| 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 | 58.1 | Low | 70.7 | Confident | 232 Ų | 232 | 141.9 Ų | 141.9 | 100% | 1.143 | 79% | 0.791 | S | S | * | * | 0 | 130.6 | 0 | -68.4 | -169.9 | 107.1 | 0 | 0 | 108.8 | |||||
| 2 | P | 73.8 | Confident | 70.5 | Confident | 131 Ų | 131 | 135.6 Ų | 135.6 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 134 | 175.8 | -10.3 | 25.3 | 0 | 0 | 0 | 109.6 | R4 | P2-R4 PolarHBondContact O-N 3.48Š|
| 3 | K | 79.9 | Confident | 70.5 | Confident | 210 Ų | 210 | 133.7 Ų | 133.7 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 133.9 | 171.5 | -76 | -168.1 | 178.1 | -178.6 | 0 | 108.6 | G5 | K3-G5 PolarHBondContact O-N 3.49Š|
| 4 | R | 80.8 | Confident | 70.7 | Confident | 245 Ų | 245 | 135.1 Ų | 135.1 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 135.7 | 175.2 | -60.8 | -177.8 | -167.8 | -88.2 | 1.1 | 108.8 | P2 | P2-R4 PolarHBondContact O-N 3.48Š|
| 5 | G | 78.1 | Confident | 70.9 | Confident | 68 Ų | 68 | 139.1 Ų | 139.1 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 148.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K3 P7 | K3-G5 PolarHBondContact O-N 3.49Å; G5-P7 WeakPolarHBondContact O-CD 3.39Å |
| 6 | C | 70.4 | Confident | 71.3 | Confident | 86 Ų | 86 | 138.9 Ų | 138.9 | 58% | 0.581 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 118.5 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | F8 A9 | C6-F8 PolarHBondContact O-N 3.12Å; C6-F8 VanDerWaalsContact O-N 3.12Å; C6-A9 HydrophobicContact CB-CB 4.41Å; C6-A9 PolarHBondContact O-N 3.4Å |
| 7 | P | 73 | Confident | 72.1 | Confident | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -5.5 | -176.8 | 27.9 | -33.1 | 0 | 0 | 0 | 113.9 | G5 | G5-P7 WeakPolarHBondContact O-CD 3.39Š|
| 8 | F | 70.3 | Confident | 72.8 | Confident | 150 Ų | 150 | 141.5 Ų | 141.5 | 66% | 0.658 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 2.9 | -177.2 | -56.2 | -72.3 | 0 | 0 | 0 | 113.7 | C6 D10 | C6-F8 PolarHBondContact O-N 3.12Å; C6-F8 VanDerWaalsContact O-N 3.12Å; F8-D10 VanDerWaalsContact C-N 3.33Å; F8-D10 PolarHBondContact O-N 3.37Å |
| 9 | A | 61.8 | Low | 73.7 | Confident | 71 Ų | 71 | 146.5 Ų | 146.5 | 59% | 0.587 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -34.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C6 | C6-A9 HydrophobicContact CB-CB 4.41Å; C6-A9 PolarHBondContact O-N 3.4Å |
| 10 | D | 63.9 | Low | 74.6 | Confident | 170 Ų | 170 | 144 Ų | 144 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -6.2 | -169.2 | -62.8 | -33.9 | 0 | 0 | 0 | 114.8 | F8 | F8-D10 VanDerWaalsContact C-N 3.33Å; F8-D10 PolarHBondContact O-N 3.37Å |
| 11 | A | 67.4 | Low | 75.5 | Confident | 86 Ų | 86 | 138.1 Ų | 138.1 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.4 | 2.9 | -171 | 0 | 0 | 0 | 0 | 0 | 115.7 | P13 | A11-P13 WeakPolarHBondContact O-CD 3.33Š|
| 12 | A | 68.5 | Low | 77.2 | Confident | 66 Ų | 66 | 132.9 Ų | 132.9 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | trans | -72.1 | 119.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | L14 | A12-L14 PolarHBondContact O-N 3.26Š| ||
| 13 | P | 70.9 | Confident | 78.1 | Confident | 111 Ų | 111 | 134.2 Ų | 134.2 | 72% | 0.721 | 71% | 0.708 | S | S | * | * | trans | -57.6 | 131.9 | 173.8 | 22.4 | -30.6 | 0 | 0 | 0 | 108.7 | A11 Q15 | A11-P13 WeakPolarHBondContact O-CD 3.33Å; P13-Q15 PolarHBondContact O-N 2.92Å | ||
| 14 | L | 72.7 | Confident | 78.8 | Confident | 153 Ų | 153 | 129.3 Ų | 129.3 | 80% | 0.801 | 69% | 0.689 | S | S | * | * | trans | -53.7 | 109.9 | 175.3 | -74.4 | 165.3 | 0 | 0 | 0 | 108.3 | A12 L16 | A12-L14 PolarHBondContact O-N 3.26Å; L14-L16 HydrophobicContact CB-CD2 4.3Å; L14-L16 HydrophobicContact CB-CG 4.2Å; L14-L16 PolarHBondContact O-N 2.91Å | ||
| 15 | Q | 74.1 | Confident | 79.4 | Confident | 195 Ų | 195 | 120 Ų | 120 | 91% | 0.911 | 66% | 0.659 | S | S | * | * | trans | -71.2 | 85.8 | 174 | -71.3 | -174.8 | -13.1 | 0 | 0 | 108.4 | P13 K17 | P13-Q15 PolarHBondContact O-N 2.92Å; Q15-K17 PolarHBondContact O-N 3.19Å | ||
| 16 | L | 77.8 | Confident | 80.1 | Confident | 136 Ų | 136 | 118.6 Ų | 118.6 | 71% | 0.712 | 64% | 0.639 | S | S | * | * | trans | -81 | 115.3 | 177.8 | -63.1 | 175.3 | 0 | 0 | 0 | 109.1 | L14 V18 | L14-L16 HydrophobicContact CB-CD2 4.3Å; L14-L16 HydrophobicContact CB-CG 4.2Å; L14-L16 PolarHBondContact O-N 2.91Å; L16-V18 PolarHBondContact O-N 3.45Å | ||
| 17 | K | 84 | Confident | 81.1 | Confident | 210 Ų | 210 | 123 Ų | 123 | 91% | 0.913 | 64% | 0.643 | S | S | * | * | trans | -77.3 | 102.1 | 171.5 | -170.5 | 173.9 | -176.6 | 175.7 | 0 | 109.1 | Q15 | Q15-K17 PolarHBondContact O-N 3.19Š| ||
| 18 | V | 85.3 | Confident | 82.1 | Confident | 115 Ų | 115 | 119.7 Ų | 119.7 | 70% | 0.697 | 63% | 0.629 | S | S | * | * | trans | -83.3 | 126.4 | 173.6 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | L16 V20 | L16-V18 PolarHBondContact O-N 3.45Å; V18-V20 HydrophobicContact CG1-CG2 4.3Å | ||
| 19 | R | 89.5 | Confident | 83.2 | Confident | 236 Ų | 236 | 119.5 Ų | 119.5 | 89% | 0.891 | 64% | 0.64 | S | S | * | * | trans | -84.9 | 115.5 | 170.2 | -178.8 | -178.7 | 178.2 | -176.8 | -0.3 | 108.7 | ||||
| 20 | V | 91.8 | Very high | 84.7 | Confident | 96 Ų | 96 | 117.3 Ų | 117.3 | 58% | 0.582 | 62% | 0.62 | S | S | * | * | trans | -101.2 | 121.8 | 170.6 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | V18 E24 V25 | V18-V20 HydrophobicContact CG1-CG2 4.3Å; V20-E24 HydrophobicContact CG1-CB 3.93Å; V20-V25 HydrophobicContact CG1-CG2 3.79Å | ||
| 21 | G | 93.5 | Very high | 86.2 | Confident | 22 Ų | 22 | 110.9 Ų | 110.9 | 23% | 0.227 | 59% | 0.591 | C | S | . | * | trans | -97.3 | 173.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R23 E24 V25 | G21-R23 PolarHBondContact O-N 2.63Å; G21-E24 WeakPolarHBondContact CA-OE2 3.19Å; G21-E24 PolarHBondContact N-OE2 2.84Å; G21-E24 PolarHBondContact O-N 2.84Å; G21-E24 VanDerWaalsContact O-OE2 3.07Å; G21-V25 WeakPolarHBondContact O-CG2 3.25Å; G21-V25 PolarHBondContact O-N 3.28Å; G21-V25 VanDerWaalsContact O-N 3.11Å | ||
| 22 | Q | 93.9 | Very high | 87.6 | Confident | 122 Ų | 122 | 114.2 Ų | 114.2 | 57% | 0.57 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.3 | -35.5 | -179.9 | -174.7 | 58.8 | 44.1 | 0 | 0 | 112.1 | V25 S26 | Q22-V25 PolarHBondContact O-N 3.02Å; Q22-S26 PolarHBondContact NE2-OG 3.13Å; Q22-S26 VanDerWaalsContact O-CB 3.26Å; Q22-S26 WeakPolarHBondContact O-CB 3.46Å; Q22-S26 PolarHBondContact O-N 2.94Å; Q22-S26 PolarHBondContact O-OG 3.5Å; Q22-S26 VanDerWaalsContact O-OG 3.1Å |
| 23 | R | 92.6 | Very high | 89 | Confident | 158 Ų | 158 | 117.3 Ų | 117.3 | 60% | 0.596 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.6 | -43.1 | 179 | -178.4 | -178.7 | 174.2 | -172.8 | -2.6 | 111.2 | G21 S26 R27 | G21-R23 PolarHBondContact O-N 2.63Å; R23-S26 PolarHBondContact O-N 2.74Å; R23-R27 VanDerWaalsContact NH2-NH1 3.14Å; R23-R27 WeakPolarHBondContact O-CB 3.44Å; R23-R27 WeakPolarHBondContact O-CG 3.33Å; R23-R27 PolarHBondContact O-N 2.8Å |
| 24 | E | 94.1 | Very high | 90.2 | Very high | 107 Ų | 107 | 115.3 Ų | 115.3 | 50% | 0.5 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.3 | -40.6 | 178.8 | -64.8 | 72.2 | -157.2 | 0 | 0 | 110.6 | V20 G21 G28 | V20-E24 HydrophobicContact CG1-CB 3.93Å; G21-E24 WeakPolarHBondContact CA-OE2 3.19Å; G21-E24 PolarHBondContact N-OE2 2.84Å; G21-E24 PolarHBondContact O-N 2.84Å; G21-E24 VanDerWaalsContact O-OE2 3.07Å; E24-G28 WeakPolarHBondContact O-CA 3.34Å; E24-G28 PolarHBondContact O-N 3.05Å |
| 25 | V | 93.6 | Very high | 91.3 | Very high | 50 Ų | 50 | 111.4 Ų | 111.4 | 30% | 0.303 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -48.4 | 174.5 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | V20 G21 Q22 R27 G28 C30 | V20-V25 HydrophobicContact CG1-CG2 3.79Å; G21-V25 WeakPolarHBondContact O-CG2 3.25Å; G21-V25 PolarHBondContact O-N 3.28Å; G21-V25 VanDerWaalsContact O-N 3.11Å; Q22-V25 PolarHBondContact O-N 3.02Å; V25-R27 VanDerWaalsContact C-N 3.28Å; V25-R27 PolarHBondContact O-N 2.96Å; V25-G28 PolarHBondContact O-N 3Å; V25-C30 HydrophobicContact CG1-CB 4.29Å; V25-C30 WeakPolarHBondContact O-CB 3.15Å; V25-C30 PolarHBondContact O-N 2.95Å; V25-C30 VanDerWaalsContact O-N 3.07Å |
| 26 | S | 93.2 | Very high | 92.4 | Very high | 39 Ų | 39 | 107.9 Ų | 107.9 | 27% | 0.273 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -27 | -178 | -70.8 | 0 | 0 | 0 | 0 | 113.7 | Q22 R23 A31 Y34 | Q22-S26 PolarHBondContact NE2-OG 3.13Å; Q22-S26 VanDerWaalsContact O-CB 3.26Å; Q22-S26 WeakPolarHBondContact O-CB 3.46Å; Q22-S26 PolarHBondContact O-N 2.94Å; Q22-S26 PolarHBondContact O-OG 3.5Å; Q22-S26 VanDerWaalsContact O-OG 3.1Å; R23-S26 PolarHBondContact O-N 2.74Å; S26-A31 VanDerWaalsContact O-CA 3.25Å; S26-A31 WeakPolarHBondContact O-CA 2.96Å; S26-Y34 WeakPolarHBondContact OG-CE2 2.96Å |
| 27 | R | 91.7 | Very high | 93.4 | Very high | 179 Ų | 179 | 106.2 Ų | 106.2 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -99.2 | -13 | 176.8 | -67.4 | -177.1 | 176.4 | -154.5 | -4.9 | 114.1 | R23 V25 A31 | R23-R27 VanDerWaalsContact NH2-NH1 3.14Å; R23-R27 WeakPolarHBondContact O-CB 3.44Å; R23-R27 WeakPolarHBondContact O-CG 3.33Å; R23-R27 PolarHBondContact O-N 2.8Å; V25-R27 VanDerWaalsContact C-N 3.28Å; V25-R27 PolarHBondContact O-N 2.96Å; R27-A31 WeakPolarHBondContact O-CB 3.29Å |
| 28 | G | 93.8 | Very high | 94 | Very high | 42 Ų | 42 | 100.7 Ų | 100.7 | 43% | 0.433 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -113.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | E24 V25 C30 A31 | E24-G28 WeakPolarHBondContact O-CA 3.34Å; E24-G28 PolarHBondContact O-N 3.05Å; V25-G28 PolarHBondContact O-N 3Å; G28-C30 PolarHBondContact O-N 2.88Å; G28-C30 VanDerWaalsContact O-N 3.09Å; G28-A31 WeakPolarHBondContact O-CB 3.32Å; G28-A31 PolarHBondContact O-N 2.77Å |
| 29 | V | 92.4 | Very high | 94.6 | Very high | 146 Ų | 146 | 101.2 Ų | 101.2 | 89% | 0.885 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -31.2 | -171.4 | -175.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 30 | C | 94 | Very high | 95 | Very high | 24 Ų | 24 | 94.2 Ų | 94.2 | 16% | 0.162 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 6 | 179.3 | -62 | 0 | 0 | 0 | 0 | 114.4 | V25 G28 E32 Y34 | V25-C30 HydrophobicContact CG1-CB 4.29Å; V25-C30 WeakPolarHBondContact O-CB 3.15Å; V25-C30 PolarHBondContact O-N 2.95Å; V25-C30 VanDerWaalsContact O-N 3.07Å; G28-C30 PolarHBondContact O-N 2.88Å; G28-C30 VanDerWaalsContact O-N 3.09Å; C30-E32 PolarHBondContact O-N 2.84Å; C30-Y34 HydrophobicContact CB-CD2 3.63Å; C30-Y34 HydrophobicContact CB-CE2 3.35Å; C30-Y34 HydrophobicContact CB-CG 4.49Å; C30-Y34 VanDerWaalsContact O-CD2 3.25Å; C30-Y34 WeakPolarHBondContact O-CD2 3.44Å; C30-Y34 PolarHBondContact O-N 3.39Å |
| 31 | A | 95.8 | Very high | 95.3 | Very high | 36 Ų | 36 | 96.6 Ų | 96.6 | 30% | 0.298 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59 | -48.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S26 R27 G28 Y34 S35 | S26-A31 VanDerWaalsContact O-CA 3.25Å; S26-A31 WeakPolarHBondContact O-CA 2.96Å; R27-A31 WeakPolarHBondContact O-CB 3.29Å; G28-A31 WeakPolarHBondContact O-CB 3.32Å; G28-A31 PolarHBondContact O-N 2.77Å; A31-Y34 PolarHBondContact O-N 2.8Å; A31-S35 VanDerWaalsContact O-CB 3.29Å; A31-S35 WeakPolarHBondContact O-CB 3.27Å; A31-S35 PolarHBondContact O-N 3.37Å; A31-S35 PolarHBondContact O-OG 2.76Å |
| 32 | E | 97.3 | Very high | 95.5 | Very high | 156 Ų | 156 | 98.9 Ų | 98.9 | 73% | 0.729 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.8 | -52.1 | -177.3 | -173.1 | 174.2 | -171.9 | 0 | 0 | 111 | C30 Y34 S35 Q36 | C30-E32 PolarHBondContact O-N 2.84Å; E32-Y34 PolarHBondContact O-N 2.87Å; E32-S35 PolarHBondContact O-N 3.13Å; E32-S35 PolarHBondContact O-OG 2.84Å; E32-Q36 PolarHBondContact O-N 3.06Å |
| 33 | R | 97.1 | Very high | 95.7 | Very high | 130 Ų | 130 | 97.3 Ų | 97.3 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -55.3 | -49.9 | 177.5 | -171.9 | -175 | 68.3 | -170 | -3.8 | 112.1 | S35 Q36 E37 | R33-S35 VanDerWaalsContact C-N 3.34Å; R33-S35 PolarHBondContact O-N 3.46Å; R33-Q36 PolarHBondContact O-N 3.21Å; R33-E37 WeakPolarHBondContact CG-OE1 3.12Å; R33-E37 IonicContact NE-OE1 3.85Å; R33-E37 WeakPolarHBondContact O-CG 3.41Å; R33-E37 PolarHBondContact O-N 3.37Å |
| 34 | Y | 96.6 | Very high | 96 | Very high | 69 Ų | 69 | 98.4 Ų | 98.4 | 27% | 0.271 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.4 | -35.1 | -179.4 | -68.9 | -38.4 | 0 | 0 | 0 | 112.7 | S26 C30 A31 E32 Q36 E37 V38 | S26-Y34 WeakPolarHBondContact OG-CE2 2.96Å; C30-Y34 HydrophobicContact CB-CD2 3.63Å; C30-Y34 HydrophobicContact CB-CE2 3.35Å; C30-Y34 HydrophobicContact CB-CG 4.49Å; C30-Y34 VanDerWaalsContact O-CD2 3.25Å; C30-Y34 WeakPolarHBondContact O-CD2 3.44Å; C30-Y34 PolarHBondContact O-N 3.39Å; A31-Y34 PolarHBondContact O-N 2.8Å; E32-Y34 PolarHBondContact O-N 2.87Å; Y34-Q36 VanDerWaalsContact C-N 3.3Å; Y34-Q36 PolarHBondContact O-N 3.49Å; Y34-E37 PolarHBondContact O-N 2.77Å; Y34-V38 WeakPolarHBondContact O-CB 3.47Å; Y34-V38 VanDerWaalsContact O-CG2 3.25Å; Y34-V38 WeakPolarHBondContact O-CG2 3.26Å; Y34-V38 PolarHBondContact O-N 3.14Å |
| 35 | S | 95.3 | Very high | 96.2 | Very high | 71 Ų | 71 | 98.3 Ų | 98.3 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.6 | 74.5 | 0 | 0 | 0 | 0 | 111.5 | A31 E32 R33 V38 F39 | A31-S35 VanDerWaalsContact O-CB 3.29Å; A31-S35 WeakPolarHBondContact O-CB 3.27Å; A31-S35 PolarHBondContact O-N 3.37Å; A31-S35 PolarHBondContact O-OG 2.76Å; E32-S35 PolarHBondContact O-N 3.13Å; E32-S35 PolarHBondContact O-OG 2.84Å; R33-S35 VanDerWaalsContact C-N 3.34Å; R33-S35 PolarHBondContact O-N 3.46Å; S35-V38 PolarHBondContact O-N 2.9Å; S35-F39 WeakPolarHBondContact O-CB 3.46Å; S35-F39 PolarHBondContact O-N 3.29Å |
| 36 | Q | 97.8 | Very high | 96.4 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.1 | -44.6 | 177.1 | -167.9 | 175.3 | 13.2 | 0 | 0 | 111.6 | E32 R33 Y34 V38 F39 E40 | E32-Q36 PolarHBondContact O-N 3.06Å; R33-Q36 PolarHBondContact O-N 3.21Å; Y34-Q36 VanDerWaalsContact C-N 3.3Å; Y34-Q36 PolarHBondContact O-N 3.49Å; Q36-V38 VanDerWaalsContact C-N 3.34Å; Q36-V38 PolarHBondContact O-N 3.09Å; Q36-F39 PolarHBondContact O-N 3.1Å; Q36-E40 WeakPolarHBondContact O-CG 3.46Å; Q36-E40 PolarHBondContact O-N 3.32Å |
| 37 | E | 97.5 | Very high | 96.6 | Very high | 102 Ų | 102 | 106.3 Ų | 106.3 | 48% | 0.477 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 176 | -73.7 | 172.2 | -160.7 | 0 | 0 | 112 | R33 Y34 K41 | R33-E37 WeakPolarHBondContact CG-OE1 3.12Å; R33-E37 IonicContact NE-OE1 3.85Å; R33-E37 WeakPolarHBondContact O-CG 3.41Å; R33-E37 PolarHBondContact O-N 3.37Å; Y34-E37 PolarHBondContact O-N 2.77Å; E37-K41 VanDerWaalsContact O-CB 3.29Å; E37-K41 WeakPolarHBondContact O-CB 3.49Å; E37-K41 PolarHBondContact O-N 3.43Å |
| 38 | V | 97.1 | Very high | 96.8 | Very high | 93 Ų | 93 | 101.8 Ų | 101.8 | 56% | 0.564 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.5 | -43.5 | 177 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | Y34 S35 Q36 K41 T42 | Y34-V38 WeakPolarHBondContact O-CB 3.47Å; Y34-V38 VanDerWaalsContact O-CG2 3.25Å; Y34-V38 WeakPolarHBondContact O-CG2 3.26Å; Y34-V38 PolarHBondContact O-N 3.14Å; S35-V38 PolarHBondContact O-N 2.9Å; Q36-V38 VanDerWaalsContact C-N 3.34Å; Q36-V38 PolarHBondContact O-N 3.09Å; V38-K41 PolarHBondContact O-N 3.1Å; V38-T42 VanDerWaalsContact O-CB 3.32Å; V38-T42 WeakPolarHBondContact O-CB 3.49Å; V38-T42 PolarHBondContact O-N 3.32Å; V38-T42 PolarHBondContact O-OG1 2.86Å |
| 39 | F | 97.9 | Very high | 96.9 | Very high | 127 Ų | 127 | 102 Ų | 102 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.7 | -52 | 178.1 | 178.4 | -96.6 | 0 | 0 | 0 | 111.5 | S35 Q36 K41 T42 K43 | S35-F39 WeakPolarHBondContact O-CB 3.46Å; S35-F39 PolarHBondContact O-N 3.29Å; Q36-F39 PolarHBondContact O-N 3.1Å; F39-K41 VanDerWaalsContact C-N 3.34Å; F39-K41 PolarHBondContact O-N 2.83Å; F39-T42 PolarHBondContact O-N 3.43Å; F39-K43 HydrophobicContact CE1-CD 4.23Å; F39-K43 VanDerWaalsContact O-CB 3.31Å; F39-K43 WeakPolarHBondContact O-CB 3.38Å; F39-K43 PolarHBondContact O-N 2.97Å |
| 40 | E | 98.6 | Very high | 97 | Very high | 89 Ų | 89 | 97.5 Ų | 97.5 | 42% | 0.416 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | -179.5 | -72.2 | -57.2 | 145.1 | 0 | 0 | 112.2 | Q36 K43 R44 | Q36-E40 WeakPolarHBondContact O-CG 3.46Å; Q36-E40 PolarHBondContact O-N 3.32Å; E40-K43 IonicContact OE2-NZ 3.99Å; E40-R44 WeakPolarHBondContact O-CB 3.37Å; E40-R44 PolarHBondContact O-N 3.37Å |
| 41 | K | 98.3 | Very high | 96.9 | Very high | 146 Ų | 146 | 101.5 Ų | 101.5 | 64% | 0.635 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 174.8 | -175.4 | 176.3 | -179 | 177.7 | 0 | 111.7 | E37 V38 F39 R44 L45 | E37-K41 VanDerWaalsContact O-CB 3.29Å; E37-K41 WeakPolarHBondContact O-CB 3.49Å; E37-K41 PolarHBondContact O-N 3.43Å; V38-K41 PolarHBondContact O-N 3.1Å; F39-K41 VanDerWaalsContact C-N 3.34Å; F39-K41 PolarHBondContact O-N 2.83Å; K41-R44 PolarHBondContact O-N 3.11Å; K41-L45 HydrophobicContact CG-CD1 4.29Å; K41-L45 WeakPolarHBondContact O-CG 3.49Å; K41-L45 PolarHBondContact O-N 3.22Å |
| 42 | T | 98.3 | Very high | 96.6 | Very high | 70 Ų | 70 | 102 Ų | 102 | 43% | 0.429 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | -180 | -56 | 0 | 0 | 0 | 0 | 110.4 | V38 F39 R44 L45 L46 | V38-T42 VanDerWaalsContact O-CB 3.32Å; V38-T42 WeakPolarHBondContact O-CB 3.49Å; V38-T42 PolarHBondContact O-N 3.32Å; V38-T42 PolarHBondContact O-OG1 2.86Å; F39-T42 PolarHBondContact O-N 3.43Å; T42-R44 PolarHBondContact O-N 2.79Å; T42-L45 PolarHBondContact O-N 2.99Å; T42-L46 HydrophobicContact CG2-CD1 4.21Å; T42-L46 WeakPolarHBondContact O-CG 3.45Å; T42-L46 PolarHBondContact O-N 3.14Å |
| 43 | K | 98 | Very high | 96 | Very high | 88 Ų | 88 | 102.4 Ų | 102.4 | 38% | 0.383 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -54.2 | -50.5 | 174.3 | 179.6 | -177.4 | 171.4 | -170.8 | 0 | 111.4 | F39 E40 L45 L46 F47 | F39-K43 HydrophobicContact CE1-CD 4.23Å; F39-K43 VanDerWaalsContact O-CB 3.31Å; F39-K43 WeakPolarHBondContact O-CB 3.38Å; F39-K43 PolarHBondContact O-N 2.97Å; E40-K43 IonicContact OE2-NZ 3.99Å; K43-L45 PolarHBondContact O-N 3.18Å; K43-L46 PolarHBondContact O-N 3.02Å; K43-F47 HydrophobicContact CD-CE2 4.37Å; K43-F47 HydrophobicContact CG-CD2 3.8Å; K43-F47 HydrophobicContact CG-CE2 3.6Å; K43-F47 WeakPolarHBondContact O-CD2 3.35Å; K43-F47 PolarHBondContact O-N 2.99Å |
| 44 | R | 98.2 | Very high | 95.3 | Very high | 181 Ų | 181 | 101.3 Ų | 101.3 | 68% | 0.683 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.4 | -44.5 | 178.1 | -174.5 | 177.4 | 179.3 | -177.6 | -0 | 112.2 | E40 K41 T42 L46 F47 L48 | E40-R44 WeakPolarHBondContact O-CB 3.37Å; E40-R44 PolarHBondContact O-N 3.37Å; K41-R44 PolarHBondContact O-N 3.11Å; T42-R44 PolarHBondContact O-N 2.79Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.44Å; R44-F47 PolarHBondContact O-N 3.4Å; R44-L48 HydrophobicContact CG-CD1 3.96Å; R44-L48 HydrophobicContact CG-CG 4.35Å; R44-L48 WeakPolarHBondContact O-CB 3.05Å; R44-L48 VanDerWaalsContact O-CG 3.3Å; R44-L48 WeakPolarHBondContact O-CG 3.15Å; R44-L48 PolarHBondContact O-N 3.46Å |
| 45 | L | 98.3 | Very high | 94.2 | Very high | 106 Ų | 106 | 102.5 Ų | 102.5 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -40.9 | 178 | -73.7 | 171.8 | 0 | 0 | 0 | 112.2 | K41 T42 K43 L48 G49 | K41-L45 HydrophobicContact CG-CD1 4.29Å; K41-L45 WeakPolarHBondContact O-CG 3.49Å; K41-L45 PolarHBondContact O-N 3.22Å; T42-L45 PolarHBondContact O-N 2.99Å; K43-L45 PolarHBondContact O-N 3.18Å; L45-L48 PolarHBondContact O-N 3.46Å; L45-G49 PolarHBondContact O-N 3.2Å |
| 46 | L | 97.8 | Very high | 92.8 | Very high | 121 Ų | 121 | 105.9 Ų | 105.9 | 63% | 0.634 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 177.1 | -69.9 | 171.7 | 0 | 0 | 0 | 111.7 | T42 K43 R44 G49 A50 | T42-L46 HydrophobicContact CG2-CD1 4.21Å; T42-L46 WeakPolarHBondContact O-CG 3.45Å; T42-L46 PolarHBondContact O-N 3.14Å; K43-L46 PolarHBondContact O-N 3.02Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.44Å; L46-G49 PolarHBondContact O-N 3.38Å; L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 2.93Å |
| 47 | F | 97.2 | Very high | 90.9 | Very high | 136 Ų | 136 | 104 Ų | 104 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.9 | -42.5 | 177.4 | -79.1 | -67.2 | 0 | 0 | 0 | 112.6 | K43 R44 G49 A50 Q51 | K43-F47 HydrophobicContact CD-CE2 4.37Å; K43-F47 HydrophobicContact CG-CD2 3.8Å; K43-F47 HydrophobicContact CG-CE2 3.6Å; K43-F47 WeakPolarHBondContact O-CD2 3.35Å; K43-F47 PolarHBondContact O-N 2.99Å; R44-F47 PolarHBondContact O-N 3.4Å; F47-G49 VanDerWaalsContact C-N 3.33Å; F47-G49 PolarHBondContact O-N 3.19Å; F47-A50 PolarHBondContact O-N 3.42Å; F47-Q51 WeakPolarHBondContact O-CB 3.27Å; F47-Q51 PolarHBondContact O-N 2.9Å |
| 48 | L | 96.6 | Very high | 88.6 | Confident | 84 Ų | 84 | 110.1 Ų | 110.1 | 44% | 0.44 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 175.8 | -73 | 173.1 | 0 | 0 | 0 | 111.8 | R44 L45 Q51 A52 | R44-L48 HydrophobicContact CG-CD1 3.96Å; R44-L48 HydrophobicContact CG-CG 4.35Å; R44-L48 WeakPolarHBondContact O-CB 3.05Å; R44-L48 VanDerWaalsContact O-CG 3.3Å; R44-L48 WeakPolarHBondContact O-CG 3.15Å; R44-L48 PolarHBondContact O-N 3.46Å; L45-L48 PolarHBondContact O-N 3.46Å; L48-Q51 PolarHBondContact O-N 2.98Å; L48-A52 WeakPolarHBondContact O-CB 3.25Å; L48-A52 PolarHBondContact O-N 3.42Å |
| 49 | G | 94.7 | Very high | 86.3 | Confident | 45 Ų | 45 | 112.8 Ų | 112.8 | 46% | 0.464 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L45 L46 F47 Y53 | L45-G49 PolarHBondContact O-N 3.2Å; L46-G49 PolarHBondContact O-N 3.38Å; F47-G49 VanDerWaalsContact C-N 3.33Å; F47-G49 PolarHBondContact O-N 3.19Å; G49-Y53 PolarHBondContact O-N 3.31Å; G49-Y53 VanDerWaalsContact O-N 3.13Å |
| 50 | A | 94.1 | Very high | 84 | Confident | 53 Ų | 53 | 114.7 Ų | 114.7 | 44% | 0.438 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.6 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L46 F47 Y53 L54 | L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 2.93Å; F47-A50 PolarHBondContact O-N 3.42Å; A50-Y53 PolarHBondContact O-N 3.32Å; A50-L54 WeakPolarHBondContact O-CG 3.5Å; A50-L54 PolarHBondContact O-N 3.18Å; A50-L54 VanDerWaalsContact O-N 3.14Å |
| 51 | Q | 92.1 | Very high | 81.7 | Confident | 108 Ų | 108 | 113.5 Ų | 113.5 | 51% | 0.505 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.6 | -48.7 | 176.2 | -178.3 | 175.2 | 3 | 0 | 0 | 111.6 | F47 L48 Y53 L54 D55 | F47-Q51 WeakPolarHBondContact O-CB 3.27Å; F47-Q51 PolarHBondContact O-N 2.9Å; L48-Q51 PolarHBondContact O-N 2.98Å; Q51-Y53 PolarHBondContact O-N 3.07Å; Q51-L54 PolarHBondContact O-N 3.37Å; Q51-D55 WeakPolarHBondContact CG-OD2 3.39Å; Q51-D55 PolarHBondContact O-N 2.87Å |
| 52 | A | 90.3 | Very high | 79.5 | Confident | 47 Ų | 47 | 113 Ų | 113 | 39% | 0.388 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -56.3 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L48 H56 | L48-A52 WeakPolarHBondContact O-CB 3.25Å; L48-A52 PolarHBondContact O-N 3.42Å; A52-H56 PolarHBondContact O-CD2 3.35Å; A52-H56 PolarHBondContact O-N 2.97Å |
| 53 | Y | 84.6 | Confident | 76.5 | Confident | 163 Ų | 163 | 113.9 Ų | 113.9 | 64% | 0.639 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.2 | -44.1 | 173.9 | 176.7 | -95.5 | 0 | 0 | 0 | 113 | G49 A50 Q51 H56 V57 | G49-Y53 PolarHBondContact O-N 3.31Å; G49-Y53 VanDerWaalsContact O-N 3.13Å; A50-Y53 PolarHBondContact O-N 3.32Å; Q51-Y53 PolarHBondContact O-N 3.07Å; Y53-H56 PolarHBondContact O-N 3.02Å; Y53-V57 HydrophobicContact CE1-CG2 4.23Å; Y53-V57 WeakPolarHBondContact O-CG2 3.35Å; Y53-V57 PolarHBondContact O-N 2.83Å |
| 54 | L | 81.8 | Confident | 74.2 | Confident | 108 Ų | 108 | 116.4 Ų | 116.4 | 57% | 0.565 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.8 | -38.3 | 178.6 | -70.8 | 174.7 | 0 | 0 | 0 | 112.6 | A50 Q51 H56 V57 W58 | A50-L54 WeakPolarHBondContact O-CG 3.5Å; A50-L54 PolarHBondContact O-N 3.18Å; A50-L54 VanDerWaalsContact O-N 3.14Å; Q51-L54 PolarHBondContact O-N 3.37Å; L54-H56 VanDerWaalsContact C-N 3.27Å; L54-H56 PolarHBondContact O-N 3.12Å; L54-V57 PolarHBondContact O-N 3.07Å; L54-W58 PolarHBondContact O-N 3.02Å |
| 55 | D | 73.8 | Confident | 71.8 | Confident | 94 Ų | 94 | 112.5 Ų | 112.5 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.6 | -36.9 | 178.1 | -68.3 | -17.3 | 0 | 0 | 0 | 110.8 | Q51 V57 W58 D59 | Q51-D55 WeakPolarHBondContact CG-OD2 3.39Å; Q51-D55 PolarHBondContact O-N 2.87Å; D55-V57 VanDerWaalsContact C-N 3.33Å; D55-V57 PolarHBondContact O-N 3.34Å; D55-W58 PolarHBondContact O-N 3.44Å; D55-D59 PolarHBondContact O-N 3.45Å |
| 56 | H | 65.6 | Low | 69.1 | Low | 141 Ų | 141 | 115.4 Ų | 115.4 | 65% | 0.653 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.8 | -31.6 | 172.1 | -75.2 | -57.1 | 0 | 0 | 0 | 113.8 | A52 Y53 L54 | A52-H56 PolarHBondContact O-CD2 3.35Å; A52-H56 PolarHBondContact O-N 2.97Å; Y53-H56 PolarHBondContact O-N 3.02Å; L54-H56 VanDerWaalsContact C-N 3.27Å; L54-H56 PolarHBondContact O-N 3.12Å |
| 57 | V | 57.8 | Low | 66.6 | Low | 83 Ų | 83 | 116.7 Ų | 116.7 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -77.9 | -28.2 | 179.5 | 171.6 | 0 | 0 | 0 | 0 | 112 | Y53 L54 D55 | Y53-V57 HydrophobicContact CE1-CG2 4.23Å; Y53-V57 WeakPolarHBondContact O-CG2 3.35Å; Y53-V57 PolarHBondContact O-N 2.83Å; L54-V57 PolarHBondContact O-N 3.07Å; D55-V57 VanDerWaalsContact C-N 3.33Å; D55-V57 PolarHBondContact O-N 3.34Å |
| 58 | W | 48.9 | Very low | 64.1 | Low | 230 Ų | 230 | 115.7 Ų | 115.7 | 87% | 0.871 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -92 | -18.5 | -177.3 | -158.6 | -83.5 | 0 | 0 | 0 | 114.2 | L54 D55 E60 | L54-W58 PolarHBondContact O-N 3.02Å; D55-W58 PolarHBondContact O-N 3.44Å; W58-E60 VanDerWaalsContact C-N 3.31Å |
| 59 | D | 49.7 | Very low | 61.5 | Low | 149 Ų | 149 | 120.7 Ų | 120.7 | 80% | 0.797 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -76.5 | -18.9 | 172.4 | -155.4 | 40.6 | 0 | 0 | 0 | 112.4 | D55 G61 | D55-D59 PolarHBondContact O-N 3.45Å; D59-G61 VanDerWaalsContact C-N 3.28Å; D59-G61 PolarHBondContact O-N 3.03Å |
| 60 | E | 49.4 | Very low | 59.4 | Low | 167 Ų | 167 | 122.8 Ų | 122.8 | 78% | 0.78 | 68% | 0.676 | S | S | * | * | trans | -90 | 49.6 | 174 | -75.9 | -177.4 | 151.3 | 0 | 0 | 112.7 | W58 C62 | W58-E60 VanDerWaalsContact C-N 3.31Å; E60-C62 PolarHBondContact O-N 2.95Å | ||
| 61 | G | 50.6 | Low | 56.9 | Low | 64 Ų | 64 | 125.9 Ų | 125.9 | 66% | 0.66 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -76.4 | 98 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D59 | D59-G61 VanDerWaalsContact C-N 3.28Å; D59-G61 PolarHBondContact O-N 3.03Å |
| 62 | C | 51.2 | Low | 54.3 | Low | 134 Ų | 134 | 129.9 Ų | 129.9 | 91% | 0.905 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 62.7 | 70.7 | 167 | -65.4 | 0 | 0 | 0 | 0 | 117.3 | E60 | E60-C62 PolarHBondContact O-N 2.95Š|
| 63 | A | 36.3 | Very low | 51.9 | Low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | trans | -147.3 | 107.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V65 | A63-V65 PolarHBondContact O-N 3.09Š| ||
| 64 | V | 50.2 | Low | 49.8 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | trans | -58.6 | 128.8 | 157.4 | 163.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 65 | V | 46.4 | Very low | 48 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 61% | 0.606 | 73% | 0.734 | S | S | * | * | trans | 71 | 138.9 | 170.3 | -112.9 | 0 | 0 | 0 | 0 | 118.1 | A63 | A63-V65 PolarHBondContact O-N 3.09Š| ||
| 66 | H | 42.7 | Very low | 46.4 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | cis | -148.4 | 125.4 | 18.9 | -87.3 | -88.4 | 0 | 0 | 0 | 111.3 | ||||
| 67 | L | 43.8 | Very low | 45.4 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | -70.7 | 150.4 | 153.8 | -142.2 | 73.8 | 0 | 0 | 0 | 108.3 | E69 | L67-E69 PolarHBondContact O-N 2.77Š| ||
| 68 | P | 45.4 | Very low | 45.1 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | trans | -58.6 | 134.6 | 170.8 | -10.2 | 25.8 | 0 | 0 | 0 | 107.7 | S70 | P68-S70 PolarHBondContact O-N 3.04Š| ||
| 69 | E | 43 | Very low | 45.1 | Very low | 190 Ų | 190 | 121.4 Ų | 121.4 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | -48 | 99.5 | -175 | -83.3 | 179.2 | 114.4 | 0 | 0 | 111.7 | L67 | L67-E69 PolarHBondContact O-N 2.77Š| ||
| 70 | S | 50.6 | Low | 45.5 | Very low | 89 Ų | 89 | 123.8 Ų | 123.8 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | trans | -68.6 | 138.2 | 157.2 | -173.9 | 0 | 0 | 0 | 0 | 107 | P68 K72 | P68-S70 PolarHBondContact O-N 3.04Å; S70-K72 PolarHBondContact O-N 2.97Å | ||
| 71 | P | 41.5 | Very low | 45.9 | Very low | 118 Ų | 118 | 117.2 Ų | 117.2 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | -54.8 | 129.5 | -178.7 | 3.9 | -3.8 | 0 | 0 | 0 | 109.4 | ||||
| 72 | K | 37.7 | Very low | 46.3 | Very low | 191 Ų | 191 | 116.7 Ų | 116.7 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | trans | -33.1 | 129.6 | -176.5 | -83.4 | 170.4 | 174.6 | 160.5 | 0 | 112.2 | S70 G74 | S70-K72 PolarHBondContact O-N 2.97Å; K72-G74 PolarHBondContact O-N 2.97Å | ||
| 73 | P | 39.2 | Very low | 46.7 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 72% | 0.721 | 70% | 0.698 | S | S | * | * | trans | -63.4 | 112.8 | 164 | 9.2 | 1.7 | 0 | 0 | 0 | 106.8 | T76 | P73-T76 VanDerWaalsContact CB-OG1 3.31Å; P73-T76 WeakPolarHBondContact CB-OG1 3.32Å | ||
| 74 | G | 40.3 | Very low | 48 | Very low | 49 Ų | 49 | 115.9 Ų | 115.9 | 51% | 0.505 | 68% | 0.68 | S | S | . | * | trans | -55.3 | 170.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | K72 T76 | K72-G74 PolarHBondContact O-N 2.97Å; G74-T76 VanDerWaalsContact C-N 3.35Å; G74-T76 WeakPolarHBondContact O-CA 3.47Å; G74-T76 PolarHBondContact O-N 2.87Å; G74-T76 PolarHBondContact O-OG1 2.8Å | ||
| 75 | P | 43.3 | Very low | 49.2 | Very low | 142 Ų | 142 | 114.3 Ų | 114.3 | 92% | 0.922 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -57.7 | 96.2 | -173.1 | 24 | -30.8 | 0 | 0 | 0 | 110.3 | G77 | P75-G77 PolarHBondContact O-N 3.04Š|
| 76 | T | 40.7 | Very low | 50.6 | Low | 116 Ų | 116 | 114 Ų | 114 | 71% | 0.712 | 66% | 0.656 | S | S | * | * | trans | -80.7 | 96.8 | -166.6 | -58.9 | 0 | 0 | 0 | 0 | 108.1 | P73 G74 | P73-T76 VanDerWaalsContact CB-OG1 3.31Å; P73-T76 WeakPolarHBondContact CB-OG1 3.32Å; G74-T76 VanDerWaalsContact C-N 3.35Å; G74-T76 WeakPolarHBondContact O-CA 3.47Å; G74-T76 PolarHBondContact O-N 2.87Å; G74-T76 PolarHBondContact O-OG1 2.8Å | ||
| 77 | G | 45.8 | Very low | 52.5 | Low | 59 Ų | 59 | 110.2 Ų | 110.2 | 61% | 0.608 | 64% | 0.641 | S | S | * | * | trans | -55.9 | 154.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111 | P75 | P75-G77 PolarHBondContact O-N 3.04Š| ||
| 78 | A | 50.5 | Low | 54.4 | Low | 82 Ų | 82 | 109.7 Ų | 109.7 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -40.2 | 148.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R80 | A78-R80 PolarHBondContact O-N 3.46Š|
| 79 | P | 48.9 | Very low | 56.2 | Low | 130 Ų | 130 | 104.6 Ų | 104.6 | 84% | 0.844 | 61% | 0.607 | S | S | * | * | trans | -48.5 | 114.2 | 178.4 | 16.8 | -28.3 | 0 | 0 | 0 | 109.5 | A81 | P79-A81 PolarHBondContact O-N 3.17Š| ||
| 80 | R | 57 | Low | 57.8 | Low | 199 Ų | 199 | 102.4 Ų | 102.4 | 75% | 0.751 | 61% | 0.609 | S | S | * | * | trans | -65.6 | 109 | -177.4 | -75.3 | -178.6 | 173.2 | -176 | -2.4 | 107.4 | A78 A82 | A78-R80 PolarHBondContact O-N 3.46Å; R80-A82 PolarHBondContact O-N 2.87Å | ||
| 81 | A | 58.8 | Low | 59.3 | Low | 28 Ų | 28 | 103.1 Ų | 103.1 | 23% | 0.231 | 61% | 0.605 | C | S | . | * | P | Polyproline II helix | trans | -50.6 | 126.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | P79 Q85 L87 S97 | P79-A81 PolarHBondContact O-N 3.17Å; A81-Q85 HydrophobicContact CB-CB 4.32Å; A81-L87 HydrophobicContact CB-CD2 4.13Å; A81-L87 HydrophobicContact CB-CG 4.44Å; A81-S97 VanDerWaalsContact CB-CB 3.47Å; A81-S97 WeakPolarHBondContact CB-OG 3.37Å |
| 82 | A | 58.9 | Low | 61 | Low | 54 Ų | 54 | 100.1 Ų | 100.1 | 45% | 0.446 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 144.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | R80 G84 Q85 | R80-A82 PolarHBondContact O-N 2.87Å; A82-G84 PolarHBondContact O-N 3.42Å; A82-Q85 HydrophobicContact CB-CG 4.1Å; A82-Q85 VanDerWaalsContact O-CB 3.26Å; A82-Q85 WeakPolarHBondContact O-CB 3.25Å; A82-Q85 WeakPolarHBondContact O-CG 3.45Å; A82-Q85 PolarHBondContact O-N 2.97Å |
| 83 | R | 60.3 | Low | 63.1 | Low | 171 Ų | 171 | 99.8 Ų | 99.8 | 65% | 0.645 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.3 | 128 | 179.4 | -79 | -173.2 | 178.3 | -166.8 | 3.4 | 111.1 | E131 | R83-E131 WeakPolarHBondContact CA-OE2 3.23Å; R83-E131 HydrophobicContact CB-CB 4.16Å |
| 84 | G | 63.6 | Low | 64.9 | Low | 35 Ų | 35 | 99.7 Ų | 99.7 | 36% | 0.361 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 84.7 | 0.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | A82 E131 | A82-G84 PolarHBondContact O-N 3.42Å; G84-E131 VanDerWaalsContact N-CD 3.33Å; G84-E131 PolarHBondContact N-OE2 3.41Å |
| 85 | Q | 74.3 | Confident | 66.5 | Low | 107 Ų | 107 | 101.4 Ų | 101.4 | 50% | 0.5 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -77.1 | 136.6 | 169.3 | -70.7 | -178.4 | -27.1 | 0 | 0 | 110.9 | A81 A82 S97 | A81-Q85 HydrophobicContact CB-CB 4.32Å; A82-Q85 HydrophobicContact CB-CG 4.1Å; A82-Q85 VanDerWaalsContact O-CB 3.26Å; A82-Q85 WeakPolarHBondContact O-CB 3.25Å; A82-Q85 WeakPolarHBondContact O-CG 3.45Å; A82-Q85 PolarHBondContact O-N 2.97Å; Q85-S97 PolarHBondContact O-OG 2.83Å |
| 86 | M | 76.9 | Confident | 67.7 | Low | 93 Ų | 93 | 99.2 Ų | 99.2 | 46% | 0.458 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 137.9 | 171.9 | -57.9 | -176.9 | 83.8 | 0 | 0 | 109.3 | L94 | M86-L94 HydrophobicContact CB-CB 4.21Å; M86-L94 HydrophobicContact CB-CD2 4.29Å; M86-L94 HydrophobicContact CE-CB 3.44Å; M86-L94 VanDerWaalsContact CE-CB 3.44Å; M86-L94 HydrophobicContact CE-CD1 4.19Å; M86-L94 HydrophobicContact CE-CG 4.45Å; M86-L94 HydrophobicContact SD-CB 4.16Å; M86-L94 HydrophobicContact SD-CD1 3.99Å |
| 87 | L | 81.1 | Confident | 68.8 | Low | 88 Ų | 88 | 94.3 Ų | 94.3 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 142.9 | 175.7 | -64.8 | 173 | 0 | 0 | 0 | 109.3 | A81 G89 L94 I95 | A81-L87 HydrophobicContact CB-CD2 4.13Å; A81-L87 HydrophobicContact CB-CG 4.44Å; L87-G89 PolarHBondContact O-N 3.48Å; L87-L94 CarbonylContact O-C 3.49Å; L87-L94 WeakPolarHBondContact O-CA 3.19Å; L87-I95 PolarHBondContact N-O 3.05Å; L87-I95 PolarHBondContact O-N 3.37Å |
| 88 | I | 83.8 | Confident | 69.3 | Low | 136 Ų | 136 | 99.5 Ų | 99.5 | 70% | 0.697 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 117 | 170.9 | -58.7 | 173 | 0 | 0 | 0 | 107.3 | L94 | I88-L94 HydrophobicContact CG1-CD2 3.83Å |
| 89 | G | 84.3 | Confident | 69.5 | Low | 9 Ų | 9 | 98.2 Ų | 98.2 | 9% | 0.093 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 162.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L87 D91 G92 R93 | L87-G89 PolarHBondContact O-N 3.48Å; G89-D91 PolarHBondContact O-N 2.98Å; G89-D91 VanDerWaalsContact O-N 3.11Å; G89-G92 WeakPolarHBondContact O-CA 3.2Å; G89-G92 PolarHBondContact O-N 3.29Å; G89-R93 WeakPolarHBondContact CA-O 3.3Å; G89-R93 PolarHBondContact N-O 3.42Å |
| 90 | P | 76.9 | Confident | 69.2 | Low | 143 Ų | 143 | 100.1 Ų | 100.1 | 93% | 0.929 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.5 | 178.3 | 26.4 | -34.1 | 0 | 0 | 0 | 113.4 | ||
| 91 | D | 81.4 | Confident | 68.6 | Low | 104 Ų | 104 | 94.8 Ų | 94.8 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 5.8 | 173.4 | 65.3 | -21.4 | 0 | 0 | 0 | 113.4 | G89 R93 | G89-D91 PolarHBondContact O-N 2.98Å; G89-D91 VanDerWaalsContact O-N 3.11Å; D91-R93 PolarHBondContact O-N 2.68Å; D91-R93 WeakPolarHBondContact OD1-CB 3.25Å; D91-R93 PolarHBondContact OD1-N 2.98Å; D91-R93 VanDerWaalsContact OD1-N 3.15Å; D91-R93 WeakPolarHBondContact OD2-CD 3.41Å; D91-R93 VanDerWaalsContact OD2-CG 3.23Å; D91-R93 WeakPolarHBondContact OD2-CG 3.29Å; D91-R93 IonicContact OD2-NE 3.66Å |
| 92 | G | 76.4 | Confident | 67.7 | Low | 56 Ų | 56 | 97 Ų | 97 | 58% | 0.577 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 76.2 | 2.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G89 | G89-G92 WeakPolarHBondContact O-CA 3.2Å; G89-G92 PolarHBondContact O-N 3.29Å |
| 93 | R | 82 | Confident | 66.9 | Low | 184 Ų | 184 | 103.7 Ų | 103.7 | 69% | 0.694 | 56% | 0.563 | S | S | * | * | trans | -84.2 | 146.9 | 177.9 | -64.9 | -170.5 | 175.3 | -138.7 | -4 | 111.1 | G89 D91 I95 | G89-R93 WeakPolarHBondContact CA-O 3.3Å; G89-R93 PolarHBondContact N-O 3.42Å; D91-R93 PolarHBondContact O-N 2.68Å; D91-R93 WeakPolarHBondContact OD1-CB 3.25Å; D91-R93 PolarHBondContact OD1-N 2.98Å; D91-R93 VanDerWaalsContact OD1-N 3.15Å; D91-R93 WeakPolarHBondContact OD2-CD 3.41Å; D91-R93 VanDerWaalsContact OD2-CG 3.23Å; D91-R93 WeakPolarHBondContact OD2-CG 3.29Å; D91-R93 IonicContact OD2-NE 3.66Å; R93-I95 PolarHBondContact O-N 3.35Å | ||
| 94 | L | 77.6 | Confident | 65.7 | Low | 108 Ų | 108 | 99.2 Ų | 99.2 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.3 | 112.7 | 174 | -64.7 | 175.5 | 0 | 0 | 0 | 110.1 | M86 L87 I88 | M86-L94 HydrophobicContact CB-CB 4.21Å; M86-L94 HydrophobicContact CB-CD2 4.29Å; M86-L94 HydrophobicContact CE-CB 3.44Å; M86-L94 VanDerWaalsContact CE-CB 3.44Å; M86-L94 HydrophobicContact CE-CD1 4.19Å; M86-L94 HydrophobicContact CE-CG 4.45Å; M86-L94 HydrophobicContact SD-CB 4.16Å; M86-L94 HydrophobicContact SD-CD1 3.99Å; L87-L94 CarbonylContact O-C 3.49Å; L87-L94 WeakPolarHBondContact O-CA 3.19Å; I88-L94 HydrophobicContact CG1-CD2 3.83Å |
| 95 | I | 73.1 | Confident | 64.4 | Low | 86 Ų | 86 | 104.4 Ų | 104.4 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 137.4 | 177.4 | -49.5 | 178 | 0 | 0 | 0 | 108.3 | L87 R93 S97 | L87-I95 PolarHBondContact N-O 3.05Å; L87-I95 PolarHBondContact O-N 3.37Å; R93-I95 PolarHBondContact O-N 3.35Å; I95-S97 PolarHBondContact O-N 2.9Å |
| 96 | R | 68.8 | Low | 63.1 | Low | 96 Ų | 96 | 105.1 Ų | 105.1 | 36% | 0.362 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.6 | 132.2 | 172.7 | -71.6 | -179.9 | -178.9 | -83.1 | -13.3 | 109.3 | L98 S128 Q129 | R96-L98 PolarHBondContact O-N 3.22Å; R96-S128 PolarHBondContact NH1-O 3.45Å; R96-Q129 PolarHBondContact NH1-O 2.85Å |
| 97 | S | 64.1 | Low | 61.6 | Low | 12 Ų | 12 | 106.2 Ų | 106.2 | 8% | 0.084 | 61% | 0.613 | C | S | . | * | trans | -63.9 | 108.5 | 167 | 72.8 | 0 | 0 | 0 | 0 | 107.6 | A81 Q85 I95 G99 | A81-S97 VanDerWaalsContact CB-CB 3.47Å; A81-S97 WeakPolarHBondContact CB-OG 3.37Å; Q85-S97 PolarHBondContact O-OG 2.83Å; I95-S97 PolarHBondContact O-N 2.9Å; S97-G99 PolarHBondContact O-N 2.91Å | ||
| 98 | L | 56.4 | Low | 59.9 | Low | 168 Ų | 168 | 104.8 Ų | 104.8 | 88% | 0.88 | 62% | 0.619 | S | S | * | * | trans | -71 | 93.4 | 170.2 | -151.8 | 83.7 | 0 | 0 | 0 | 104.6 | R96 Q100 | R96-L98 PolarHBondContact O-N 3.22Å; L98-Q100 PolarHBondContact O-N 2.98Å | ||
| 99 | G | 53.9 | Low | 58.3 | Low | 55 Ų | 55 | 105.4 Ų | 105.4 | 57% | 0.567 | 62% | 0.622 | S | S | * | * | trans | -48.5 | 110.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | S97 A101 | S97-G99 PolarHBondContact O-N 2.91Å; G99-A101 PolarHBondContact O-N 2.87Å | ||
| 100 | Q | 44.4 | Very low | 56.9 | Low | 171 Ų | 171 | 110.6 Ų | 110.6 | 80% | 0.799 | 65% | 0.652 | S | S | * | * | trans | -55.8 | 111.7 | 174.2 | -80.4 | -178.7 | -29.3 | 0 | 0 | 106.2 | L98 S102 | L98-Q100 PolarHBondContact O-N 2.98Å; Q100-S102 PolarHBondContact O-N 3.35Å | ||
| 101 | A | 43.4 | Very low | 56.3 | Low | 87 Ų | 87 | 106.7 Ų | 106.7 | 72% | 0.719 | 63% | 0.628 | S | S | * | * | trans | -60.9 | 96.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | G99 E103 | G99-A101 PolarHBondContact O-N 2.87Å; A101-E103 PolarHBondContact O-N 3.46Å | ||
| 102 | S | 39.4 | Very low | 56 | Low | 74 Ų | 74 | 105.9 Ų | 105.9 | 52% | 0.517 | 62% | 0.623 | S | S | . | * | trans | -63 | 112.3 | 162 | 65.7 | 0 | 0 | 0 | 0 | 105.2 | Q100 A104 | Q100-S102 PolarHBondContact O-N 3.35Å; S102-A104 PolarHBondContact O-N 2.7Å | ||
| 103 | E | 42.2 | Very low | 56.5 | Low | 194 Ų | 194 | 105.5 Ų | 105.5 | 91% | 0.907 | 61% | 0.614 | S | S | * | * | trans | -52.3 | 87.7 | 155.7 | -71.1 | -72.6 | 128.8 | 0 | 0 | 107.1 | A101 | A101-E103 PolarHBondContact O-N 3.46Š| ||
| 104 | A | 36.6 | Very low | 56.7 | Low | 77 Ų | 77 | 96.8 Ų | 96.8 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | trans | -125.1 | 96.7 | 170 | 0 | 0 | 0 | 0 | 0 | 105.5 | S102 | S102-A104 PolarHBondContact O-N 2.7Š| ||
| 105 | D | 35.2 | Very low | 57.1 | Low | 144 Ų | 144 | 94.4 Ų | 94.4 | 77% | 0.77 | 57% | 0.574 | S | S | * | * | trans | 42.2 | 124.6 | 152.3 | -130.4 | 6.8 | 0 | 0 | 0 | 119 | S107 | D105-S107 VanDerWaalsContact C-N 3.31Å; D105-S107 PolarHBondContact O-N 2.82Å | ||
| 106 | P | 46.6 | Very low | 57.8 | Low | 123 Ų | 123 | 92.3 Ų | 92.3 | 80% | 0.799 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 19.8 | -165.8 | 34.6 | -36 | 0 | 0 | 0 | 116.3 | ||
| 107 | S | 45.4 | Very low | 58.7 | Low | 116 Ų | 116 | 90.1 Ų | 90.1 | 81% | 0.811 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 15.9 | -164.8 | -71.2 | 0 | 0 | 0 | 0 | 117.3 | D105 | D105-S107 VanDerWaalsContact C-N 3.31Å; D105-S107 PolarHBondContact O-N 2.82Å |
| 108 | G | 45.7 | Very low | 59.8 | Low | 58 Ų | 58 | 95.1 Ų | 95.1 | 60% | 0.598 | 60% | 0.595 | S | S | * | * | trans | -136.4 | 93.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V110 | G108-V110 PolarHBondContact O-N 2.93Š| ||
| 109 | I | 51.5 | Low | 61.2 | Low | 149 Ų | 149 | 94.7 Ų | 94.7 | 76% | 0.764 | 58% | 0.582 | S | S | * | * | trans | -68.6 | 81.2 | 165.9 | -56.2 | 174.3 | 0 | 0 | 0 | 106.8 | S111 | I109-S111 PolarHBondContact O-N 3.25Š| ||
| 110 | V | 55 | Low | 62.4 | Low | 118 Ų | 118 | 95.5 Ų | 95.5 | 72% | 0.715 | 58% | 0.584 | S | S | * | * | trans | -68.3 | 103.6 | 164.7 | -178.5 | 0 | 0 | 0 | 0 | 104.9 | G108 I112 | G108-V110 PolarHBondContact O-N 2.93Å; V110-I112 PolarHBondContact O-N 2.92Å | ||
| 111 | S | 62.8 | Low | 63.8 | Low | 60 Ų | 60 | 88.1 Ų | 88.1 | 42% | 0.42 | 55% | 0.55 | S | S | . | . | trans | -56.8 | 109 | 174.8 | 152.5 | 0 | 0 | 0 | 0 | 108.7 | I109 A120 | I109-S111 PolarHBondContact O-N 3.25Å; S111-A120 WeakPolarHBondContact OG-CB 3.44Å | ||
| 112 | I | 76.1 | Confident | 64.9 | Low | 88 Ų | 88 | 90.7 Ų | 90.7 | 45% | 0.451 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85 | 130.3 | 174.1 | -62.1 | 170.8 | 0 | 0 | 0 | 107.5 | V110 V121 A133 | V110-I112 PolarHBondContact O-N 2.92Å; I112-V121 WeakPolarHBondContact O-CB 3.34Å; I112-V121 PolarHBondContact O-N 2.88Å; I112-A133 HydrophobicContact CB-CB 4.49Å; I112-A133 HydrophobicContact CG2-CB 3.62Å |
| 113 | A | 85.7 | Confident | 66 | Low | 47 Ų | 47 | 89.7 Ų | 89.7 | 39% | 0.388 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.8 | 140.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S115 | A113-S115 PolarHBondContact O-N 3.5Å |
| 114 | C | 87.8 | Confident | 67.2 | Low | 1 Ų | 1 | 90.4 Ų | 90.4 | 1% | 0.007 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -61.3 | 127 | 174 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | S116 C117 V118 R119 V121 C135 C138 | C114-S116 PolarHBondContact O-N 3.44Å; C114-S116 PolarHBondContact SG-N 3.47Å; C114-C117 WeakPolarHBondContact CB-SG 3.26Å; C114-C117 PolarHBondContact SG-SG 2.91Å; C114-V118 WeakPolarHBondContact O-CA 3.5Å; C114-V118 PolarHBondContact O-N 3.3Å; C114-R119 WeakPolarHBondContact CB-O 3.25Å; C114-R119 PolarHBondContact N-O 3.04Å; C114-V121 HydrophobicContact CB-CG2 3.46Å; C114-V121 VanDerWaalsContact CB-CG2 3.46Å; C114-C135 HydrophobicContact CB-CB 4.21Å; C114-C135 PolarHBondContact SG-N 3.35Å; C114-C135 VanDerWaalsContact SG-N 3.37Å; C114-C138 VanDerWaalsContact SG-SG 3.65Å |
| 115 | S | 86.3 | Confident | 69.3 | Low | 59 Ų | 59 | 88.3 Ų | 88.3 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -13 | -179.5 | -61.9 | 0 | 0 | 0 | 0 | 114.1 | A113 R132 A133 | A113-S115 PolarHBondContact O-N 3.5Å; S115-R132 WeakPolarHBondContact OG-CB 3.42Å; S115-A133 PolarHBondContact N-O 2.88Å; S115-A133 PolarHBondContact OG-O 3.11Å |
| 116 | S | 85.9 | Confident | 71.9 | Confident | 42 Ų | 42 | 84.3 Ų | 84.3 | 29% | 0.294 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -42.3 | 175.8 | -68.9 | 0 | 0 | 0 | 0 | 113.1 | C114 T151 | C114-S116 PolarHBondContact O-N 3.44Å; C114-S116 PolarHBondContact SG-N 3.47Å; S116-T151 PolarHBondContact OG-OG1 3Å; S116-T151 VanDerWaalsContact OG-OG1 3.13Å |
| 117 | C | 88.6 | Confident | 74 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 34% | 0.338 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 0.8 | -174.2 | 70.7 | 0 | 0 | 0 | 0 | 114.6 | C114 R119 C138 | C114-C117 WeakPolarHBondContact CB-SG 3.26Å; C114-C117 PolarHBondContact SG-SG 2.91Å; C117-R119 PolarHBondContact O-N 2.79Å; C117-C138 VanDerWaalsContact SG-SG 3.69Å |
| 118 | V | 87.4 | Confident | 76.1 | Confident | 117 Ų | 117 | 75.1 Ų | 75.1 | 71% | 0.709 | 46% | 0.455 | S | S | * | . | trans | 61.9 | -1.3 | 176.4 | -163.2 | 0 | 0 | 0 | 0 | 114.6 | C114 | C114-V118 WeakPolarHBondContact O-CA 3.5Å; C114-V118 PolarHBondContact O-N 3.3Å | ||
| 119 | R | 85.1 | Confident | 78 | Confident | 158 Ų | 158 | 73.8 Ų | 73.8 | 60% | 0.596 | 43% | 0.433 | S | S | * | . | trans | -67.8 | 140.7 | 174.1 | -63.6 | 178.2 | 63.5 | 172.6 | 0.3 | 110.4 | C114 C117 V121 | C114-R119 WeakPolarHBondContact CB-O 3.25Å; C114-R119 PolarHBondContact N-O 3.04Å; C117-R119 PolarHBondContact O-N 2.79Å; R119-V121 VanDerWaalsContact O-CG2 3.27Å; R119-V121 WeakPolarHBondContact O-CG2 3.45Å; R119-V121 PolarHBondContact O-N 2.86Å | ||
| 120 | A | 79.9 | Confident | 79.8 | Confident | 73 Ų | 73 | 67.6 Ų | 67.6 | 60% | 0.603 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -47 | 133.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S111 | S111-A120 WeakPolarHBondContact OG-CB 3.44Å |
| 121 | V | 72.9 | Confident | 81.3 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121 | -179.9 | -168.3 | 0 | 0 | 0 | 0 | 109.7 | I112 C114 R119 G123 C135 | I112-V121 WeakPolarHBondContact O-CB 3.34Å; I112-V121 PolarHBondContact O-N 2.88Å; C114-V121 HydrophobicContact CB-CG2 3.46Å; C114-V121 VanDerWaalsContact CB-CG2 3.46Å; R119-V121 VanDerWaalsContact O-CG2 3.27Å; R119-V121 WeakPolarHBondContact O-CG2 3.45Å; R119-V121 PolarHBondContact O-N 2.86Å; V121-G123 PolarHBondContact O-N 3Å; V121-C135 HydrophobicContact CB-CB 4.47Å; V121-C135 HydrophobicContact CG1-CB 3.96Å; V121-C135 HydrophobicContact CG2-CB 3.69Å |
| 122 | D | 66.6 | Low | 82.4 | Confident | 141 Ų | 141 | 66.6 Ų | 66.6 | 75% | 0.754 | 38% | 0.378 | S | S | * | . | trans | -86.6 | 87.4 | 161.2 | -60.8 | -44.4 | 0 | 0 | 0 | 107.5 | ||||
| 123 | G | 63.4 | Low | 83 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 55% | 0.546 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 163 | 156.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | V121 | V121-G123 PolarHBondContact O-N 3Š|
| 124 | K | 65.8 | Low | 83.2 | Confident | 210 Ų | 210 | 60.7 Ų | 60.7 | 91% | 0.913 | 34% | 0.342 | S | S | * | . | trans | -90.7 | 11.8 | -167.3 | -87.2 | 176.2 | 178 | -89.4 | 0 | 115.9 | V126 | K124-V126 PolarHBondContact O-N 3.22Š| ||
| 125 | A | 82.7 | Confident | 83.2 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | trans | -79.5 | 123.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A133 L134 V139 | A125-A133 WeakPolarHBondContact O-CA 3.48Å; A125-L134 PolarHBondContact O-N 3.15Å; A125-V139 HydrophobicContact CB-CG2 3.49Å; A125-V139 VanDerWaalsContact CB-CG2 3.49Å | ||
| 126 | V | 89.4 | Confident | 83.2 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -126.1 | 134.7 | -177.2 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | K124 S128 E131 R132 | K124-V126 PolarHBondContact O-N 3.22Å; V126-S128 PolarHBondContact O-N 2.98Å; V126-E131 VanDerWaalsContact CG1-CA 3.42Å; V126-E131 HydrophobicContact CG1-CB 4.21Å; V126-E131 VanDerWaalsContact CG1-O 3.3Å; V126-E131 WeakPolarHBondContact CG1-O 3.5Å; V126-R132 WeakPolarHBondContact CA-O 3.32Å |
| 127 | C | 90.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 39% | 0.389 | C | S | . | . | trans | -62.5 | 126.1 | 174 | -179 | 0 | 0 | 0 | 0 | 110.5 | Q129 C130 E131 R132 L134 C150 | C127-Q129 PolarHBondContact O-N 2.96Å; C127-Q129 VanDerWaalsContact O-N 3.12Å; C127-Q129 PolarHBondContact SG-N 3.42Å; C127-Q129 VanDerWaalsContact SG-N 3.45Å; C127-C130 VanDerWaalsContact SG-SG 3.65Å; C127-E131 WeakPolarHBondContact O-CA 3.16Å; C127-E131 PolarHBondContact O-N 2.93Å; C127-R132 PolarHBondContact N-O 3.35Å; C127-L134 HydrophobicContact CB-CD1 4.17Å; C127-C150 HydrophobicContact CB-CB 4.06Å; C127-C150 PolarHBondContact SG-N 2.93Å | ||
| 128 | S | 88.8 | Confident | 83.2 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -21.6 | 177.6 | 62.9 | 0 | 0 | 0 | 0 | 113.4 | R96 V126 S147 V148 | R96-S128 PolarHBondContact NH1-O 3.45Å; V126-S128 PolarHBondContact O-N 2.98Å; S128-S147 PolarHBondContact OG-OG 2.76Å; S128-V148 PolarHBondContact N-O 3.04Å; S128-V148 PolarHBondContact OG-O 3.13Å |
| 129 | Q | 86.7 | Confident | 83.3 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -49.4 | -174.4 | -65.5 | -68.9 | -3.8 | 0 | 0 | 113.3 | R96 C127 C153 C167 S169 | R96-Q129 PolarHBondContact NH1-O 2.85Å; C127-Q129 PolarHBondContact O-N 2.96Å; C127-Q129 VanDerWaalsContact O-N 3.12Å; C127-Q129 PolarHBondContact SG-N 3.42Å; C127-Q129 VanDerWaalsContact SG-N 3.45Å; Q129-C153 HydrophobicContact CB-CB 3.65Å; Q129-C153 HydrophobicContact CG-CB 4.01Å; Q129-C167 HydrophobicContact CG-CB 4.49Å; Q129-S169 PolarHBondContact NE2-OG 3.21Å |
| 130 | C | 87.7 | Confident | 83.7 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 2.5 | -175.6 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | C127 R132 C150 C153 | C127-C130 VanDerWaalsContact SG-SG 3.65Å; C130-R132 HydrophobicContact CB-CG 4.47Å; C130-R132 PolarHBondContact O-N 2.75Å; C130-C150 VanDerWaalsContact SG-SG 3.66Å; C130-C153 VanDerWaalsContact SG-SG 3.63Å |
| 131 | E | 87.7 | Confident | 84.3 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | trans | 59.1 | 16.7 | 174.6 | -63.1 | 166.7 | -151 | 0 | 0 | 115.4 | R83 G84 V126 C127 | R83-E131 WeakPolarHBondContact CA-OE2 3.23Å; R83-E131 HydrophobicContact CB-CB 4.16Å; G84-E131 VanDerWaalsContact N-CD 3.33Å; G84-E131 PolarHBondContact N-OE2 3.41Å; V126-E131 VanDerWaalsContact CG1-CA 3.42Å; V126-E131 HydrophobicContact CG1-CB 4.21Å; V126-E131 VanDerWaalsContact CG1-O 3.3Å; V126-E131 WeakPolarHBondContact CG1-O 3.5Å; C127-E131 WeakPolarHBondContact O-CA 3.16Å; C127-E131 PolarHBondContact O-N 2.93Å | ||
| 132 | R | 86.4 | Confident | 85.3 | Confident | 128 Ų | 128 | 61.8 Ų | 61.8 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | trans | -81 | 141.3 | 177.1 | -73.3 | -168.8 | -172.7 | 100.5 | -1.6 | 111.4 | S115 V126 C127 C130 | S115-R132 WeakPolarHBondContact OG-CB 3.42Å; V126-R132 WeakPolarHBondContact CA-O 3.32Å; C127-R132 PolarHBondContact N-O 3.35Å; C130-R132 HydrophobicContact CB-CG 4.47Å; C130-R132 PolarHBondContact O-N 2.75Å | ||
| 133 | A | 88.1 | Confident | 86.5 | Confident | 9 Ų | 9 | 63 Ų | 63 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 140 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I112 S115 A125 | I112-A133 HydrophobicContact CB-CB 4.49Å; I112-A133 HydrophobicContact CG2-CB 3.62Å; S115-A133 PolarHBondContact N-O 2.88Å; S115-A133 PolarHBondContact OG-O 3.11Å; A125-A133 WeakPolarHBondContact O-CA 3.48Å |
| 134 | L | 88.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | trans | -131.8 | 143.1 | -176.5 | -59.5 | 172.2 | 0 | 0 | 0 | 111 | A125 C127 C138 V139 V148 C150 | A125-L134 PolarHBondContact O-N 3.15Å; C127-L134 HydrophobicContact CB-CD1 4.17Å; L134-C138 HydrophobicContact CB-CB 4.45Å; L134-C138 HydrophobicContact CD2-CB 4.24Å; L134-V139 HydrophobicContact CB-CG2 3.84Å; L134-V139 HydrophobicContact CD1-CG2 4.31Å; L134-V148 HydrophobicContact CD1-CG1 4.16Å; L134-C150 HydrophobicContact CD1-CB 3.69Å; L134-C150 HydrophobicContact CD2-CB 3.61Å; L134-C150 HydrophobicContact CG-CB 4.21Å | ||
| 135 | C | 89.3 | Confident | 89 | Confident | 20 Ų | 20 | 56.4 Ų | 56.4 | 14% | 0.135 | 31% | 0.309 | C | S | . | . | trans | -77.6 | 160.2 | 165 | 74.2 | 0 | 0 | 0 | 0 | 110.7 | C114 V121 R137 C138 V139 | C114-C135 HydrophobicContact CB-CB 4.21Å; C114-C135 PolarHBondContact SG-N 3.35Å; C114-C135 VanDerWaalsContact SG-N 3.37Å; V121-C135 HydrophobicContact CB-CB 4.47Å; V121-C135 HydrophobicContact CG1-CB 3.96Å; V121-C135 HydrophobicContact CG2-CB 3.69Å; C135-R137 PolarHBondContact O-N 2.92Å; C135-C138 PolarHBondContact O-N 2.93Å; C135-V139 WeakPolarHBondContact O-CG2 3.37Å; C135-V139 PolarHBondContact O-N 3.48Å; C135-V139 VanDerWaalsContact O-N 3.14Å | ||
| 136 | G | 85.2 | Confident | 89.4 | Confident | 73 Ų | 73 | 57.1 Ų | 57.1 | 75% | 0.753 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -24.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 137 | R | 86.9 | Confident | 89.5 | Confident | 215 Ų | 215 | 55.7 Ų | 55.7 | 81% | 0.811 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -21.2 | 174.9 | -62.9 | -174.8 | -177.1 | -169.5 | -0.7 | 114 | C135 | C135-R137 PolarHBondContact O-N 2.92Š|
| 138 | C | 88.8 | Confident | 89.6 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 10% | 0.101 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -5.6 | -178.6 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | C114 C117 L134 C135 | C114-C138 VanDerWaalsContact SG-SG 3.65Å; C117-C138 VanDerWaalsContact SG-SG 3.69Å; L134-C138 HydrophobicContact CB-CB 4.45Å; L134-C138 HydrophobicContact CD2-CB 4.24Å; C135-C138 PolarHBondContact O-N 2.93Å |
| 139 | V | 89.5 | Confident | 89.8 | Confident | 41 Ų | 41 | 55.6 Ų | 55.6 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | trans | -72.3 | 129.2 | 170.7 | 169.2 | 0 | 0 | 0 | 0 | 108.9 | A125 L134 C135 V148 | A125-V139 HydrophobicContact CB-CG2 3.49Å; A125-V139 VanDerWaalsContact CB-CG2 3.49Å; L134-V139 HydrophobicContact CB-CG2 3.84Å; L134-V139 HydrophobicContact CD1-CG2 4.31Å; C135-V139 WeakPolarHBondContact O-CG2 3.37Å; C135-V139 PolarHBondContact O-N 3.48Å; C135-V139 VanDerWaalsContact O-N 3.14Å; V139-V148 HydrophobicContact CG1-CG1 3.9Å; V139-V148 HydrophobicContact CG1-CG2 4.15Å; V139-V148 HydrophobicContact CG2-CG1 4.29Å | ||
| 140 | R | 91.4 | Very high | 90 | Very high | 87 Ų | 87 | 54.3 Ų | 54.3 | 33% | 0.328 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 151 | 165.6 | -57.6 | 179.5 | 176.4 | -107.2 | 2.2 | 108.8 | V148 A149 V156 V165 | R140-V148 CarbonylContact O-C 3.52Å; R140-V148 WeakPolarHBondContact O-CA 3.31Å; R140-A149 WeakPolarHBondContact CB-O 3.41Å; R140-A149 PolarHBondContact N-O 3.43Å; R140-A149 PolarHBondContact O-N 3.46Å; R140-V156 VanDerWaalsContact NH1-CG2 3.34Å; R140-V165 HydrophobicContact CB-CB 4.47Å; R140-V165 HydrophobicContact CB-CG1 3.89Å; R140-V165 HydrophobicContact CB-CG2 4.36Å |
| 141 | T | 93.3 | Very high | 90 | Very high | 86 Ų | 86 | 56.4 Ų | 56.4 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.3 | 177.4 | -55.1 | 0 | 0 | 0 | 0 | 108.8 | W143 G146 | T141-W143 PolarHBondContact O-N 3.21Å; T141-G146 WeakPolarHBondContact CG2-O 3.29Å |
| 142 | C | 93.1 | Very high | 90 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | trans | -63.7 | 127.6 | 173 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | G144 G146 S147 V165 C167 | C142-G144 PolarHBondContact SG-N 2.97Å; C142-G146 WeakPolarHBondContact O-CA 3.37Å; C142-G146 PolarHBondContact O-N 3.05Å; C142-S147 WeakPolarHBondContact CB-O 3.34Å; C142-S147 PolarHBondContact N-O 3.38Å; C142-V165 CarbonylContact C-O 3.49Å; C142-V165 WeakPolarHBondContact CA-O 3.43Å; C142-C167 HydrophobicContact CB-CB 4.05Å; C142-C167 PolarHBondContact SG-N 3.48Å | ||
| 143 | W | 92.1 | Very high | 90.2 | Very high | 168 Ų | 168 | 56.2 Ų | 56.2 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -41.9 | 175.5 | -177.1 | -95.9 | 0 | 0 | 0 | 111.9 | T141 K164 V165 L166 | T141-W143 PolarHBondContact O-N 3.21Å; W143-K164 HydrophobicContact CG-CD 4.49Å; W143-V165 PolarHBondContact N-O 3.34Å; W143-L166 HydrophobicContact CB-CD2 4.24Å |
| 144 | G | 89.8 | Confident | 90.3 | Very high | 52 Ų | 52 | 56.3 Ų | 56.3 | 54% | 0.536 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -38.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | C142 | C142-G144 PolarHBondContact SG-N 2.97Š|
| 145 | C | 92.1 | Very high | 90.3 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 48% | 0.48 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 1.7 | -173.3 | 69.2 | 0 | 0 | 0 | 0 | 115.1 | S147 C167 | C145-S147 PolarHBondContact O-N 3.25Å; C145-S147 PolarHBondContact SG-OG 2.94Å; C145-C167 VanDerWaalsContact SG-SG 3.67Å |
| 146 | G | 91.4 | Very high | 90.3 | Very high | 48 Ų | 48 | 62.5 Ų | 62.5 | 50% | 0.495 | 36% | 0.361 | S | S | . | . | trans | 67.2 | -0.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T141 C142 | T141-G146 WeakPolarHBondContact CG2-O 3.29Å; C142-G146 WeakPolarHBondContact O-CA 3.37Å; C142-G146 PolarHBondContact O-N 3.05Å | ||
| 147 | S | 92.3 | Very high | 90.3 | Very high | 30 Ų | 30 | 60.9 Ų | 60.9 | 21% | 0.21 | 34% | 0.335 | C | S | . | . | trans | -73.5 | 148.4 | -176.5 | 76.7 | 0 | 0 | 0 | 0 | 112.6 | S128 C142 C145 A149 | S128-S147 PolarHBondContact OG-OG 2.76Å; C142-S147 WeakPolarHBondContact CB-O 3.34Å; C142-S147 PolarHBondContact N-O 3.38Å; C145-S147 PolarHBondContact O-N 3.25Å; C145-S147 PolarHBondContact SG-OG 2.94Å; S147-A149 PolarHBondContact O-N 3.4Å | ||
| 148 | V | 92.3 | Very high | 90 | Very high | 43 Ų | 43 | 54.9 Ų | 54.9 | 26% | 0.261 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 122.1 | 176.5 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | S128 L134 V139 R140 | S128-V148 PolarHBondContact N-O 3.04Å; S128-V148 PolarHBondContact OG-O 3.13Å; L134-V148 HydrophobicContact CD1-CG1 4.16Å; V139-V148 HydrophobicContact CG1-CG1 3.9Å; V139-V148 HydrophobicContact CG1-CG2 4.15Å; V139-V148 HydrophobicContact CG2-CG1 4.29Å; R140-V148 CarbonylContact O-C 3.52Å; R140-V148 WeakPolarHBondContact O-CA 3.31Å |
| 149 | A | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 142.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R140 S147 | R140-A149 WeakPolarHBondContact CB-O 3.41Å; R140-A149 PolarHBondContact N-O 3.43Å; R140-A149 PolarHBondContact O-N 3.46Å; S147-A149 PolarHBondContact O-N 3.4Å |
| 150 | C | 91.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.027 | 36% | 0.358 | C | S | . | . | trans | -78.1 | 170.2 | 165.6 | 71.5 | 0 | 0 | 0 | 0 | 110.2 | C127 C130 L134 L152 C153 G154 | C127-C150 HydrophobicContact CB-CB 4.06Å; C127-C150 PolarHBondContact SG-N 2.93Å; C130-C150 VanDerWaalsContact SG-SG 3.66Å; L134-C150 HydrophobicContact CD1-CB 3.69Å; L134-C150 HydrophobicContact CD2-CB 3.61Å; L134-C150 HydrophobicContact CG-CB 4.21Å; C150-L152 PolarHBondContact O-N 3.41Å; C150-L152 VanDerWaalsContact O-N 3.1Å; C150-L152 PolarHBondContact SG-N 3.01Å; C150-L152 VanDerWaalsContact SG-N 3.43Å; C150-C153 PolarHBondContact O-N 2.91Å; C150-C153 VanDerWaalsContact O-N 3.09Å; C150-C153 PolarHBondContact SG-N 2.67Å; C150-G154 PolarHBondContact O-N 3.31Å | ||
| 151 | T | 87.4 | Confident | 87.3 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.7 | 175.2 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | S116 | S116-T151 PolarHBondContact OG-OG1 3Å; S116-T151 VanDerWaalsContact OG-OG1 3.13Å |
| 152 | L | 88 | Confident | 86.4 | Confident | 136 Ų | 136 | 67 Ų | 67 | 71% | 0.712 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -24.7 | 178.7 | -61 | 175 | 0 | 0 | 0 | 113.1 | C150 | C150-L152 PolarHBondContact O-N 3.41Å; C150-L152 VanDerWaalsContact O-N 3.1Å; C150-L152 PolarHBondContact SG-N 3.01Å; C150-L152 VanDerWaalsContact SG-N 3.43Å |
| 153 | C | 90.9 | Very high | 85.9 | Confident | 17 Ų | 17 | 74.3 Ų | 74.3 | 12% | 0.115 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -3.5 | -177.7 | -63.3 | 0 | 0 | 0 | 0 | 112.9 | Q129 C130 C150 C167 T168 | Q129-C153 HydrophobicContact CB-CB 3.65Å; Q129-C153 HydrophobicContact CG-CB 4.01Å; C130-C153 VanDerWaalsContact SG-SG 3.63Å; C150-C153 PolarHBondContact O-N 2.91Å; C150-C153 VanDerWaalsContact O-N 3.09Å; C150-C153 PolarHBondContact SG-N 2.67Å; C153-C167 WeakPolarHBondContact O-CA 3.49Å; C153-T168 PolarHBondContact O-N 2.89Å; C153-T168 VanDerWaalsContact O-N 3.14Å |
| 154 | G | 89.8 | Confident | 85.7 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 12% | 0.124 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | C150 L166 | C150-G154 PolarHBondContact O-N 3.31Å; G154-L166 CarbonylContact C-O 3.54Å; G154-L166 VanDerWaalsContact CA-O 3.29Å; G154-L166 WeakPolarHBondContact CA-O 3.49Å |
| 155 | L | 89.5 | Confident | 85.8 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 53% | 0.534 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.3 | 168.9 | -174.1 | 66.1 | 0 | 0 | 0 | 108.5 | V165 L166 A171 | L155-V165 CarbonylContact O-C 3.55Å; L155-V165 WeakPolarHBondContact O-CA 3.44Å; L155-L166 PolarHBondContact N-O 2.96Å; L155-L166 PolarHBondContact O-N 3.45Å; L155-A171 HydrophobicContact CD2-CB 4.02Å |
| 156 | V | 89 | Confident | 85.9 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 30% | 0.297 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118.3 | 170.3 | -175.7 | 0 | 0 | 0 | 0 | 107.1 | R140 E163 K164 V165 | R140-V156 VanDerWaalsContact NH1-CG2 3.34Å; V156-E163 HydrophobicContact CG1-CB 4.26Å; V156-K164 CarbonylContact C-O 3.53Å; V156-K164 WeakPolarHBondContact CA-O 3.45Å; V156-V165 HydrophobicContact CG2-CG2 4.38Å |
| 157 | D | 85.2 | Confident | 85.9 | Confident | 40 Ų | 40 | 60.9 Ų | 60.9 | 21% | 0.214 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 123.9 | 168.7 | -176.5 | 19.6 | 0 | 0 | 0 | 109.5 | S159 K164 L166 | D157-S159 VanDerWaalsContact CG-OG 3.24Å; D157-S159 WeakPolarHBondContact OD1-CB 3.19Å; D157-S159 PolarHBondContact OD1-N 3.22Å; D157-S159 PolarHBondContact OD1-OG 3.47Å; D157-S159 VanDerWaalsContact OD1-OG 3.05Å; D157-S159 PolarHBondContact OD2-OG 3.22Å; D157-K164 HydrophobicContact CB-CB 4.49Å; D157-K164 PolarHBondContact N-O 3.14Å; D157-K164 PolarHBondContact O-N 3.35Å; D157-L166 HydrophobicContact CB-CD1 4.47Å |
| 158 | C | 80.3 | Confident | 85.6 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 60% | 0.595 | 34% | 0.342 | S | S | * | . | trans | -110.6 | 13.6 | 179.3 | -56.2 | 0 | 0 | 0 | 0 | 112 | D160 | C158-D160 VanDerWaalsContact C-N 3.3Å; C158-D160 PolarHBondContact O-N 3.43Å | ||
| 159 | S | 75.2 | Confident | 85.4 | Confident | 89 Ų | 89 | 63.3 Ų | 63.3 | 62% | 0.622 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -68.4 | -28.7 | -177.7 | 69.3 | 0 | 0 | 0 | 0 | 113.3 | D157 | D157-S159 VanDerWaalsContact CG-OG 3.24Å; D157-S159 WeakPolarHBondContact OD1-CB 3.19Å; D157-S159 PolarHBondContact OD1-N 3.22Å; D157-S159 PolarHBondContact OD1-OG 3.47Å; D157-S159 VanDerWaalsContact OD1-OG 3.05Å; D157-S159 PolarHBondContact OD2-OG 3.22Å |
| 160 | D | 69.7 | Low | 85.2 | Confident | 77 Ų | 77 | 64.4 Ų | 64.4 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -98.8 | 168.9 | -179.6 | -87.8 | -31.4 | 0 | 0 | 0 | 113 | C158 Y162 K164 | C158-D160 VanDerWaalsContact C-N 3.3Å; C158-D160 PolarHBondContact O-N 3.43Å; D160-Y162 HydrophobicContact CB-CD1 4.32Å; D160-Y162 HydrophobicContact CB-CE1 4.19Å; D160-Y162 PolarHBondContact O-N 2.87Å; D160-K164 WeakPolarHBondContact OD2-CE 3.42Å; D160-K164 IonicContact OD2-NZ 2.63Å; D160-K164 PolarHBondContact OD2-NZ 3.19Å |
| 161 | M | 68.7 | Low | 85 | Confident | 198 Ų | 198 | 65.4 Ų | 65.4 | 98% | 0.975 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -57.8 | -7.2 | 173.6 | -72.3 | -74.8 | 152.4 | 0 | 0 | 114.5 | ||
| 162 | Y | 73.6 | Confident | 84.9 | Confident | 120 Ų | 120 | 69.3 Ų | 69.3 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -139.2 | 135.6 | -179.8 | 49.5 | -77.3 | 0 | 0 | 0 | 110.6 | D160 K164 | D160-Y162 HydrophobicContact CB-CD1 4.32Å; D160-Y162 HydrophobicContact CB-CE1 4.19Å; D160-Y162 PolarHBondContact O-N 2.87Å; Y162-K164 HydrophobicContact CD2-CD 4.43Å; Y162-K164 HydrophobicContact CD2-CG 3.88Å; Y162-K164 HydrophobicContact CE2-CD 4.02Å; Y162-K164 HydrophobicContact CE2-CG 3.93Å; Y162-K164 PolarHBondContact O-N 3Å; Y162-K164 VanDerWaalsContact OH-CE 3.25Å; Y162-K164 WeakPolarHBondContact OH-CE 3.3Å; Y162-K164 PolarHBondContact OH-NZ 2.76Å; Y162-K164 VanDerWaalsContact OH-NZ 3.13Å |
| 163 | E | 82.4 | Confident | 84.4 | Confident | 154 Ų | 154 | 71.1 Ų | 71.1 | 72% | 0.72 | 38% | 0.382 | S | S | * | . | trans | -64.8 | 119.3 | 176.9 | -65.8 | -178 | -178.8 | 0 | 0 | 110.2 | V156 | V156-E163 HydrophobicContact CG1-CB 4.26Š| ||
| 164 | K | 89 | Confident | 83.3 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 13% | 0.126 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 147.5 | 174 | -68 | 172.8 | -179.1 | 169.2 | 0 | 109.8 | W143 V156 D157 D160 Y162 | W143-K164 HydrophobicContact CG-CD 4.49Å; V156-K164 CarbonylContact C-O 3.53Å; V156-K164 WeakPolarHBondContact CA-O 3.45Å; D157-K164 HydrophobicContact CB-CB 4.49Å; D157-K164 PolarHBondContact N-O 3.14Å; D157-K164 PolarHBondContact O-N 3.35Å; D160-K164 WeakPolarHBondContact OD2-CE 3.42Å; D160-K164 IonicContact OD2-NZ 2.63Å; D160-K164 PolarHBondContact OD2-NZ 3.19Å; Y162-K164 HydrophobicContact CD2-CD 4.43Å; Y162-K164 HydrophobicContact CD2-CG 3.88Å; Y162-K164 HydrophobicContact CE2-CD 4.02Å; Y162-K164 HydrophobicContact CE2-CG 3.93Å; Y162-K164 PolarHBondContact O-N 3Å; Y162-K164 VanDerWaalsContact OH-CE 3.25Å; Y162-K164 WeakPolarHBondContact OH-CE 3.3Å; Y162-K164 PolarHBondContact OH-NZ 2.76Å; Y162-K164 VanDerWaalsContact OH-NZ 3.13Å |
| 165 | V | 91.6 | Very high | 81.6 | Confident | 23 Ų | 23 | 83.6 Ų | 83.6 | 14% | 0.139 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.5 | 171.5 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | R140 C142 W143 L155 V156 | R140-V165 HydrophobicContact CB-CB 4.47Å; R140-V165 HydrophobicContact CB-CG1 3.89Å; R140-V165 HydrophobicContact CB-CG2 4.36Å; C142-V165 CarbonylContact C-O 3.49Å; C142-V165 WeakPolarHBondContact CA-O 3.43Å; W143-V165 PolarHBondContact N-O 3.34Å; L155-V165 CarbonylContact O-C 3.55Å; L155-V165 WeakPolarHBondContact O-CA 3.44Å; V156-V165 HydrophobicContact CG2-CG2 4.38Å |
| 166 | L | 92.8 | Very high | 81.2 | Confident | 4 Ų | 4 | 82.7 Ų | 82.7 | 2% | 0.021 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.3 | 174.7 | -60.8 | 166.1 | 0 | 0 | 0 | 109.3 | W143 G154 L155 D157 C170 A171 E174 | W143-L166 HydrophobicContact CB-CD2 4.24Å; G154-L166 CarbonylContact C-O 3.54Å; G154-L166 VanDerWaalsContact CA-O 3.29Å; G154-L166 WeakPolarHBondContact CA-O 3.49Å; L155-L166 PolarHBondContact N-O 2.96Å; L155-L166 PolarHBondContact O-N 3.45Å; D157-L166 HydrophobicContact CB-CD1 4.47Å; L166-C170 HydrophobicContact CB-CB 4.48Å; L166-C170 HydrophobicContact CD2-CB 4.31Å; L166-A171 HydrophobicContact CB-CB 4.09Å; L166-A171 HydrophobicContact CD1-CB 4.46Å; L166-E174 HydrophobicContact CD1-CG 4.46Å; L166-E174 WeakPolarHBondContact CD1-OE2 3.5Å; L166-E174 WeakPolarHBondContact CD2-OE1 3.5Å |
| 167 | C | 92.3 | Very high | 80.8 | Confident | 2 Ų | 2 | 84.5 Ų | 84.5 | 1% | 0.014 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 157.6 | 167.4 | 74.2 | 0 | 0 | 0 | 0 | 109.6 | Q129 C142 C145 C153 S169 C170 A171 | Q129-C167 HydrophobicContact CG-CB 4.49Å; C142-C167 HydrophobicContact CB-CB 4.05Å; C142-C167 PolarHBondContact SG-N 3.48Å; C145-C167 VanDerWaalsContact SG-SG 3.67Å; C153-C167 WeakPolarHBondContact O-CA 3.49Å; C167-S169 PolarHBondContact O-N 3.4Å; C167-C170 PolarHBondContact O-N 3.06Å; C167-C170 PolarHBondContact SG-N 3.04Å; C167-C170 VanDerWaalsContact SG-N 3.44Å; C167-C170 VanDerWaalsContact SG-SG 3.64Å; C167-A171 PolarHBondContact O-N 3.46Å |
| 168 | T | 86.9 | Confident | 80.6 | Confident | 68 Ų | 68 | 86.9 Ų | 86.9 | 42% | 0.417 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -49.6 | -34 | 177.9 | 48 | 0 | 0 | 0 | 0 | 113.5 | C153 M172 | C153-T168 PolarHBondContact O-N 2.89Å; C153-T168 VanDerWaalsContact O-N 3.14Å; T168-M172 VanDerWaalsContact O-CG 3.25Å; T168-M172 WeakPolarHBondContact O-CG 3.44Å |
| 169 | S | 86.3 | Confident | 80.6 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.2 | -45.9 | 176.6 | -53 | 0 | 0 | 0 | 0 | 112.9 | Q129 C167 M172 F173 | Q129-S169 PolarHBondContact NE2-OG 3.21Å; C167-S169 PolarHBondContact O-N 3.4Å; S169-M172 PolarHBondContact O-N 3.22Å; S169-F173 WeakPolarHBondContact O-CD2 3.49Å; S169-F173 VanDerWaalsContact O-CE2 3.27Å; S169-F173 WeakPolarHBondContact O-CE2 3.31Å |
| 170 | C | 89.3 | Confident | 80.9 | Confident | 23 Ų | 23 | 86.8 Ų | 86.8 | 16% | 0.155 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.9 | -35.6 | 179.6 | -69.1 | 0 | 0 | 0 | 0 | 112.2 | L166 C167 M172 F173 | L166-C170 HydrophobicContact CB-CB 4.48Å; L166-C170 HydrophobicContact CD2-CB 4.31Å; C167-C170 PolarHBondContact O-N 3.06Å; C167-C170 PolarHBondContact SG-N 3.04Å; C167-C170 VanDerWaalsContact SG-N 3.44Å; C167-C170 VanDerWaalsContact SG-SG 3.64Å; C170-M172 PolarHBondContact O-N 3.21Å; C170-F173 PolarHBondContact O-N 3.26Å |
| 171 | A | 87.7 | Confident | 81.7 | Confident | 24 Ų | 24 | 87.4 Ų | 87.4 | 20% | 0.198 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.5 | -27.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L155 L166 C167 F173 | L155-A171 HydrophobicContact CD2-CB 4.02Å; L166-A171 HydrophobicContact CB-CB 4.09Å; L166-A171 HydrophobicContact CD1-CB 4.46Å; C167-A171 PolarHBondContact O-N 3.46Å; A171-F173 PolarHBondContact O-N 3.43Å |
| 172 | M | 84.4 | Confident | 82.6 | Confident | 144 Ų | 144 | 79.5 Ų | 79.5 | 71% | 0.709 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -13.8 | 177.5 | -66.3 | -67.1 | -64.5 | 0 | 0 | 113.7 | T168 S169 C170 | T168-M172 VanDerWaalsContact O-CG 3.25Å; T168-M172 WeakPolarHBondContact O-CG 3.44Å; S169-M172 PolarHBondContact O-N 3.22Å; C170-M172 PolarHBondContact O-N 3.21Å |
| 173 | F | 78 | Confident | 83.3 | Confident | 175 Ų | 175 | 76.4 Ų | 76.4 | 77% | 0.768 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -0.8 | -177.8 | -62.1 | -75.8 | 0 | 0 | 0 | 113.6 | S169 C170 A171 | S169-F173 WeakPolarHBondContact O-CD2 3.49Å; S169-F173 VanDerWaalsContact O-CE2 3.27Å; S169-F173 WeakPolarHBondContact O-CE2 3.31Å; C170-F173 PolarHBondContact O-N 3.26Å; A171-F173 PolarHBondContact O-N 3.43Å |
| 174 | E | 68.1 | Low | 83.4 | Confident | 103 Ų | 103 | 69.9 Ų | 69.9 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | trans | -99.3 | 23.3 | 178.6 | -73 | -167.9 | -177.5 | 0 | 0 | 113.3 | L166 | L166-E174 HydrophobicContact CD1-CG 4.46Å; L166-E174 WeakPolarHBondContact CD1-OE2 3.5Å; L166-E174 WeakPolarHBondContact CD2-OE1 3.5Å | ||
| 175 | T | 54.2 | Low | 82.9 | Confident | 188 Ų | 188 | 73.6 Ų | 73.6 | 100% | 1.153 | 40% | 0.404 | S | S | * | . | trans | -73.8 | 0 | 172.8 | 55.5 | 0 | 0 | 0 | 0 | 113.1 |
Retrieved 175 of 175 residues in 25.3 ms
(Link to these results)