| 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 | 44.3 | Very low | 40 | Very low | 248 Ų | 248 | 130.7 Ų | 130.7 | 100% | 1.222 | 83% | 0.834 | S | S | * | * | 0 | 105.2 | 0 | -67 | 164.1 | -179.4 | 0 | 0 | 106.6 | |||||
| 2 | A | 40.4 | Very low | 39.8 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | -81.8 | 164.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | S | 41.6 | Very low | 39.3 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 84% | 0.839 | S | S | * | * | trans | 128.8 | 99.2 | 152.4 | -55 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | K | 41 | Very low | 39 | Very low | 203 Ų | 203 | 136.4 Ų | 136.4 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | 82.8 | 118.7 | 86 | -91.2 | 179.3 | 169.1 | 178.6 | 0 | 112.6 | |||||
| 5 | G | 35.7 | Very low | 38.9 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -67.9 | -171.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 6 | P | 51.6 | Low | 38.9 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | -143.5 | 166.2 | 97.6 | 36.5 | -20.4 | 0 | 0 | 0 | 115.8 | |||||
| 7 | A | 36 | Very low | 38.5 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | -79.4 | 157.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 8 | T | 36.7 | Very low | 38 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -144 | 126.4 | 146.3 | -60.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | S | 38.2 | Very low | 37.7 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | trans | -91.3 | -175.4 | 178.3 | 46.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 10 | T | 35.4 | Very low | 37.7 | Very low | 130 Ų | 130 | 127 Ų | 127 | 80% | 0.798 | 82% | 0.819 | S | S | * | * | trans | 107 | 125.2 | 161.2 | -37.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 11 | S | 39.3 | Very low | 37.9 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | cis | -164.9 | 148.3 | 2 | 34.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 12 | T | 37.5 | Very low | 37.4 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -68.3 | 148.2 | 167.1 | -34.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 13 | E | 33.6 | Very low | 37.4 | Very low | 199 Ų | 199 | 119.7 Ų | 119.7 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -171.3 | 157.1 | 137.1 | -104.3 | 167.5 | -161.3 | 0 | 0 | 112.4 | ||||
| 14 | N | 34.1 | Very low | 37.5 | Very low | 141 Ų | 141 | 119.2 Ų | 119.2 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -131.8 | 152 | -146.2 | 178.2 | 33.5 | 0 | 0 | 0 | 111.5 | ||||
| 15 | S | 38.2 | Very low | 37.6 | Very low | 90 Ų | 90 | 115.8 Ų | 115.8 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | trans | 66.7 | 146.2 | 159.3 | -58 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 16 | S | 39.2 | Very low | 38.1 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | cis | -171.7 | 149.4 | 37.8 | -32.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 17 | T | 32.5 | Very low | 37.7 | Very low | 141 Ų | 141 | 118 Ų | 118 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | 47.1 | 123.4 | 139.6 | 52.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 18 | G | 29.4 | Very low | 38 | Very low | 85 Ų | 85 | 117.3 Ų | 117.3 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | 98.3 | 124.4 | 113.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 19 | G | 32.3 | Very low | 38 | Very low | 78 Ų | 78 | 115.5 Ų | 115.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 146.8 | 85 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 20 | T | 37.5 | Very low | 38 | Very low | 136 Ų | 136 | 113.7 Ų | 113.7 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -28.5 | 144.8 | 153.9 | 31.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 21 | S | 41.9 | Very low | 38.4 | Very low | 120 Ų | 120 | 114.7 Ų | 114.7 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | 170.9 | 113.2 | 118.9 | -70.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 22 | G | 34 | Very low | 38.7 | Very low | 77 Ų | 77 | 113.9 Ų | 113.9 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | 92.7 | 111.7 | 92.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 23 | S | 40.3 | Very low | 39.1 | Very low | 120 Ų | 120 | 112.6 Ų | 112.6 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | -161.1 | 137 | 85 | 39.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 24 | S | 44 | Very low | 39.8 | Very low | 99 Ų | 99 | 109 Ų | 109 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -48.3 | 147.9 | 166 | 44.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 25 | S | 43.2 | Very low | 40.5 | Very low | 130 Ų | 130 | 110.3 Ų | 110.3 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -138.3 | 87 | 141 | -70.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 26 | S | 46.3 | Very low | 41.3 | Very low | 95 Ų | 95 | 111.5 Ų | 111.5 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | -69.4 | 136.4 | 153.7 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 27 | N | 42.5 | Very low | 42.3 | Very low | 162 Ų | 162 | 111.5 Ų | 111.5 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | 166 | 101.9 | 147.4 | -81.3 | -16.1 | 0 | 0 | 0 | 104.3 | ||||
| 28 | G | 41.3 | Very low | 44.2 | Very low | 78 Ų | 78 | 108.2 Ų | 108.2 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | cis | 96.8 | 103.3 | 49 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 29 | A | 37.3 | Very low | 46.7 | Very low | 106 Ų | 106 | 108.2 Ų | 108.2 | 88% | 0.876 | 73% | 0.725 | S | S | * | * | trans | -179.6 | 114.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 30 | G | 38.5 | Very low | 49.3 | Very low | 62 Ų | 62 | 109.7 Ų | 109.7 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | trans | 78.3 | 82 | 151.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | S32 | G30-S32 PolarHBondContact O-N 3.41Š| ||
| 31 | D | 44.3 | Very low | 51.9 | Low | 150 Ų | 150 | 103.2 Ų | 103.2 | 80% | 0.802 | 67% | 0.671 | S | S | * | * | trans | -68.2 | 68 | 141.9 | -176.4 | 33.1 | 0 | 0 | 0 | 107.9 | T33 | D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 3.04Å | ||
| 32 | S | 45.8 | Very low | 54.2 | Low | 90 Ų | 90 | 101.2 Ų | 101.2 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | trans | -72.4 | 100.4 | 156.2 | -53.6 | 0 | 0 | 0 | 0 | 103.1 | G30 N34 | G30-S32 PolarHBondContact O-N 3.41Å; S32-N34 PolarHBondContact O-N 3.24Å | ||
| 33 | T | 45.9 | Very low | 56.8 | Low | 104 Ų | 104 | 100.7 Ų | 100.7 | 64% | 0.638 | 63% | 0.629 | S | S | * | * | trans | -58.7 | 67 | 160 | 36.4 | 0 | 0 | 0 | 0 | 108.9 | D31 Q35 | D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 3.04Å; T33-Q35 PolarHBondContact O-N 3.3Å | ||
| 34 | N | 46.9 | Very low | 59.2 | Low | 123 Ų | 123 | 97.9 Ų | 97.9 | 66% | 0.658 | 61% | 0.609 | S | S | * | * | trans | -66.2 | 86 | 144.7 | -109.3 | -58.6 | 0 | 0 | 0 | 103.3 | S32 D36 | S32-N34 PolarHBondContact O-N 3.24Å; N34-D36 PolarHBondContact O-N 3.42Å | ||
| 35 | Q | 49.4 | Very low | 61.4 | Low | 169 Ų | 169 | 99 Ų | 99 | 79% | 0.79 | 61% | 0.606 | S | S | * | * | trans | -62 | 65.8 | 146.1 | -62 | -174 | 12.7 | 0 | 0 | 106.3 | T33 S37 | T33-Q35 PolarHBondContact O-N 3.3Å; Q35-S37 PolarHBondContact O-N 3.4Å | ||
| 36 | D | 54.2 | Low | 63.5 | Low | 116 Ų | 116 | 97.1 Ų | 97.1 | 62% | 0.62 | 59% | 0.586 | S | S | * | * | trans | -54 | 105.5 | 152 | -93 | -35.9 | 0 | 0 | 0 | 102.2 | N34 T38 | N34-D36 PolarHBondContact O-N 3.42Å; D36-T38 PolarHBondContact O-N 3.45Å | ||
| 37 | S | 61.4 | Low | 65.4 | Low | 101 Ų | 101 | 94.8 Ų | 94.8 | 71% | 0.706 | 57% | 0.568 | S | S | * | * | trans | -68.9 | 76.2 | 180 | 34 | 0 | 0 | 0 | 0 | 106.2 | Q35 F39 | Q35-S37 PolarHBondContact O-N 3.4Å; S37-F39 PolarHBondContact O-N 3.01Å | ||
| 38 | T | 72.4 | Confident | 67.4 | Low | 72 Ų | 72 | 87.2 Ų | 87.2 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | trans | -61.2 | 125.3 | 174.2 | 45.7 | 0 | 0 | 0 | 0 | 106.2 | D36 E40 | D36-T38 PolarHBondContact O-N 3.45Å; T38-E40 PolarHBondContact O-N 2.73Å; T38-E40 VanDerWaalsContact O-N 3.12Å | ||
| 39 | F | 81.4 | Confident | 69.4 | Low | 84 Ų | 84 | 90.7 Ų | 90.7 | 37% | 0.368 | 52% | 0.521 | S | S | . | . | trans | -66.3 | 115.3 | 179 | -64.3 | -73 | 0 | 0 | 0 | 108.4 | S37 A48 L59 L93 | S37-F39 PolarHBondContact O-N 3.01Å; F39-A48 HydrophobicContact CB-CB 4.33Å; F39-A48 VanDerWaalsContact O-CB 3.29Å; F39-A48 WeakPolarHBondContact O-CB 2.93Å; F39-A48 PolarHBondContact O-N 3.39Å; F39-L59 HydrophobicContact CB-CD1 3.79Å; F39-L59 HydrophobicContact CB-CD2 4.05Å; F39-L59 HydrophobicContact CD1-CD1 3.53Å; F39-L59 HydrophobicContact CE1-CD1 4.44Å; F39-L59 HydrophobicContact CG-CD1 3.95Å; F39-L93 HydrophobicContact CE1-CD1 4.45Å | ||
| 40 | E | 87.9 | Confident | 71.7 | Confident | 109 Ų | 109 | 89.2 Ų | 89.2 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | B | Isolated β-bridge | trans | -96.8 | 135.8 | 179.9 | -167.3 | -172.5 | 151.9 | 0 | 0 | 111.1 | T38 L45 L59 | T38-E40 PolarHBondContact O-N 2.73Å; T38-E40 VanDerWaalsContact O-N 3.12Å; E40-L45 WeakPolarHBondContact OE1-CA 3.46Å; E40-L59 WeakPolarHBondContact O-CD2 3.44Å |
| 41 | C | 90.6 | Very high | 74.1 | Confident | 0 Ų | 0 | 86.7 Ų | 86.7 | 0% | 0 | 47% | 0.471 | C | S | . | . | trans | -84.2 | 126.1 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | I43 C44 L45 D46 A48 F60 C61 | C41-I43 PolarHBondContact O-N 2.95Å; C41-I43 PolarHBondContact SG-N 3.23Å; C41-I43 VanDerWaalsContact SG-N 3.36Å; C41-C44 VanDerWaalsContact CB-SG 3.52Å; C41-C44 VanDerWaalsContact SG-SG 3.68Å; C41-L45 VanDerWaalsContact O-CA 3.28Å; C41-L45 WeakPolarHBondContact O-CA 3.48Å; C41-L45 PolarHBondContact O-N 3.46Å; C41-D46 PolarHBondContact N-O 2.8Å; C41-A48 HydrophobicContact CB-CB 4.24Å; C41-F60 VanDerWaalsContact SG-CA 3.58Å; C41-C61 WeakPolarHBondContact CB-SG 3.1Å; C41-C61 PolarHBondContact SG-N 3.37Å | ||
| 42 | N | 90 | Very high | 76.3 | Confident | 79 Ų | 79 | 79.7 Ų | 79.7 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 4.7 | 178.9 | -68.5 | -86.6 | 0 | 0 | 0 | 115.7 | L59 F60 V80 | N42-L59 PolarHBondContact N-O 2.82Å; N42-L59 PolarHBondContact ND2-O 3.07Å; N42-F60 HydrophobicContact CB-CD1 3.98Å; N42-F60 HydrophobicContact CB-CE1 3.61Å; N42-V80 HydrophobicContact CB-CG2 3.86Å |
| 43 | I | 90.3 | Very high | 78.5 | Confident | 66 Ų | 66 | 77.4 Ų | 77.4 | 34% | 0.338 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -49 | 177.1 | -65.1 | 162.4 | 0 | 0 | 0 | 110.6 | C41 F60 C64 P79 | C41-I43 PolarHBondContact O-N 2.95Å; C41-I43 PolarHBondContact SG-N 3.23Å; C41-I43 VanDerWaalsContact SG-N 3.36Å; I43-F60 HydrophobicContact CD1-CB 4.31Å; I43-F60 HydrophobicContact CD1-CD1 3.52Å; I43-F60 HydrophobicContact CD1-CE1 4.11Å; I43-F60 HydrophobicContact CD1-CG 4.12Å; I43-F60 HydrophobicContact CG1-CD1 3.64Å; I43-F60 HydrophobicContact CG1-CE1 4Å; I43-C64 HydrophobicContact CB-CB 3.92Å; I43-C64 HydrophobicContact CD1-CB 3.73Å; I43-C64 HydrophobicContact CG1-CB 4.44Å; I43-C64 HydrophobicContact CG2-CB 3.91Å; I43-P79 HydrophobicContact CD1-CG 4.14Å; I43-P79 HydrophobicContact CG1-CG 4.26Å |
| 44 | C | 90.4 | Very high | 80.7 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 41% | 0.405 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -8.3 | -179.4 | 66.1 | 0 | 0 | 0 | 0 | 114.2 | C41 D46 C61 | C41-C44 VanDerWaalsContact CB-SG 3.52Å; C41-C44 VanDerWaalsContact SG-SG 3.68Å; C44-D46 PolarHBondContact O-N 3.03Å; C44-C61 VanDerWaalsContact SG-SG 3.69Å |
| 45 | L | 89.4 | Confident | 82.8 | Confident | 122 Ų | 122 | 72.3 Ų | 72.3 | 64% | 0.639 | 38% | 0.383 | S | S | * | . | trans | 54.5 | 35.7 | 179.2 | -51.4 | 177.8 | 0 | 0 | 0 | 113 | E40 C41 | E40-L45 WeakPolarHBondContact OE1-CA 3.46Å; C41-L45 VanDerWaalsContact O-CA 3.28Å; C41-L45 WeakPolarHBondContact O-CA 3.48Å; C41-L45 PolarHBondContact O-N 3.46Å | ||
| 46 | D | 88.4 | Confident | 84.8 | Confident | 91 Ų | 91 | 66.5 Ų | 66.5 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -136 | 171 | -179.2 | -168.2 | 9 | 0 | 0 | 0 | 108.9 | C41 C44 A48 | C41-D46 PolarHBondContact N-O 2.8Å; C44-D46 PolarHBondContact O-N 3.03Å; D46-A48 PolarHBondContact O-N 2.79Å |
| 47 | T | 86.3 | Confident | 86.6 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 28% | 0.282 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -53.4 | 121.5 | 178 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | K49 | T47-K49 PolarHBondContact O-N 3.3Å |
| 48 | A | 84.5 | Confident | 88.1 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.033 | 33% | 0.333 | C | S | . | . | trans | -70.1 | 114.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F39 C41 D46 A51 L59 C61 | F39-A48 HydrophobicContact CB-CB 4.33Å; F39-A48 VanDerWaalsContact O-CB 3.29Å; F39-A48 WeakPolarHBondContact O-CB 2.93Å; F39-A48 PolarHBondContact O-N 3.39Å; C41-A48 HydrophobicContact CB-CB 4.24Å; D46-A48 PolarHBondContact O-N 2.79Å; A48-A51 HydrophobicContact CB-CB 3.85Å; A48-L59 HydrophobicContact CB-CD2 3.48Å; A48-L59 VanDerWaalsContact CB-CD2 3.48Å; A48-C61 VanDerWaalsContact CA-SG 3.6Å | ||
| 49 | K | 83.3 | Confident | 89 | Confident | 150 Ų | 150 | 58.3 Ų | 58.3 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 131.1 | 171.2 | -60.3 | 175.5 | -172.9 | 173.3 | 0 | 108.6 | T47 A51 C61 | T47-K49 PolarHBondContact O-N 3.3Å; K49-A51 VanDerWaalsContact C-N 3.35Å; K49-A51 PolarHBondContact O-N 3.03Å; K49-C61 PolarHBondContact N-SG 3.28Å; K49-C61 WeakPolarHBondContact O-CA 3.5Å; K49-C61 WeakPolarHBondContact O-CB 3.22Å |
| 50 | D | 84.9 | Confident | 89.5 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 40% | 0.401 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 57.4 | -171.4 | -73.9 | -67.3 | 0 | 0 | 0 | 111.1 | V52 W62 R111 | D50-V52 PolarHBondContact O-N 2.98Å; D50-W62 HydrophobicContact CB-CB 3.83Å; D50-W62 PolarHBondContact O-N 3.16Å; D50-R111 IonicContact OD1-CZ 3.23Å; D50-R111 IonicContact OD1-NH1 3.63Å; D50-R111 IonicContact OD1-NH2 3.03Å; D50-R111 PolarHBondContact OD1-NH2 2.91Å |
| 51 | A | 88.4 | Confident | 89.7 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 127.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111 | A48 K49 L59 F60 L93 | A48-A51 HydrophobicContact CB-CB 3.85Å; K49-A51 VanDerWaalsContact C-N 3.35Å; K49-A51 PolarHBondContact O-N 3.03Å; A51-L59 HydrophobicContact CB-CD2 4.25Å; A51-F60 WeakPolarHBondContact CA-O 3.21Å; A51-L93 HydrophobicContact CB-CB 4.17Å; A51-L93 PolarHBondContact O-N 2.83Å |
| 52 | V | 91 | Very high | 89.7 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.9 | 174.3 | -67.7 | 0 | 0 | 0 | 0 | 109.7 | D50 L59 F60 W62 L65 | D50-V52 PolarHBondContact O-N 2.98Å; V52-L59 WeakPolarHBondContact O-CA 3.34Å; V52-F60 HydrophobicContact CG2-CB 4.36Å; V52-F60 WeakPolarHBondContact CG2-O 3.42Å; V52-F60 PolarHBondContact N-O 2.92Å; V52-F60 PolarHBondContact O-N 3.03Å; V52-W62 HydrophobicContact CG1-CB 4.2Å; V52-W62 HydrophobicContact CG1-CE3 3.93Å; V52-W62 HydrophobicContact CG2-CE3 4.39Å; V52-L65 HydrophobicContact CG2-CB 4.33Å; V52-L65 HydrophobicContact CG2-CD2 3.77Å |
| 53 | I | 92 | Very high | 89.8 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 22% | 0.221 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.6 | 172.1 | -77.5 | -173.4 | 0 | 0 | 0 | 109.3 | L59 I91 L93 | I53-L59 HydrophobicContact CD1-CD1 4.38Å; I53-L59 HydrophobicContact CG1-CB 4.23Å; I53-L59 HydrophobicContact CG1-CD1 4.19Å; I53-L59 HydrophobicContact CG1-CG 4.25Å; I53-I91 PolarHBondContact N-O 2.87Å; I53-I91 PolarHBondContact O-N 2.83Å; I53-L93 HydrophobicContact CD1-CD1 3.28Å; I53-L93 HydrophobicContact CD1-CD2 4.11Å; I53-L93 HydrophobicContact CD1-CG 3.83Å; I53-L93 HydrophobicContact CG1-CD1 3.57Å; I53-L93 HydrophobicContact CG1-CG 3.9Å |
| 54 | S | 91.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | trans | -76.8 | 156.4 | 167.4 | 57.7 | 0 | 0 | 0 | 0 | 111 | C56 G57 H58 I85 | S54-C56 PolarHBondContact O-N 2.99Å; S54-C56 PolarHBondContact OG-SG 2.89Å; S54-G57 PolarHBondContact O-N 3.28Å; S54-H58 PolarHBondContact N-O 3.28Å; S54-H58 PolarHBondContact OG-N 3.02Å; S54-H58 VanDerWaalsContact OG-N 3.15Å; S54-H58 PolarHBondContact OG-O 2.95Å; S54-I85 VanDerWaalsContact CB-CD1 3.43Å | ||
| 55 | L | 90.3 | Very high | 90 | Very high | 119 Ų | 119 | 47 Ų | 47 | 62% | 0.623 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23 | 176.7 | -64.6 | 179.1 | 0 | 0 | 0 | 114 | G57 K89 I91 | L55-G57 VanDerWaalsContact C-N 3.27Å; L55-G57 PolarHBondContact O-N 3.18Å; L55-K89 HydrophobicContact CD1-CB 4Å; L55-K89 HydrophobicContact CD1-CD 4.13Å; L55-K89 HydrophobicContact CG-CB 4.39Å; L55-K89 WeakPolarHBondContact CG-O 3.29Å; L55-I91 HydrophobicContact CD2-CD1 4.31Å |
| 56 | C | 92.1 | Very high | 90.1 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 31% | 0.311 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 5.8 | 174.7 | 65.6 | 0 | 0 | 0 | 0 | 114.5 | S54 H58 C81 A83 | S54-C56 PolarHBondContact O-N 2.99Å; S54-C56 PolarHBondContact OG-SG 2.89Å; C56-H58 PolarHBondContact O-ND1 3.22Å; C56-H58 PolarHBondContact SG-ND1 3.24Å; C56-C81 PolarHBondContact SG-SG 2.95Å; C56-A83 HydrophobicContact CB-CB 3.78Å |
| 57 | G | 91.1 | Very high | 90.3 | Very high | 54 Ų | 54 | 44.5 Ų | 44.5 | 56% | 0.557 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 85.9 | 0.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116 | S54 L55 | S54-G57 PolarHBondContact O-N 3.28Å; L55-G57 VanDerWaalsContact C-N 3.27Å; L55-G57 PolarHBondContact O-N 3.18Å |
| 58 | H | 92.9 | Very high | 90.6 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 21% | 0.208 | 24% | 0.243 | C | C | . | . | trans | -84.5 | 137.3 | 178.3 | -62.7 | 89 | 0 | 0 | 0 | 111.5 | S54 C56 F60 V80 C81 | S54-H58 PolarHBondContact N-O 3.28Å; S54-H58 PolarHBondContact OG-N 3.02Å; S54-H58 VanDerWaalsContact OG-N 3.15Å; S54-H58 PolarHBondContact OG-O 2.95Å; C56-H58 PolarHBondContact O-ND1 3.22Å; C56-H58 PolarHBondContact SG-ND1 3.24Å; H58-F60 HydrophobicContact CB-CE2 3.52Å; H58-F60 HydrophobicContact CB-CZ 3.48Å; H58-F60 VanDerWaalsContact CB-CZ 3.48Å; H58-F60 WeakPolarHBondContact O-CE2 3.31Å; H58-V80 HydrophobicContact CB-CG2 4.44Å; H58-V80 WeakPolarHBondContact CD2-CB 3.23Å; H58-V80 VanDerWaalsContact CD2-CG1 3.42Å; H58-V80 WeakPolarHBondContact CD2-CG1 3.38Å; H58-V80 WeakPolarHBondContact NE2-CG1 3.46Å; H58-C81 VanDerWaalsContact CE1-CB 3.48Å; H58-C81 WeakPolarHBondContact CE1-CB 3.22Å; H58-C81 PolarHBondContact CE1-SG 2.8Å; H58-C81 PolarHBondContact ND1-SG 3.22Å | ||
| 59 | L | 91.7 | Very high | 90.9 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.9 | -175.5 | -167.6 | 149.6 | 0 | 0 | 0 | 111.9 | F39 E40 N42 A48 A51 V52 I53 L93 | F39-L59 HydrophobicContact CB-CD1 3.79Å; F39-L59 HydrophobicContact CB-CD2 4.05Å; F39-L59 HydrophobicContact CD1-CD1 3.53Å; F39-L59 HydrophobicContact CE1-CD1 4.44Å; F39-L59 HydrophobicContact CG-CD1 3.95Å; E40-L59 WeakPolarHBondContact O-CD2 3.44Å; N42-L59 PolarHBondContact N-O 2.82Å; N42-L59 PolarHBondContact ND2-O 3.07Å; A48-L59 HydrophobicContact CB-CD2 3.48Å; A48-L59 VanDerWaalsContact CB-CD2 3.48Å; A51-L59 HydrophobicContact CB-CD2 4.25Å; V52-L59 WeakPolarHBondContact O-CA 3.34Å; I53-L59 HydrophobicContact CD1-CD1 4.38Å; I53-L59 HydrophobicContact CG1-CB 4.23Å; I53-L59 HydrophobicContact CG1-CD1 4.19Å; I53-L59 HydrophobicContact CG1-CG 4.25Å; L59-L93 HydrophobicContact CD1-CD1 3.69Å |
| 60 | F | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 161.2 | -179.7 | -49.8 | -78.3 | 0 | 0 | 0 | 111.7 | C41 N42 I43 A51 V52 H58 L65 P79 V80 | C41-F60 VanDerWaalsContact SG-CA 3.58Å; N42-F60 HydrophobicContact CB-CD1 3.98Å; N42-F60 HydrophobicContact CB-CE1 3.61Å; I43-F60 HydrophobicContact CD1-CB 4.31Å; I43-F60 HydrophobicContact CD1-CD1 3.52Å; I43-F60 HydrophobicContact CD1-CE1 4.11Å; I43-F60 HydrophobicContact CD1-CG 4.12Å; I43-F60 HydrophobicContact CG1-CD1 3.64Å; I43-F60 HydrophobicContact CG1-CE1 4Å; A51-F60 WeakPolarHBondContact CA-O 3.21Å; V52-F60 HydrophobicContact CG2-CB 4.36Å; V52-F60 WeakPolarHBondContact CG2-O 3.42Å; V52-F60 PolarHBondContact N-O 2.92Å; V52-F60 PolarHBondContact O-N 3.03Å; H58-F60 HydrophobicContact CB-CE2 3.52Å; H58-F60 HydrophobicContact CB-CZ 3.48Å; H58-F60 VanDerWaalsContact CB-CZ 3.48Å; H58-F60 WeakPolarHBondContact O-CE2 3.31Å; F60-L65 HydrophobicContact CB-CB 4.11Å; F60-L65 HydrophobicContact CD2-CD1 4.11Å; F60-L65 HydrophobicContact CD2-CD2 4.34Å; F60-L65 HydrophobicContact CE2-CD1 4.47Å; F60-L65 HydrophobicContact CG-CD1 4.45Å; F60-P79 HydrophobicContact CE1-CB 4.36Å; F60-P79 HydrophobicContact CE1-CG 3.93Å; F60-P79 HydrophobicContact CZ-CG 4.07Å; F60-V80 HydrophobicContact CE1-CG2 4.11Å; F60-V80 HydrophobicContact CZ-CG2 4.05Å |
| 61 | C | 91.6 | Very high | 91.4 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 140.5 | 161 | -57.7 | 0 | 0 | 0 | 0 | 109.4 | C41 C44 A48 K49 P63 C64 L65 | C41-C61 WeakPolarHBondContact CB-SG 3.1Å; C41-C61 PolarHBondContact SG-N 3.37Å; C44-C61 VanDerWaalsContact SG-SG 3.69Å; A48-C61 VanDerWaalsContact CA-SG 3.6Å; K49-C61 PolarHBondContact N-SG 3.28Å; K49-C61 WeakPolarHBondContact O-CA 3.5Å; K49-C61 WeakPolarHBondContact O-CB 3.22Å; C61-P63 HydrophobicContact CB-CG 4.1Å; C61-C64 HydrophobicContact CB-CB 4.02Å; C61-C64 PolarHBondContact O-N 3.36Å; C61-C64 VanDerWaalsContact O-N 3.16Å; C61-L65 PolarHBondContact O-N 3.16Å |
| 62 | W | 91.3 | Very high | 91.2 | Very high | 49 Ų | 49 | 49.3 Ų | 49.3 | 19% | 0.186 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -49.1 | -51.4 | 171.8 | 177.5 | -117.1 | 0 | 0 | 0 | 114 | D50 V52 C64 L65 H66 R87 V90 | D50-W62 HydrophobicContact CB-CB 3.83Å; D50-W62 PolarHBondContact O-N 3.16Å; V52-W62 HydrophobicContact CG1-CB 4.2Å; V52-W62 HydrophobicContact CG1-CE3 3.93Å; V52-W62 HydrophobicContact CG2-CE3 4.39Å; W62-C64 VanDerWaalsContact C-N 3.32Å; W62-C64 PolarHBondContact O-N 2.82Å; W62-L65 PolarHBondContact O-N 3Å; W62-H66 WeakPolarHBondContact O-CB 3.3Å; W62-H66 PolarHBondContact O-N 3.22Å; W62-R87 HydrophobicContact CH2-CG 3.97Å; W62-V90 HydrophobicContact CE3-CG2 4.43Å; W62-V90 HydrophobicContact CZ3-CG2 3.67Å |
| 63 | P | 92 | Very high | 90.7 | Very high | 75 Ų | 75 | 53.4 Ų | 53.4 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.9 | -35.8 | 179.3 | 23.9 | -35.3 | 0 | 0 | 0 | 113.2 | C61 Q67 | C61-P63 HydrophobicContact CB-CG 4.1Å; P63-Q67 WeakPolarHBondContact O-CB 3.46Å; P63-Q67 PolarHBondContact O-N 3.5Å |
| 64 | C | 92.9 | Very high | 90.3 | Very high | 30 Ų | 30 | 59 Ų | 59 | 20% | 0.203 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 178.9 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | I43 C61 W62 H66 W68 | I43-C64 HydrophobicContact CB-CB 3.92Å; I43-C64 HydrophobicContact CD1-CB 3.73Å; I43-C64 HydrophobicContact CG1-CB 4.44Å; I43-C64 HydrophobicContact CG2-CB 3.91Å; C61-C64 HydrophobicContact CB-CB 4.02Å; C61-C64 PolarHBondContact O-N 3.36Å; C61-C64 VanDerWaalsContact O-N 3.16Å; W62-C64 VanDerWaalsContact C-N 3.32Å; W62-C64 PolarHBondContact O-N 2.82Å; C64-H66 VanDerWaalsContact C-N 3.35Å; C64-W68 PolarHBondContact O-N 3.48Å |
| 65 | L | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68 | -38.8 | 178.3 | -174.9 | 61.9 | 0 | 0 | 0 | 111.5 | V52 F60 C61 W62 W68 L69 I85 V90 | V52-L65 HydrophobicContact CG2-CB 4.33Å; V52-L65 HydrophobicContact CG2-CD2 3.77Å; F60-L65 HydrophobicContact CB-CB 4.11Å; F60-L65 HydrophobicContact CD2-CD1 4.11Å; F60-L65 HydrophobicContact CD2-CD2 4.34Å; F60-L65 HydrophobicContact CE2-CD1 4.47Å; F60-L65 HydrophobicContact CG-CD1 4.45Å; C61-L65 PolarHBondContact O-N 3.16Å; W62-L65 PolarHBondContact O-N 3Å; L65-W68 WeakPolarHBondContact O-CB 3.19Å; L65-W68 PolarHBondContact O-N 3.49Å; L65-L69 HydrophobicContact CG-CD1 4.27Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.36Å; L65-I85 HydrophobicContact CD1-CD1 4.03Å; L65-I85 HydrophobicContact CD2-CD1 3.89Å; L65-I85 HydrophobicContact CG-CD1 4.49Å; L65-V90 HydrophobicContact CD2-CG1 3.78Å |
| 66 | H | 91.5 | Very high | 89.8 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.8 | -52.3 | 176.7 | -175.4 | -81.5 | 0 | 0 | 0 | 112 | W62 C64 W68 L69 E70 R87 | W62-H66 WeakPolarHBondContact O-CB 3.3Å; W62-H66 PolarHBondContact O-N 3.22Å; C64-H66 VanDerWaalsContact C-N 3.35Å; H66-W68 PolarHBondContact O-N 3.07Å; H66-L69 PolarHBondContact O-N 2.96Å; H66-L69 VanDerWaalsContact O-N 3.16Å; H66-E70 IonicContact CE1-OE1 2.83Å; H66-E70 PolarHBondContact CE1-OE1 3.3Å; H66-E70 IonicContact CE1-OE2 2.8Å; H66-E70 PolarHBondContact CE1-OE2 3.01Å; H66-E70 VanDerWaalsContact CE1-OE2 3.23Å; H66-E70 IonicContact ND1-OE1 3.52Å; H66-E70 PolarHBondContact ND1-OE1 2.82Å; H66-E70 IonicContact ND1-OE2 3.39Å; H66-E70 PolarHBondContact ND1-OE2 3.21Å; H66-E70 IonicContact NE2-OE1 3.67Å; H66-E70 WeakPolarHBondContact O-CG 3.43Å; H66-E70 PolarHBondContact O-N 3.23Å; H66-R87 PolarHBondContact CD2-NH1 3.34Å; H66-R87 PolarHBondContact CD2-NH2 2.87Å; H66-R87 PolarHBondContact NE2-NH1 3.16Å; H66-R87 PolarHBondContact NE2-NH2 3.44Å |
| 67 | Q | 92.4 | Very high | 89.8 | Confident | 119 Ų | 119 | 66.1 Ų | 66.1 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.3 | -39.6 | 177.4 | -171.8 | 67.4 | 26 | 0 | 0 | 111.6 | P63 E70 T71 | P63-Q67 WeakPolarHBondContact O-CB 3.46Å; P63-Q67 PolarHBondContact O-N 3.5Å; Q67-E70 PolarHBondContact O-N 3.33Å; Q67-T71 WeakPolarHBondContact O-CB 3.48Å; Q67-T71 PolarHBondContact O-N 3.18Å; Q67-T71 PolarHBondContact O-OG1 3.04Å |
| 68 | W | 91.6 | Very high | 89.9 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 24% | 0.235 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 177.7 | 178.6 | -99.2 | 0 | 0 | 0 | 112.5 | C64 L65 H66 T71 R72 V77 P79 | C64-W68 PolarHBondContact O-N 3.48Å; L65-W68 WeakPolarHBondContact O-CB 3.19Å; L65-W68 PolarHBondContact O-N 3.49Å; H66-W68 PolarHBondContact O-N 3.07Å; W68-T71 PolarHBondContact O-N 2.83Å; W68-R72 VanDerWaalsContact CH2-CZ 3.46Å; W68-R72 VanDerWaalsContact CH2-NH1 3.27Å; W68-R72 PolarHBondContact O-N 3.29Å; W68-V77 PolarHBondContact NE1-O 3.48Å; W68-P79 HydrophobicContact CD2-CG 4.03Å; W68-P79 HydrophobicContact CG-CG 4.12Å; W68-P79 HydrophobicContact CZ2-CB 4.21Å; W68-P79 HydrophobicContact CZ2-CG 4.28Å |
| 69 | L | 90 | Very high | 89.8 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.7 | -35.3 | 179.1 | -65.5 | 175.8 | 0 | 0 | 0 | 112.2 | L65 H66 R72 Q76 I85 R87 | L65-L69 HydrophobicContact CG-CD1 4.27Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.36Å; H66-L69 PolarHBondContact O-N 2.96Å; H66-L69 VanDerWaalsContact O-N 3.16Å; L69-R72 CarbonylContact O-C 3.35Å; L69-R72 PolarHBondContact O-N 2.99Å; L69-Q76 HydrophobicContact CD2-CB 4.03Å; L69-Q76 HydrophobicContact CD2-CG 4.37Å; L69-I85 HydrophobicContact CD2-CG2 3.78Å; L69-R87 HydrophobicContact CD1-CB 4.28Å |
| 70 | E | 89.9 | Confident | 89.8 | Confident | 104 Ų | 104 | 65.8 Ų | 65.8 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.8 | -35.8 | 176.8 | -74 | -177.9 | 152.6 | 0 | 0 | 113 | H66 Q67 R72 | H66-E70 IonicContact CE1-OE1 2.83Å; H66-E70 PolarHBondContact CE1-OE1 3.3Å; H66-E70 IonicContact CE1-OE2 2.8Å; H66-E70 PolarHBondContact CE1-OE2 3.01Å; H66-E70 VanDerWaalsContact CE1-OE2 3.23Å; H66-E70 IonicContact ND1-OE1 3.52Å; H66-E70 PolarHBondContact ND1-OE1 2.82Å; H66-E70 IonicContact ND1-OE2 3.39Å; H66-E70 PolarHBondContact ND1-OE2 3.21Å; H66-E70 IonicContact NE2-OE1 3.67Å; H66-E70 WeakPolarHBondContact O-CG 3.43Å; H66-E70 PolarHBondContact O-N 3.23Å; Q67-E70 PolarHBondContact O-N 3.33Å; E70-R72 PolarHBondContact O-N 2.82Å |
| 71 | T | 88.8 | Confident | 89.7 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.9 | -24.8 | 177.2 | -53 | 0 | 0 | 0 | 0 | 111.5 | Q67 W68 | Q67-T71 WeakPolarHBondContact O-CB 3.48Å; Q67-T71 PolarHBondContact O-N 3.18Å; Q67-T71 PolarHBondContact O-OG1 3.04Å; W68-T71 PolarHBondContact O-N 2.83Å |
| 72 | R | 84.9 | Confident | 89.7 | Confident | 120 Ų | 120 | 76.1 Ų | 76.1 | 45% | 0.453 | 38% | 0.381 | S | S | . | . | trans | -134.4 | 66.6 | -173.5 | -60.9 | -178.8 | -174.2 | -173.8 | 2.6 | 111.9 | W68 L69 E70 N74 R75 | W68-R72 VanDerWaalsContact CH2-CZ 3.46Å; W68-R72 VanDerWaalsContact CH2-NH1 3.27Å; W68-R72 PolarHBondContact O-N 3.29Å; L69-R72 CarbonylContact O-C 3.35Å; L69-R72 PolarHBondContact O-N 2.99Å; E70-R72 PolarHBondContact O-N 2.82Å; R72-N74 VanDerWaalsContact C-N 3.27Å; R72-N74 PolarHBondContact O-N 3.15Å; R72-R75 CarbonylContact O-C 3.34Å; R72-R75 PolarHBondContact O-N 3.01Å | ||
| 73 | P | 81.3 | Confident | 89.7 | Confident | 90 Ų | 90 | 75.5 Ų | 75.5 | 58% | 0.584 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -33.6 | -175.5 | 25.8 | -34.1 | 0 | 0 | 0 | 112.6 | R75 | P73-R75 VanDerWaalsContact C-N 3.29Å; P73-R75 PolarHBondContact O-N 2.94Å |
| 74 | N | 83.1 | Confident | 89.5 | Confident | 161 Ų | 161 | 75.3 Ų | 75.3 | 86% | 0.861 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -12.4 | 178.8 | -70.4 | -24.1 | 0 | 0 | 0 | 113.9 | R72 | R72-N74 VanDerWaalsContact C-N 3.27Å; R72-N74 PolarHBondContact O-N 3.15Å |
| 75 | R | 83.4 | Confident | 89.4 | Confident | 190 Ų | 190 | 74.5 Ų | 74.5 | 72% | 0.717 | 39% | 0.391 | S | S | * | . | trans | -140.9 | 80.9 | -175.9 | -68.1 | -170.1 | -178.5 | 176.5 | 2 | 110.5 | R72 P73 V77 | R72-R75 CarbonylContact O-C 3.34Å; R72-R75 PolarHBondContact O-N 3.01Å; P73-R75 VanDerWaalsContact C-N 3.29Å; P73-R75 PolarHBondContact O-N 2.94Å; R75-V77 PolarHBondContact O-N 2.96Å | ||
| 76 | Q | 88.6 | Confident | 89.1 | Confident | 80 Ų | 80 | 75.6 Ų | 75.6 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | trans | -80 | 86 | 174.8 | -52.5 | -167.6 | -16.4 | 0 | 0 | 109.9 | L69 G84 I85 | L69-Q76 HydrophobicContact CD2-CB 4.03Å; L69-Q76 HydrophobicContact CD2-CG 4.37Å; Q76-G84 WeakPolarHBondContact O-CA 3.28Å; Q76-I85 HydrophobicContact CB-CG2 4.5Å; Q76-I85 WeakPolarHBondContact CB-O 3.42Å; Q76-I85 PolarHBondContact O-N 3.02Å; Q76-I85 PolarHBondContact OE1-O 2.83Å | ||
| 77 | V | 92.3 | Very high | 88.8 | Confident | 44 Ų | 44 | 78 Ų | 78 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -126 | 147 | -178.3 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | W68 R75 A83 | W68-V77 PolarHBondContact NE1-O 3.48Å; R75-V77 PolarHBondContact O-N 2.96Å; V77-A83 CarbonylContact C-O 3.52Å; V77-A83 VanDerWaalsContact CA-O 3.31Å; V77-A83 WeakPolarHBondContact CA-O 3.42Å |
| 78 | C | 92.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.007 | 41% | 0.414 | C | S | . | . | trans | -61 | 132.6 | 174 | 179 | 0 | 0 | 0 | 0 | 110.9 | V80 C81 K82 A83 | C78-V80 PolarHBondContact O-N 3.19Å; C78-V80 PolarHBondContact SG-N 3.46Å; C78-C81 VanDerWaalsContact SG-SG 3.66Å; C78-K82 WeakPolarHBondContact O-CA 3.47Å; C78-K82 PolarHBondContact O-N 3.25Å; C78-A83 PolarHBondContact N-O 3.12Å | ||
| 79 | P | 90.3 | Very high | 88 | Confident | 41 Ų | 41 | 82 Ų | 82 | 27% | 0.266 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -29.7 | 176.6 | -22.4 | 29.6 | 0 | 0 | 0 | 114.1 | I43 F60 W68 | I43-P79 HydrophobicContact CD1-CG 4.14Å; I43-P79 HydrophobicContact CG1-CG 4.26Å; F60-P79 HydrophobicContact CE1-CB 4.36Å; F60-P79 HydrophobicContact CE1-CG 3.93Å; F60-P79 HydrophobicContact CZ-CG 4.07Å; W68-P79 HydrophobicContact CD2-CG 4.03Å; W68-P79 HydrophobicContact CG-CG 4.12Å; W68-P79 HydrophobicContact CZ2-CB 4.21Å; W68-P79 HydrophobicContact CZ2-CG 4.28Å |
| 80 | V | 91.8 | Very high | 88 | Confident | 69 Ų | 69 | 82.6 Ų | 82.6 | 42% | 0.418 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -61.4 | -173.5 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | N42 H58 F60 C78 | N42-V80 HydrophobicContact CB-CG2 3.86Å; H58-V80 HydrophobicContact CB-CG2 4.44Å; H58-V80 WeakPolarHBondContact CD2-CB 3.23Å; H58-V80 VanDerWaalsContact CD2-CG1 3.42Å; H58-V80 WeakPolarHBondContact CD2-CG1 3.38Å; H58-V80 WeakPolarHBondContact NE2-CG1 3.46Å; F60-V80 HydrophobicContact CE1-CG2 4.11Å; F60-V80 HydrophobicContact CZ-CG2 4.05Å; C78-V80 PolarHBondContact O-N 3.19Å; C78-V80 PolarHBondContact SG-N 3.46Å |
| 81 | C | 91.3 | Very high | 87.9 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 40% | 0.399 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -0.6 | -173.3 | 67 | 0 | 0 | 0 | 0 | 114.9 | C56 H58 C78 A83 | C56-C81 PolarHBondContact SG-SG 2.95Å; H58-C81 VanDerWaalsContact CE1-CB 3.48Å; H58-C81 WeakPolarHBondContact CE1-CB 3.22Å; H58-C81 PolarHBondContact CE1-SG 2.8Å; H58-C81 PolarHBondContact ND1-SG 3.22Å; C78-C81 VanDerWaalsContact SG-SG 3.66Å; C81-A83 PolarHBondContact O-N 2.98Å; C81-A83 VanDerWaalsContact O-N 3.07Å; C81-A83 VanDerWaalsContact SG-CB 3.58Å |
| 82 | K | 91.9 | Very high | 87.8 | Confident | 164 Ų | 164 | 79.9 Ų | 79.9 | 71% | 0.713 | 42% | 0.421 | S | S | * | . | trans | 61.7 | 11.4 | -179.1 | -48.1 | -179.1 | -176.9 | -169.5 | 0 | 115.5 | C78 | C78-K82 WeakPolarHBondContact O-CA 3.47Å; C78-K82 PolarHBondContact O-N 3.25Å | ||
| 83 | A | 89.6 | Confident | 87.9 | Confident | 37 Ų | 37 | 76.9 Ų | 76.9 | 31% | 0.306 | 41% | 0.414 | S | S | . | . | trans | -61.1 | 146.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | C56 V77 C78 C81 I85 | C56-A83 HydrophobicContact CB-CB 3.78Å; V77-A83 CarbonylContact C-O 3.52Å; V77-A83 VanDerWaalsContact CA-O 3.31Å; V77-A83 WeakPolarHBondContact CA-O 3.42Å; C78-A83 PolarHBondContact N-O 3.12Å; C81-A83 PolarHBondContact O-N 2.98Å; C81-A83 VanDerWaalsContact O-N 3.07Å; C81-A83 VanDerWaalsContact SG-CB 3.58Å; A83-I85 PolarHBondContact O-N 3.29Å | ||
| 84 | G | 89.2 | Confident | 87.6 | Confident | 70 Ų | 70 | 80.6 Ų | 80.6 | 72% | 0.722 | 42% | 0.417 | S | S | * | . | B | Isolated β-bridge | trans | -60.7 | 123.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q76 | Q76-G84 WeakPolarHBondContact O-CA 3.28Å |
| 85 | I | 90.5 | Very high | 86.8 | Confident | 13 Ų | 13 | 74.6 Ų | 74.6 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | trans | -123.3 | 148.6 | 177.6 | -171.5 | 172.6 | 0 | 0 | 0 | 108 | S54 L65 L69 Q76 A83 V90 | S54-I85 VanDerWaalsContact CB-CD1 3.43Å; L65-I85 HydrophobicContact CD1-CD1 4.03Å; L65-I85 HydrophobicContact CD2-CD1 3.89Å; L65-I85 HydrophobicContact CG-CD1 4.49Å; L69-I85 HydrophobicContact CD2-CG2 3.78Å; Q76-I85 HydrophobicContact CB-CG2 4.5Å; Q76-I85 WeakPolarHBondContact CB-O 3.42Å; Q76-I85 PolarHBondContact O-N 3.02Å; Q76-I85 PolarHBondContact OE1-O 2.83Å; A83-I85 PolarHBondContact O-N 3.29Å; I85-V90 HydrophobicContact CD1-CG1 3.94Å; I85-V90 HydrophobicContact CG1-CG1 4.16Å | ||
| 86 | S | 86.6 | Confident | 85.9 | Confident | 24 Ų | 24 | 78.4 Ų | 78.4 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | trans | -132.2 | 149.8 | 170.8 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | D88 K89 | S86-D88 PolarHBondContact O-N 3.19Å; S86-K89 PolarHBondContact O-N 2.92Å; S86-K89 VanDerWaalsContact OG-CB 3.3Å; S86-K89 WeakPolarHBondContact OG-CB 3.4Å; S86-K89 WeakPolarHBondContact OG-CD 3.49Å; S86-K89 WeakPolarHBondContact OG-CG 3.48Å | ||
| 87 | R | 84.5 | Confident | 84.3 | Confident | 90 Ų | 90 | 75.9 Ų | 75.9 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -55.8 | -34.6 | -176.6 | -170.9 | -175.7 | 175.8 | 115.4 | 0.3 | 113 | W62 H66 L69 V90 | W62-R87 HydrophobicContact CH2-CG 3.97Å; H66-R87 PolarHBondContact CD2-NH1 3.34Å; H66-R87 PolarHBondContact CD2-NH2 2.87Å; H66-R87 PolarHBondContact NE2-NH1 3.16Å; H66-R87 PolarHBondContact NE2-NH2 3.44Å; L69-R87 HydrophobicContact CD1-CB 4.28Å; R87-V90 VanDerWaalsContact O-CG2 3.22Å; R87-V90 WeakPolarHBondContact O-CG2 3.33Å |
| 88 | D | 82.9 | Confident | 82.6 | Confident | 134 Ų | 134 | 76.8 Ų | 76.8 | 72% | 0.717 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -85.5 | -9 | -178.3 | -46.6 | -60.4 | 0 | 0 | 0 | 113.6 | S86 | S86-D88 PolarHBondContact O-N 3.19Š|
| 89 | K | 84.6 | Confident | 80.8 | Confident | 131 Ų | 131 | 83 Ų | 83 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -108.6 | 26.4 | -177.2 | -64 | -177.9 | -168.1 | 179.1 | 0 | 112.7 | L55 S86 | L55-K89 HydrophobicContact CD1-CB 4Å; L55-K89 HydrophobicContact CD1-CD 4.13Å; L55-K89 HydrophobicContact CG-CB 4.39Å; L55-K89 WeakPolarHBondContact CG-O 3.29Å; S86-K89 PolarHBondContact O-N 2.92Å; S86-K89 VanDerWaalsContact OG-CB 3.3Å; S86-K89 WeakPolarHBondContact OG-CB 3.4Å; S86-K89 WeakPolarHBondContact OG-CD 3.49Å; S86-K89 WeakPolarHBondContact OG-CG 3.48Å |
| 90 | V | 88.9 | Confident | 79.4 | Confident | 23 Ų | 23 | 83.7 Ų | 83.7 | 14% | 0.139 | 47% | 0.465 | C | S | . | . | trans | -100 | 139.2 | 174.7 | -66 | 0 | 0 | 0 | 0 | 110.2 | W62 L65 I85 R87 | W62-V90 HydrophobicContact CE3-CG2 4.43Å; W62-V90 HydrophobicContact CZ3-CG2 3.67Å; L65-V90 HydrophobicContact CD2-CG1 3.78Å; I85-V90 HydrophobicContact CD1-CG1 3.94Å; I85-V90 HydrophobicContact CG1-CG1 4.16Å; R87-V90 VanDerWaalsContact O-CG2 3.22Å; R87-V90 WeakPolarHBondContact O-CG2 3.33Å | ||
| 91 | I | 88.6 | Confident | 77.8 | Confident | 94 Ų | 94 | 89.3 Ų | 89.3 | 48% | 0.482 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 114.5 | -176.6 | -57.5 | 169.4 | 0 | 0 | 0 | 107.4 | I53 L55 | I53-I91 PolarHBondContact N-O 2.87Å; I53-I91 PolarHBondContact O-N 2.83Å; L55-I91 HydrophobicContact CD2-CD1 4.31Å |
| 92 | P | 87.6 | Confident | 76.1 | Confident | 42 Ų | 42 | 94.9 Ų | 94.9 | 27% | 0.273 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134.6 | 175.4 | 28.9 | -32.8 | 0 | 0 | 0 | 110.3 | Y94 | P92-Y94 HydrophobicContact CB-CE1 4.48Å; P92-Y94 HydrophobicContact CB-CE2 3.96Å; P92-Y94 HydrophobicContact CG-CE2 3.85Å |
| 93 | L | 85.3 | Confident | 74.4 | Confident | 57 Ų | 57 | 91.1 Ų | 91.1 | 30% | 0.298 | 49% | 0.494 | S | S | . | . | trans | -98.8 | 122 | 173.1 | -74.9 | -173.6 | 0 | 0 | 0 | 110.4 | F39 A51 I53 L59 | F39-L93 HydrophobicContact CE1-CD1 4.45Å; A51-L93 HydrophobicContact CB-CB 4.17Å; A51-L93 PolarHBondContact O-N 2.83Å; I53-L93 HydrophobicContact CD1-CD1 3.28Å; I53-L93 HydrophobicContact CD1-CD2 4.11Å; I53-L93 HydrophobicContact CD1-CG 3.83Å; I53-L93 HydrophobicContact CG1-CD1 3.57Å; I53-L93 HydrophobicContact CG1-CG 3.9Å; L59-L93 HydrophobicContact CD1-CD1 3.69Å | ||
| 94 | Y | 75.1 | Confident | 72.9 | Confident | 169 Ų | 169 | 93.2 Ų | 93.2 | 66% | 0.663 | 51% | 0.505 | S | S | * | . | trans | -107.4 | 86.6 | 171.6 | -53.3 | -73.4 | 0 | 0 | 0 | 108 | P92 | P92-Y94 HydrophobicContact CB-CE1 4.48Å; P92-Y94 HydrophobicContact CB-CE2 3.96Å; P92-Y94 HydrophobicContact CG-CE2 3.85Å | ||
| 95 | G | 67.8 | Low | 71.5 | Confident | 35 Ų | 35 | 100.3 Ų | 100.3 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | trans | -107.5 | 149.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G97 | G95-G97 PolarHBondContact O-N 3.48Š| ||
| 96 | R | 62.9 | Low | 70.1 | Confident | 270 Ų | 270 | 108 Ų | 108 | 100% | 1.019 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 27.9 | 177.7 | -61.8 | 173.9 | 94.8 | 123.4 | -2.2 | 113.8 | ||
| 97 | G | 55 | Low | 69 | Low | 27 Ų | 27 | 115.7 Ų | 115.7 | 28% | 0.278 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122 | -1.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G95 T99 | G95-G97 PolarHBondContact O-N 3.48Å; G97-T99 PolarHBondContact O-N 2.78Å |
| 98 | S | 57.3 | Low | 67.6 | Low | 63 Ų | 63 | 117.6 Ų | 117.6 | 44% | 0.441 | 60% | 0.597 | S | S | . | * | trans | -87.3 | 102.7 | 174 | 60.5 | 0 | 0 | 0 | 0 | 109.2 | G100 | S98-G100 PolarHBondContact O-N 3.26Š| ||
| 99 | T | 54.9 | Low | 66.8 | Low | 130 Ų | 130 | 116.5 Ų | 116.5 | 80% | 0.798 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -63.6 | 80.8 | 170.8 | 44.1 | 0 | 0 | 0 | 0 | 109.9 | G97 | G97-T99 PolarHBondContact O-N 2.78Š|
| 100 | G | 60.6 | Low | 65.7 | Low | 57 Ų | 57 | 116.2 Ų | 116.2 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | trans | 156.8 | 54.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S98 Q102 | S98-G100 PolarHBondContact O-N 3.26Å; G100-Q102 PolarHBondContact O-N 3.39Å | ||
| 101 | Q | 57.7 | Low | 64.3 | Low | 187 Ų | 187 | 119.3 Ų | 119.3 | 87% | 0.874 | 62% | 0.619 | S | S | * | * | trans | -68.4 | 78.6 | 170.1 | -165.9 | -161.1 | 10.6 | 0 | 0 | 109 | ||||
| 102 | Q | 55.7 | Low | 63.3 | Low | 176 Ų | 176 | 118.3 Ų | 118.3 | 82% | 0.822 | 62% | 0.618 | S | S | * | * | trans | -90.8 | 124 | 152.8 | -79 | 173.9 | 51 | 0 | 0 | 106.2 | G100 P104 | G100-Q102 PolarHBondContact O-N 3.39Å; Q102-P104 WeakPolarHBondContact O-CD 3.22Å | ||
| 103 | D | 56.3 | Low | 62.1 | Low | 84 Ų | 84 | 125.3 Ų | 125.3 | 45% | 0.449 | 65% | 0.647 | S | S | . | * | trans | -56.9 | 116.5 | -177.2 | -168.3 | -20.8 | 0 | 0 | 0 | 109.6 | R105 E106 | D103-R105 PolarHBondContact O-N 2.68Å; D103-R105 WeakPolarHBondContact OD1-CB 3.39Å; D103-R105 WeakPolarHBondContact OD1-CD 3.44Å; D103-R105 WeakPolarHBondContact OD1-CG 3.21Å; D103-R105 PolarHBondContact OD1-N 2.77Å; D103-R105 VanDerWaalsContact OD1-N 3.16Å; D103-E106 PolarHBondContact O-N 2.99Å | ||
| 104 | P | 59.1 | Low | 61.4 | Low | 82 Ų | 82 | 125.7 Ų | 125.7 | 53% | 0.532 | 66% | 0.664 | S | S | . | * | G | 310 helix | trans | -60.8 | -1.9 | 179.1 | -24.1 | 35.1 | 0 | 0 | 0 | 114.6 | Q102 E106 | Q102-P104 WeakPolarHBondContact O-CD 3.22Å; P104-E106 VanDerWaalsContact C-N 3.29Å |
| 105 | R | 59.1 | Low | 60.9 | Low | 218 Ų | 218 | 127.1 Ų | 127.1 | 82% | 0.823 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -72.6 | -15.9 | 173 | -67.7 | 172.3 | 82.2 | -169.2 | 5.2 | 113.8 | D103 | D103-R105 PolarHBondContact O-N 2.68Å; D103-R105 WeakPolarHBondContact OD1-CB 3.39Å; D103-R105 WeakPolarHBondContact OD1-CD 3.44Å; D103-R105 WeakPolarHBondContact OD1-CG 3.21Å; D103-R105 PolarHBondContact OD1-N 2.77Å; D103-R105 VanDerWaalsContact OD1-N 3.16Å |
| 106 | E | 62.1 | Low | 60.8 | Low | 176 Ų | 176 | 135.3 Ų | 135.3 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -95.1 | -1.7 | -173.8 | -68.4 | -163.3 | 159.8 | 0 | 0 | 115.9 | D103 P104 | D103-E106 PolarHBondContact O-N 2.99Å; P104-E106 VanDerWaalsContact C-N 3.29Å |
| 107 | K | 63.1 | Low | 61 | Low | 185 Ų | 185 | 127.7 Ų | 127.7 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -129.1 | 84.8 | 176.8 | -156 | 110.6 | 179.2 | -167.1 | 0 | 112.3 | ||
| 108 | T | 54.4 | Low | 61.8 | Low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | -51.4 | 133.2 | 159.4 | 25.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 109 | P | 66.1 | Low | 62.3 | Low | 111 Ų | 111 | 135.8 Ų | 135.8 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | S | Bend | -107.8 | 165.4 | 53.7 | 37 | -34.6 | 0 | 0 | 0 | 115.1 | R111 | P109-R111 PolarHBondContact O-N 2.86Š| |
| 110 | P | 61.8 | Low | 62.9 | Low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 118.2 | -170.6 | 25.7 | -34 | 0 | 0 | 0 | 112.3 | ||
| 111 | R | 59 | Low | 63 | Low | 88 Ų | 88 | 141.8 Ų | 141.8 | 33% | 0.332 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 133.6 | 170.6 | 177.4 | 176.6 | -99.3 | 138 | -5.8 | 108.9 | D50 P109 Q113 | D50-R111 IonicContact OD1-CZ 3.23Å; D50-R111 IonicContact OD1-NH1 3.63Å; D50-R111 IonicContact OD1-NH2 3.03Å; D50-R111 PolarHBondContact OD1-NH2 2.91Å; P109-R111 PolarHBondContact O-N 2.86Å; R111-Q113 PolarHBondContact O-N 2.76Å |
| 112 | P | 67.8 | Low | 63.1 | Low | 73 Ų | 73 | 143.9 Ų | 143.9 | 47% | 0.474 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -55 | 131.2 | 173.7 | 22 | -31.9 | 0 | 0 | 0 | 109.4 | G114 | P112-G114 PolarHBondContact O-N 2.66Š|
| 113 | Q | 63.8 | Low | 62.9 | Low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 130 | -177.2 | -68.2 | -178.2 | -9.7 | 0 | 0 | 109 | R111 Q115 | R111-Q113 PolarHBondContact O-N 2.76Å; Q113-Q115 PolarHBondContact O-N 3.2Å |
| 114 | G | 69.6 | Low | 62.6 | Low | 64 Ų | 64 | 137.1 Ų | 137.1 | 66% | 0.66 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -59 | 129.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P112 R116 | P112-G114 PolarHBondContact O-N 2.66Å; G114-R116 PolarHBondContact O-N 2.85Å |
| 115 | Q | 65.5 | Low | 62.2 | Low | 199 Ų | 199 | 142.4 Ų | 142.4 | 93% | 0.93 | 73% | 0.734 | S | S | * | * | trans | -68.7 | 75.3 | 164.5 | -76.2 | 178 | -32.6 | 0 | 0 | 107.8 | Q113 P117 | Q113-Q115 PolarHBondContact O-N 3.2Å; Q115-P117 WeakPolarHBondContact O-CD 3.09Å | ||
| 116 | R | 65.8 | Low | 62 | Low | 207 Ų | 207 | 141.8 Ų | 141.8 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | trans | -83.9 | 103.9 | 163.9 | -177.2 | 173 | -173.4 | 174.1 | 2.5 | 105.4 | G114 E118 | G114-R116 PolarHBondContact O-N 2.85Å; R116-E118 PolarHBondContact O-N 3.24Å | ||
| 117 | P | 66.6 | Low | 61.3 | Low | 111 Ų | 111 | 134.6 Ų | 134.6 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | trans | -52.9 | 132.2 | 162.8 | 22 | -30.2 | 0 | 0 | 0 | 107.6 | Q115 | Q115-P117 WeakPolarHBondContact O-CD 3.09Š| ||
| 118 | E | 72.7 | Confident | 59.9 | Low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 72% | 0.72 | S | S | * | * | trans | -47 | 131.8 | 177.1 | -165.7 | 107.8 | 92.1 | 0 | 0 | 107.9 | R116 E120 | R116-E118 PolarHBondContact O-N 3.24Å; E118-E120 PolarHBondContact O-N 3.2Å | ||
| 119 | P | 67.6 | Low | 59.2 | Low | 82 Ų | 82 | 132.8 Ų | 132.8 | 53% | 0.532 | 71% | 0.713 | S | S | . | * | trans | -54.7 | 115.1 | 167.8 | 23.3 | -31.9 | 0 | 0 | 0 | 106.7 | N121 | P119-N121 PolarHBondContact O-N 3.26Š| ||
| 120 | E | 67.6 | Low | 57.8 | Low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | -48.1 | 110.1 | 174.7 | -176 | 112.7 | 93.8 | 0 | 0 | 106.5 | E118 R122 | E118-E120 PolarHBondContact O-N 3.2Å; E120-R122 PolarHBondContact O-N 3.36Å | ||
| 121 | N | 62.1 | Low | 56.7 | Low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | trans | -68.2 | 81.5 | 173.2 | -172.4 | -21.2 | 0 | 0 | 0 | 105.4 | P119 G123 | P119-N121 PolarHBondContact O-N 3.26Å; N121-G123 PolarHBondContact O-N 3.3Å | ||
| 122 | R | 59.5 | Low | 56 | Low | 231 Ų | 231 | 139.6 Ų | 139.6 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | -67.8 | 89.1 | 170.4 | -148.1 | -179.5 | 172 | 109.2 | -1.5 | 103.6 | E120 | E120-R122 PolarHBondContact O-N 3.36Š| ||
| 123 | G | 52.5 | Low | 55.1 | Low | 60 Ų | 60 | 139 Ų | 139 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | trans | -46.2 | 141.1 | -162.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N121 | N121-G123 PolarHBondContact O-N 3.3Š| ||
| 124 | G | 48 | Very low | 54.6 | Low | 58 Ų | 58 | 133.1 Ų | 133.1 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | trans | 55.2 | 102 | 152.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q126 | G124-Q126 VanDerWaalsContact C-N 3.27Å; G124-Q126 PolarHBondContact O-N 3.01Å | ||
| 125 | F | 50.9 | Low | 53.4 | Low | 192 Ų | 192 | 138 Ų | 138 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | trans | -44.4 | 97 | 147.1 | 177.5 | -108.9 | 0 | 0 | 0 | 109.3 | G127 | F125-G127 VanDerWaalsContact CE1-CA 3.41Å; F125-G127 WeakPolarHBondContact CE1-O 3.04Å; F125-G127 PolarHBondContact O-N 3.19Å | ||
| 126 | Q | 56.5 | Low | 52.7 | Low | 205 Ų | 205 | 137.6 Ų | 137.6 | 96% | 0.958 | 75% | 0.749 | S | S | * | * | trans | -76.8 | 64.3 | 165 | -67.1 | -131.4 | -36.9 | 0 | 0 | 107.6 | G124 | G124-Q126 VanDerWaalsContact C-N 3.27Å; G124-Q126 PolarHBondContact O-N 3.01Å | ||
| 127 | G | 47.3 | Very low | 51.9 | Low | 25 Ų | 25 | 134.6 Ų | 134.6 | 26% | 0.258 | 75% | 0.746 | S | S | . | * | trans | -125.4 | 78.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | F125 | F125-G127 VanDerWaalsContact CE1-CA 3.41Å; F125-G127 WeakPolarHBondContact CE1-O 3.04Å; F125-G127 PolarHBondContact O-N 3.19Å | ||
| 128 | F | 33.3 | Very low | 51.4 | Low | 215 Ų | 215 | 134.7 Ų | 134.7 | 94% | 0.943 | 75% | 0.749 | S | S | * | * | trans | -155.1 | 98.9 | 159.4 | -109 | -87.3 | 0 | 0 | 0 | 102.2 | ||||
| 129 | G | 40.2 | Very low | 50.5 | Low | 61 Ų | 61 | 136.7 Ų | 136.7 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | cis | 118.4 | 111.2 | 30.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 130 | F | 35 | Very low | 49.7 | Very low | 221 Ų | 221 | 135.7 Ų | 135.7 | 97% | 0.969 | 76% | 0.76 | S | S | * | * | trans | -163.6 | 112.3 | 152.8 | -97.9 | -74.3 | 0 | 0 | 0 | 109.6 | ||||
| 131 | G | 38.5 | Very low | 49 | Very low | 76 Ų | 76 | 136.5 Ų | 136.5 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | 72.9 | 93.3 | 144.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 132 | D | 44.8 | Very low | 48.4 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 92% | 0.92 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 65.7 | 101.2 | 136.4 | -144.1 | 9.5 | 0 | 0 | 0 | 119.4 | ||
| 133 | G | 48.9 | Very low | 48.1 | Very low | 59 Ų | 59 | 126.5 Ų | 126.5 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | trans | 92.1 | 83.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | F135 | G133-F135 WeakPolarHBondContact O-CE1 3.41Š| ||
| 134 | G | 52.9 | Low | 47.7 | Very low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | trans | 74.1 | 164.6 | 151 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 135 | F | 44.2 | Very low | 48.1 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 63.1 | 96.3 | 176.2 | 57.8 | -89.8 | 0 | 0 | 0 | 118.4 | G133 M137 | G133-F135 WeakPolarHBondContact O-CE1 3.41Å; F135-M137 HydrophobicContact CB-CE 4.22Å; F135-M137 HydrophobicContact CD2-CE 3.78Å; F135-M137 HydrophobicContact CD2-CG 4.08Å; F135-M137 HydrophobicContact CG-CE 4.2Å; F135-M137 PolarHBondContact O-N 3.27Å | ||
| 136 | Q | 51.2 | Low | 48.2 | Very low | 190 Ų | 190 | 131.6 Ų | 131.6 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -73.8 | 109.5 | 161.2 | 64 | -167.3 | 3.7 | 0 | 0 | 110 | ||||
| 137 | M | 49.6 | Very low | 47.9 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | trans | -101.4 | 92.9 | 175.7 | -61.8 | -84.7 | -171.4 | 0 | 0 | 108.4 | F135 F139 | F135-M137 HydrophobicContact CB-CE 4.22Å; F135-M137 HydrophobicContact CD2-CE 3.78Å; F135-M137 HydrophobicContact CD2-CG 4.08Å; F135-M137 HydrophobicContact CG-CE 4.2Å; F135-M137 PolarHBondContact O-N 3.27Å; M137-F139 PolarHBondContact O-N 2.85Å | ||
| 138 | S | 55.4 | Low | 48.3 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -75 | 106.1 | 172.6 | -58.1 | 0 | 0 | 0 | 0 | 109.8 | G140 | S138-G140 VanDerWaalsContact C-N 3.33Å; S138-G140 PolarHBondContact O-N 2.9Å | ||
| 139 | F | 55.2 | Low | 48.9 | Very low | 219 Ų | 219 | 125.4 Ų | 125.4 | 96% | 0.961 | 74% | 0.737 | S | S | * | * | trans | -70.9 | 86 | 169.1 | -98.5 | -98 | 0 | 0 | 0 | 109.8 | M137 | M137-F139 PolarHBondContact O-N 2.85Š| ||
| 140 | G | 50.8 | Low | 49.3 | Very low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -164.5 | 94.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | S138 | S138-G140 VanDerWaalsContact C-N 3.33Å; S138-G140 PolarHBondContact O-N 2.9Å |
| 141 | I | 51.9 | Low | 50.1 | Low | 185 Ų | 185 | 120 Ų | 120 | 95% | 0.949 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 54.7 | 76.6 | 169 | -48 | 170.7 | 0 | 0 | 0 | 114.3 | ||
| 142 | G | 49.3 | Very low | 50.8 | Low | 61 Ų | 61 | 119.4 Ų | 119.4 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | trans | -175 | 14.7 | 173 | 0 | 0 | 0 | 0 | 0 | 117.1 | F144 | G142-F144 PolarHBondContact O-N 3.33Š| ||
| 143 | A | 52.6 | Low | 51.1 | Low | 105 Ų | 105 | 119.5 Ų | 119.5 | 87% | 0.868 | 70% | 0.699 | S | S | * | * | trans | -85.1 | 49.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 144 | F | 45.8 | Very low | 51.2 | Low | 158 Ų | 158 | 122 Ų | 122 | 69% | 0.693 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -134.4 | 138.3 | 170.3 | -117.4 | -99.6 | 0 | 0 | 0 | 108.8 | G142 F146 G147 | G142-F144 PolarHBondContact O-N 3.33Å; F144-F146 HydrophobicContact CD1-CD2 4.45Å; F144-F146 PolarHBondContact O-N 2.87Å; F144-G147 PolarHBondContact O-N 2.99Å |
| 145 | P | 56 | Low | 51.1 | Low | 105 Ų | 105 | 125.7 Ų | 125.7 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -2.4 | -170.5 | 23 | -34.2 | 0 | 0 | 0 | 115.5 | ||
| 146 | F | 52.2 | Low | 51.2 | Low | 155 Ų | 155 | 124.7 Ų | 124.7 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -3.6 | 176.7 | -55.9 | -73.6 | 0 | 0 | 0 | 114.3 | F144 I148 F149 | F144-F146 HydrophobicContact CD1-CD2 4.45Å; F144-F146 PolarHBondContact O-N 2.87Å; F146-I148 PolarHBondContact O-N 3.18Å; F146-I148 VanDerWaalsContact O-N 3.15Å; F146-F149 PolarHBondContact O-N 3.46Å |
| 147 | G | 50.9 | Low | 51 | Low | 35 Ų | 35 | 121.4 Ų | 121.4 | 36% | 0.361 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -69.6 | -6.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F144 T151 | F144-G147 PolarHBondContact O-N 2.99Å; G147-T151 PolarHBondContact O-OG1 3.16Å |
| 148 | I | 55.7 | Low | 50.9 | Low | 130 Ų | 130 | 117.9 Ų | 117.9 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -83.5 | -21 | -180 | -47.8 | -170.8 | 0 | 0 | 0 | 111.4 | F146 T151 | F146-I148 PolarHBondContact O-N 3.18Å; F146-I148 VanDerWaalsContact O-N 3.15Å; I148-T151 PolarHBondContact O-OG1 3.02Å |
| 149 | F | 46.5 | Very low | 50.8 | Low | 149 Ų | 149 | 123.6 Ų | 123.6 | 65% | 0.654 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -83.2 | -26 | 178.3 | -76.4 | -81.1 | 0 | 0 | 0 | 113.6 | F146 | F146-F149 PolarHBondContact O-N 3.46Å |
| 150 | A | 47.7 | Very low | 50.9 | Low | 82 Ų | 82 | 117.8 Ų | 117.8 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.3 | -25.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 151 | T | 51 | Low | 51.3 | Low | 87 Ų | 87 | 119.8 Ų | 119.8 | 53% | 0.534 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -84.2 | -27.7 | 178.1 | 25.1 | 0 | 0 | 0 | 0 | 113 | G147 I148 F153 I155 | G147-T151 PolarHBondContact O-OG1 3.16Å; I148-T151 PolarHBondContact O-OG1 3.02Å; T151-F153 PolarHBondContact O-N 3.03Å; T151-I155 WeakPolarHBondContact O-CD1 3.32Å; T151-I155 WeakPolarHBondContact O-CG1 3.35Å |
| 152 | A | 54.7 | Low | 51.6 | Low | 64 Ų | 64 | 116.7 Ų | 116.7 | 53% | 0.529 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -75.5 | -20.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 153 | F | 50.6 | Low | 52.1 | Low | 173 Ų | 173 | 115.6 Ų | 115.6 | 76% | 0.759 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 8.8 | -178.5 | -68.5 | -73.4 | 0 | 0 | 0 | 114.8 | T151 | T151-F153 PolarHBondContact O-N 3.03Š|
| 154 | N | 50.3 | Low | 52.8 | Low | 111 Ų | 111 | 115.2 Ų | 115.2 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | trans | -149 | 51.2 | 175.6 | -135.9 | -89.8 | 0 | 0 | 0 | 113.1 | ||||
| 155 | I | 51.2 | Low | 53.4 | Low | 145 Ų | 145 | 112.7 Ų | 112.7 | 74% | 0.744 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -87.5 | 4.7 | 178.2 | -90 | 159.1 | 0 | 0 | 0 | 113.8 | T151 | T151-I155 WeakPolarHBondContact O-CD1 3.32Å; T151-I155 WeakPolarHBondContact O-CG1 3.35Å |
| 156 | N | 46.5 | Very low | 54 | Low | 145 Ų | 145 | 111.5 Ų | 111.5 | 78% | 0.775 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -114.2 | -18.1 | 179.6 | -164.6 | 72.5 | 0 | 0 | 0 | 116.5 | ||
| 157 | D | 47.5 | Very low | 55 | Low | 122 Ų | 122 | 106.6 Ų | 106.6 | 65% | 0.652 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -103.8 | 96.6 | 178.4 | -72.2 | -61.2 | 0 | 0 | 0 | 109.8 | R159 | D157-R159 PolarHBondContact O-N 3.45Å; D157-R159 VanDerWaalsContact O-N 3.11Å |
| 158 | G | 46.7 | Very low | 56 | Low | 70 Ų | 70 | 109.4 Ų | 109.4 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 121.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P160 | G158-P160 VanDerWaalsContact O-CD 3.31Å; G158-P160 WeakPolarHBondContact O-CD 3.49Å |
| 159 | R | 54.1 | Low | 56.5 | Low | 233 Ų | 233 | 109.2 Ų | 109.2 | 88% | 0.879 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 116 | 177.3 | -177.3 | 177 | -176.4 | 139.5 | 1.1 | 108.9 | D157 | D157-R159 PolarHBondContact O-N 3.45Å; D157-R159 VanDerWaalsContact O-N 3.11Å |
| 160 | P | 57.8 | Low | 57.9 | Low | 98 Ų | 98 | 106 Ų | 106 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 141.7 | 176.4 | 21 | -29 | 0 | 0 | 0 | 108.7 | G158 | G158-P160 VanDerWaalsContact O-CD 3.31Å; G158-P160 WeakPolarHBondContact O-CD 3.49Å |
| 161 | P | 58.2 | Low | 59.3 | Low | 102 Ų | 102 | 106.1 Ų | 106.1 | 66% | 0.662 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 148.7 | 176.4 | 24.6 | -33 | 0 | 0 | 0 | 109.6 | A163 | P161-A163 PolarHBondContact O-N 3.06Š|
| 162 | P | 58.8 | Low | 60.6 | Low | 121 Ų | 121 | 106.1 Ų | 106.1 | 79% | 0.786 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -52 | 128.2 | 179.2 | 22 | -32.5 | 0 | 0 | 0 | 109.9 | V164 | P162-V164 PolarHBondContact O-N 3.25Š|
| 163 | A | 60.4 | Low | 61.6 | Low | 37 Ų | 37 | 108.3 Ų | 108.3 | 31% | 0.306 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -57 | 125.9 | -174 | 0 | 0 | 0 | 0 | 0 | 111 | P161 Y170 | P161-A163 PolarHBondContact O-N 3.06Å; A163-Y170 HydrophobicContact CB-CD2 4Å; A163-Y170 HydrophobicContact CB-CG 4.48Å |
| 164 | V | 65.4 | Low | 62.9 | Low | 97 Ų | 97 | 103.5 Ų | 103.5 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 131.4 | -179.7 | -177 | 0 | 0 | 0 | 0 | 109 | P162 G166 T167 | P162-V164 PolarHBondContact O-N 3.25Å; V164-G166 PolarHBondContact O-N 2.85Å; V164-T167 HydrophobicContact CB-CG2 4.3Å; V164-T167 PolarHBondContact O-N 2.89Å; V164-T167 PolarHBondContact O-OG1 2.92Å |
| 165 | P | 59.6 | Low | 64.6 | Low | 106 Ų | 106 | 104.8 Ų | 104.8 | 69% | 0.688 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 125.4 | 178.6 | -25.6 | 33.8 | 0 | 0 | 0 | 111.7 | ||
| 166 | G | 67.6 | Low | 66.3 | Low | 79 Ų | 79 | 102.4 Ų | 102.4 | 81% | 0.814 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.9 | -2.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | V164 | V164-G166 PolarHBondContact O-N 2.85Š|
| 167 | T | 74.1 | Confident | 68 | Low | 52 Ų | 52 | 98.3 Ų | 98.3 | 32% | 0.319 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -85.8 | 149 | 170.5 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | V164 Q169 Y170 | V164-T167 HydrophobicContact CB-CG2 4.3Å; V164-T167 PolarHBondContact O-N 2.89Å; V164-T167 PolarHBondContact O-OG1 2.92Å; T167-Q169 PolarHBondContact O-N 3.24Å; T167-Y170 WeakPolarHBondContact O-CB 3.46Å; T167-Y170 PolarHBondContact O-N 3.02Å |
| 168 | P | 72.3 | Confident | 69.8 | Low | 94 Ų | 94 | 101.4 Ų | 101.4 | 61% | 0.61 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.8 | -28.3 | 175.7 | 21.7 | -32.1 | 0 | 0 | 0 | 112.7 | Y170 V171 D172 | P168-Y170 VanDerWaalsContact C-N 3.3Å; P168-Y170 PolarHBondContact O-N 3.44Å; P168-V171 WeakPolarHBondContact O-CG2 3.44Å; P168-V171 PolarHBondContact O-N 3.35Å; P168-D172 PolarHBondContact O-N 2.85Å |
| 169 | Q | 65.4 | Low | 72 | Confident | 126 Ų | 126 | 102 Ų | 102 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.6 | -35.8 | 174.4 | -62.5 | -73.5 | -63.3 | 0 | 0 | 112.3 | T167 E173 | T167-Q169 PolarHBondContact O-N 3.24Å; Q169-E173 WeakPolarHBondContact O-CB 3.48Å; Q169-E173 WeakPolarHBondContact O-CG 3.28Å; Q169-E173 PolarHBondContact O-N 3.06Å |
| 170 | Y | 75.6 | Confident | 73.7 | Confident | 82 Ų | 82 | 98.2 Ų | 98.2 | 32% | 0.322 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 178.4 | -179.6 | -97 | 0 | 0 | 0 | 112.5 | A163 T167 P168 Q174 | A163-Y170 HydrophobicContact CB-CD2 4Å; A163-Y170 HydrophobicContact CB-CG 4.48Å; T167-Y170 WeakPolarHBondContact O-CB 3.46Å; T167-Y170 PolarHBondContact O-N 3.02Å; P168-Y170 VanDerWaalsContact C-N 3.3Å; P168-Y170 PolarHBondContact O-N 3.44Å; Y170-Q174 HydrophobicContact CD1-CG 4.33Å; Y170-Q174 HydrophobicContact CE1-CG 4.02Å; Y170-Q174 WeakPolarHBondContact O-CB 3.45Å; Y170-Q174 WeakPolarHBondContact O-CG 3.49Å; Y170-Q174 PolarHBondContact O-N 3.19Å; Y170-Q174 PolarHBondContact OH-NE2 2.84Å |
| 171 | V | 77 | Confident | 75.3 | Confident | 85 Ų | 85 | 98.9 Ų | 98.9 | 52% | 0.515 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.9 | -35.8 | 179.5 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | P168 Q174 F175 | P168-V171 WeakPolarHBondContact O-CG2 3.44Å; P168-V171 PolarHBondContact O-N 3.35Å; V171-Q174 PolarHBondContact O-N 2.69Å; V171-F175 WeakPolarHBondContact O-CB 3.42Å; V171-F175 PolarHBondContact O-N 2.97Å |
| 172 | D | 78.7 | Confident | 77 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 47% | 0.465 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 175.4 | -66.1 | -28.8 | 0 | 0 | 0 | 111.1 | P168 Q174 F175 L176 | P168-D172 PolarHBondContact O-N 2.85Å; D172-Q174 PolarHBondContact O-N 2.8Å; D172-F175 WeakPolarHBondContact O-CB 3.34Å; D172-F175 PolarHBondContact O-N 3.41Å; D172-L176 WeakPolarHBondContact O-CB 3.34Å; D172-L176 VanDerWaalsContact O-CG 3.32Å; D172-L176 WeakPolarHBondContact O-CG 3.37Å; D172-L176 PolarHBondContact O-N 2.89Å |
| 173 | E | 74.9 | Confident | 78.6 | Confident | 109 Ų | 109 | 98 Ų | 98 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 175.8 | -70.7 | -71.8 | 143.9 | 0 | 0 | 112.6 | Q169 S177 | Q169-E173 WeakPolarHBondContact O-CB 3.48Å; Q169-E173 WeakPolarHBondContact O-CG 3.28Å; Q169-E173 PolarHBondContact O-N 3.06Å; E173-S177 WeakPolarHBondContact O-CB 3.34Å; E173-S177 PolarHBondContact O-N 2.94Å; E173-S177 PolarHBondContact O-OG 3.4Å |
| 174 | Q | 79.3 | Confident | 80.1 | Confident | 73 Ų | 73 | 98 Ų | 98 | 34% | 0.341 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -36.1 | 173.6 | -77.7 | -163.7 | -22.9 | 0 | 0 | 112.7 | Y170 V171 D172 S177 R178 | Y170-Q174 HydrophobicContact CD1-CG 4.33Å; Y170-Q174 HydrophobicContact CE1-CG 4.02Å; Y170-Q174 WeakPolarHBondContact O-CB 3.45Å; Y170-Q174 WeakPolarHBondContact O-CG 3.49Å; Y170-Q174 PolarHBondContact O-N 3.19Å; Y170-Q174 PolarHBondContact OH-NE2 2.84Å; V171-Q174 PolarHBondContact O-N 2.69Å; D172-Q174 PolarHBondContact O-N 2.8Å; Q174-S177 WeakPolarHBondContact CA-OG 3.38Å; Q174-S177 PolarHBondContact O-OG 3.37Å; Q174-R178 WeakPolarHBondContact O-CB 3.16Å; Q174-R178 VanDerWaalsContact O-CG 3.28Å; Q174-R178 WeakPolarHBondContact O-CG 3.32Å; Q174-R178 PolarHBondContact O-N 2.91Å; Q174-R178 VanDerWaalsContact O-N 3.16Å |
| 175 | F | 86.1 | Confident | 81.5 | Confident | 137 Ų | 137 | 99.2 Ų | 99.2 | 60% | 0.601 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.2 | -47 | 175.9 | -178.6 | -98.4 | 0 | 0 | 0 | 111.1 | V171 D172 R178 L179 | V171-F175 WeakPolarHBondContact O-CB 3.42Å; V171-F175 PolarHBondContact O-N 2.97Å; D172-F175 WeakPolarHBondContact O-CB 3.34Å; D172-F175 PolarHBondContact O-N 3.41Å; F175-R178 PolarHBondContact O-N 2.94Å; F175-L179 HydrophobicContact CE1-CD2 4.36Å; F175-L179 WeakPolarHBondContact O-CB 3.49Å; F175-L179 PolarHBondContact O-N 3.46Å |
| 176 | L | 85.8 | Confident | 83.1 | Confident | 95 Ų | 95 | 97.8 Ų | 97.8 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 178.8 | -71.3 | 171.1 | 0 | 0 | 0 | 112.2 | D172 L179 F180 | D172-L176 WeakPolarHBondContact O-CB 3.34Å; D172-L176 VanDerWaalsContact O-CG 3.32Å; D172-L176 WeakPolarHBondContact O-CG 3.37Å; D172-L176 PolarHBondContact O-N 2.89Å; L176-L179 PolarHBondContact O-N 2.97Å; L176-F180 VanDerWaalsContact O-CB 3.29Å; L176-F180 WeakPolarHBondContact O-CB 3.28Å; L176-F180 PolarHBondContact O-N 3.27Å |
| 177 | S | 82.1 | Confident | 84.4 | Confident | 60 Ų | 60 | 98.3 Ų | 98.3 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.4 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | E173 Q174 L181 | E173-S177 WeakPolarHBondContact O-CB 3.34Å; E173-S177 PolarHBondContact O-N 2.94Å; E173-S177 PolarHBondContact O-OG 3.4Å; Q174-S177 WeakPolarHBondContact CA-OG 3.38Å; Q174-S177 PolarHBondContact O-OG 3.37Å; S177-L181 WeakPolarHBondContact O-CB 3.29Å; S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 3.44Å |
| 178 | R | 86.1 | Confident | 85.2 | Confident | 187 Ų | 187 | 101.6 Ų | 101.6 | 71% | 0.706 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66 | -41.7 | 174.3 | -74.2 | 179.3 | -178.9 | -159.7 | 2.3 | 112.3 | Q174 F175 F182 | Q174-R178 WeakPolarHBondContact O-CB 3.16Å; Q174-R178 VanDerWaalsContact O-CG 3.28Å; Q174-R178 WeakPolarHBondContact O-CG 3.32Å; Q174-R178 PolarHBondContact O-N 2.91Å; Q174-R178 VanDerWaalsContact O-N 3.16Å; F175-R178 PolarHBondContact O-N 2.94Å; R178-F182 WeakPolarHBondContact O-CB 3.33Å; R178-F182 PolarHBondContact O-N 3.24Å |
| 179 | L | 92.3 | Very high | 86.3 | Confident | 83 Ų | 83 | 103.8 Ų | 103.8 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 177.6 | -176.8 | 69.4 | 0 | 0 | 0 | 111.2 | F175 L176 F182 V183 | F175-L179 HydrophobicContact CE1-CD2 4.36Å; F175-L179 WeakPolarHBondContact O-CB 3.49Å; F175-L179 PolarHBondContact O-N 3.46Å; L176-L179 PolarHBondContact O-N 2.97Å; L179-F182 PolarHBondContact O-N 2.91Å; L179-V183 WeakPolarHBondContact O-CG2 3.18Å; L179-V183 PolarHBondContact O-N 2.87Å |
| 180 | F | 91.1 | Very high | 87.7 | Confident | 152 Ų | 152 | 106.3 Ų | 106.3 | 67% | 0.667 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 179.2 | -176.4 | -98.9 | 0 | 0 | 0 | 111.8 | L176 F182 V183 A184 | L176-F180 VanDerWaalsContact O-CB 3.29Å; L176-F180 WeakPolarHBondContact O-CB 3.28Å; L176-F180 PolarHBondContact O-N 3.27Å; F180-F182 VanDerWaalsContact C-N 3.32Å; F180-F182 PolarHBondContact O-N 3.44Å; F180-V183 PolarHBondContact O-N 3.11Å; F180-A184 VanDerWaalsContact O-CB 3.3Å; F180-A184 WeakPolarHBondContact O-CB 3.38Å; F180-A184 PolarHBondContact O-N 2.77Å |
| 181 | L | 89.8 | Confident | 88.4 | Confident | 112 Ų | 112 | 107.3 Ų | 107.3 | 59% | 0.586 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 174.8 | -73.7 | 175.8 | 0 | 0 | 0 | 112 | S177 A184 L185 | S177-L181 WeakPolarHBondContact O-CB 3.29Å; S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 3.44Å; L181-A184 PolarHBondContact O-N 3Å; L181-L185 VanDerWaalsContact O-CG 3.28Å; L181-L185 WeakPolarHBondContact O-CG 3.46Å; L181-L185 PolarHBondContact O-N 3.46Å |
| 182 | F | 93.9 | Very high | 88.9 | Confident | 137 Ų | 137 | 110 Ų | 110 | 60% | 0.601 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.2 | -48 | 176.8 | -178.6 | -97.8 | 0 | 0 | 0 | 111.9 | R178 L179 F180 A184 L185 V186 | R178-F182 WeakPolarHBondContact O-CB 3.33Å; R178-F182 PolarHBondContact O-N 3.24Å; L179-F182 PolarHBondContact O-N 2.91Å; F180-F182 VanDerWaalsContact C-N 3.32Å; F180-F182 PolarHBondContact O-N 3.44Å; F182-A184 VanDerWaalsContact C-N 3.32Å; F182-A184 PolarHBondContact O-N 2.91Å; F182-L185 PolarHBondContact O-N 3.32Å; F182-V186 HydrophobicContact CD1-CG2 4.3Å; F182-V186 HydrophobicContact CE1-CG2 3.93Å; F182-V186 HydrophobicContact CZ-CG2 4.08Å; F182-V186 WeakPolarHBondContact O-CG2 3.37Å; F182-V186 PolarHBondContact O-N 3.1Å |
| 183 | V | 93.8 | Very high | 89.2 | Confident | 68 Ų | 68 | 111.6 Ų | 111.6 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 177 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L179 F180 L185 V186 I187 | L179-V183 WeakPolarHBondContact O-CG2 3.18Å; L179-V183 PolarHBondContact O-N 2.87Å; F180-V183 PolarHBondContact O-N 3.11Å; V183-L185 PolarHBondContact O-N 3.26Å; V183-V186 PolarHBondContact O-N 3.48Å; V183-I187 HydrophobicContact CG1-CD1 3.82Å; V183-I187 HydrophobicContact CG1-CG1 4.48Å; V183-I187 WeakPolarHBondContact O-CG1 3.27Å; V183-I187 PolarHBondContact O-N 3.46Å |
| 184 | A | 92 | Very high | 89.2 | Confident | 36 Ų | 36 | 112.1 Ų | 112.1 | 30% | 0.298 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.4 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F180 L181 F182 I187 M188 | F180-A184 VanDerWaalsContact O-CB 3.3Å; F180-A184 WeakPolarHBondContact O-CB 3.38Å; F180-A184 PolarHBondContact O-N 2.77Å; L181-A184 PolarHBondContact O-N 3Å; F182-A184 VanDerWaalsContact C-N 3.32Å; F182-A184 PolarHBondContact O-N 2.91Å; A184-I187 PolarHBondContact O-N 3.36Å; A184-M188 WeakPolarHBondContact O-CB 3.33Å; A184-M188 WeakPolarHBondContact O-CG 3.3Å; A184-M188 PolarHBondContact O-N 3.31Å |
| 185 | L | 93.2 | Very high | 89.7 | Confident | 123 Ų | 123 | 114.1 Ų | 114.1 | 64% | 0.644 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.4 | -39.4 | 176.2 | -71.6 | 174.7 | 0 | 0 | 0 | 112.3 | L181 F182 V183 M188 F189 | L181-L185 VanDerWaalsContact O-CG 3.28Å; L181-L185 WeakPolarHBondContact O-CG 3.46Å; L181-L185 PolarHBondContact O-N 3.46Å; F182-L185 PolarHBondContact O-N 3.32Å; V183-L185 PolarHBondContact O-N 3.26Å; L185-M188 PolarHBondContact O-N 3.22Å; L185-F189 VanDerWaalsContact O-CB 3.27Å; L185-F189 WeakPolarHBondContact O-CB 2.98Å; L185-F189 PolarHBondContact O-N 3.46Å |
| 186 | V | 94.6 | Very high | 89.9 | Confident | 76 Ų | 76 | 112.9 Ų | 112.9 | 46% | 0.461 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -43.7 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | F182 V183 F189 W190 | F182-V186 HydrophobicContact CD1-CG2 4.3Å; F182-V186 HydrophobicContact CE1-CG2 3.93Å; F182-V186 HydrophobicContact CZ-CG2 4.08Å; F182-V186 WeakPolarHBondContact O-CG2 3.37Å; F182-V186 PolarHBondContact O-N 3.1Å; V183-V186 PolarHBondContact O-N 3.48Å; V186-F189 PolarHBondContact O-N 3.07Å; V186-W190 WeakPolarHBondContact O-CB 3.43Å; V186-W190 PolarHBondContact O-N 2.93Å |
| 187 | I | 93.7 | Very high | 90.1 | Very high | 90 Ų | 90 | 113.9 Ų | 113.9 | 46% | 0.462 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.5 | -44.7 | 177.3 | -67.4 | 168 | 0 | 0 | 0 | 110.8 | V183 A184 F189 W190 L191 | V183-I187 HydrophobicContact CG1-CD1 3.82Å; V183-I187 HydrophobicContact CG1-CG1 4.48Å; V183-I187 WeakPolarHBondContact O-CG1 3.27Å; V183-I187 PolarHBondContact O-N 3.46Å; A184-I187 PolarHBondContact O-N 3.36Å; I187-F189 VanDerWaalsContact C-N 3.34Å; I187-F189 PolarHBondContact O-N 3.46Å; I187-W190 PolarHBondContact O-N 3.24Å; I187-L191 HydrophobicContact CG2-CD1 4.1Å; I187-L191 HydrophobicContact CG2-CG 4.46Å; I187-L191 WeakPolarHBondContact O-CG 3.19Å; I187-L191 PolarHBondContact O-N 3.36Å |
| 188 | M | 91.9 | Very high | 90.6 | Very high | 121 Ų | 121 | 117.1 Ų | 117.1 | 60% | 0.596 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.1 | -40.5 | 178.2 | -73 | -72.6 | -81 | 0 | 0 | 112 | A184 L185 L191 L192 | A184-M188 WeakPolarHBondContact O-CB 3.33Å; A184-M188 WeakPolarHBondContact O-CG 3.3Å; A184-M188 PolarHBondContact O-N 3.31Å; L185-M188 PolarHBondContact O-N 3.22Å; M188-L191 PolarHBondContact O-N 3.19Å; M188-L192 WeakPolarHBondContact O-CB 3.14Å; M188-L192 PolarHBondContact O-N 3.37Å; M188-L192 VanDerWaalsContact O-N 3.1Å |
| 189 | F | 95.1 | Very high | 90.9 | Very high | 141 Ų | 141 | 112.7 Ų | 112.7 | 62% | 0.618 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66 | -40.8 | 175.4 | -178 | -104.2 | 0 | 0 | 0 | 111.8 | L185 V186 I187 L192 I193 | L185-F189 VanDerWaalsContact O-CB 3.27Å; L185-F189 WeakPolarHBondContact O-CB 2.98Å; L185-F189 PolarHBondContact O-N 3.46Å; V186-F189 PolarHBondContact O-N 3.07Å; I187-F189 VanDerWaalsContact C-N 3.34Å; I187-F189 PolarHBondContact O-N 3.46Å; F189-L192 PolarHBondContact O-N 2.97Å; F189-I193 HydrophobicContact CD1-CD1 3.78Å; F189-I193 HydrophobicContact CD2-CD1 3.97Å; F189-I193 HydrophobicContact CE1-CD1 3.28Å; F189-I193 HydrophobicContact CE2-CD1 3.49Å; F189-I193 VanDerWaalsContact CE2-CD1 3.49Å; F189-I193 HydrophobicContact CG-CD1 4.12Å; F189-I193 HydrophobicContact CZ-CD1 3.13Å; F189-I193 PolarHBondContact O-N 2.96Å |
| 190 | W | 94.2 | Very high | 90.8 | Very high | 178 Ų | 178 | 114.7 Ų | 114.7 | 67% | 0.674 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.9 | -43.3 | 176.2 | -169.9 | 75.6 | 0 | 0 | 0 | 112 | V186 I187 L192 I193 A194 | V186-W190 WeakPolarHBondContact O-CB 3.43Å; V186-W190 PolarHBondContact O-N 2.93Å; I187-W190 PolarHBondContact O-N 3.24Å; W190-L192 VanDerWaalsContact C-N 3.26Å; W190-L192 PolarHBondContact O-N 2.79Å; W190-I193 PolarHBondContact O-N 3.15Å; W190-A194 WeakPolarHBondContact O-CB 3.35Å; W190-A194 PolarHBondContact O-N 3.06Å |
| 191 | L | 90.2 | Very high | 90.8 | Very high | 104 Ų | 104 | 112 Ų | 112 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.8 | -19.5 | 175.4 | -70.6 | 176.4 | 0 | 0 | 0 | 114.3 | I187 M188 | I187-L191 HydrophobicContact CG2-CD1 4.1Å; I187-L191 HydrophobicContact CG2-CG 4.46Å; I187-L191 WeakPolarHBondContact O-CG 3.19Å; I187-L191 PolarHBondContact O-N 3.36Å; M188-L191 PolarHBondContact O-N 3.19Å |
| 192 | L | 87.4 | Confident | 90.8 | Very high | 142 Ų | 142 | 112 Ų | 112 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -84.9 | -18.1 | 177.1 | -105.5 | 160.9 | 0 | 0 | 0 | 113.2 | M188 F189 W190 | M188-L192 WeakPolarHBondContact O-CB 3.14Å; M188-L192 PolarHBondContact O-N 3.37Å; M188-L192 VanDerWaalsContact O-N 3.1Å; F189-L192 PolarHBondContact O-N 2.97Å; W190-L192 VanDerWaalsContact C-N 3.26Å; W190-L192 PolarHBondContact O-N 2.79Å |
| 193 | I | 86.4 | Confident | 90.6 | Very high | 119 Ų | 119 | 109.9 Ų | 109.9 | 61% | 0.61 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -107 | -23.4 | -176.5 | -71.7 | 165.8 | 0 | 0 | 0 | 112 | F189 W190 | F189-I193 HydrophobicContact CD1-CD1 3.78Å; F189-I193 HydrophobicContact CD2-CD1 3.97Å; F189-I193 HydrophobicContact CE1-CD1 3.28Å; F189-I193 HydrophobicContact CE2-CD1 3.49Å; F189-I193 VanDerWaalsContact CE2-CD1 3.49Å; F189-I193 HydrophobicContact CG-CD1 4.12Å; F189-I193 HydrophobicContact CZ-CD1 3.13Å; F189-I193 PolarHBondContact O-N 2.96Å; W190-I193 PolarHBondContact O-N 3.15Å |
| 194 | A | 74.4 | Confident | 90.3 | Very high | 121 Ų | 121 | 113.7 Ų | 113.7 | 100% | 1 | 61% | 0.605 | S | S | * | * | trans | -83.2 | 0 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W190 | W190-A194 WeakPolarHBondContact O-CB 3.35Å; W190-A194 PolarHBondContact O-N 3.06Å |
Retrieved 194 of 194 residues in 66 ms
(Link to these results)