0.216 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 87 | 137.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | D47 V49 K62 L63 V64 | D47-G60 WeakPolarHBondContact O-CA 3.4Å; V49-G60 PolarHBondContact O-N 2.83Å; G60-K62 VanDerWaalsContact C-N 3.32Å; G60-K62 PolarHBondContact O-N 2.89Å; G60-L63 PolarHBondContact O-N 3.05Å; G60-L63 VanDerWaalsContact O-N 3.08Å; G60-V64 PolarHBondContact O-N 2.89Å |
| 61 | Q | 98.2 | Very high | 97.9 | Very high | 44 Ų | 44 | 62.1 Ų | 62.1 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -51.9 | -49.4 | -173.8 | -175.6 | -166.5 | 93.8 | 0 | 0 | 111.8 | P42 F45 D47 V49 L63 V64 I65 | P42-Q61 PolarHBondContact O-NE2 3.14Å; F45-Q61 HydrophobicContact CB-CG 4.07Å; F45-Q61 PolarHBondContact O-NE2 2.83Å; D47-Q61 PolarHBondContact O-N 3.3Å; D47-Q61 PolarHBondContact OD1-NE2 3.03Å; V49-Q61 HydrophobicContact CG1-CB 4.27Å; Q61-L63 VanDerWaalsContact C-N 3.31Å; Q61-L63 PolarHBondContact O-N 2.87Å; Q61-V64 PolarHBondContact O-N 2.87Å; Q61-I65 HydrophobicContact CG-CG1 4.25Å; Q61-I65 VanDerWaalsContact O-CG1 3.27Å; Q61-I65 WeakPolarHBondContact O-CG1 3.4Å; Q61-I65 PolarHBondContact O-N 2.84Å |
| 62 | K | 98.1 | Very high | 97.8 | Very high | 179 Ų | 179 | 64.5 Ų | 64.5 | 78% | 0.778 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.1 | -42.6 | -178.8 | -174.8 | 179 | 177.6 | -178 | 0 | 112.8 | G60 D66 | G60-K62 VanDerWaalsContact C-N 3.32Å; G60-K62 PolarHBondContact O-N 2.89Å; K62-D66 VanDerWaalsContact O-CB 3.31Å; K62-D66 WeakPolarHBondContact O-CB 3.39Å; K62-D66 PolarHBondContact O-N 3.37Å |
| 63 | L | 98.5 | Very high | 97.8 | Very high | 102 Ų | 102 | 65.3 Ų | 65.3 | 53% | 0.534 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74 | -36.7 | -179.6 | -66 | -177.5 | 0 | 0 | 0 | 111.8 | V58 E59 G60 Q61 D66 F67 | V58-L63 HydrophobicContact CG1-CB 3.85Å; E59-L63 WeakPolarHBondContact O-CB 3.37Å; E59-L63 WeakPolarHBondContact O-CD1 3.4Å; G60-L63 PolarHBondContact O-N 3.05Å; G60-L63 VanDerWaalsContact O-N 3.08Å; Q61-L63 VanDerWaalsContact C-N 3.31Å; Q61-L63 PolarHBondContact O-N 2.87Å; L63-D66 PolarHBondContact O-N 2.89Å; L63-F67 WeakPolarHBondContact O-CB 3.41Å; L63-F67 PolarHBondContact O-N 2.87Å |
| 64 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 173.9 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | F45 V49 L51 V58 G60 Q61 F67 F68 | F45-V64 HydrophobicContact CE1-CG1 4.44Å; F45-V64 HydrophobicContact CZ-CG1 4.41Å; V49-V64 HydrophobicContact CG1-CB 4.16Å; V49-V64 HydrophobicContact CG1-CG2 3.86Å; L51-V64 HydrophobicContact CB-CG1 4.36Å; L51-V64 HydrophobicContact CB-CG2 3.71Å; L51-V64 HydrophobicContact CD2-CG1 4.2Å; L51-V64 HydrophobicContact CD2-CG2 4.45Å; V58-V64 HydrophobicContact CB-CG2 4.29Å; V58-V64 HydrophobicContact CG1-CG2 3.93Å; G60-V64 PolarHBondContact O-N 2.89Å; Q61-V64 PolarHBondContact O-N 2.87Å; V64-F67 WeakPolarHBondContact O-CB 3.42Å; V64-F67 PolarHBondContact O-N 2.88Å; V64-F68 HydrophobicContact CG1-CD2 3.77Å; V64-F68 HydrophobicContact CG1-CE2 3.35Å; V64-F68 HydrophobicContact CG1-CZ 4.06Å; V64-F68 WeakPolarHBondContact O-CD2 3.44Å; V64-F68 WeakPolarHBondContact O-CG 3.23Å; V64-F68 PolarHBondContact O-N 2.95Å |
| 65 | I | 98 | Very high | 97.8 | Very high | 35 Ų | 35 | 66.3 Ų | 66.3 | 18% | 0.179 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 177.1 | -63.3 | -55.1 | 0 | 0 | 0 | 111.4 | L41 P42 F45 Q61 F67 F68 S69 | L41-I65 HydrophobicContact CB-CD1 3.66Å; P42-I65 HydrophobicContact CB-CD1 4.42Å; P42-I65 HydrophobicContact CB-CG1 4.26Å; P42-I65 HydrophobicContact CG-CD1 4.1Å; P42-I65 HydrophobicContact CG-CG1 4.01Å; P42-I65 HydrophobicContact CG-CG2 4.01Å; F45-I65 HydrophobicContact CD2-CD1 3.82Å; F45-I65 HydrophobicContact CE2-CD1 3.97Å; Q61-I65 HydrophobicContact CG-CG1 4.25Å; Q61-I65 VanDerWaalsContact O-CG1 3.27Å; Q61-I65 WeakPolarHBondContact O-CG1 3.4Å; Q61-I65 PolarHBondContact O-N 2.84Å; I65-F67 VanDerWaalsContact C-N 3.31Å; I65-F67 PolarHBondContact O-N 3.2Å; I65-F68 PolarHBondContact O-N 2.81Å; I65-S69 WeakPolarHBondContact O-CB 3.39Å; I65-S69 PolarHBondContact O-N 2.84Å |
| 66 | D | 97.7 | Very high | 97.8 | Very high | 70 Ų | 70 | 64.9 Ų | 64.9 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 174.4 | 176.7 | 60 | 0 | 0 | 0 | 111.4 | K62 L63 S69 K70 | K62-D66 VanDerWaalsContact O-CB 3.31Å; K62-D66 WeakPolarHBondContact O-CB 3.39Å; K62-D66 PolarHBondContact O-N 3.37Å; L63-D66 PolarHBondContact O-N 2.89Å; D66-S69 PolarHBondContact O-N 2.89Å; D66-S69 PolarHBondContact O-OG 2.8Å; D66-K70 VanDerWaalsContact CG-NZ 3.3Å; D66-K70 WeakPolarHBondContact O-CG 3.35Å; D66-K70 VanDerWaalsContact OD1-CE 3.29Å; D66-K70 WeakPolarHBondContact OD1-CE 3.1Å; D66-K70 IonicContact OD1-NZ 2.62Å; D66-K70 PolarHBondContact OD1-NZ 3.3Å; D66-K70 WeakPolarHBondContact OD2-CE 3.18Å; D66-K70 IonicContact OD2-NZ 2.65Å; D66-K70 PolarHBondContact OD2-NZ 3.14Å |
| 67 | F | 98.1 | Very high | 97.9 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 24% | 0.241 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -51.8 | 173.4 | 173 | -96.3 | 0 | 0 | 0 | 111.6 | L51 W53 V58 L63 V64 I65 S69 K70 L71 | L51-F67 HydrophobicContact CD2-CD1 3.66Å; L51-F67 HydrophobicContact CD2-CE1 3.96Å; W53-F67 HydrophobicContact CB-CE1 4.07Å; W53-F67 HydrophobicContact CB-CZ 4.03Å; W53-F67 AromaticContact CD1-CZ 3.59Å; W53-F67 AromaticContact CD2-CE1 3.7Å; W53-F67 HydrophobicContact CD2-CE1 3.7Å; W53-F67 AromaticContact CD2-CZ 3.9Å; W53-F67 HydrophobicContact CD2-CZ 3.9Å; W53-F67 HydrophobicContact CE3-CE1 4.01Å; W53-F67 AromaticContact CG-CE1 3.74Å; W53-F67 HydrophobicContact CG-CE1 3.74Å; W53-F67 AromaticContact CG-CZ 3.57Å; W53-F67 HydrophobicContact CG-CZ 3.57Å; W53-F67 AromaticContact NE1-CZ 3.89Å; V58-F67 HydrophobicContact CG2-CG 4.48Å; L63-F67 WeakPolarHBondContact O-CB 3.41Å; L63-F67 PolarHBondContact O-N 2.87Å; V64-F67 WeakPolarHBondContact O-CB 3.42Å; V64-F67 PolarHBondContact O-N 2.88Å; I65-F67 VanDerWaalsContact C-N 3.31Å; I65-F67 PolarHBondContact O-N 3.2Å; F67-S69 VanDerWaalsContact C-N 3.28Å; F67-S69 PolarHBondContact O-N 3.44Å; F67-K70 PolarHBondContact O-N 2.93Å; F67-K70 VanDerWaalsContact O-N 3.16Å; F67-L71 HydrophobicContact CE1-CD1 4.18Å; F67-L71 HydrophobicContact CE1-CD2 4.38Å; F67-L71 HydrophobicContact CE1-CG 4.47Å; F67-L71 HydrophobicContact CZ-CD2 4.19Å |
| 68 | F | 97.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -33.3 | 178.2 | -68 | -36.4 | 0 | 0 | 0 | 112.6 | F33 R38 L41 F45 L51 W53 V64 I65 K70 L71 | F33-F68 AromaticContact CE2-CD1 3.77Å; F33-F68 HydrophobicContact CE2-CD1 3.77Å; F33-F68 HydrophobicContact CE2-CD2 4.41Å; F33-F68 AromaticContact CE2-CE1 3.95Å; F33-F68 HydrophobicContact CE2-CE1 3.95Å; F33-F68 HydrophobicContact CE2-CG 4.02Å; F33-F68 HydrophobicContact CE2-CZ 4.32Å; F33-F68 HydrophobicContact CZ-CD1 4.29Å; R38-F68 PolarHBondContact NH1-O 2.87Å; L41-F68 HydrophobicContact CD1-CB 3.99Å; L41-F68 HydrophobicContact CD1-CD2 3.88Å; L41-F68 HydrophobicContact CD1-CG 4.21Å; F45-F68 HydrophobicContact CE1-CE2 4.37Å; F45-F68 HydrophobicContact CE2-CD2 4.4Å; F45-F68 HydrophobicContact CE2-CE2 4.01Å; F45-F68 HydrophobicContact CZ-CD2 4.37Å; F45-F68 AromaticContact CZ-CE2 3.57Å; F45-F68 HydrophobicContact CZ-CE2 3.57Å; F45-F68 HydrophobicContact CZ-CZ 4.44Å; L51-F68 HydrophobicContact CD1-CE1 4.47Å; L51-F68 HydrophobicContact CD1-CZ 4.09Å; L51-F68 HydrophobicContact CD2-CE1 3.7Å; L51-F68 HydrophobicContact CD2-CE2 4.43Å; L51-F68 HydrophobicContact CD2-CZ 3.66Å; L51-F68 HydrophobicContact CG-CZ 4.48Å; W53-F68 AromaticContact CE3-CE1 3.9Å; W53-F68 HydrophobicContact CE3-CE1 3.9Å; W53-F68 AromaticContact CZ3-CE1 3.81Å; W53-F68 HydrophobicContact CZ3-CE1 3.81Å; V64-F68 HydrophobicContact CG1-CD2 3.77Å; V64-F68 HydrophobicContact CG1-CE2 3.35Å; V64-F68 HydrophobicContact CG1-CZ 4.06Å; V64-F68 WeakPolarHBondContact O-CD2 3.44Å; V64-F68 WeakPolarHBondContact O-CG 3.23Å; V64-F68 PolarHBondContact O-N 2.95Å; I65-F68 PolarHBondContact O-N 2.81Å; F68-K70 PolarHBondContact O-N 3.08Å; F68-K70 VanDerWaalsContact O-N 3.15Å; F68-L71 HydrophobicContact CD1-CD1 3.79Å; F68-L71 HydrophobicContact CE1-CD1 4.49Å; F68-L71 PolarHBondContact O-N 2.98Å; F68-L71 VanDerWaalsContact O-N 3.16Å |
| 69 | S | 95.3 | Very high | 97.8 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 48% | 0.483 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.9 | -21.7 | 178.2 | 77.4 | 0 | 0 | 0 | 0 | 113.9 | I65 D66 F67 | I65-S69 WeakPolarHBondContact O-CB 3.39Å; I65-S69 PolarHBondContact O-N 2.84Å; D66-S69 PolarHBondContact O-N 2.89Å; D66-S69 PolarHBondContact O-OG 2.8Å; F67-S69 VanDerWaalsContact C-N 3.28Å; F67-S69 PolarHBondContact O-N 3.44Å |
| 70 | K | 95.8 | Very high | 97.8 | Very high | 144 Ų | 144 | 61.3 Ų | 61.3 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -9.8 | -179.5 | -64.6 | 167 | -170.3 | 166.2 | 0 | 113.3 | D66 F67 F68 | D66-K70 VanDerWaalsContact CG-NZ 3.3Å; D66-K70 WeakPolarHBondContact O-CG 3.35Å; D66-K70 VanDerWaalsContact OD1-CE 3.29Å; D66-K70 WeakPolarHBondContact OD1-CE 3.1Å; D66-K70 IonicContact OD1-NZ 2.62Å; D66-K70 PolarHBondContact OD1-NZ 3.3Å; D66-K70 WeakPolarHBondContact OD2-CE 3.18Å; D66-K70 IonicContact OD2-NZ 2.65Å; D66-K70 PolarHBondContact OD2-NZ 3.14Å; F67-K70 PolarHBondContact O-N 2.93Å; F67-K70 VanDerWaalsContact O-N 3.16Å; F68-K70 PolarHBondContact O-N 3.08Å; F68-K70 VanDerWaalsContact O-N 3.15Å |
| 71 | L | 96.8 | Very high | 97.8 | Very high | 31 Ų | 31 | 63 Ų | 63 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -73.6 | 144.9 | 175 | -61.1 | 178.8 | 0 | 0 | 0 | 109.6 | F33 R38 W53 F67 F68 F107 | F33-L71 HydrophobicContact CZ-CD1 4Å; R38-L71 PolarHBondContact NH1-O 2.88Å; W53-L71 HydrophobicContact CH2-CD1 3.77Å; W53-L71 HydrophobicContact CZ2-CD1 3.91Å; W53-L71 HydrophobicContact CZ2-CD2 4.46Å; W53-L71 HydrophobicContact CZ3-CD1 4.3Å; F67-L71 HydrophobicContact CE1-CD1 4.18Å; F67-L71 HydrophobicContact CE1-CD2 4.38Å; F67-L71 HydrophobicContact CE1-CG 4.47Å; F67-L71 HydrophobicContact CZ-CD2 4.19Å; F68-L71 HydrophobicContact CD1-CD1 3.79Å; F68-L71 HydrophobicContact CE1-CD1 4.49Å; F68-L71 PolarHBondContact O-N 2.98Å; F68-L71 VanDerWaalsContact O-N 3.16Å; L71-F107 HydrophobicContact CB-CE1 4.16Å; L71-F107 HydrophobicContact CD1-CE1 4.43Å |
| 72 | P | 97.2 | Very high | 97.8 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 33% | 0.331 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 160.8 | 171.3 | -19.8 | 31.1 | 0 | 0 | 0 | 111.3 | R38 F107 E108 | R38-P72 PolarHBondContact NH2-O 2.91Å; P72-F107 HydrophobicContact CB-CB 4.25Å; P72-F107 HydrophobicContact CB-CD1 4.25Å; P72-F107 HydrophobicContact CG-CB 4.46Å; P72-F107 HydrophobicContact CG-CD1 4.48Å; P72-F107 WeakPolarHBondContact O-CD1 3.34Å; P72-E108 HydrophobicContact CB-CB 4.32Å |
| 73 | D | 97.7 | Very high | 97.8 | Very high | 67 Ų | 67 | 55.4 Ų | 55.4 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 144.6 | 172.1 | -75.9 | -11.2 | 0 | 0 | 0 | 110.3 | F107 E108 | D73-F107 CarbonylContact O-C 3.52Å; D73-F107 WeakPolarHBondContact O-CA 3.3Å; D73-E108 PolarHBondContact O-N 3Å |
| 74 | S | 98 | Very high | 97.7 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 160 | -173.4 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | F33 D34 K106 | F33-S74 VanDerWaalsContact CD1-OG 3.29Å; F33-S74 WeakPolarHBondContact CD1-OG 3.4Å; F33-S74 WeakPolarHBondContact CE1-OG 3.17Å; D34-S74 WeakPolarHBondContact CB-O 3.36Å; D34-S74 VanDerWaalsContact OD1-C 3.27Å; D34-S74 PolarHBondContact OD1-OG 3.47Å; S74-K106 CarbonylContact C-O 3.49Å; S74-K106 VanDerWaalsContact CA-O 3.3Å; S74-K106 WeakPolarHBondContact CA-O 3.28Å |
| 75 | T | 98.3 | Very high | 97.6 | Very high | 90 Ų | 90 | 55.6 Ų | 55.6 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 114.8 | 161.6 | -57.2 | 0 | 0 | 0 | 0 | 108.2 | I105 K106 | T75-I105 WeakPolarHBondContact O-CA 3.36Å; T75-K106 PolarHBondContact N-O 3.3Å; T75-K106 PolarHBondContact O-N 3.37Å |
| 76 | C | 98.5 | Very high | 97.4 | Very high | 15 Ų | 15 | 55.2 Ų | 55.2 | 10% | 0.101 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 135.8 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | Y30 D34 T104 | Y30-C76 HydrophobicContact CD1-CB 3.83Å; Y30-C76 HydrophobicContact CG-CB 4.42Å; D34-C76 PolarHBondContact OD1-N 2.98Å; D34-C76 PolarHBondContact OD1-SG 3.28Å; D34-C76 PolarHBondContact OD2-N 2.97Å; C76-T104 CarbonylContact C-O 3.56Å; C76-T104 WeakPolarHBondContact CA-O 3.39Å |
| 77 | T | 98.3 | Very high | 97 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 44% | 0.436 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 114.9 | 169.6 | -59.2 | 0 | 0 | 0 | 0 | 108.7 | G103 T104 | T77-G103 CarbonylContact O-C 3.5Å; T77-G103 WeakPolarHBondContact O-CA 3.29Å; T77-T104 PolarHBondContact N-O 2.9Å; T77-T104 PolarHBondContact O-N 3.39Å |
| 78 | L | 98.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 134.1 | 179.3 | -71.8 | 67.1 | 0 | 0 | 0 | 109.2 | Y30 L81 V101 | Y30-L78 HydrophobicContact CD1-CD1 4.29Å; Y30-L78 HydrophobicContact CD2-CD1 3.62Å; Y30-L78 HydrophobicContact CD2-CD2 3.66Å; Y30-L78 HydrophobicContact CD2-CG 4.03Å; Y30-L78 HydrophobicContact CE2-CD1 4.09Å; Y30-L78 HydrophobicContact CE2-CD2 3.72Å; Y30-L78 HydrophobicContact CE2-CG 4.06Å; Y30-L78 HydrophobicContact CG-CD1 3.74Å; L78-L81 HydrophobicContact CD2-CD1 4.44Å; L78-V101 HydrophobicContact CD2-CG1 3.95Å; L78-V101 HydrophobicContact CG-CG1 3.82Å |
| 79 | H | 98.1 | Very high | 96 | Very high | 104 Ų | 104 | 66.1 Ų | 66.1 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -35.6 | 177.4 | -62.4 | -42.5 | 0 | 0 | 0 | 111.9 | F102 G103 T104 | H79-F102 HydrophobicContact CB-CD1 4.01Å; H79-F102 HydrophobicContact CB-CE1 4.42Å; H79-F102 PolarHBondContact N-O 2.83Å; H79-G103 VanDerWaalsContact CD2-CA 3.47Å; H79-G103 WeakPolarHBondContact CD2-CA 3.11Å; H79-T104 WeakPolarHBondContact NE2-CG2 3.37Å; H79-T104 PolarHBondContact NE2-OG1 3.39Å |
| 80 | S | 98.1 | Very high | 95.6 | Very high | 66 Ų | 66 | 69.7 Ų | 69.7 | 46% | 0.462 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 155.8 | 171.4 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | F102 | S80-F102 PolarHBondContact N-O 2.91Å; S80-F102 PolarHBondContact O-N 2.84Å; S80-F102 WeakPolarHBondContact OG-CB 3.46Å |
| 81 | L | 98.1 | Very high | 95.1 | Very high | 56 Ų | 56 | 63.6 Ų | 63.6 | 29% | 0.293 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 135.7 | 178.8 | 174.6 | 149.4 | 0 | 0 | 0 | 107.9 | E23 S26 L78 C83 V99 N100 V101 | E23-L81 HydrophobicContact CG-CD2 3.77Å; S26-L81 VanDerWaalsContact OG-CD1 3.29Å; S26-L81 WeakPolarHBondContact OG-CD1 3.45Å; L78-L81 HydrophobicContact CD2-CD1 4.44Å; L81-C83 WeakPolarHBondContact CD2-SG 3.25Å; L81-V99 HydrophobicContact CD1-CG1 4.31Å; L81-V99 HydrophobicContact CG-CG1 4.27Å; L81-N100 CarbonylContact C-O 3.57Å; L81-N100 VanDerWaalsContact CA-O 3.31Å; L81-N100 WeakPolarHBondContact CA-O 3.31Å; L81-V101 HydrophobicContact CD1-CG2 4.21Å; L81-V101 HydrophobicContact CG-CG2 4.48Å |
| 82 | S | 98.1 | Very high | 94.6 | Very high | 51 Ų | 51 | 64 Ų | 64 | 36% | 0.357 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 134.9 | 175.6 | -179 | 0 | 0 | 0 | 0 | 109.2 | V99 N100 | S82-V99 CarbonylContact O-C 3.58Å; S82-V99 WeakPolarHBondContact O-CA 3.29Å; S82-N100 PolarHBondContact N-O 2.83Å; S82-N100 PolarHBondContact O-N 2.83Å |
| 83 | C | 98.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 9% | 0.088 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.8 | -178.2 | -54.2 | 0 | 0 | 0 | 0 | 109.8 | A18 G22 L81 V97 L98 | A18-C83 VanDerWaalsContact O-CB 3.24Å; A18-C83 WeakPolarHBondContact O-CB 3.27Å; G22-C83 VanDerWaalsContact CA-SG 3.52Å; L81-C83 WeakPolarHBondContact CD2-SG 3.25Å; C83-V97 HydrophobicContact CB-CG1 4.36Å; C83-L98 CarbonylContact C-O 3.55Å; C83-L98 VanDerWaalsContact CA-O 3.31Å; C83-L98 WeakPolarHBondContact CA-O 3.04Å |
| 84 | Q | 96.5 | Very high | 93.6 | Very high | 81 Ų | 81 | 71.6 Ų | 71.6 | 38% | 0.379 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 139.7 | -176.9 | -49.7 | -170.3 | -14.2 | 0 | 0 | 109.7 | W15 L98 | W15-Q84 HydrophobicContact CH2-CB 4.1Å; W15-Q84 HydrophobicContact CH2-CG 4.25Å; W15-Q84 HydrophobicContact CZ3-CB 3.75Å; W15-Q84 HydrophobicContact CZ3-CG 3.75Å; Q84-L98 PolarHBondContact N-O 2.87Å; Q84-L98 PolarHBondContact O-N 2.83Å |
| 85 | P | 96.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 73.5 Ų | 73.5 | 17% | 0.169 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 137.3 | 170.1 | 29.8 | -32 | 0 | 0 | 0 | 109.4 | L14 W15 A18 | L14-P85 HydrophobicContact CB-CB 4.28Å; L14-P85 HydrophobicContact CB-CG 4.34Å; W15-P85 HydrophobicContact CD2-CG 3.86Å; W15-P85 VanDerWaalsContact CE3-CD 3.43Å; W15-P85 HydrophobicContact CE3-CG 4.24Å; W15-P85 HydrophobicContact CG-CG 4.17Å; W15-P85 HydrophobicContact CZ2-CG 4.36Å; A18-P85 HydrophobicContact CB-CB 4.34Å |
| 86 | V | 94.7 | Very high | 93.2 | Very high | 26 Ų | 26 | 69.9 Ų | 69.9 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 130.2 | 171.9 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | L90 S91 L96 L98 F120 | V86-L90 HydrophobicContact CG1-CB 4Å; V86-L90 HydrophobicContact CG1-CD1 4.44Å; V86-S91 PolarHBondContact O-OG 2.88Å; V86-L96 HydrophobicContact CB-CB 3.73Å; V86-L96 HydrophobicContact CG1-CB 4.47Å; V86-L96 HydrophobicContact CG2-CB 3.84Å; V86-L96 PolarHBondContact N-O 2.92Å; V86-L98 HydrophobicContact CG2-CB 4.08Å; V86-F120 HydrophobicContact CG2-CD1 4.13Å; V86-F120 HydrophobicContact CG2-CE1 4.01Å |
| 87 | H | 89.2 | Confident | 93.1 | Very high | 134 Ų | 134 | 69.2 Ų | 69.2 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 140.5 | -178.2 | -171.8 | -99.8 | 0 | 0 | 0 | 112.4 | S89 L90 S91 | H87-S89 VanDerWaalsContact ND1-CB 3.35Å; H87-S89 WeakPolarHBondContact ND1-CB 3.33Å; H87-S89 PolarHBondContact ND1-N 3.24Å; H87-S89 PolarHBondContact ND1-OG 2.99Å; H87-S89 PolarHBondContact O-N 2.98Å; H87-L90 PolarHBondContact O-N 2.77Å; H87-S91 PolarHBondContact O-N 2.57Å; H87-S91 PolarHBondContact O-OG 3.26Å |
| 88 | K | 86.9 | Confident | 93.1 | Very high | 128 Ų | 128 | 67.6 Ų | 67.6 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.1 | -26.3 | -175.9 | -68.9 | -172.6 | 177.3 | -176.7 | 0 | 114.4 | L90 S91 G92 | K88-L90 PolarHBondContact O-N 2.78Å; K88-S91 WeakPolarHBondContact CA-OG 3.32Å; K88-S91 PolarHBondContact O-N 2.9Å; K88-G92 WeakPolarHBondContact O-CA 3.34Å; K88-G92 PolarHBondContact O-N 3.49Å |
| 89 | S | 87.7 | Confident | 93.1 | Very high | 94 Ų | 94 | 64.4 Ų | 64.4 | 66% | 0.657 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62 | -21.7 | 174.4 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | H87 | H87-S89 VanDerWaalsContact ND1-CB 3.35Å; H87-S89 WeakPolarHBondContact ND1-CB 3.33Å; H87-S89 PolarHBondContact ND1-N 3.24Å; H87-S89 PolarHBondContact ND1-OG 2.99Å; H87-S89 PolarHBondContact O-N 2.98Å |
| 90 | L | 86.4 | Confident | 93.2 | Very high | 144 Ų | 144 | 62.2 Ų | 62.2 | 75% | 0.754 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -106.5 | -30.9 | 178.1 | -61.7 | 175.8 | 0 | 0 | 0 | 112.3 | V86 H87 K88 | V86-L90 HydrophobicContact CG1-CB 4Å; V86-L90 HydrophobicContact CG1-CD1 4.44Å; H87-L90 PolarHBondContact O-N 2.77Å; K88-L90 PolarHBondContact O-N 2.78Å |
| 91 | S | 84.9 | Confident | 93.2 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -98.1 | -12.4 | -174.5 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | V86 H87 K88 R94 | V86-S91 PolarHBondContact O-OG 2.88Å; H87-S91 PolarHBondContact O-N 2.57Å; H87-S91 PolarHBondContact O-OG 3.26Å; K88-S91 WeakPolarHBondContact CA-OG 3.32Å; K88-S91 PolarHBondContact O-N 2.9Å; S91-R94 VanDerWaalsContact CB-O 3.3Å; S91-R94 WeakPolarHBondContact CB-O 3.29Å; S91-R94 PolarHBondContact O-N 2.84Å; S91-R94 PolarHBondContact OG-O 2.94Å |
| 92 | G | 86.8 | Confident | 93.2 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -138.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | K88 R94 | K88-G92 WeakPolarHBondContact O-CA 3.34Å; K88-G92 PolarHBondContact O-N 3.49Å; G92-R94 VanDerWaalsContact C-N 3.25Å; G92-R94 PolarHBondContact O-N 2.86Å |
| 93 | D | 85.8 | Confident | 93.2 | Very high | 168 Ų | 168 | 57.8 Ų | 57.8 | 90% | 0.898 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.6 | 176.7 | -64 | -36.8 | 0 | 0 | 0 | 113.2 | ||
| 94 | R | 88.1 | Confident | 93.3 | Very high | 108 Ų | 108 | 58.5 Ų | 58.5 | 41% | 0.408 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -81 | 128.3 | -178.4 | -174.4 | 171.9 | 67.5 | 167 | 0.5 | 110.5 | S91 G92 L96 T122 | S91-R94 VanDerWaalsContact CB-O 3.3Å; S91-R94 WeakPolarHBondContact CB-O 3.29Å; S91-R94 PolarHBondContact O-N 2.84Å; S91-R94 PolarHBondContact OG-O 2.94Å; G92-R94 VanDerWaalsContact C-N 3.25Å; G92-R94 PolarHBondContact O-N 2.86Å; R94-L96 HydrophobicContact CG-CG 4.5Å; R94-L96 PolarHBondContact O-N 2.93Å; R94-T122 WeakPolarHBondContact CD-OG1 3.24Å; R94-T122 WeakPolarHBondContact CG-OG1 3.32Å |
| 95 | L | 90.6 | Very high | 93.4 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | trans | -69 | 116.4 | 169.5 | -176 | 57.6 | 0 | 0 | 0 | 109.7 | L14 T17 T122 W128 | L14-L95 HydrophobicContact CD2-CD1 3.9Å; T17-L95 HydrophobicContact CG2-CD2 4.03Å; L95-T122 PolarHBondContact O-OG1 3.44Å; L95-W128 HydrophobicContact CD2-CH2 3.55Å; L95-W128 HydrophobicContact CD2-CZ2 4.16Å; L95-W128 HydrophobicContact CG-CH2 3.84Å; L95-W128 HydrophobicContact CG-CZ3 4.46Å | ||
| 96 | L | 96.3 | Very high | 93.4 | Very high | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.2 | 175.6 | -77.1 | -175.3 | 0 | 0 | 0 | 109.1 | V86 R94 L121 | V86-L96 HydrophobicContact CB-CB 3.73Å; V86-L96 HydrophobicContact CG1-CB 4.47Å; V86-L96 HydrophobicContact CG2-CB 3.84Å; V86-L96 PolarHBondContact N-O 2.92Å; R94-L96 HydrophobicContact CG-CG 4.5Å; R94-L96 PolarHBondContact O-N 2.93Å; L96-L121 WeakPolarHBondContact CA-O 3.37Å |
| 97 | V | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.4 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | A18 C83 V99 F120 L121 W128 | A18-V97 HydrophobicContact CB-CG1 3.85Å; A18-V97 HydrophobicContact CB-CG2 4.01Å; C83-V97 HydrophobicContact CB-CG1 4.36Å; V97-V99 HydrophobicContact CG1-CG2 3.9Å; V97-F120 WeakPolarHBondContact O-CA 3.25Å; V97-L121 HydrophobicContact CB-CB 4.27Å; V97-L121 PolarHBondContact N-O 2.87Å; V97-L121 PolarHBondContact O-N 3.37Å; V97-W128 HydrophobicContact CB-CZ3 4.48Å; V97-W128 HydrophobicContact CG2-CH2 3.69Å; V97-W128 HydrophobicContact CG2-CZ3 3.79Å |
| 98 | L | 98.2 | Very high | 93.9 | Very high | 37 Ų | 37 | 57.1 Ų | 57.1 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121.1 | 169.5 | 176.6 | 65.4 | 0 | 0 | 0 | 108.2 | C83 Q84 V86 T118 F120 | C83-L98 CarbonylContact C-O 3.55Å; C83-L98 VanDerWaalsContact CA-O 3.31Å; C83-L98 WeakPolarHBondContact CA-O 3.04Å; Q84-L98 PolarHBondContact N-O 2.87Å; Q84-L98 PolarHBondContact O-N 2.83Å; V86-L98 HydrophobicContact CG2-CB 4.08Å; L98-T118 HydrophobicContact CD1-CG2 3.34Å; L98-F120 HydrophobicContact CB-CE1 4.43Å; L98-F120 HydrophobicContact CD1-CD1 4.3Å; L98-F120 HydrophobicContact CD1-CD2 4.47Å; L98-F120 HydrophobicContact CD1-CE1 3.82Å; L98-F120 HydrophobicContact CD1-CE2 4.01Å; L98-F120 HydrophobicContact CD1-CZ 3.67Å |
| 99 | V | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 122.1 | 174.2 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | L81 S82 V97 V101 T118 F119 L121 | L81-V99 HydrophobicContact CD1-CG1 4.31Å; L81-V99 HydrophobicContact CG-CG1 4.27Å; S82-V99 CarbonylContact O-C 3.58Å; S82-V99 WeakPolarHBondContact O-CA 3.29Å; V97-V99 HydrophobicContact CG1-CG2 3.9Å; V99-V101 HydrophobicContact CG1-CG2 3.95Å; V99-T118 CarbonylContact O-C 3.57Å; V99-T118 VanDerWaalsContact O-CA 3.25Å; V99-T118 WeakPolarHBondContact O-CA 3.48Å; V99-F119 HydrophobicContact CB-CB 4.26Å; V99-F119 HydrophobicContact CB-CD2 4.28Å; V99-F119 HydrophobicContact CG1-CD2 4.35Å; V99-F119 PolarHBondContact N-O 3.48Å; V99-F119 PolarHBondContact O-N 2.9Å; V99-L121 HydrophobicContact CG2-CD1 3.64Å; V99-L121 HydrophobicContact CG2-CG 3.99Å |
| 100 | N | 98.6 | Very high | 94.8 | Very high | 57 Ų | 57 | 59.5 Ų | 59.5 | 31% | 0.305 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.3 | 172.1 | -67.2 | -59 | 0 | 0 | 0 | 109 | L81 S82 T118 | L81-N100 CarbonylContact C-O 3.57Å; L81-N100 VanDerWaalsContact CA-O 3.31Å; L81-N100 WeakPolarHBondContact CA-O 3.31Å; S82-N100 PolarHBondContact N-O 2.83Å; S82-N100 PolarHBondContact O-N 2.83Å; N100-T118 WeakPolarHBondContact OD1-CG2 3.35Å; N100-T118 PolarHBondContact OD1-OG1 3.4Å |
| 101 | V | 98.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.1 | 179.2 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | Y30 L78 L81 V99 S116 E117 F119 | Y30-V101 HydrophobicContact CE2-CB 4.48Å; Y30-V101 HydrophobicContact CE2-CG1 3.96Å; Y30-V101 HydrophobicContact CE2-CG2 4.15Å; Y30-V101 WeakPolarHBondContact OH-CB 3.4Å; Y30-V101 VanDerWaalsContact OH-CG1 3.29Å; Y30-V101 WeakPolarHBondContact OH-CG1 3.47Å; L78-V101 HydrophobicContact CD2-CG1 3.95Å; L78-V101 HydrophobicContact CG-CG1 3.82Å; L81-V101 HydrophobicContact CD1-CG2 4.21Å; L81-V101 HydrophobicContact CG-CG2 4.48Å; V99-V101 HydrophobicContact CG1-CG2 3.95Å; V101-S116 VanDerWaalsContact O-CA 3.32Å; V101-S116 WeakPolarHBondContact O-CA 3.35Å; V101-E117 PolarHBondContact N-O 3.42Å; V101-E117 PolarHBondContact O-N 3.3Å; V101-F119 HydrophobicContact CG2-CD2 4.41Å; V101-F119 HydrophobicContact CG2-CE2 4.05Å |
| 102 | F | 98.5 | Very high | 95.9 | Very high | 78 Ų | 78 | 60 Ų | 60 | 34% | 0.342 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.5 | 170 | 176.3 | -95.8 | 0 | 0 | 0 | 108.5 | H79 S80 I114 I138 | H79-F102 HydrophobicContact CB-CD1 4.01Å; H79-F102 HydrophobicContact CB-CE1 4.42Å; H79-F102 PolarHBondContact N-O 2.83Å; S80-F102 PolarHBondContact N-O 2.91Å; S80-F102 PolarHBondContact O-N 2.84Å; S80-F102 WeakPolarHBondContact OG-CB 3.46Å; F102-I114 HydrophobicContact CD2-CG2 4.2Å; F102-I114 HydrophobicContact CE1-CG2 4.41Å; F102-I114 HydrophobicContact CE2-CG2 3.31Å; F102-I114 HydrophobicContact CZ-CG2 3.43Å; F102-I114 VanDerWaalsContact CZ-CG2 3.43Å; F102-I138 HydrophobicContact CD2-CD1 3.94Å; F102-I138 HydrophobicContact CE2-CD1 3.7Å |
| 103 | G | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | -172.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T77 H79 I114 F115 | T77-G103 CarbonylContact O-C 3.5Å; T77-G103 WeakPolarHBondContact O-CA 3.29Å; H79-G103 VanDerWaalsContact CD2-CA 3.47Å; H79-G103 WeakPolarHBondContact CD2-CA 3.11Å; G103-I114 WeakPolarHBondContact O-CA 3.02Å; G103-F115 PolarHBondContact N-O 3.2Å; G103-F115 VanDerWaalsContact N-O 3.08Å; G103-F115 PolarHBondContact O-N 3.03Å |
| 104 | T | 98.6 | Very high | 97 | Very high | 29 Ų | 29 | 56.7 Ų | 56.7 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.8 | 167.6 | 44.3 | 0 | 0 | 0 | 0 | 110.2 | C76 T77 H79 T112 H113 I114 | C76-T104 CarbonylContact C-O 3.56Å; C76-T104 WeakPolarHBondContact CA-O 3.39Å; T77-T104 PolarHBondContact N-O 2.9Å; T77-T104 PolarHBondContact O-N 3.39Å; H79-T104 WeakPolarHBondContact NE2-CG2 3.37Å; H79-T104 PolarHBondContact NE2-OG1 3.39Å; T104-T112 HydrophobicContact CG2-CG2 4.05Å; T104-H113 CarbonylContact C-O 3.58Å; T104-H113 WeakPolarHBondContact CA-O 3.48Å; T104-I114 HydrophobicContact CG2-CG1 3.93Å |
| 105 | I | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.2 | 176.8 | -174.8 | 168.3 | 0 | 0 | 0 | 108.7 | F33 T75 F107 H113 F115 F135 F137 | F33-I105 HydrophobicContact CE1-CD1 4.2Å; T75-I105 WeakPolarHBondContact O-CA 3.36Å; I105-F107 HydrophobicContact CD1-CD2 4.39Å; I105-F107 HydrophobicContact CD1-CE1 4.07Å; I105-F107 HydrophobicContact CD1-CE2 3.51Å; I105-F107 HydrophobicContact CD1-CZ 3.33Å; I105-F107 HydrophobicContact CG1-CD2 4.28Å; I105-F107 HydrophobicContact CG1-CE2 3.83Å; I105-F107 HydrophobicContact CG1-CZ 4.07Å; I105-F107 HydrophobicContact CG2-CE2 4.23Å; I105-H113 HydrophobicContact CG2-CB 4.35Å; I105-H113 PolarHBondContact N-O 3.42Å; I105-H113 PolarHBondContact O-N 3.19Å; I105-F115 HydrophobicContact CB-CD1 3.8Å; I105-F115 HydrophobicContact CB-CE1 4.07Å; I105-F115 HydrophobicContact CG2-CB 4.28Å; I105-F115 HydrophobicContact CG2-CD1 3.77Å; I105-F115 HydrophobicContact CG2-CG 4.29Å; I105-F135 HydrophobicContact CD1-CZ 4.39Å; I105-F135 HydrophobicContact CG2-CZ 4.24Å; I105-F137 HydrophobicContact CG2-CD1 4.19Å; I105-F137 HydrophobicContact CG2-CE1 3.63Å |
| 106 | K | 98.2 | Very high | 97.9 | Very high | 115 Ų | 115 | 51.3 Ų | 51.3 | 50% | 0.5 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 114.3 | 174.5 | -177.1 | 179.2 | 179.2 | -178.6 | 0 | 108.6 | S74 T75 | S74-K106 CarbonylContact C-O 3.49Å; S74-K106 VanDerWaalsContact CA-O 3.3Å; S74-K106 WeakPolarHBondContact CA-O 3.28Å; T75-K106 PolarHBondContact N-O 3.3Å; T75-K106 PolarHBondContact O-N 3.37Å |
| 107 | F | 97.7 | Very high | 98 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 7% | 0.066 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 150.1 | 169.4 | -70.6 | -77.7 | 0 | 0 | 0 | 110.2 | W53 L71 P72 D73 I105 Q109 H110 F137 | W53-F107 HydrophobicContact CH2-CZ 4.22Å; W53-F107 HydrophobicContact CZ2-CZ 4.25Å; L71-F107 HydrophobicContact CB-CE1 4.16Å; L71-F107 HydrophobicContact CD1-CE1 4.43Å; P72-F107 HydrophobicContact CB-CB 4.25Å; P72-F107 HydrophobicContact CB-CD1 4.25Å; P72-F107 HydrophobicContact CG-CB 4.46Å; P72-F107 HydrophobicContact CG-CD1 4.48Å; P72-F107 WeakPolarHBondContact O-CD1 3.34Å; D73-F107 CarbonylContact O-C 3.52Å; D73-F107 WeakPolarHBondContact O-CA 3.3Å; I105-F107 HydrophobicContact CD1-CD2 4.39Å; I105-F107 HydrophobicContact CD1-CE1 4.07Å; I105-F107 HydrophobicContact CD1-CE2 3.51Å; I105-F107 HydrophobicContact CD1-CZ 3.33Å; I105-F107 HydrophobicContact CG1-CD2 4.28Å; I105-F107 HydrophobicContact CG1-CE2 3.83Å; I105-F107 HydrophobicContact CG1-CZ 4.07Å; I105-F107 HydrophobicContact CG2-CE2 4.23Å; F107-Q109 PolarHBondContact O-N 2.76Å; F107-H110 HydrophobicContact CB-CB 4.01Å; F107-H110 PolarHBondContact O-N 2.91Å; F107-H110 VanDerWaalsContact O-N 3.09Å; F107-F137 HydrophobicContact CD2-CZ 4.39Å; F107-F137 AromaticContact CE2-CE1 3.98Å; F107-F137 HydrophobicContact CE2-CE1 3.98Å; F107-F137 AromaticContact CE2-CZ 3.7Å; F107-F137 HydrophobicContact CE2-CZ 3.7Å |
| 108 | E | 96.8 | Very high | 98 | Very high | 107 Ų | 107 | 52.2 Ų | 52.2 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 132.3 | 175.6 | -156.5 | -157.1 | 150.3 | 0 | 0 | 110.3 | P72 D73 H110 | P72-E108 HydrophobicContact CB-CB 4.32Å; D73-E108 PolarHBondContact O-N 3Å; E108-H110 PolarHBondContact O-N 3.29Å; E108-H110 VanDerWaalsContact O-N 3.12Å; E108-H110 PolarHBondContact O-ND1 2.84Å |
| 109 | Q | 95.5 | Very high | 98.1 | Very high | 174 Ų | 174 | 50.5 Ų | 50.5 | 81% | 0.813 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 12.9 | -179.6 | -55.3 | 168.1 | 33.4 | 0 | 0 | 115.6 | F107 | F107-Q109 PolarHBondContact O-N 2.76Š|
| 110 | H | 96.1 | Very high | 98 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 45% | 0.454 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -120 | 156.8 | 176.9 | -65.6 | 78.1 | 0 | 0 | 0 | 111.1 | F107 E108 | F107-H110 HydrophobicContact CB-CB 4.01Å; F107-H110 PolarHBondContact O-N 2.91Å; F107-H110 VanDerWaalsContact O-N 3.09Å; E108-H110 PolarHBondContact O-N 3.29Å; E108-H110 VanDerWaalsContact O-N 3.12Å; E108-H110 PolarHBondContact O-ND1 2.84Å |
| 111 | P | 96.6 | Very high | 98 | Very high | 87 Ų | 87 | 51.1 Ų | 51.1 | 57% | 0.565 | 26% | 0.258 | S | S | * | . | trans | -64.5 | 159.8 | 171.7 | 27.2 | -32.8 | 0 | 0 | 0 | 111.3 | H113 | P111-H113 PolarHBondContact O-CD2 3.37Š| ||
| 112 | T | 98 | Very high | 97.9 | Very high | 83 Ų | 83 | 51.1 Ų | 51.1 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 133.9 | 171.4 | -57.7 | 0 | 0 | 0 | 0 | 109.6 | T104 | T104-T112 HydrophobicContact CG2-CG2 4.05Å |
| 113 | H | 98.2 | Very high | 97.7 | Very high | 68 Ų | 68 | 51.9 Ų | 51.9 | 32% | 0.315 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 146 | 174 | -67.4 | -82.1 | 0 | 0 | 0 | 110.5 | T104 I105 P111 F137 | T104-H113 CarbonylContact C-O 3.58Å; T104-H113 WeakPolarHBondContact CA-O 3.48Å; I105-H113 HydrophobicContact CG2-CB 4.35Å; I105-H113 PolarHBondContact N-O 3.42Å; I105-H113 PolarHBondContact O-N 3.19Å; P111-H113 PolarHBondContact O-CD2 3.37Å; H113-F137 HydrophobicContact CB-CD1 3.66Å; H113-F137 HydrophobicContact CB-CE1 4.06Å; H113-F137 HydrophobicContact CB-CG 4.35Å |
| 114 | I | 98.6 | Very high | 97.5 | Very high | 71 Ų | 71 | 54.5 Ų | 54.5 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 144.2 | 162.7 | -62.1 | 172.4 | 0 | 0 | 0 | 107.3 | F102 G103 T104 F137 I138 | F102-I114 HydrophobicContact CD2-CG2 4.2Å; F102-I114 HydrophobicContact CE1-CG2 4.41Å; F102-I114 HydrophobicContact CE2-CG2 3.31Å; F102-I114 HydrophobicContact CZ-CG2 3.43Å; F102-I114 VanDerWaalsContact CZ-CG2 3.43Å; G103-I114 WeakPolarHBondContact O-CA 3.02Å; T104-I114 HydrophobicContact CG2-CG1 3.93Å; I114-F137 WeakPolarHBondContact O-CA 3.35Å; I114-I138 HydrophobicContact CB-CB 4.25Å; I114-I138 HydrophobicContact CG2-CB 3.96Å; I114-I138 HydrophobicContact CG2-CD1 4.13Å; I114-I138 HydrophobicContact CG2-CG1 4.48Å; I114-I138 PolarHBondContact O-N 3.15Å |
| 115 | F | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 157.6 | 173.8 | 79.3 | -85 | 0 | 0 | 0 | 111.9 | Y30 G103 I105 E117 F135 R136 F137 | Y30-F115 HydrophobicContact CE1-CE2 4.01Å; Y30-F115 AromaticContact CE1-CZ 3.76Å; Y30-F115 HydrophobicContact CE1-CZ 3.76Å; G103-F115 PolarHBondContact N-O 3.2Å; G103-F115 VanDerWaalsContact N-O 3.08Å; G103-F115 PolarHBondContact O-N 3.03Å; I105-F115 HydrophobicContact CB-CD1 3.8Å; I105-F115 HydrophobicContact CB-CE1 4.07Å; I105-F115 HydrophobicContact CG2-CB 4.28Å; I105-F115 HydrophobicContact CG2-CD1 3.77Å; I105-F115 HydrophobicContact CG2-CG 4.29Å; F115-E117 HydrophobicContact CD2-CB 3.97Å; F115-E117 HydrophobicContact CE2-CB 3.8Å; F115-F135 HydrophobicContact CB-CE1 4.25Å; F115-F135 HydrophobicContact CB-CE2 3.9Å; F115-F135 HydrophobicContact CB-CZ 3.56Å; F115-F135 HydrophobicContact CD1-CE2 4.49Å; F115-F135 AromaticContact CD2-CD2 3.91Å; F115-F135 HydrophobicContact CD2-CD2 3.91Å; F115-F135 AromaticContact CD2-CE2 3.3Å; F115-F135 HydrophobicContact CD2-CE2 3.3Å; F115-F135 AromaticContact CD2-CZ 3.91Å; F115-F135 HydrophobicContact CD2-CZ 3.91Å; F115-F135 HydrophobicContact CE2-CD2 4.43Å; F115-F135 AromaticContact CE2-CE2 3.89Å; F115-F135 HydrophobicContact CE2-CE2 3.89Å; F115-F135 AromaticContact CG-CE2 3.66Å; F115-F135 HydrophobicContact CG-CE2 3.66Å; F115-F135 AromaticContact CG-CZ 3.79Å; F115-F135 HydrophobicContact CG-CZ 3.79Å; F115-R136 CarbonylContact C-O 3.6Å; F115-R136 VanDerWaalsContact CA-O 3.27Å; F115-R136 WeakPolarHBondContact CA-O 3.13Å; F115-F137 HydrophobicContact CB-CD1 4.29Å |
| 116 | S | 98.5 | Very high | 96.6 | Very high | 41 Ų | 41 | 65.3 Ų | 65.3 | 29% | 0.287 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.8 | 163 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | V101 R136 | V101-S116 VanDerWaalsContact O-CA 3.32Å; V101-S116 WeakPolarHBondContact O-CA 3.35Å; S116-R136 PolarHBondContact N-O 3.36Å; S116-R136 PolarHBondContact O-N 3.09Å |
| 117 | E | 98.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.019 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 129.3 | 176.1 | -167.2 | 169.8 | -165.5 | 0 | 0 | 110.3 | Y29 Y30 V101 F115 F119 V133 T134 F135 | Y29-E117 PolarHBondContact OH-OE1 3.49Å; Y30-E117 WeakPolarHBondContact CE1-OE2 3.45Å; Y30-E117 PolarHBondContact OH-OE2 2.93Å; V101-E117 PolarHBondContact N-O 3.42Å; V101-E117 PolarHBondContact O-N 3.3Å; F115-E117 HydrophobicContact CD2-CB 3.97Å; F115-E117 HydrophobicContact CE2-CB 3.8Å; E117-F119 HydrophobicContact CB-CE2 4.26Å; E117-F119 HydrophobicContact CB-CZ 4.43Å; E117-F119 HydrophobicContact CG-CD2 4.44Å; E117-F119 HydrophobicContact CG-CE1 4.08Å; E117-F119 HydrophobicContact CG-CE2 3.74Å; E117-F119 HydrophobicContact CG-CZ 3.54Å; E117-F119 WeakPolarHBondContact OE1-CE1 3.25Å; E117-F119 VanDerWaalsContact OE1-CZ 3.28Å; E117-F119 WeakPolarHBondContact OE1-CZ 3.21Å; E117-F119 WeakPolarHBondContact OE2-CZ 3.36Å; E117-V133 HydrophobicContact CG-CG2 3.7Å; E117-V133 WeakPolarHBondContact OE1-CG2 3.19Å; E117-T134 CarbonylContact C-O 3.55Å; E117-T134 VanDerWaalsContact CA-O 3.29Å; E117-T134 WeakPolarHBondContact CA-O 3.44Å; E117-F135 HydrophobicContact CB-CD2 4.01Å; E117-F135 HydrophobicContact CG-CB 4.19Å; E117-F135 HydrophobicContact CG-CD2 3.98Å |
| 118 | T | 98.7 | Very high | 96.5 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.1 | 178.5 | -61.8 | 0 | 0 | 0 | 0 | 109.4 | L98 V99 N100 F120 V133 T134 | L98-T118 HydrophobicContact CD1-CG2 3.34Å; V99-T118 CarbonylContact O-C 3.57Å; V99-T118 VanDerWaalsContact O-CA 3.25Å; V99-T118 WeakPolarHBondContact O-CA 3.48Å; N100-T118 WeakPolarHBondContact OD1-CG2 3.35Å; N100-T118 PolarHBondContact OD1-OG1 3.4Å; T118-F120 HydrophobicContact CG2-CE2 4.45Å; T118-V133 CarbonylContact O-C 3.56Å; T118-V133 VanDerWaalsContact O-CA 3.25Å; T118-V133 WeakPolarHBondContact O-CA 3.33Å; T118-T134 PolarHBondContact N-O 3.01Å; T118-T134 PolarHBondContact O-N 2.9Å |
| 119 | F | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 143.2 | 173.7 | -52.3 | -90.2 | 0 | 0 | 0 | 110.9 | F25 Y29 Y30 V99 V101 E117 L121 V130 V133 | F25-F119 HydrophobicContact CE1-CD1 4.13Å; F25-F119 HydrophobicContact CE1-CE1 4.26Å; F25-F119 HydrophobicContact CE1-CG 4.25Å; Y29-F119 HydrophobicContact CD1-CE1 4.22Å; Y29-F119 AromaticContact CD1-CZ 3.75Å; Y29-F119 HydrophobicContact CD1-CZ 3.75Å; Y29-F119 AromaticContact CE1-CE1 3.78Å; Y29-F119 HydrophobicContact CE1-CE1 3.78Å; Y29-F119 AromaticContact CE1-CZ 3.42Å; Y29-F119 HydrophobicContact CE1-CZ 3.42Å; Y29-F119 VanDerWaalsContact CE1-CZ 3.42Å; Y29-F119 HydrophobicContact CE2-CE1 4.33Å; Y29-F119 AromaticContact CZ-CE1 3.81Å; Y29-F119 AromaticContact CZ-CZ 3.96Å; Y30-F119 HydrophobicContact CE2-CE2 4.45Å; V99-F119 HydrophobicContact CB-CB 4.26Å; V99-F119 HydrophobicContact CB-CD2 4.28Å; V99-F119 HydrophobicContact CG1-CD2 4.35Å; V99-F119 PolarHBondContact N-O 3.48Å; V99-F119 PolarHBondContact O-N 2.9Å; V101-F119 HydrophobicContact CG2-CD2 4.41Å; V101-F119 HydrophobicContact CG2-CE2 4.05Å; E117-F119 HydrophobicContact CB-CE2 4.26Å; E117-F119 HydrophobicContact CB-CZ 4.43Å; E117-F119 HydrophobicContact CG-CD2 4.44Å; E117-F119 HydrophobicContact CG-CE1 4.08Å; E117-F119 HydrophobicContact CG-CE2 3.74Å; E117-F119 HydrophobicContact CG-CZ 3.54Å; E117-F119 WeakPolarHBondContact OE1-CE1 3.25Å; E117-F119 VanDerWaalsContact OE1-CZ 3.28Å; E117-F119 WeakPolarHBondContact OE1-CZ 3.21Å; E117-F119 WeakPolarHBondContact OE2-CZ 3.36Å; F119-L121 HydrophobicContact CB-CD2 3.87Å; F119-L121 HydrophobicContact CB-CG 4.33Å; F119-V130 HydrophobicContact CD1-CG1 4.17Å; F119-V130 HydrophobicContact CD1-CG2 3.77Å; F119-V130 HydrophobicContact CE1-CG2 4.44Å; F119-V133 HydrophobicContact CD1-CB 3.85Å; F119-V133 HydrophobicContact CD1-CG2 3.59Å; F119-V133 HydrophobicContact CE1-CB 4.21Å; F119-V133 HydrophobicContact CE1-CG2 3.54Å; F119-V133 HydrophobicContact CG-CG2 4.4Å; F119-V133 HydrophobicContact CZ-CG2 4.33Å |
| 120 | F | 98.1 | Very high | 96.7 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 31% | 0.311 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 106 | 158.4 | -74.1 | -88.2 | 0 | 0 | 0 | 108.9 | V86 V97 L98 T118 Q131 S132 | V86-F120 HydrophobicContact CG2-CD1 4.13Å; V86-F120 HydrophobicContact CG2-CE1 4.01Å; V97-F120 WeakPolarHBondContact O-CA 3.25Å; L98-F120 HydrophobicContact CB-CE1 4.43Å; L98-F120 HydrophobicContact CD1-CD1 4.3Å; L98-F120 HydrophobicContact CD1-CD2 4.47Å; L98-F120 HydrophobicContact CD1-CE1 3.82Å; L98-F120 HydrophobicContact CD1-CE2 4.01Å; L98-F120 HydrophobicContact CD1-CZ 3.67Å; T118-F120 HydrophobicContact CG2-CE2 4.45Å; F120-Q131 PolarHBondContact O-N 2.96Å; F120-S132 VanDerWaalsContact CD2-OG 3.25Å; F120-S132 WeakPolarHBondContact CD2-OG 3.36Å; F120-S132 PolarHBondContact N-O 2.92Å |
| 121 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 144.3 | 177.4 | -51.3 | -177.6 | 0 | 0 | 0 | 110.6 | F25 L96 V97 V99 F119 W128 R129 V130 | F25-L121 HydrophobicContact CB-CD1 3.71Å; F25-L121 HydrophobicContact CD1-CD1 3.78Å; F25-L121 HydrophobicContact CD1-CD2 3.82Å; F25-L121 HydrophobicContact CD1-CG 4.42Å; F25-L121 HydrophobicContact CD2-CD1 4.02Å; F25-L121 HydrophobicContact CD2-CD2 3.88Å; F25-L121 HydrophobicContact CE1-CD2 3.72Å; F25-L121 HydrophobicContact CE2-CD2 3.72Å; F25-L121 HydrophobicContact CG-CD1 3.53Å; F25-L121 HydrophobicContact CG-CD2 3.95Å; F25-L121 HydrophobicContact CG-CG 4.41Å; F25-L121 HydrophobicContact CZ-CD2 3.7Å; L96-L121 WeakPolarHBondContact CA-O 3.37Å; V97-L121 HydrophobicContact CB-CB 4.27Å; V97-L121 PolarHBondContact N-O 2.87Å; V97-L121 PolarHBondContact O-N 3.37Å; V99-L121 HydrophobicContact CG2-CD1 3.64Å; V99-L121 HydrophobicContact CG2-CG 3.99Å; F119-L121 HydrophobicContact CB-CD2 3.87Å; F119-L121 HydrophobicContact CB-CG 4.33Å; L121-W128 HydrophobicContact CB-CE3 3.94Å; L121-W128 HydrophobicContact CB-CZ3 4.43Å; L121-R129 CarbonylContact C-O 3.56Å; L121-R129 WeakPolarHBondContact CA-O 3.37Å; L121-V130 HydrophobicContact CD2-CB 4.49Å; L121-V130 HydrophobicContact CD2-CG2 3.69Å |
| 122 | T | 96.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 168.1 | 169.2 | -157.6 | 0 | 0 | 0 | 0 | 110.4 | M46 R94 L95 W128 R129 Q131 | M46-T122 HydrophobicContact CE-CG2 4.32Å; M46-T122 HydrophobicContact CG-CG2 4.36Å; M46-T122 HydrophobicContact SD-CG2 3.97Å; R94-T122 WeakPolarHBondContact CD-OG1 3.24Å; R94-T122 WeakPolarHBondContact CG-OG1 3.32Å; L95-T122 PolarHBondContact O-OG1 3.44Å; T122-W128 WeakPolarHBondContact O-CA 3.31Å; T122-R129 PolarHBondContact N-O 3.18Å; T122-R129 PolarHBondContact O-N 2.81Å; T122-Q131 HydrophobicContact CG2-CB 4.46Å |
| 123 | Q | 94.8 | Very high | 96.9 | Very high | 94 Ų | 94 | 45.7 Ų | 45.7 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 129.9 | 177.3 | -65.8 | -172.9 | -62.1 | 0 | 0 | 111.1 | L127 W128 | Q123-L127 WeakPolarHBondContact CA-O 3.4Å; Q123-W128 HydrophobicContact CG-CD2 3.91Å; Q123-W128 HydrophobicContact CG-CE3 3.76Å; Q123-W128 HydrophobicContact CG-CH2 3.84Å; Q123-W128 HydrophobicContact CG-CZ2 3.94Å; Q123-W128 HydrophobicContact CG-CZ3 3.74Å |
| 124 | E | 92.8 | Very high | 96.9 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 121.4 | 167.5 | -177.5 | 175.8 | -111.1 | 0 | 0 | 108 | M46 N126 L127 R129 | M46-E124 HydrophobicContact CE-CB 3.99Å; M46-E124 HydrophobicContact CE-CG 4.18Å; M46-E124 WeakPolarHBondContact CE-OE1 3.38Å; M46-E124 HydrophobicContact SD-CB 3.63Å; M46-E124 HydrophobicContact SD-CG 4.25Å; E124-N126 PolarHBondContact O-N 3.21Å; E124-L127 PolarHBondContact N-O 3.2Å; E124-L127 PolarHBondContact O-N 3.32Å; E124-R129 WeakPolarHBondContact OE2-CD 3.37Å; E124-R129 IonicContact OE2-CZ 3.24Å; E124-R129 VanDerWaalsContact OE2-CZ 3.22Å; E124-R129 IonicContact OE2-NE 3.22Å; E124-R129 PolarHBondContact OE2-NE 3.07Å; E124-R129 IonicContact OE2-NH1 3.36Å; E124-R129 PolarHBondContact OE2-NH1 2.9Å |
| 125 | S | 90.3 | Very high | 96.9 | Very high | 109 Ų | 109 | 42 Ų | 42 | 76% | 0.762 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 43 | -176.7 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | L127 | S125-L127 PolarHBondContact O-N 3.45Š|
| 126 | N | 89.9 | Confident | 96.9 | Very high | 147 Ų | 147 | 48.7 Ų | 48.7 | 79% | 0.786 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 11.2 | -177.4 | -54.2 | -45.5 | 0 | 0 | 0 | 115.8 | E124 | E124-N126 PolarHBondContact O-N 3.21Š|
| 127 | L | 95.4 | Very high | 96.9 | Very high | 99 Ų | 99 | 49.2 Ų | 49.2 | 52% | 0.518 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 139.8 | 174.3 | -61.9 | 175.4 | 0 | 0 | 0 | 110.5 | Q123 E124 S125 R129 | Q123-L127 WeakPolarHBondContact CA-O 3.4Å; E124-L127 PolarHBondContact N-O 3.2Å; E124-L127 PolarHBondContact O-N 3.32Å; S125-L127 PolarHBondContact O-N 3.45Å; L127-R129 PolarHBondContact O-N 2.92Å |
| 128 | W | 97.9 | Very high | 96.7 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 21% | 0.208 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 120.4 | 171 | -71 | 109.8 | 0 | 0 | 0 | 110.1 | T17 A21 F25 L95 V97 L121 T122 Q123 | T17-W128 HydrophobicContact CG2-CZ2 4.07Å; A21-W128 HydrophobicContact CB-CD2 3.88Å; A21-W128 HydrophobicContact CB-CG 4.26Å; A21-W128 HydrophobicContact CB-CH2 4.2Å; A21-W128 HydrophobicContact CB-CZ2 3.55Å; F25-W128 HydrophobicContact CD2-CB 4.31Å; L95-W128 HydrophobicContact CD2-CH2 3.55Å; L95-W128 HydrophobicContact CD2-CZ2 4.16Å; L95-W128 HydrophobicContact CG-CH2 3.84Å; L95-W128 HydrophobicContact CG-CZ3 4.46Å; V97-W128 HydrophobicContact CB-CZ3 4.48Å; V97-W128 HydrophobicContact CG2-CH2 3.69Å; V97-W128 HydrophobicContact CG2-CZ3 3.79Å; L121-W128 HydrophobicContact CB-CE3 3.94Å; L121-W128 HydrophobicContact CB-CZ3 4.43Å; T122-W128 WeakPolarHBondContact O-CA 3.31Å; Q123-W128 HydrophobicContact CG-CD2 3.91Å; Q123-W128 HydrophobicContact CG-CE3 3.76Å; Q123-W128 HydrophobicContact CG-CH2 3.84Å; Q123-W128 HydrophobicContact CG-CZ2 3.94Å; Q123-W128 HydrophobicContact CG-CZ3 3.74Å |
| 129 | R | 98 | Very high | 96 | Very high | 48 Ų | 48 | 61.6 Ų | 61.6 | 18% | 0.181 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 151.2 | 179.8 | -65.6 | -168.9 | -177.8 | -158.5 | -10.2 | 111.3 | F44 M46 L121 T122 E124 L127 Q131 | F44-R129 CarbonylContact O-C 3.5Å; F44-R129 VanDerWaalsContact O-CA 3.29Å; F44-R129 WeakPolarHBondContact O-CA 3.5Å; M46-R129 HydrophobicContact CG-CB 3.93Å; M46-R129 HydrophobicContact SD-CB 3.57Å; M46-R129 VanDerWaalsContact SD-CB 3.57Å; M46-R129 HydrophobicContact SD-CG 4.33Å; L121-R129 CarbonylContact C-O 3.56Å; L121-R129 WeakPolarHBondContact CA-O 3.37Å; T122-R129 PolarHBondContact N-O 3.18Å; T122-R129 PolarHBondContact O-N 2.81Å; E124-R129 WeakPolarHBondContact OE2-CD 3.37Å; E124-R129 IonicContact OE2-CZ 3.24Å; E124-R129 VanDerWaalsContact OE2-CZ 3.22Å; E124-R129 IonicContact OE2-NE 3.22Å; E124-R129 PolarHBondContact OE2-NE 3.07Å; E124-R129 IonicContact OE2-NH1 3.36Å; E124-R129 PolarHBondContact OE2-NH1 2.9Å; L127-R129 PolarHBondContact O-N 2.92Å; R129-Q131 PolarHBondContact O-N 3.29Å |
| 130 | V | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.7 | 178.7 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | F25 F44 F45 M46 V49 F119 L121 S132 V133 | F25-V130 HydrophobicContact CE1-CG2 4.02Å; F25-V130 HydrophobicContact CE2-CG2 3.84Å; F25-V130 HydrophobicContact CZ-CG2 3.23Å; F44-V130 PolarHBondContact O-N 2.82Å; F45-V130 HydrophobicContact CD1-CB 3.59Å; F45-V130 HydrophobicContact CD1-CG1 3.92Å; F45-V130 HydrophobicContact CD1-CG2 4.1Å; F45-V130 HydrophobicContact CE1-CB 3.93Å; F45-V130 HydrophobicContact CE1-CG1 3.99Å; F45-V130 HydrophobicContact CE1-CG2 4.06Å; M46-V130 WeakPolarHBondContact CG-O 3.28Å; M46-V130 PolarHBondContact N-O 3.24Å; V49-V130 HydrophobicContact CG2-CG1 4.07Å; F119-V130 HydrophobicContact CD1-CG1 4.17Å; F119-V130 HydrophobicContact CD1-CG2 3.77Å; F119-V130 HydrophobicContact CE1-CG2 4.44Å; L121-V130 HydrophobicContact CD2-CB 4.49Å; L121-V130 HydrophobicContact CD2-CG2 3.69Å; V130-S132 WeakPolarHBondContact CG1-O 3.3Å; V130-V133 HydrophobicContact CG1-CB 3.82Å; V130-V133 HydrophobicContact CG1-CG1 3.99Å |
| 131 | Q | 97.4 | Very high | 95.7 | Very high | 30 Ų | 30 | 64.3 Ų | 64.3 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -38.2 | 169.8 | -180 | 66.1 | 90.6 | 0 | 0 | 111.4 | M46 N48 V49 V50 F120 T122 R129 | M46-Q131 HydrophobicContact CG-CB 4.45Å; N48-Q131 PolarHBondContact OD1-NE2 2.85Å; V49-Q131 WeakPolarHBondContact CA-O 3.38Å; V50-Q131 PolarHBondContact N-O 3Å; F120-Q131 PolarHBondContact O-N 2.96Å; T122-Q131 HydrophobicContact CG2-CB 4.46Å; R129-Q131 PolarHBondContact O-N 3.29Å |
| 132 | S | 98.1 | Very high | 95.6 | Very high | 35 Ų | 35 | 67.9 Ų | 67.9 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 149.9 | 173.3 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | V50 F120 V130 | V50-S132 CarbonylContact O-C 3.58Å; V50-S132 VanDerWaalsContact O-CA 3.23Å; V50-S132 WeakPolarHBondContact O-CA 3.45Å; F120-S132 VanDerWaalsContact CD2-OG 3.25Å; F120-S132 WeakPolarHBondContact CD2-OG 3.36Å; F120-S132 PolarHBondContact N-O 2.92Å; V130-S132 WeakPolarHBondContact CG1-O 3.3Å |
| 133 | V | 98.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 137.6 | 179 | 52 | 0 | 0 | 0 | 0 | 110.6 | F45 V49 V50 L51 L52 E117 T118 F119 V130 | F45-V133 HydrophobicContact CE1-CG1 4.21Å; V49-V133 HydrophobicContact CG2-CG1 4.48Å; V50-V133 PolarHBondContact O-N 2.84Å; L51-V133 CarbonylContact C-O 3.53Å; L51-V133 WeakPolarHBondContact CA-O 3.43Å; L51-V133 HydrophobicContact CB-CG1 4.1Å; L51-V133 HydrophobicContact CD1-CG1 3.64Å; L51-V133 HydrophobicContact CD1-CG2 4.48Å; L51-V133 HydrophobicContact CG-CG1 4.48Å; L52-V133 PolarHBondContact N-O 3.07Å; E117-V133 HydrophobicContact CG-CG2 3.7Å; E117-V133 WeakPolarHBondContact OE1-CG2 3.19Å; T118-V133 CarbonylContact O-C 3.56Å; T118-V133 VanDerWaalsContact O-CA 3.25Å; T118-V133 WeakPolarHBondContact O-CA 3.33Å; F119-V133 HydrophobicContact CD1-CB 3.85Å; F119-V133 HydrophobicContact CD1-CG2 3.59Å; F119-V133 HydrophobicContact CE1-CB 4.21Å; F119-V133 HydrophobicContact CE1-CG2 3.54Å; F119-V133 HydrophobicContact CG-CG2 4.4Å; F119-V133 HydrophobicContact CZ-CG2 4.33Å; V130-V133 HydrophobicContact CG1-CB 3.82Å; V130-V133 HydrophobicContact CG1-CG1 3.99Å |
| 134 | T | 98.8 | Very high | 95.6 | Very high | 57 Ų | 57 | 70.4 Ų | 70.4 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 118.4 | 172 | -61.8 | 0 | 0 | 0 | 0 | 108.9 | L52 E117 T118 | L52-T134 HydrophobicContact CB-CG2 4.2Å; L52-T134 HydrophobicContact CD2-CG2 3.96Å; L52-T134 HydrophobicContact CG-CG2 4.39Å; L52-T134 CarbonylContact O-C 3.55Å; L52-T134 WeakPolarHBondContact O-CA 3.35Å; E117-T134 CarbonylContact C-O 3.55Å; E117-T134 VanDerWaalsContact CA-O 3.29Å; E117-T134 WeakPolarHBondContact CA-O 3.44Å; T118-T134 PolarHBondContact N-O 3.01Å; T118-T134 PolarHBondContact O-N 2.9Å |
| 135 | F | 98.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 71.4 Ų | 71.4 | 2% | 0.018 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.5 | 176.5 | -179.2 | -79.4 | 0 | 0 | 0 | 109.5 | L52 W53 N54 I105 F115 E117 F137 | L52-F135 PolarHBondContact O-N 3.46Å; W53-F135 HydrophobicContact CD2-CB 4.33Å; W53-F135 AromaticContact CD2-CD1 3.82Å; W53-F135 HydrophobicContact CD2-CD1 3.82Å; W53-F135 HydrophobicContact CD2-CG 4.25Å; W53-F135 AromaticContact CE2-CD1 3.91Å; W53-F135 HydrophobicContact CE3-CB 3.59Å; W53-F135 AromaticContact CE3-CD1 3.63Å; W53-F135 HydrophobicContact CE3-CD1 3.63Å; W53-F135 HydrophobicContact CE3-CD2 4.33Å; W53-F135 HydrophobicContact CE3-CE1 4.43Å; W53-F135 AromaticContact CE3-CG 3.59Å; W53-F135 HydrophobicContact CE3-CG 3.59Å; W53-F135 AromaticContact CH2-CD1 3.64Å; W53-F135 HydrophobicContact CH2-CD1 3.64Å; W53-F135 HydrophobicContact CH2-CD2 4.11Å; W53-F135 AromaticContact CH2-CE1 3.61Å; W53-F135 HydrophobicContact CH2-CE1 3.61Å; W53-F135 HydrophobicContact CH2-CE2 4.07Å; W53-F135 AromaticContact CH2-CG 3.92Å; W53-F135 HydrophobicContact CH2-CG 3.92Å; W53-F135 AromaticContact CH2-CZ 3.83Å; W53-F135 HydrophobicContact CH2-CZ 3.83Å; W53-F135 AromaticContact CZ2-CD1 3.84Å; W53-F135 HydrophobicContact CZ2-CD1 3.84Å; W53-F135 AromaticContact CZ2-CE1 3.73Å; W53-F135 HydrophobicContact CZ2-CE1 3.73Å; W53-F135 HydrophobicContact CZ2-CZ 4.31Å; W53-F135 HydrophobicContact CZ3-CB 3.86Å; W53-F135 AromaticContact CZ3-CD1 3.53Å; W53-F135 HydrophobicContact CZ3-CD1 3.53Å; W53-F135 AromaticContact CZ3-CD2 3.71Å; W53-F135 HydrophobicContact CZ3-CD2 3.71Å; W53-F135 AromaticContact CZ3-CE1 3.99Å; W53-F135 HydrophobicContact CZ3-CE1 3.99Å; W53-F135 HydrophobicContact CZ3-CE2 4.13Å; W53-F135 AromaticContact CZ3-CG 3.4Å; W53-F135 HydrophobicContact CZ3-CG 3.4Å; W53-F135 HydrophobicContact CZ3-CZ 4.26Å; N54-F135 PolarHBondContact N-O 2.87Å; I105-F135 HydrophobicContact CD1-CZ 4.39Å; I105-F135 HydrophobicContact CG2-CZ 4.24Å; F115-F135 HydrophobicContact CB-CE1 4.25Å; F115-F135 HydrophobicContact CB-CE2 3.9Å; F115-F135 HydrophobicContact CB-CZ 3.56Å; F115-F135 HydrophobicContact CD1-CE2 4.49Å; F115-F135 AromaticContact CD2-CD2 3.91Å; F115-F135 HydrophobicContact CD2-CD2 3.91Å; F115-F135 AromaticContact CD2-CE2 3.3Å; F115-F135 HydrophobicContact CD2-CE2 3.3Å; F115-F135 AromaticContact CD2-CZ 3.91Å; F115-F135 HydrophobicContact CD2-CZ 3.91Å; F115-F135 HydrophobicContact CE2-CD2 4.43Å; F115-F135 AromaticContact CE2-CE2 3.89Å; F115-F135 HydrophobicContact CE2-CE2 3.89Å; F115-F135 AromaticContact CG-CE2 3.66Å; F115-F135 HydrophobicContact CG-CE2 3.66Å; F115-F135 AromaticContact CG-CZ 3.79Å; F115-F135 HydrophobicContact CG-CZ 3.79Å; E117-F135 HydrophobicContact CB-CD2 4.01Å; E117-F135 HydrophobicContact CG-CB 4.19Å; E117-F135 HydrophobicContact CG-CD2 3.98Å; F135-F137 AromaticContact CE1-CD1 3.72Å; F135-F137 HydrophobicContact CE1-CD1 3.72Å; F135-F137 AromaticContact CE1-CE1 3.51Å; F135-F137 HydrophobicContact CE1-CE1 3.51Å; F135-F137 HydrophobicContact CE1-CE2 4.38Å; F135-F137 HydrophobicContact CE1-CG 4.24Å; F135-F137 AromaticContact CE1-CZ 3.87Å; F135-F137 HydrophobicContact CE1-CZ 3.87Å; F135-F137 HydrophobicContact CZ-CD1 4.01Å; F135-F137 AromaticContact CZ-CE1 3.67Å; F135-F137 HydrophobicContact CZ-CE1 3.67Å; F135-F137 HydrophobicContact CZ-CZ 4.33Å |
| 136 | R | 98.5 | Very high | 96.2 | Very high | 140 Ų | 140 | 68.7 Ų | 68.7 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 131.5 | 176.3 | 177.4 | 169.5 | -66.9 | 172.2 | 0.4 | 111.5 | N54 F115 S116 | N54-R136 WeakPolarHBondContact OD1-CA 3.14Å; F115-R136 CarbonylContact C-O 3.6Å; F115-R136 VanDerWaalsContact CA-O 3.27Å; F115-R136 WeakPolarHBondContact CA-O 3.13Å; S116-R136 PolarHBondContact N-O 3.36Å; S116-R136 PolarHBondContact O-N 3.09Å |
| 137 | F | 98.2 | Very high | 96.6 | Very high | 53 Ų | 53 | 62.7 Ų | 62.7 | 23% | 0.232 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 142.1 | 163.3 | -61.6 | -54.4 | 0 | 0 | 0 | 110.3 | W53 N54 I105 F107 H113 I114 F115 F135 | W53-F137 HydrophobicContact CZ2-CZ 4.23Å; N54-F137 WeakPolarHBondContact ND2-CD2 3.29Å; N54-F137 VanDerWaalsContact ND2-CE2 3.31Å; N54-F137 WeakPolarHBondContact ND2-CE2 3.41Å; N54-F137 PolarHBondContact OD1-N 3.2Å; I105-F137 HydrophobicContact CG2-CD1 4.19Å; I105-F137 HydrophobicContact CG2-CE1 3.63Å; F107-F137 HydrophobicContact CD2-CZ 4.39Å; F107-F137 AromaticContact CE2-CE1 3.98Å; F107-F137 HydrophobicContact CE2-CE1 3.98Å; F107-F137 AromaticContact CE2-CZ 3.7Å; F107-F137 HydrophobicContact CE2-CZ 3.7Å; H113-F137 HydrophobicContact CB-CD1 3.66Å; H113-F137 HydrophobicContact CB-CE1 4.06Å; H113-F137 HydrophobicContact CB-CG 4.35Å; I114-F137 WeakPolarHBondContact O-CA 3.35Å; F115-F137 HydrophobicContact CB-CD1 4.29Å; F135-F137 AromaticContact CE1-CD1 3.72Å; F135-F137 HydrophobicContact CE1-CD1 3.72Å; F135-F137 AromaticContact CE1-CE1 3.51Å; F135-F137 HydrophobicContact CE1-CE1 3.51Å; F135-F137 HydrophobicContact CE1-CE2 4.38Å; F135-F137 HydrophobicContact CE1-CG 4.24Å; F135-F137 AromaticContact CE1-CZ 3.87Å; F135-F137 HydrophobicContact CE1-CZ 3.87Å; F135-F137 HydrophobicContact CZ-CD1 4.01Å; F135-F137 AromaticContact CZ-CE1 3.67Å; F135-F137 HydrophobicContact CZ-CE1 3.67Å; F135-F137 HydrophobicContact CZ-CZ 4.33Å |
| 138 | I | 95.6 | Very high | 96.7 | Very high | 70 Ų | 70 | 59.7 Ų | 59.7 | 36% | 0.359 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 111.4 | 174.8 | -59.5 | 172 | 0 | 0 | 0 | 106.1 | F102 I114 | F102-I138 HydrophobicContact CD2-CD1 3.94Å; F102-I138 HydrophobicContact CE2-CD1 3.7Å; I114-I138 HydrophobicContact CB-CB 4.25Å; I114-I138 HydrophobicContact CG2-CB 3.96Å; I114-I138 HydrophobicContact CG2-CD1 4.13Å; I114-I138 HydrophobicContact CG2-CG1 4.48Å; I114-I138 PolarHBondContact O-N 3.15Å |
| 139 | D | 82.6 | Confident | 96.6 | Very high | 223 Ų | 223 | 60.1 Ų | 60.1 | 100% | 1.193 | 30% | 0.296 | S | S | * | . | trans | -89 | 0 | 175.1 | 50.8 | -24.4 | 0 | 0 | 0 | 112.7 |
Retrieved 139 of 139 residues in 124.2 ms
(Link to these results)