| 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 | 40.6 | Very low | 48.8 | Very low | 254 Ų | 254 | 149.6 Ų | 149.6 | 100% | 1.251 | 87% | 0.866 | S | S | * | * | 0 | 157.3 | 0 | -67.4 | 174.9 | 178.5 | 0 | 0 | 108.2 | |||||
| 2 | A | 45.3 | Very low | 47.9 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | trans | -114.8 | 147.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3 | S | 55.1 | Low | 47.7 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 85% | 0.851 | S | S | * | * | trans | -160.1 | 121.8 | 131.7 | -169.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 4 | Q | 66.3 | Low | 47 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 87% | 0.869 | 85% | 0.846 | S | S | * | * | trans | -102.8 | 137.5 | 161.1 | -73.6 | -179.5 | -23.4 | 0 | 0 | 106.8 | ||||
| 5 | N | 50.7 | Low | 46.3 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 86% | 0.861 | 85% | 0.847 | S | S | * | * | trans | -132.9 | 129.5 | 157.1 | -113.8 | -16.9 | 0 | 0 | 0 | 109 | ||||
| 6 | R | 55.3 | Low | 46.3 | Very low | 221 Ų | 221 | 135.9 Ų | 135.9 | 83% | 0.834 | 84% | 0.842 | S | S | * | * | trans | -126.5 | 143.9 | 175.9 | -100.6 | -178.1 | 164.8 | 160.1 | -5.2 | 106.1 | ||||
| 7 | D | 42.6 | Very low | 46.2 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 89% | 0.893 | 85% | 0.847 | S | S | * | * | trans | -138.8 | 128.8 | 147.1 | -98.4 | -51.7 | 0 | 0 | 0 | 109.6 | ||||
| 8 | P | 57.9 | Low | 45.8 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 69% | 0.688 | 85% | 0.849 | S | S | * | * | trans | -106.8 | 131.7 | -178.8 | 36.4 | -29.1 | 0 | 0 | 0 | 113.7 | ||||
| 9 | A | 41.6 | Very low | 45.4 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | trans | 58.8 | 128.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 10 | A | 36.4 | Very low | 45.9 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 88% | 0.876 | 85% | 0.845 | S | S | * | * | trans | -136.1 | 116.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 11 | T | 45.2 | Very low | 46.1 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | trans | -87.7 | 158.1 | 171.7 | -20.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 12 | S | 38.1 | Very low | 46.9 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | cis | -169.4 | 147.4 | 35.4 | 49.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 13 | V | 44.9 | Very low | 47.4 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 81% | 0.806 | 83% | 0.827 | S | S | * | * | trans | 22.2 | 119.6 | 140.4 | -169.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 14 | A | 38.8 | Very low | 47 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | trans | 73.5 | 134.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 15 | A | 36.5 | Very low | 45.9 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | 154.9 | 151.1 | 125.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 16 | A | 46.3 | Very low | 45.9 | Very low | 93 Ų | 93 | 126 Ų | 126 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -95.9 | -179.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 17 | R | 44.3 | Very low | 46 | Very low | 246 Ų | 246 | 120.2 Ų | 120.2 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | -159.3 | 162.5 | 58.4 | -56.2 | -172.5 | -175.8 | -153.9 | -2.4 | 113.1 | |||||
| 18 | K | 38.2 | Very low | 46.5 | Very low | 203 Ų | 203 | 117.7 Ų | 117.7 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -102.8 | 151.5 | 170.9 | -176.5 | -171.2 | 169.1 | -171 | 0 | 110.8 | ||||
| 19 | G | 39.6 | Very low | 46.2 | Very low | 69 Ų | 69 | 115.1 Ų | 115.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -77.6 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 20 | A | 54.6 | Low | 46.7 | Very low | 108 Ų | 108 | 115.5 Ų | 115.5 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -108.2 | 179.5 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 21 | E | 50 | Low | 47.6 | Very low | 185 Ų | 185 | 115.3 Ų | 115.3 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -130.5 | 162 | -176.2 | -65.4 | -156.1 | 119.5 | 0 | 0 | 114.6 | ||||
| 22 | P | 57.2 | Low | 48.3 | Very low | 131 Ų | 131 | 110 Ų | 110 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | trans | -127.6 | 179.5 | 173.3 | 41.8 | -27.8 | 0 | 0 | 0 | 116.3 | ||||
| 23 | S | 55.5 | Low | 49.8 | Very low | 124 Ų | 124 | 108.2 Ų | 108.2 | 87% | 0.867 | 71% | 0.713 | S | S | * | * | trans | -161.7 | 164.3 | -180 | -172 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 24 | G | 47.6 | Very low | 50.5 | Low | 75 Ų | 75 | 108 Ų | 108 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | cis | 136.4 | 138.3 | -2.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 25 | G | 42.7 | Very low | 52 | Low | 84 Ų | 84 | 108.4 Ų | 108.4 | 87% | 0.866 | 69% | 0.686 | S | S | * | * | trans | 170.6 | 169.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 26 | A | 50.1 | Low | 53.2 | Low | 62 Ų | 62 | 108.9 Ų | 108.9 | 51% | 0.512 | 67% | 0.67 | S | S | . | * | trans | 178.1 | 146.9 | 153 | 0 | 0 | 0 | 0 | 0 | 109.9 | R28 K33 | A26-R28 PolarHBondContact O-N 2.96Å; A26-K33 HydrophobicContact CB-CD 4.27Å; A26-K33 HydrophobicContact CB-CG 4.3Å; A26-K33 VanDerWaalsContact CB-NZ 3.27Å; A26-K33 WeakPolarHBondContact O-CG 3.24Å; A26-K33 PolarHBondContact O-NZ 3.03Å | ||
| 27 | A | 58.1 | Low | 54.5 | Low | 99 Ų | 99 | 110.9 Ų | 110.9 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -64.9 | 88.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | K33 | A27-K33 PolarHBondContact O-NZ 3.45Š|
| 28 | R | 52.2 | Low | 55.6 | Low | 114 Ų | 114 | 103.8 Ų | 103.8 | 43% | 0.43 | 64% | 0.641 | S | S | . | * | S | Bend | -104.9 | -173.9 | 115.7 | -81.7 | 126.7 | 134.4 | 167.8 | 23.6 | 104.5 | A26 G32 K33 Q36 | A26-R28 PolarHBondContact O-N 2.96Å; R28-G32 VanDerWaalsContact CD-C 3.44Å; R28-G32 WeakPolarHBondContact CD-O 3.38Å; R28-G32 PolarHBondContact NE-O 3.35Å; R28-G32 PolarHBondContact NH1-O 2.91Å; R28-K33 HydrophobicContact CB-CG 4.28Å; R28-Q36 VanDerWaalsContact CZ-OE1 3.24Å; R28-Q36 VanDerWaalsContact NH2-CD 3.3Å | |
| 29 | G | 53 | Low | 57.3 | Low | 52 Ų | 52 | 98.6 Ų | 98.6 | 54% | 0.536 | 62% | 0.623 | S | S | . | * | trans | -52.9 | 139.3 | 146.2 | 0 | 0 | 0 | 0 | 0 | 108 | V31 G32 | G29-V31 PolarHBondContact O-N 3.46Å; G29-G32 PolarHBondContact O-N 3.34Å | ||
| 30 | P | 51.9 | Low | 58.8 | Low | 108 Ų | 108 | 102.3 Ų | 102.3 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -51.2 | -37.2 | -168.4 | 14.2 | -28.5 | 0 | 0 | 0 | 112.9 | G32 K33 R34 | P30-G32 VanDerWaalsContact C-N 3.3Å; P30-G32 PolarHBondContact O-N 2.92Å; P30-K33 PolarHBondContact O-N 3.3Å; P30-R34 PolarHBondContact O-N 3.23Å |
| 31 | V | 55.9 | Low | 59.4 | Low | 102 Ų | 102 | 101 Ų | 101 | 62% | 0.618 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -36.3 | -52.7 | 164.9 | -176.1 | 0 | 0 | 0 | 0 | 113.7 | G29 R34 L35 | G29-V31 PolarHBondContact O-N 3.46Å; V31-R34 PolarHBondContact O-N 2.96Å; V31-L35 VanDerWaalsContact O-CB 3.31Å; V31-L35 WeakPolarHBondContact O-CB 3.24Å; V31-L35 PolarHBondContact O-N 3.4Å |
| 32 | G | 58.8 | Low | 60.3 | Low | 20 Ų | 20 | 97.7 Ų | 97.7 | 21% | 0.206 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -74.8 | -26.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R28 G29 P30 | R28-G32 VanDerWaalsContact CD-C 3.44Å; R28-G32 WeakPolarHBondContact CD-O 3.38Å; R28-G32 PolarHBondContact NE-O 3.35Å; R28-G32 PolarHBondContact NH1-O 2.91Å; G29-G32 PolarHBondContact O-N 3.34Å; P30-G32 VanDerWaalsContact C-N 3.3Å; P30-G32 PolarHBondContact O-N 2.92Å |
| 33 | K | 69.9 | Low | 60.9 | Low | 65 Ų | 65 | 98.5 Ų | 98.5 | 28% | 0.283 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74 | -47.3 | 170.3 | -69.8 | -63.5 | 156.7 | 75.9 | 0 | 109.3 | A26 A27 R28 P30 L35 Q36 Q37 | A26-K33 HydrophobicContact CB-CD 4.27Å; A26-K33 HydrophobicContact CB-CG 4.3Å; A26-K33 VanDerWaalsContact CB-NZ 3.27Å; A26-K33 WeakPolarHBondContact O-CG 3.24Å; A26-K33 PolarHBondContact O-NZ 3.03Å; A27-K33 PolarHBondContact O-NZ 3.45Å; R28-K33 HydrophobicContact CB-CG 4.28Å; P30-K33 PolarHBondContact O-N 3.3Å; K33-L35 PolarHBondContact O-N 3.31Å; K33-Q36 PolarHBondContact O-N 3.31Å; K33-Q37 WeakPolarHBondContact O-CB 3.25Å; K33-Q37 PolarHBondContact O-N 3.28Å |
| 34 | R | 60.4 | Low | 61.4 | Low | 127 Ų | 127 | 94.8 Ų | 94.8 | 48% | 0.479 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -54.6 | -50.4 | 174.4 | -172.6 | 173.8 | 178.6 | -177.9 | 0.9 | 111.5 | P30 V31 Q36 Q37 E38 | P30-R34 PolarHBondContact O-N 3.23Å; V31-R34 PolarHBondContact O-N 2.96Å; R34-Q36 VanDerWaalsContact C-N 3.32Å; R34-Q36 PolarHBondContact O-N 3.48Å; R34-Q37 CarbonylContact O-C 3.54Å; R34-Q37 WeakPolarHBondContact O-CB 3.37Å; R34-Q37 PolarHBondContact O-N 3.47Å; R34-E38 HydrophobicContact CG-CG 3.78Å; R34-E38 IonicContact CZ-OE1 3.3Å; R34-E38 IonicContact NE-OE1 2.63Å; R34-E38 PolarHBondContact NE-OE1 2.95Å; R34-E38 IonicContact NH2-OE1 2.91Å; R34-E38 PolarHBondContact NH2-OE1 3.03Å; R34-E38 WeakPolarHBondContact O-CB 3.5Å; R34-E38 WeakPolarHBondContact O-CG 3.41Å; R34-E38 PolarHBondContact O-N 3.45Å |
| 35 | L | 69.3 | Low | 61.7 | Low | 106 Ų | 106 | 94.2 Ų | 94.2 | 56% | 0.555 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -56.4 | -42.2 | -179.5 | -179.9 | 60.7 | 0 | 0 | 0 | 113 | V31 K33 L39 | V31-L35 VanDerWaalsContact O-CB 3.31Å; V31-L35 WeakPolarHBondContact O-CB 3.24Å; V31-L35 PolarHBondContact O-N 3.4Å; K33-L35 PolarHBondContact O-N 3.31Å; L35-L39 HydrophobicContact CD1-CD1 4.16Å; L35-L39 HydrophobicContact CD1-CG 4.4Å; L35-L39 HydrophobicContact CG-CD1 4.13Å; L35-L39 WeakPolarHBondContact O-CB 3.25Å; L35-L39 WeakPolarHBondContact O-CD1 3.5Å; L35-L39 VanDerWaalsContact O-CG 3.23Å; L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 2.93Å |
| 36 | Q | 62.7 | Low | 62.4 | Low | 113 Ų | 113 | 92 Ų | 92 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -77.7 | -30.1 | 177.6 | -135.4 | -179.7 | 14.2 | 0 | 0 | 112.5 | R28 K33 R34 M40 | R28-Q36 VanDerWaalsContact CZ-OE1 3.24Å; R28-Q36 VanDerWaalsContact NH2-CD 3.3Å; K33-Q36 PolarHBondContact O-N 3.31Å; R34-Q36 VanDerWaalsContact C-N 3.32Å; R34-Q36 PolarHBondContact O-N 3.48Å; Q36-M40 WeakPolarHBondContact O-CB 3.34Å; Q36-M40 PolarHBondContact O-N 3.16Å |
| 37 | Q | 72 | Confident | 62.4 | Low | 135 Ų | 135 | 92.7 Ų | 92.7 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.8 | -43.8 | 172.3 | -173.9 | 171.9 | -6.1 | 0 | 0 | 111.4 | K33 R34 M40 T41 | K33-Q37 WeakPolarHBondContact O-CB 3.25Å; K33-Q37 PolarHBondContact O-N 3.28Å; R34-Q37 CarbonylContact O-C 3.54Å; R34-Q37 WeakPolarHBondContact O-CB 3.37Å; R34-Q37 PolarHBondContact O-N 3.47Å; Q37-M40 PolarHBondContact O-N 2.68Å; Q37-T41 WeakPolarHBondContact O-CB 3.29Å; Q37-T41 PolarHBondContact O-N 3.48Å; Q37-T41 PolarHBondContact O-OG1 3.32Å |
| 38 | E | 67.4 | Low | 62.2 | Low | 97 Ų | 97 | 93.3 Ų | 93.3 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.7 | -52.4 | 171.4 | -62.8 | -95.1 | 174.4 | 0 | 0 | 109.9 | R34 M40 T41 L42 | R34-E38 HydrophobicContact CG-CG 3.78Å; R34-E38 IonicContact CZ-OE1 3.3Å; R34-E38 IonicContact NE-OE1 2.63Å; R34-E38 PolarHBondContact NE-OE1 2.95Å; R34-E38 IonicContact NH2-OE1 2.91Å; R34-E38 PolarHBondContact NH2-OE1 3.03Å; R34-E38 WeakPolarHBondContact O-CB 3.5Å; R34-E38 WeakPolarHBondContact O-CG 3.41Å; R34-E38 PolarHBondContact O-N 3.45Å; E38-M40 PolarHBondContact O-N 3.37Å; E38-T41 PolarHBondContact O-N 2.93Å; E38-L42 WeakPolarHBondContact O-CB 3.21Å; E38-L42 PolarHBondContact O-N 3.39Å |
| 39 | L | 74.1 | Confident | 62.1 | Low | 95 Ų | 95 | 96.4 Ų | 96.4 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 177.7 | -74.4 | 167.5 | 0 | 0 | 0 | 112.9 | L35 L42 M43 | L35-L39 HydrophobicContact CD1-CD1 4.16Å; L35-L39 HydrophobicContact CD1-CG 4.4Å; L35-L39 HydrophobicContact CG-CD1 4.13Å; L35-L39 WeakPolarHBondContact O-CB 3.25Å; L35-L39 WeakPolarHBondContact O-CD1 3.5Å; L35-L39 VanDerWaalsContact O-CG 3.23Å; L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 2.93Å; L39-L42 PolarHBondContact O-N 3.43Å; L39-M43 VanDerWaalsContact O-CG 3.25Å; L39-M43 WeakPolarHBondContact O-CG 3.08Å; L39-M43 PolarHBondContact O-N 3.39Å |
| 40 | M | 71.3 | Confident | 62 | Low | 146 Ų | 146 | 97.9 Ų | 97.9 | 72% | 0.719 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.9 | -40.4 | 178.2 | -161.5 | 78.9 | 179.3 | 0 | 0 | 111.4 | Q36 Q37 E38 A44 | Q36-M40 WeakPolarHBondContact O-CB 3.34Å; Q36-M40 PolarHBondContact O-N 3.16Å; Q37-M40 PolarHBondContact O-N 2.68Å; E38-M40 PolarHBondContact O-N 3.37Å; M40-A44 WeakPolarHBondContact O-CB 3.48Å; M40-A44 PolarHBondContact O-N 2.81Å |
| 41 | T | 68.3 | Low | 62 | Low | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.4 | -34.3 | 177.5 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | Q37 E38 A44 V45 | Q37-T41 WeakPolarHBondContact O-CB 3.29Å; Q37-T41 PolarHBondContact O-N 3.48Å; Q37-T41 PolarHBondContact O-OG1 3.32Å; E38-T41 PolarHBondContact O-N 2.93Å; T41-A44 PolarHBondContact O-N 2.65Å; T41-V45 VanDerWaalsContact O-CB 3.29Å; T41-V45 WeakPolarHBondContact O-CB 3.3Å; T41-V45 WeakPolarHBondContact O-CG1 3.42Å; T41-V45 PolarHBondContact O-N 2.88Å |
| 42 | L | 68.4 | Low | 61.6 | Low | 115 Ų | 115 | 94.5 Ų | 94.5 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.2 | -38.5 | 176.9 | -172.7 | 137.8 | 0 | 0 | 0 | 111.4 | E38 L39 G46 | E38-L42 WeakPolarHBondContact O-CB 3.21Å; E38-L42 PolarHBondContact O-N 3.39Å; L39-L42 PolarHBondContact O-N 3.43Å; L42-G46 PolarHBondContact O-N 2.98Å |
| 43 | M | 69.3 | Low | 61.2 | Low | 147 Ų | 147 | 97 Ų | 97 | 72% | 0.724 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.9 | -43.2 | 170.4 | -67.4 | -70.6 | -78.9 | 0 | 0 | 111.6 | L39 G46 S47 | L39-M43 VanDerWaalsContact O-CG 3.25Å; L39-M43 WeakPolarHBondContact O-CG 3.08Å; L39-M43 PolarHBondContact O-N 3.39Å; M43-G46 PolarHBondContact O-N 2.77Å; M43-S47 PolarHBondContact O-N 3.39Å |
| 44 | A | 65.6 | Low | 60.4 | Low | 47 Ų | 47 | 98 Ų | 98 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -46.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M40 T41 G46 S47 I48 | M40-A44 WeakPolarHBondContact O-CB 3.48Å; M40-A44 PolarHBondContact O-N 2.81Å; T41-A44 PolarHBondContact O-N 2.65Å; A44-G46 VanDerWaalsContact C-N 3.28Å; A44-G46 PolarHBondContact O-N 3.44Å; A44-S47 WeakPolarHBondContact O-CB 3.12Å; A44-S47 PolarHBondContact O-N 2.73Å; A44-S47 VanDerWaalsContact O-N 3.16Å; A44-I48 WeakPolarHBondContact O-CG1 3.34Å; A44-I48 PolarHBondContact O-N 3.45Å |
| 45 | V | 54.6 | Low | 59.9 | Low | 63 Ų | 63 | 96.5 Ų | 96.5 | 38% | 0.382 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.9 | -25.2 | 176.6 | 85.4 | 0 | 0 | 0 | 0 | 111.7 | T41 S47 I48 R49 | T41-V45 VanDerWaalsContact O-CB 3.29Å; T41-V45 WeakPolarHBondContact O-CB 3.3Å; T41-V45 WeakPolarHBondContact O-CG1 3.42Å; T41-V45 PolarHBondContact O-N 2.88Å; V45-S47 VanDerWaalsContact C-N 3.3Å; V45-S47 PolarHBondContact O-N 3.3Å; V45-I48 PolarHBondContact O-N 3.5Å; V45-R49 HydrophobicContact CG2-CB 4.38Å; V45-R49 WeakPolarHBondContact O-CA 3.49Å; V45-R49 WeakPolarHBondContact O-CB 3.23Å; V45-R49 PolarHBondContact O-N 2.89Å |
| 46 | G | 56.8 | Low | 58.9 | Low | 36 Ų | 36 | 98.4 Ų | 98.4 | 37% | 0.371 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112 | L42 M43 A44 T50 | L42-G46 PolarHBondContact O-N 2.98Å; M43-G46 PolarHBondContact O-N 2.77Å; A44-G46 VanDerWaalsContact C-N 3.28Å; A44-G46 PolarHBondContact O-N 3.44Å; G46-T50 WeakPolarHBondContact O-CB 3.36Å; G46-T50 VanDerWaalsContact O-CG2 3.24Å; G46-T50 WeakPolarHBondContact O-CG2 3.18Å; G46-T50 PolarHBondContact O-N 2.91Å; G46-T50 PolarHBondContact O-OG1 2.87Å |
| 47 | S | 49.9 | Very low | 58.4 | Low | 78 Ų | 78 | 99.8 Ų | 99.8 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -74.1 | -47.7 | 174.1 | -173.7 | 0 | 0 | 0 | 0 | 112.7 | M43 A44 V45 R49 T50 S51 | M43-S47 PolarHBondContact O-N 3.39Å; A44-S47 WeakPolarHBondContact O-CB 3.12Å; A44-S47 PolarHBondContact O-N 2.73Å; A44-S47 VanDerWaalsContact O-N 3.16Å; V45-S47 VanDerWaalsContact C-N 3.3Å; V45-S47 PolarHBondContact O-N 3.3Å; S47-R49 PolarHBondContact O-N 2.84Å; S47-T50 PolarHBondContact O-OG1 3.04Å; S47-S51 VanDerWaalsContact O-CB 3.24Å; S47-S51 WeakPolarHBondContact O-CB 3.45Å; S47-S51 PolarHBondContact O-N 3.11Å |
| 48 | I | 55.1 | Low | 57.2 | Low | 112 Ų | 112 | 97.8 Ų | 97.8 | 57% | 0.574 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.8 | -41.4 | -176.2 | -64.7 | 163.3 | 0 | 0 | 0 | 111.8 | A44 V45 S52 | A44-I48 WeakPolarHBondContact O-CG1 3.34Å; A44-I48 PolarHBondContact O-N 3.45Å; V45-I48 PolarHBondContact O-N 3.5Å; I48-S52 WeakPolarHBondContact O-CB 3.48Å; I48-S52 PolarHBondContact O-N 2.8Å |
| 49 | R | 50.4 | Low | 56.4 | Low | 178 Ų | 178 | 96.1 Ų | 96.1 | 67% | 0.672 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -78.7 | -26.7 | -178 | -157.5 | -178.8 | 79 | -160.4 | 4.6 | 112.8 | V45 S47 T53 | V45-R49 HydrophobicContact CG2-CB 4.38Å; V45-R49 WeakPolarHBondContact O-CA 3.49Å; V45-R49 WeakPolarHBondContact O-CB 3.23Å; V45-R49 PolarHBondContact O-N 2.89Å; S47-R49 PolarHBondContact O-N 2.84Å; R49-T53 HydrophobicContact CG-CG2 4.49Å; R49-T53 WeakPolarHBondContact O-CB 3.22Å; R49-T53 VanDerWaalsContact O-CG2 3.3Å; R49-T53 WeakPolarHBondContact O-CG2 3.08Å; R49-T53 PolarHBondContact O-N 2.68Å; R49-T53 PolarHBondContact O-OG1 3.04Å |
| 50 | T | 50.9 | Low | 54.8 | Low | 83 Ų | 83 | 98.2 Ų | 98.2 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.9 | -52.1 | 168 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | G46 S47 S52 T53 V54 | G46-T50 WeakPolarHBondContact O-CB 3.36Å; G46-T50 VanDerWaalsContact O-CG2 3.24Å; G46-T50 WeakPolarHBondContact O-CG2 3.18Å; G46-T50 PolarHBondContact O-N 2.91Å; G46-T50 PolarHBondContact O-OG1 2.87Å; S47-T50 PolarHBondContact O-OG1 3.04Å; T50-S52 PolarHBondContact O-N 2.78Å; T50-T53 PolarHBondContact O-N 3.17Å; T50-T53 PolarHBondContact O-OG1 2.94Å; T50-V54 WeakPolarHBondContact O-CB 3.45Å; T50-V54 VanDerWaalsContact O-CG2 3.25Å; T50-V54 WeakPolarHBondContact O-CG2 3.06Å; T50-V54 PolarHBondContact O-N 3Å |
| 51 | S | 50.1 | Low | 53.3 | Low | 68 Ų | 68 | 101.2 Ų | 101.2 | 48% | 0.476 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -54.5 | -55.2 | 178 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | S47 T53 V54 C55 | S47-S51 VanDerWaalsContact O-CB 3.24Å; S47-S51 WeakPolarHBondContact O-CB 3.45Å; S47-S51 PolarHBondContact O-N 3.11Å; S51-T53 VanDerWaalsContact C-N 3.33Å; S51-T53 PolarHBondContact O-N 2.89Å; S51-V54 PolarHBondContact O-N 3.41Å; S51-C55 WeakPolarHBondContact O-CB 3.37Å; S51-C55 PolarHBondContact O-N 2.79Å; S51-C55 PolarHBondContact O-SG 2.73Å; S51-C55 VanDerWaalsContact O-SG 3.34Å |
| 52 | S | 48.5 | Very low | 52.1 | Low | 71 Ų | 71 | 103.8 Ų | 103.8 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.1 | -26.9 | -174.8 | -165.5 | 0 | 0 | 0 | 0 | 114 | I48 T50 L56 | I48-S52 WeakPolarHBondContact O-CB 3.48Å; I48-S52 PolarHBondContact O-N 2.8Å; T50-S52 PolarHBondContact O-N 2.78Å; S52-L56 WeakPolarHBondContact O-CG 3.5Å |
| 53 | T | 50.5 | Low | 50.4 | Low | 74 Ų | 74 | 105 Ų | 105 | 45% | 0.454 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -84.8 | -34.5 | 174.7 | 58.2 | 0 | 0 | 0 | 0 | 113 | R49 T50 S51 L57 | R49-T53 HydrophobicContact CG-CG2 4.49Å; R49-T53 WeakPolarHBondContact O-CB 3.22Å; R49-T53 VanDerWaalsContact O-CG2 3.3Å; R49-T53 WeakPolarHBondContact O-CG2 3.08Å; R49-T53 PolarHBondContact O-N 2.68Å; R49-T53 PolarHBondContact O-OG1 3.04Å; T50-T53 PolarHBondContact O-N 3.17Å; T50-T53 PolarHBondContact O-OG1 2.94Å; S51-T53 VanDerWaalsContact C-N 3.33Å; S51-T53 PolarHBondContact O-N 2.89Å; T53-L57 PolarHBondContact O-N 3.05Å |
| 54 | V | 52.8 | Low | 49.1 | Very low | 85 Ų | 85 | 107 Ų | 107 | 52% | 0.515 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.7 | -43.2 | 175.6 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | T50 S51 L56 L57 S58 | T50-V54 WeakPolarHBondContact O-CB 3.45Å; T50-V54 VanDerWaalsContact O-CG2 3.25Å; T50-V54 WeakPolarHBondContact O-CG2 3.06Å; T50-V54 PolarHBondContact O-N 3Å; S51-V54 PolarHBondContact O-N 3.41Å; V54-L56 PolarHBondContact O-N 2.91Å; V54-L57 CarbonylContact O-C 3.58Å; V54-L57 PolarHBondContact O-N 3.27Å; V54-S58 PolarHBondContact O-N 3.44Å |
| 55 | C | 50.3 | Low | 47.7 | Very low | 96 Ų | 96 | 112 Ų | 112 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.6 | -24.8 | 179.3 | -71.6 | 0 | 0 | 0 | 0 | 114.1 | S51 | S51-C55 WeakPolarHBondContact O-CB 3.37Å; S51-C55 PolarHBondContact O-N 2.79Å; S51-C55 PolarHBondContact O-SG 2.73Å; S51-C55 VanDerWaalsContact O-SG 3.34Å |
| 56 | L | 48.7 | Very low | 47.5 | Very low | 146 Ų | 146 | 113 Ų | 113 | 76% | 0.764 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -9.1 | 174.5 | -69 | 176.2 | 0 | 0 | 0 | 113.8 | S52 V54 | S52-L56 WeakPolarHBondContact O-CG 3.5Å; V54-L56 PolarHBondContact O-N 2.91Å |
| 57 | L | 51.3 | Low | 47.1 | Very low | 142 Ų | 142 | 116.5 Ų | 116.5 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -121.1 | 21.2 | -175.4 | -70.6 | 171.3 | 0 | 0 | 0 | 113.1 | T53 V54 | T53-L57 PolarHBondContact O-N 3.05Å; V54-L57 CarbonylContact O-C 3.58Å; V54-L57 PolarHBondContact O-N 3.27Å |
| 58 | S | 46.3 | Very low | 46.7 | Very low | 92 Ų | 92 | 122 Ų | 122 | 64% | 0.643 | 68% | 0.677 | S | S | * | * | trans | -142.7 | 62.9 | 177.1 | -70.7 | 0 | 0 | 0 | 0 | 111.7 | V54 | V54-S58 PolarHBondContact O-N 3.44Š| ||
| 59 | G | 50.3 | Low | 46 | Very low | 62 Ų | 62 | 122.4 Ų | 122.4 | 64% | 0.639 | 69% | 0.687 | S | S | * | * | trans | -81.7 | 164.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R61 | G59-R61 PolarHBondContact O-N 3.06Š| ||
| 60 | P | 42.2 | Very low | 46.1 | Very low | 139 Ų | 139 | 121.7 Ų | 121.7 | 90% | 0.903 | 70% | 0.696 | S | S | * | * | trans | -77 | 85.8 | -178.3 | 31.9 | -35.1 | 0 | 0 | 0 | 112.9 | ||||
| 61 | R | 38.7 | Very low | 46.1 | Very low | 209 Ų | 209 | 124.1 Ų | 124.1 | 79% | 0.789 | 71% | 0.71 | S | S | * | * | trans | 30.4 | 124.2 | 132.8 | -176.2 | 170.3 | -178.9 | -154.4 | -5.5 | 119.7 | G59 | G59-R61 PolarHBondContact O-N 3.06Š| ||
| 62 | E | 43 | Very low | 45.9 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | 81.3 | 99.9 | 158.5 | -55.4 | -95.4 | -171.8 | 0 | 0 | 119.8 | ||||
| 63 | T | 33.4 | Very low | 46.1 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | -139.9 | 125.5 | 118.3 | 41.9 | 0 | 0 | 0 | 0 | 110.9 | D65 | T63-D65 PolarHBondContact O-N 3.21Š| |||
| 64 | Q | 42.3 | Very low | 45.8 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -43.1 | 109.3 | 166.1 | 172.6 | -170.6 | -8 | 0 | 0 | 115.2 | ||||
| 65 | D | 36.4 | Very low | 45.8 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -167.1 | 163.8 | 130.2 | -168 | -138.2 | 0 | 0 | 0 | 111.9 | T63 | T63-D65 PolarHBondContact O-N 3.21Š| ||
| 66 | S | 49.5 | Very low | 45.7 | Very low | 84 Ų | 84 | 144.1 Ų | 144.1 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 20.2 | 135 | 157.4 | -165.1 | 0 | 0 | 0 | 0 | 122.2 | ||
| 67 | S | 49.2 | Very low | 46.1 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 71.3 | 105.6 | 156.5 | -58.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 68 | K | 41 | Very low | 46.4 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -86.4 | 130.3 | -178.6 | -51 | 171 | -174 | 175.5 | 0 | 112.5 | ||||
| 69 | P | 39.8 | Very low | 47.4 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -81.4 | 122.4 | 157.7 | 31.1 | -30.1 | 0 | 0 | 0 | 110.7 | V71 | P69-V71 PolarHBondContact O-N 2.78Š| ||
| 70 | L | 53.1 | Low | 48.2 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -85.1 | 101.4 | -179.9 | -70.5 | 166.4 | 0 | 0 | 0 | 111.6 | ||||
| 71 | V | 49.7 | Very low | 49.5 | Very low | 133 Ų | 133 | 147.1 Ų | 147.1 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | -151.8 | 24.6 | 164.2 | -103.8 | 0 | 0 | 0 | 0 | 114.5 | P69 | P69-V71 PolarHBondContact O-N 2.78Š| ||
| 72 | W | 47 | Very low | 50.7 | Low | 262 Ų | 262 | 141.9 Ų | 141.9 | 99% | 0.992 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -109.2 | 91.3 | 163.7 | -90 | 54.9 | 0 | 0 | 0 | 109.4 | ||
| 73 | G | 52 | Low | 52 | Low | 69 Ų | 69 | 141.2 Ų | 141.2 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | 129.8 | 102.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 74 | L | 45.1 | Very low | 53.5 | Low | 176 Ų | 176 | 140 Ų | 140 | 92% | 0.921 | 73% | 0.728 | S | S | * | * | trans | -168.4 | 150.9 | 132.3 | -99.8 | 162.1 | 0 | 0 | 0 | 107.4 | ||||
| 75 | G | 53.4 | Low | 54.7 | Low | 64 Ų | 64 | 134.4 Ų | 134.4 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | trans | -67.1 | 148.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D77 | G75-D77 VanDerWaalsContact C-N 3.32Å; G75-D77 PolarHBondContact O-N 2.77Å | ||
| 76 | W | 47.6 | Very low | 56.4 | Low | 243 Ų | 243 | 130.8 Ų | 130.8 | 92% | 0.92 | 69% | 0.687 | S | S | * | * | trans | -66.9 | 93.1 | 168.1 | -65.6 | 90.7 | 0 | 0 | 0 | 108.9 | M78 | W76-M78 PolarHBondContact O-N 3.25Š| ||
| 77 | D | 56.9 | Low | 57.3 | Low | 89 Ų | 89 | 131.9 Ų | 131.9 | 48% | 0.476 | 68% | 0.683 | S | S | . | * | trans | -56.8 | 133.1 | -179.8 | -166.3 | -45.9 | 0 | 0 | 0 | 110 | G75 R79 L80 L81 | G75-D77 VanDerWaalsContact C-N 3.32Å; G75-D77 PolarHBondContact O-N 2.77Å; D77-R79 PolarHBondContact O-N 3.43Å; D77-R79 WeakPolarHBondContact OD1-CB 3.31Å; D77-R79 PolarHBondContact OD1-N 3.37Å; D77-L80 HydrophobicContact CB-CD1 4.41Å; D77-L80 HydrophobicContact CB-CG 4.41Å; D77-L80 WeakPolarHBondContact O-CA 3.13Å; D77-L80 WeakPolarHBondContact O-CB 3.43Å; D77-L80 PolarHBondContact O-N 2.92Å; D77-L81 PolarHBondContact O-N 3.45Å; D77-L81 VanDerWaalsContact O-N 3.11Å | ||
| 78 | M | 57 | Low | 58.1 | Low | 152 Ų | 152 | 132.2 Ų | 132.2 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -54.6 | -26.4 | 175.5 | -72.3 | -67.4 | -175.8 | 0 | 0 | 111.9 | W76 L81 L82 | W76-M78 PolarHBondContact O-N 3.25Å; M78-L81 PolarHBondContact O-N 2.92Å; M78-L81 HydrophobicContact SD-CD2 4.35Å; M78-L82 WeakPolarHBondContact O-CB 3.08Å; M78-L82 PolarHBondContact O-N 2.87Å |
| 79 | R | 68.4 | Low | 59 | Low | 194 Ų | 194 | 129.1 Ų | 129.1 | 73% | 0.732 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71.5 | -33.1 | 175.1 | -153.4 | 165.8 | -170.3 | -106.6 | 3.8 | 112.8 | D77 E83 | D77-R79 PolarHBondContact O-N 3.43Å; D77-R79 WeakPolarHBondContact OD1-CB 3.31Å; D77-R79 PolarHBondContact OD1-N 3.37Å; R79-E83 WeakPolarHBondContact O-CB 3.22Å; R79-E83 WeakPolarHBondContact O-CG 3.36Å; R79-E83 PolarHBondContact O-N 3.48Å |
| 80 | L | 65.5 | Low | 59.9 | Low | 112 Ų | 112 | 128.1 Ų | 128.1 | 59% | 0.586 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.2 | -36.2 | 169.9 | -74.7 | 171.6 | 0 | 0 | 0 | 111.6 | D77 L84 | D77-L80 HydrophobicContact CB-CD1 4.41Å; D77-L80 HydrophobicContact CB-CG 4.41Å; D77-L80 WeakPolarHBondContact O-CA 3.13Å; D77-L80 WeakPolarHBondContact O-CB 3.43Å; D77-L80 PolarHBondContact O-N 2.92Å; L80-L84 WeakPolarHBondContact O-CB 3.44Å; L80-L84 PolarHBondContact O-N 2.79Å |
| 81 | L | 69.8 | Low | 59.9 | Low | 97 Ų | 97 | 126.5 Ų | 126.5 | 51% | 0.508 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67 | -38.1 | 172.7 | -174.6 | 63.5 | 0 | 0 | 0 | 111.5 | D77 M78 T85 | D77-L81 PolarHBondContact O-N 3.45Å; D77-L81 VanDerWaalsContact O-N 3.11Å; M78-L81 PolarHBondContact O-N 2.92Å; M78-L81 HydrophobicContact SD-CD2 4.35Å; L81-T85 WeakPolarHBondContact O-CB 3.17Å; L81-T85 WeakPolarHBondContact O-CG2 3.22Å; L81-T85 PolarHBondContact O-N 2.87Å; L81-T85 PolarHBondContact O-OG1 2.93Å |
| 82 | L | 65.6 | Low | 59.6 | Low | 99 Ų | 99 | 125.5 Ų | 125.5 | 52% | 0.518 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.2 | -44.8 | 176.3 | -176.7 | 60.8 | 0 | 0 | 0 | 111.8 | M78 L84 T85 L86 | M78-L82 WeakPolarHBondContact O-CB 3.08Å; M78-L82 PolarHBondContact O-N 2.87Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.42Å; L82-T85 WeakPolarHBondContact CA-OG1 3.23Å; L82-T85 PolarHBondContact O-N 2.8Å; L82-T85 PolarHBondContact O-OG1 3.24Å; L82-L86 HydrophobicContact CD1-CD1 4.11Å; L82-L86 HydrophobicContact CD1-CG 4.15Å; L82-L86 HydrophobicContact CG-CD1 3.9Å; L82-L86 HydrophobicContact CG-CG 4.38Å; L82-L86 VanDerWaalsContact O-CB 3.23Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 WeakPolarHBondContact O-CG 3.37Å; L82-L86 PolarHBondContact O-N 2.9Å |
| 83 | E | 69.9 | Low | 59.5 | Low | 123 Ų | 123 | 118.4 Ų | 118.4 | 58% | 0.575 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.8 | -39.8 | 173.1 | -73 | -81.6 | 103.8 | 0 | 0 | 111.2 | R79 Q87 | R79-E83 WeakPolarHBondContact O-CB 3.22Å; R79-E83 WeakPolarHBondContact O-CG 3.36Å; R79-E83 PolarHBondContact O-N 3.48Å; E83-Q87 WeakPolarHBondContact O-CB 3.39Å; E83-Q87 PolarHBondContact O-N 3.34Å |
| 84 | L | 64.5 | Low | 59.2 | Low | 117 Ų | 117 | 122.4 Ų | 122.4 | 61% | 0.613 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.4 | -38.3 | 176.9 | -176.8 | 63.1 | 0 | 0 | 0 | 112.5 | L80 L82 L88 | L80-L84 WeakPolarHBondContact O-CB 3.44Å; L80-L84 PolarHBondContact O-N 2.79Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.42Å; L84-L88 VanDerWaalsContact O-CB 3.25Å; L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 PolarHBondContact O-N 3.14Å |
| 85 | T | 67.1 | Low | 59.3 | Low | 70 Ų | 70 | 116.9 Ų | 116.9 | 43% | 0.429 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75.8 | -36.4 | 176.3 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | L81 L82 L88 F89 | L81-T85 WeakPolarHBondContact O-CB 3.17Å; L81-T85 WeakPolarHBondContact O-CG2 3.22Å; L81-T85 PolarHBondContact O-N 2.87Å; L81-T85 PolarHBondContact O-OG1 2.93Å; L82-T85 WeakPolarHBondContact CA-OG1 3.23Å; L82-T85 PolarHBondContact O-N 2.8Å; L82-T85 PolarHBondContact O-OG1 3.24Å; T85-L88 PolarHBondContact O-N 2.94Å; T85-F89 VanDerWaalsContact O-CB 3.22Å; T85-F89 WeakPolarHBondContact O-CB 3.42Å; T85-F89 PolarHBondContact O-N 3.17Å |
| 86 | L | 72.6 | Confident | 59.1 | Low | 75 Ų | 75 | 119.2 Ų | 119.2 | 39% | 0.393 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.7 | -43.5 | 170.4 | -75 | 170.6 | 0 | 0 | 0 | 111.6 | L82 F89 L90 | L82-L86 HydrophobicContact CD1-CD1 4.11Å; L82-L86 HydrophobicContact CD1-CG 4.15Å; L82-L86 HydrophobicContact CG-CD1 3.9Å; L82-L86 HydrophobicContact CG-CG 4.38Å; L82-L86 VanDerWaalsContact O-CB 3.23Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 WeakPolarHBondContact O-CG 3.37Å; L82-L86 PolarHBondContact O-N 2.9Å; L86-F89 PolarHBondContact O-N 3.04Å; L86-L90 WeakPolarHBondContact O-CB 3.19Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 3.16Å |
| 87 | Q | 69.3 | Low | 59.1 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 51% | 0.505 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.3 | -48.4 | 174.6 | -172.4 | 66.4 | 39.1 | 0 | 0 | 109.9 | E83 F89 L90 Q91 | E83-Q87 WeakPolarHBondContact O-CB 3.39Å; E83-Q87 PolarHBondContact O-N 3.34Å; Q87-F89 VanDerWaalsContact C-N 3.32Å; Q87-F89 PolarHBondContact O-N 3.38Å; Q87-L90 PolarHBondContact O-N 3.5Å; Q87-Q91 WeakPolarHBondContact O-CB 3.21Å; Q87-Q91 PolarHBondContact O-N 3.02Å |
| 88 | L | 65.8 | Low | 58.9 | Low | 116 Ų | 116 | 116.5 Ų | 116.5 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.1 | -41.4 | 176.5 | -177.5 | 62.9 | 0 | 0 | 0 | 112.3 | L84 T85 Q91 M92 | L84-L88 VanDerWaalsContact O-CB 3.25Å; L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 PolarHBondContact O-N 3.14Å; T85-L88 PolarHBondContact O-N 2.94Å; L88-Q91 PolarHBondContact O-N 3.47Å; L88-M92 VanDerWaalsContact O-CG 3.31Å; L88-M92 WeakPolarHBondContact O-CG 3.31Å; L88-M92 PolarHBondContact O-N 2.99Å |
| 89 | F | 59.3 | Low | 58.3 | Low | 130 Ų | 130 | 112 Ų | 112 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.7 | -33.4 | 179.7 | -163.4 | -88.7 | 0 | 0 | 0 | 112.8 | T85 L86 Q87 W109 | T85-F89 VanDerWaalsContact O-CB 3.22Å; T85-F89 WeakPolarHBondContact O-CB 3.42Å; T85-F89 PolarHBondContact O-N 3.17Å; L86-F89 PolarHBondContact O-N 3.04Å; Q87-F89 VanDerWaalsContact C-N 3.32Å; Q87-F89 PolarHBondContact O-N 3.38Å; F89-W109 AromaticContact CD1-CH2 3.55Å; F89-W109 HydrophobicContact CD1-CH2 3.55Å; F89-W109 AromaticContact CD1-CZ2 3.89Å; F89-W109 HydrophobicContact CD1-CZ2 3.89Å; F89-W109 AromaticContact CE1-CH2 3.41Å; F89-W109 HydrophobicContact CE1-CH2 3.41Å; F89-W109 VanDerWaalsContact CE1-CH2 3.41Å; F89-W109 AromaticContact CE1-CZ2 3.88Å; F89-W109 HydrophobicContact CE1-CZ2 3.88Å; F89-W109 HydrophobicContact CE1-CZ3 4.11Å |
| 90 | L | 58.3 | Low | 57.3 | Low | 97 Ų | 97 | 108.2 Ų | 108.2 | 51% | 0.508 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -78.2 | -25.1 | 172.4 | -72.2 | 165.9 | 0 | 0 | 0 | 112.8 | L86 Q87 M92 W109 | L86-L90 WeakPolarHBondContact O-CB 3.19Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 3.16Å; Q87-L90 PolarHBondContact O-N 3.5Å; L90-M92 VanDerWaalsContact C-N 3.29Å; L90-W109 HydrophobicContact CD2-CH2 4.17Å; L90-W109 HydrophobicContact CD2-CZ2 3.71Å |
| 91 | Q | 53.8 | Low | 56.8 | Low | 131 Ų | 131 | 110.5 Ų | 110.5 | 61% | 0.612 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -79.6 | -10.7 | 175.4 | -151.6 | 84.8 | 36.9 | 0 | 0 | 112.6 | Q87 L88 P93 | Q87-Q91 WeakPolarHBondContact O-CB 3.21Å; Q87-Q91 PolarHBondContact O-N 3.02Å; L88-Q91 PolarHBondContact O-N 3.47Å; Q91-P93 WeakPolarHBondContact O-CD 3.16Å |
| 92 | M | 42.6 | Very low | 56.2 | Low | 112 Ų | 112 | 110.5 Ų | 110.5 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | trans | -81.4 | 103.6 | 173.1 | -76.5 | -78.4 | -77.3 | 0 | 0 | 110 | L88 L90 E94 | L88-M92 VanDerWaalsContact O-CG 3.31Å; L88-M92 WeakPolarHBondContact O-CG 3.31Å; L88-M92 PolarHBondContact O-N 2.99Å; L90-M92 VanDerWaalsContact C-N 3.29Å; M92-E94 PolarHBondContact O-N 3.3Å | ||
| 93 | P | 45.5 | Very low | 55.8 | Low | 113 Ų | 113 | 110.8 Ų | 110.8 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | trans | -79.4 | -1.2 | -166.9 | -14.7 | 33.1 | 0 | 0 | 0 | 114.8 | Q91 | Q91-P93 WeakPolarHBondContact O-CD 3.16Š| ||
| 94 | E | 45.6 | Very low | 55.1 | Low | 152 Ų | 152 | 112.6 Ų | 112.6 | 71% | 0.71 | 60% | 0.599 | S | S | * | * | trans | -134.1 | 73.8 | -173.9 | -65.8 | -178.7 | 154.2 | 0 | 0 | 112.1 | M92 N96 | M92-E94 PolarHBondContact O-N 3.3Å; E94-N96 PolarHBondContact O-N 2.91Å | ||
| 95 | P | 47.6 | Very low | 54.6 | Low | 61 Ų | 61 | 108.4 Ų | 108.4 | 40% | 0.396 | 58% | 0.581 | S | S | . | * | trans | -63.6 | 118.3 | 152.4 | 29 | -30.9 | 0 | 0 | 0 | 107.6 | I97 | P95-I97 VanDerWaalsContact O-CD1 3.28Å; P95-I97 WeakPolarHBondContact O-CD1 3.33Å; P95-I97 WeakPolarHBondContact O-CG1 3.34Å; P95-I97 PolarHBondContact O-N 3.29Å | ||
| 96 | N | 48.6 | Very low | 53.9 | Low | 112 Ų | 112 | 106.5 Ų | 106.5 | 60% | 0.599 | 57% | 0.572 | S | S | * | * | trans | -51.6 | 90.8 | -167.7 | -172.6 | 109.4 | 0 | 0 | 0 | 114.2 | E94 D98 S99 | E94-N96 PolarHBondContact O-N 2.91Å; N96-D98 PolarHBondContact O-N 2.86Å; N96-S99 PolarHBondContact ND2-N 3.24Å; N96-S99 PolarHBondContact O-N 3Å | ||
| 97 | I | 48.3 | Very low | 53.3 | Low | 120 Ų | 120 | 108.6 Ų | 108.6 | 62% | 0.615 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -28.1 | -174.4 | -55.9 | -61.2 | 0 | 0 | 0 | 112.6 | P95 S99 A106 | P95-I97 VanDerWaalsContact O-CD1 3.28Å; P95-I97 WeakPolarHBondContact O-CD1 3.33Å; P95-I97 WeakPolarHBondContact O-CG1 3.34Å; P95-I97 PolarHBondContact O-N 3.29Å; I97-S99 PolarHBondContact O-N 3.38Å; I97-A106 HydrophobicContact CD1-CB 4.06Å |
| 98 | D | 51.8 | Low | 52.7 | Low | 155 Ų | 155 | 105.7 Ų | 105.7 | 83% | 0.829 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 4.4 | 177 | -104.1 | -103.2 | 0 | 0 | 0 | 114.8 | N96 P100 | N96-D98 PolarHBondContact O-N 2.86Å; D98-P100 WeakPolarHBondContact O-CD 3.33Å |
| 99 | S | 45.5 | Very low | 52.1 | Low | 57 Ų | 57 | 103.7 Ų | 103.7 | 40% | 0.399 | 55% | 0.552 | S | S | . | * | trans | -92.2 | 109.4 | 174.3 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | N96 I97 L101 | N96-S99 PolarHBondContact ND2-N 3.24Å; N96-S99 PolarHBondContact O-N 3Å; I97-S99 PolarHBondContact O-N 3.38Å; S99-L101 PolarHBondContact O-N 3.33Å | ||
| 100 | P | 46.3 | Very low | 52.1 | Low | 116 Ų | 116 | 104.3 Ų | 104.3 | 75% | 0.753 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 2.8 | -171.6 | 30.2 | -37.4 | 0 | 0 | 0 | 114.3 | D98 | D98-P100 WeakPolarHBondContact O-CD 3.33Š|
| 101 | L | 56.1 | Low | 52.1 | Low | 159 Ų | 159 | 104.4 Ų | 104.4 | 83% | 0.832 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -8.2 | -177.3 | -89.6 | 159 | 0 | 0 | 0 | 114.6 | S99 | S99-L101 PolarHBondContact O-N 3.33Š|
| 102 | N | 56.8 | Low | 52.3 | Low | 97 Ų | 97 | 101.7 Ų | 101.7 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | trans | -149.9 | 46.5 | 177.1 | -153.1 | -7.7 | 0 | 0 | 0 | 116.2 | H104 A105 A106 | N102-H104 PolarHBondContact O-N 3.37Å; N102-A105 VanDerWaalsContact CG-CB 3.49Å; N102-A105 WeakPolarHBondContact ND2-CB 3.21Å; N102-A105 PolarHBondContact O-N 2.81Å; N102-A105 WeakPolarHBondContact OD1-CB 3.33Å; N102-A105 PolarHBondContact OD1-N 3.32Å; N102-A106 WeakPolarHBondContact O-CB 3.43Å; N102-A106 PolarHBondContact O-N 2.79Å; N102-A106 VanDerWaalsContact O-N 3.13Å | ||
| 103 | T | 55.9 | Low | 53.4 | Low | 105 Ų | 105 | 101.8 Ų | 101.8 | 64% | 0.644 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -56.1 | -34.4 | 173.5 | -14.1 | 0 | 0 | 0 | 0 | 112.6 | A106 E107 | T103-A106 PolarHBondContact O-N 2.92Å; T103-E107 PolarHBondContact O-N 3.2Å; T103-E107 VanDerWaalsContact O-N 3.1Å |
| 104 | H | 55.2 | Low | 54.2 | Low | 162 Ų | 162 | 98.3 Ų | 98.3 | 75% | 0.75 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.3 | -44.4 | -177.4 | -170.7 | -79.7 | 0 | 0 | 0 | 113 | N102 A106 E107 L108 | N102-H104 PolarHBondContact O-N 3.37Å; H104-A106 VanDerWaalsContact C-N 3.35Å; H104-E107 PolarHBondContact O-N 2.85Å; H104-L108 PolarHBondContact O-N 2.92Å |
| 105 | A | 53.8 | Low | 55.2 | Low | 29 Ų | 29 | 93 Ų | 93 | 24% | 0.24 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -71.6 | -31.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N102 E107 L108 W109 | N102-A105 VanDerWaalsContact CG-CB 3.49Å; N102-A105 WeakPolarHBondContact ND2-CB 3.21Å; N102-A105 PolarHBondContact O-N 2.81Å; N102-A105 WeakPolarHBondContact OD1-CB 3.33Å; N102-A105 PolarHBondContact OD1-N 3.32Å; A105-E107 VanDerWaalsContact C-N 3.27Å; A105-E107 PolarHBondContact O-N 2.86Å; A105-L108 PolarHBondContact O-N 3.45Å; A105-W109 VanDerWaalsContact O-CB 3.29Å; A105-W109 WeakPolarHBondContact O-CB 3.38Å; A105-W109 PolarHBondContact O-N 3.29Å |
| 106 | A | 54.4 | Low | 56.2 | Low | 29 Ų | 29 | 97 Ų | 97 | 24% | 0.24 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -62.3 | -32.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I97 N102 T103 H104 | I97-A106 HydrophobicContact CD1-CB 4.06Å; N102-A106 WeakPolarHBondContact O-CB 3.43Å; N102-A106 PolarHBondContact O-N 2.79Å; N102-A106 VanDerWaalsContact O-N 3.13Å; T103-A106 PolarHBondContact O-N 2.92Å; H104-A106 VanDerWaalsContact C-N 3.35Å |
| 107 | E | 59.1 | Low | 57.5 | Low | 120 Ų | 120 | 98 Ų | 98 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.7 | -46.6 | 170.4 | -176.4 | 125.2 | -96.4 | 0 | 0 | 112.3 | T103 H104 A105 W109 K110 | T103-E107 PolarHBondContact O-N 3.2Å; T103-E107 VanDerWaalsContact O-N 3.1Å; H104-E107 PolarHBondContact O-N 2.85Å; A105-E107 VanDerWaalsContact C-N 3.27Å; A105-E107 PolarHBondContact O-N 2.86Å; E107-W109 PolarHBondContact O-N 2.85Å; E107-K110 WeakPolarHBondContact O-CB 3.44Å; E107-K110 WeakPolarHBondContact O-CG 3.16Å; E107-K110 PolarHBondContact O-N 3.17Å; E107-K110 IonicContact OE1-NZ 3.57Å; E107-K110 PolarHBondContact OE1-NZ 2.8Å |
| 108 | L | 56.1 | Low | 58.5 | Low | 46 Ų | 46 | 98.7 Ų | 98.7 | 24% | 0.241 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -61.6 | -33.7 | 178.1 | -169.1 | 64.1 | 0 | 0 | 0 | 112.2 | H104 A105 K110 N111 A114 F115 Y118 | H104-L108 PolarHBondContact O-N 2.92Å; A105-L108 PolarHBondContact O-N 3.45Å; L108-K110 VanDerWaalsContact C-N 3.26Å; L108-K110 PolarHBondContact O-N 3.25Å; L108-N111 PolarHBondContact O-N 3.21Å; L108-N111 VanDerWaalsContact O-N 3.11Å; L108-A114 HydrophobicContact CD1-CB 3.92Å; L108-F115 HydrophobicContact CD2-CD2 4.16Å; L108-F115 HydrophobicContact CG-CB 4.4Å; L108-F115 HydrophobicContact CG-CD2 4.32Å; L108-Y118 HydrophobicContact CD2-CD1 4.08Å; L108-Y118 HydrophobicContact CD2-CG 3.97Å |
| 109 | W | 54.4 | Low | 59.5 | Low | 75 Ų | 75 | 95.3 Ų | 95.3 | 28% | 0.284 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -27.9 | 178 | -164.5 | -96.3 | 0 | 0 | 0 | 113.5 | F89 L90 A105 E107 N111 F115 | F89-W109 AromaticContact CD1-CH2 3.55Å; F89-W109 HydrophobicContact CD1-CH2 3.55Å; F89-W109 AromaticContact CD1-CZ2 3.89Å; F89-W109 HydrophobicContact CD1-CZ2 3.89Å; F89-W109 AromaticContact CE1-CH2 3.41Å; F89-W109 HydrophobicContact CE1-CH2 3.41Å; F89-W109 VanDerWaalsContact CE1-CH2 3.41Å; F89-W109 AromaticContact CE1-CZ2 3.88Å; F89-W109 HydrophobicContact CE1-CZ2 3.88Å; F89-W109 HydrophobicContact CE1-CZ3 4.11Å; L90-W109 HydrophobicContact CD2-CH2 4.17Å; L90-W109 HydrophobicContact CD2-CZ2 3.71Å; A105-W109 VanDerWaalsContact O-CB 3.29Å; A105-W109 WeakPolarHBondContact O-CB 3.38Å; A105-W109 PolarHBondContact O-N 3.29Å; E107-W109 PolarHBondContact O-N 2.85Å; W109-N111 PolarHBondContact O-N 3.3Å; W109-N111 VanDerWaalsContact O-N 3.14Å; W109-F115 AromaticContact CE3-CD1 3.97Å; W109-F115 HydrophobicContact CE3-CD1 3.97Å; W109-F115 HydrophobicContact CE3-CD2 4.07Å; W109-F115 AromaticContact CE3-CE1 3.87Å; W109-F115 HydrophobicContact CE3-CE1 3.87Å; W109-F115 AromaticContact CE3-CE2 3.98Å; W109-F115 HydrophobicContact CE3-CE2 3.98Å; W109-F115 HydrophobicContact CE3-CG 4.08Å; W109-F115 AromaticContact CE3-CZ 3.89Å; W109-F115 HydrophobicContact CE3-CZ 3.89Å; W109-F115 HydrophobicContact CH2-CE1 4.17Å; W109-F115 AromaticContact CZ3-CD1 3.75Å; W109-F115 HydrophobicContact CZ3-CD1 3.75Å; W109-F115 HydrophobicContact CZ3-CD2 4.44Å; W109-F115 AromaticContact CZ3-CE1 3.29Å; W109-F115 HydrophobicContact CZ3-CE1 3.29Å; W109-F115 HydrophobicContact CZ3-CE2 4.07Å; W109-F115 HydrophobicContact CZ3-CG 4.31Å; W109-F115 AromaticContact CZ3-CZ 3.48Å; W109-F115 HydrophobicContact CZ3-CZ 3.48Å; W109-F115 VanDerWaalsContact CZ3-CZ 3.48Å |
| 110 | K | 59.3 | Low | 60.9 | Low | 143 Ų | 143 | 98 Ų | 98 | 62% | 0.622 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.4 | 174.7 | -58.3 | 170.6 | -171.7 | 167.8 | 0 | 112.4 | E107 L108 P112 | E107-K110 WeakPolarHBondContact O-CB 3.44Å; E107-K110 WeakPolarHBondContact O-CG 3.16Å; E107-K110 PolarHBondContact O-N 3.17Å; E107-K110 IonicContact OE1-NZ 3.57Å; E107-K110 PolarHBondContact OE1-NZ 2.8Å; L108-K110 VanDerWaalsContact C-N 3.26Å; L108-K110 PolarHBondContact O-N 3.25Å; K110-P112 WeakPolarHBondContact O-CD 3.33Å |
| 111 | N | 58 | Low | 62.1 | Low | 99 Ų | 99 | 97.7 Ų | 97.7 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | trans | -116.6 | 84.5 | -178.5 | -72.5 | -74.3 | 0 | 0 | 0 | 110.2 | L108 W109 T113 A114 F115 | L108-N111 PolarHBondContact O-N 3.21Å; L108-N111 VanDerWaalsContact O-N 3.11Å; W109-N111 PolarHBondContact O-N 3.3Å; W109-N111 VanDerWaalsContact O-N 3.14Å; N111-T113 PolarHBondContact O-N 3.06Å; N111-T113 VanDerWaalsContact O-N 3.07Å; N111-A114 HydrophobicContact CB-CB 3.88Å; N111-A114 WeakPolarHBondContact O-CB 3.28Å; N111-A114 PolarHBondContact O-N 3.45Å; N111-F115 PolarHBondContact O-N 3.13Å | ||
| 112 | P | 58 | Low | 62.9 | Low | 73 Ų | 73 | 92.4 Ų | 92.4 | 47% | 0.474 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.3 | -29.9 | -173.3 | 21.5 | -33.4 | 0 | 0 | 0 | 113.3 | K110 K116 | K110-P112 WeakPolarHBondContact O-CD 3.33Å; P112-K116 WeakPolarHBondContact O-CB 3.29Å; P112-K116 VanDerWaalsContact O-CG 3.29Å; P112-K116 WeakPolarHBondContact O-CG 3.29Å; P112-K116 PolarHBondContact O-N 3.44Å |
| 113 | T | 64.9 | Low | 63.2 | Low | 114 Ų | 114 | 95.4 Ų | 95.4 | 70% | 0.699 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.2 | -42.4 | 173.1 | -48 | 0 | 0 | 0 | 0 | 112.5 | N111 K117 | N111-T113 PolarHBondContact O-N 3.06Å; N111-T113 VanDerWaalsContact O-N 3.07Å; T113-K117 WeakPolarHBondContact O-CB 3.37Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 3.25Å; T113-K117 VanDerWaalsContact O-N 3.07Å |
| 114 | A | 63.1 | Low | 63.8 | Low | 41 Ų | 41 | 93.1 Ų | 93.1 | 34% | 0.339 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -71.5 | -42.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | L108 N111 K117 Y118 | L108-A114 HydrophobicContact CD1-CB 3.92Å; N111-A114 HydrophobicContact CB-CB 3.88Å; N111-A114 WeakPolarHBondContact O-CB 3.28Å; N111-A114 PolarHBondContact O-N 3.45Å; A114-K117 PolarHBondContact O-N 3.22Å; A114-Y118 PolarHBondContact O-N 2.82Å |
| 115 | F | 66.8 | Low | 64.3 | Low | 39 Ų | 39 | 91.3 Ų | 91.3 | 17% | 0.171 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 175.4 | -176.6 | -100.9 | 0 | 0 | 0 | 112.5 | L108 W109 N111 K117 Y118 L119 | L108-F115 HydrophobicContact CD2-CD2 4.16Å; L108-F115 HydrophobicContact CG-CB 4.4Å; L108-F115 HydrophobicContact CG-CD2 4.32Å; W109-F115 AromaticContact CE3-CD1 3.97Å; W109-F115 HydrophobicContact CE3-CD1 3.97Å; W109-F115 HydrophobicContact CE3-CD2 4.07Å; W109-F115 AromaticContact CE3-CE1 3.87Å; W109-F115 HydrophobicContact CE3-CE1 3.87Å; W109-F115 AromaticContact CE3-CE2 3.98Å; W109-F115 HydrophobicContact CE3-CE2 3.98Å; W109-F115 HydrophobicContact CE3-CG 4.08Å; W109-F115 AromaticContact CE3-CZ 3.89Å; W109-F115 HydrophobicContact CE3-CZ 3.89Å; W109-F115 HydrophobicContact CH2-CE1 4.17Å; W109-F115 AromaticContact CZ3-CD1 3.75Å; W109-F115 HydrophobicContact CZ3-CD1 3.75Å; W109-F115 HydrophobicContact CZ3-CD2 4.44Å; W109-F115 AromaticContact CZ3-CE1 3.29Å; W109-F115 HydrophobicContact CZ3-CE1 3.29Å; W109-F115 HydrophobicContact CZ3-CE2 4.07Å; W109-F115 HydrophobicContact CZ3-CG 4.31Å; W109-F115 AromaticContact CZ3-CZ 3.48Å; W109-F115 HydrophobicContact CZ3-CZ 3.48Å; W109-F115 VanDerWaalsContact CZ3-CZ 3.48Å; N111-F115 PolarHBondContact O-N 3.13Å; F115-K117 VanDerWaalsContact C-N 3.31Å; F115-K117 PolarHBondContact O-N 2.93Å; F115-Y118 PolarHBondContact O-N 2.91Å; F115-L119 HydrophobicContact CD1-CD1 4.14Å; F115-L119 HydrophobicContact CD1-CG 4.36Å; F115-L119 HydrophobicContact CE1-CD1 3.3Å; F115-L119 HydrophobicContact CE1-CD2 4.5Å; F115-L119 HydrophobicContact CE1-CG 3.74Å; F115-L119 HydrophobicContact CE2-CD2 4.42Å; F115-L119 HydrophobicContact CE2-CG 4.25Å; F115-L119 HydrophobicContact CZ-CD1 3.56Å; F115-L119 HydrophobicContact CZ-CD2 3.96Å; F115-L119 HydrophobicContact CZ-CG 3.67Å; F115-L119 PolarHBondContact O-N 3.31Å |
| 116 | K | 68 | Low | 64.6 | Low | 145 Ų | 145 | 96 Ų | 96 | 63% | 0.63 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.3 | -35.3 | 174.8 | -72.8 | -179.7 | 75.1 | 160.7 | 0 | 112.2 | P112 Q120 | P112-K116 WeakPolarHBondContact O-CB 3.29Å; P112-K116 VanDerWaalsContact O-CG 3.29Å; P112-K116 WeakPolarHBondContact O-CG 3.29Å; P112-K116 PolarHBondContact O-N 3.44Å; K116-Q120 VanDerWaalsContact O-CB 3.25Å; K116-Q120 WeakPolarHBondContact O-CB 3.25Å; K116-Q120 PolarHBondContact O-N 3.26Å |
| 117 | K | 75 | Confident | 64.7 | Low | 134 Ų | 134 | 98.1 Ų | 98.1 | 58% | 0.583 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.9 | -45.3 | 172.5 | -82.2 | -69.2 | -175.7 | -174.8 | 0 | 112.6 | T113 A114 F115 Q120 E121 | T113-K117 WeakPolarHBondContact O-CB 3.37Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 3.25Å; T113-K117 VanDerWaalsContact O-N 3.07Å; A114-K117 PolarHBondContact O-N 3.22Å; F115-K117 VanDerWaalsContact C-N 3.31Å; F115-K117 PolarHBondContact O-N 2.93Å; K117-Q120 PolarHBondContact O-N 2.88Å; K117-E121 WeakPolarHBondContact O-CB 3.35Å; K117-E121 PolarHBondContact O-N 3.39Å |
| 118 | Y | 69.4 | Low | 64.5 | Low | 134 Ų | 134 | 97.2 Ų | 97.2 | 53% | 0.525 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 176.4 | 179.1 | -101.6 | 0 | 0 | 0 | 111.5 | L108 A114 F115 Q120 E121 T122 | L108-Y118 HydrophobicContact CD2-CD1 4.08Å; L108-Y118 HydrophobicContact CD2-CG 3.97Å; A114-Y118 PolarHBondContact O-N 2.82Å; F115-Y118 PolarHBondContact O-N 2.91Å; Y118-Q120 VanDerWaalsContact C-N 3.35Å; Y118-Q120 PolarHBondContact O-N 3.04Å; Y118-E121 PolarHBondContact O-N 2.94Å; Y118-T122 WeakPolarHBondContact O-CB 3.06Å; Y118-T122 PolarHBondContact O-N 2.98Å; Y118-T122 PolarHBondContact O-OG1 2.89Å |
| 119 | L | 73.5 | Confident | 64.4 | Low | 84 Ų | 84 | 100.2 Ų | 100.2 | 44% | 0.44 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 175 | -73.6 | -169.7 | 0 | 0 | 0 | 112.8 | F115 Y123 | F115-L119 HydrophobicContact CD1-CD1 4.14Å; F115-L119 HydrophobicContact CD1-CG 4.36Å; F115-L119 HydrophobicContact CE1-CD1 3.3Å; F115-L119 HydrophobicContact CE1-CD2 4.5Å; F115-L119 HydrophobicContact CE1-CG 3.74Å; F115-L119 HydrophobicContact CE2-CD2 4.42Å; F115-L119 HydrophobicContact CE2-CG 4.25Å; F115-L119 HydrophobicContact CZ-CD1 3.56Å; F115-L119 HydrophobicContact CZ-CD2 3.96Å; F115-L119 HydrophobicContact CZ-CG 3.67Å; F115-L119 PolarHBondContact O-N 3.31Å; L119-Y123 WeakPolarHBondContact O-CB 3.43Å; L119-Y123 PolarHBondContact O-N 3.41Å |
| 120 | Q | 74.8 | Confident | 64.4 | Low | 115 Ų | 115 | 104.7 Ų | 104.7 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 178.1 | -174.8 | -179.9 | 11.5 | 0 | 0 | 111.2 | K116 K117 Y118 Y123 S124 | K116-Q120 VanDerWaalsContact O-CB 3.25Å; K116-Q120 WeakPolarHBondContact O-CB 3.25Å; K116-Q120 PolarHBondContact O-N 3.26Å; K117-Q120 PolarHBondContact O-N 2.88Å; Y118-Q120 VanDerWaalsContact C-N 3.35Å; Y118-Q120 PolarHBondContact O-N 3.04Å; Q120-Y123 PolarHBondContact O-N 2.97Å; Q120-S124 WeakPolarHBondContact O-CB 3.45Å; Q120-S124 PolarHBondContact O-N 3.25Å; Q120-S124 PolarHBondContact O-OG 3.18Å |
| 121 | E | 71.6 | Confident | 63.6 | Low | 109 Ų | 109 | 105.7 Ų | 105.7 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 179.3 | -165.9 | -166.5 | 129.1 | 0 | 0 | 111.9 | K117 Y118 K125 | K117-E121 WeakPolarHBondContact O-CB 3.35Å; K117-E121 PolarHBondContact O-N 3.39Å; Y118-E121 PolarHBondContact O-N 2.94Å; E121-K125 HydrophobicContact CG-CD 4.44Å; E121-K125 WeakPolarHBondContact O-CB 3.43Å; E121-K125 WeakPolarHBondContact O-CG 3.42Å; E121-K125 PolarHBondContact O-N 3.43Å; E121-K125 WeakPolarHBondContact OE1-CE 3.41Å; E121-K125 IonicContact OE1-NZ 2.75Å; E121-K125 PolarHBondContact OE1-NZ 3.41Å |
| 122 | T | 73.8 | Confident | 63.4 | Low | 48 Ų | 48 | 110.2 Ų | 110.2 | 29% | 0.294 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.1 | -48.4 | 173.7 | -57.4 | 0 | 0 | 0 | 0 | 111 | Y118 K125 Q126 | Y118-T122 WeakPolarHBondContact O-CB 3.06Å; Y118-T122 PolarHBondContact O-N 2.98Å; Y118-T122 PolarHBondContact O-OG1 2.89Å; T122-K125 PolarHBondContact O-N 3.28Å; T122-Q126 WeakPolarHBondContact O-CG 3.33Å; T122-Q126 PolarHBondContact O-N 3.1Å |
| 123 | Y | 62.6 | Low | 63.7 | Low | 159 Ų | 159 | 112.1 Ų | 112.1 | 62% | 0.624 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.7 | -44 | 179.2 | -172.4 | -95.1 | 0 | 0 | 0 | 111.8 | L119 Q120 K125 Q126 V127 | L119-Y123 WeakPolarHBondContact O-CB 3.43Å; L119-Y123 PolarHBondContact O-N 3.41Å; Q120-Y123 PolarHBondContact O-N 2.97Å; Y123-K125 PolarHBondContact O-N 2.87Å; Y123-Q126 PolarHBondContact O-N 3.11Å; Y123-V127 HydrophobicContact CD1-CG2 3.96Å; Y123-V127 HydrophobicContact CE1-CG2 3.56Å; Y123-V127 HydrophobicContact CE2-CG2 4.42Å; Y123-V127 WeakPolarHBondContact O-CG2 3.42Å; Y123-V127 PolarHBondContact O-N 3.19Å |
| 124 | S | 67.6 | Low | 63.6 | Low | 58 Ų | 58 | 112 Ų | 112 | 41% | 0.406 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -56.3 | -49.4 | 172.4 | -75.8 | 0 | 0 | 0 | 0 | 111.6 | Q120 Q126 V127 T128 | Q120-S124 WeakPolarHBondContact O-CB 3.45Å; Q120-S124 PolarHBondContact O-N 3.25Å; Q120-S124 PolarHBondContact O-OG 3.18Å; S124-Q126 VanDerWaalsContact C-N 3.31Å; S124-Q126 PolarHBondContact O-N 3.32Å; S124-V127 PolarHBondContact O-N 3.31Å; S124-T128 PolarHBondContact O-N 2.63Å; S124-T128 PolarHBondContact O-OG1 3.14Å |
| 125 | K | 66.5 | Low | 63.7 | Low | 123 Ų | 123 | 115.9 Ų | 115.9 | 54% | 0.535 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -55.8 | -44 | 176.7 | -79.5 | 168.7 | 169.6 | 169.3 | 0 | 112.4 | E121 T122 Y123 S129 | E121-K125 HydrophobicContact CG-CD 4.44Å; E121-K125 WeakPolarHBondContact O-CB 3.43Å; E121-K125 WeakPolarHBondContact O-CG 3.42Å; E121-K125 PolarHBondContact O-N 3.43Å; E121-K125 WeakPolarHBondContact OE1-CE 3.41Å; E121-K125 IonicContact OE1-NZ 2.75Å; E121-K125 PolarHBondContact OE1-NZ 3.41Å; T122-K125 PolarHBondContact O-N 3.28Å; Y123-K125 PolarHBondContact O-N 2.87Å; K125-S129 VanDerWaalsContact O-CB 3.28Å; K125-S129 WeakPolarHBondContact O-CB 3.48Å; K125-S129 PolarHBondContact O-N 3Å; K125-S129 PolarHBondContact O-OG 3.07Å |
| 126 | Q | 60.4 | Low | 63.5 | Low | 127 Ų | 127 | 120.5 Ų | 120.5 | 59% | 0.593 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.7 | -39.8 | 178.4 | -65 | -173.1 | 109.4 | 0 | 0 | 112.4 | T122 Y123 S124 Q130 | T122-Q126 WeakPolarHBondContact O-CG 3.33Å; T122-Q126 PolarHBondContact O-N 3.1Å; Y123-Q126 PolarHBondContact O-N 3.11Å; S124-Q126 VanDerWaalsContact C-N 3.31Å; S124-Q126 PolarHBondContact O-N 3.32Å; Q126-Q130 WeakPolarHBondContact O-CB 3.47Å; Q126-Q130 PolarHBondContact O-N 3.07Å |
| 127 | V | 54.8 | Low | 63.2 | Low | 75 Ų | 75 | 118.9 Ų | 118.9 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.8 | -43.1 | 178.3 | 172 | 0 | 0 | 0 | 0 | 112.1 | Y123 S124 S129 Q130 | Y123-V127 HydrophobicContact CD1-CG2 3.96Å; Y123-V127 HydrophobicContact CE1-CG2 3.56Å; Y123-V127 HydrophobicContact CE2-CG2 4.42Å; Y123-V127 WeakPolarHBondContact O-CG2 3.42Å; Y123-V127 PolarHBondContact O-N 3.19Å; S124-V127 PolarHBondContact O-N 3.31Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 2.89Å; V127-Q130 CarbonylContact O-C 3.54Å; V127-Q130 PolarHBondContact O-N 2.75Å |
| 128 | T | 55 | Low | 62.4 | Low | 101 Ų | 101 | 117.9 Ų | 117.9 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -76.1 | -19.7 | 178.5 | -30.4 | 0 | 0 | 0 | 0 | 112.9 | S124 | S124-T128 PolarHBondContact O-N 2.63Å; S124-T128 PolarHBondContact O-OG1 3.14Å |
| 129 | S | 55 | Low | 61.9 | Low | 109 Ų | 109 | 116.8 Ų | 116.8 | 76% | 0.762 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 9.1 | 164.9 | -64.7 | 0 | 0 | 0 | 0 | 113.5 | K125 V127 | K125-S129 VanDerWaalsContact O-CB 3.28Å; K125-S129 WeakPolarHBondContact O-CB 3.48Å; K125-S129 PolarHBondContact O-N 3Å; K125-S129 PolarHBondContact O-OG 3.07Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 2.89Å |
| 130 | Q | 53.5 | Low | 61 | Low | 169 Ų | 169 | 119.3 Ų | 119.3 | 79% | 0.79 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.9 | 27.4 | 174.9 | -157.7 | 160.8 | 28.4 | 0 | 0 | 112.2 | Q126 V127 | Q126-Q130 WeakPolarHBondContact O-CB 3.47Å; Q126-Q130 PolarHBondContact O-N 3.07Å; V127-Q130 CarbonylContact O-C 3.54Å; V127-Q130 PolarHBondContact O-N 2.75Å |
| 131 | E | 43.3 | Very low | 59.9 | Low | 163 Ų | 163 | 119.7 Ų | 119.7 | 76% | 0.762 | 64% | 0.635 | S | S | * | * | trans | -90.3 | 134.7 | 158.9 | -162.2 | 164.3 | 104.6 | 0 | 0 | 108.3 | ||||
| 132 | P | 54.5 | Low | 58.8 | Low | 195 Ų | 195 | 120.6 Ų | 120.6 | 100% | 1.266 | 65% | 0.646 | S | S | * | * | trans | -85.2 | 0 | -169.8 | 34.4 | -36.9 | 0 | 0 | 0 | 115.3 |
Retrieved 132 of 132 residues in 131.2 ms
(Link to these results)