| 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 | 36.3 | Very low | 45.6 | Very low | 239 Ų | 239 | 159.4 Ų | 159.4 | 100% | 1.177 | 82% | 0.82 | S | S | * | * | 0 | 100 | 0 | -73.4 | 160.4 | 75.3 | 0 | 0 | 106.9 | |||||
| 2 | F | 36.4 | Very low | 45.7 | Very low | 198 Ų | 198 | 160.8 Ų | 160.8 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | -78.8 | 136.2 | 170.8 | -72.7 | -85.5 | 0 | 0 | 0 | 108.1 | Q4 | F2-Q4 PolarHBondContact O-N 3.18Š| ||
| 3 | P | 54.4 | Low | 45.2 | Very low | 112 Ų | 112 | 155.5 Ų | 155.5 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -73 | 123.4 | 173.9 | 29.2 | -29.3 | 0 | 0 | 0 | 108.4 | S5 | P3-S5 VanDerWaalsContact C-N 3.32Å; P3-S5 PolarHBondContact O-N 2.95Å | ||
| 4 | Q | 49.9 | Very low | 45.1 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | -66.9 | 90.8 | 171.4 | -159.9 | 88.9 | 8.7 | 0 | 0 | 108.1 | F2 R6 | F2-Q4 PolarHBondContact O-N 3.18Å; Q4-R6 PolarHBondContact O-N 3.38Å | ||
| 5 | S | 47.4 | Very low | 45.3 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -69.9 | 79.8 | 168.6 | -60.1 | 0 | 0 | 0 | 0 | 108.9 | P3 H7 | P3-S5 VanDerWaalsContact C-N 3.32Å; P3-S5 PolarHBondContact O-N 2.95Å; S5-H7 PolarHBondContact O-N 3.12Å | ||
| 6 | R | 48.5 | Very low | 45.4 | Very low | 229 Ų | 229 | 148.3 Ų | 148.3 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -61.9 | 104.7 | 165.3 | -98.8 | -173.8 | -177 | 157.5 | 1.5 | 107.5 | Q4 | Q4-R6 PolarHBondContact O-N 3.38Š| ||
| 7 | H | 49.1 | Very low | 45.6 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -52.2 | 131.6 | 158.4 | -105.8 | -87.1 | 0 | 0 | 0 | 108.7 | S5 T9 | S5-H7 PolarHBondContact O-N 3.12Å; H7-T9 PolarHBondContact O-N 3Å | ||
| 8 | P | 42.1 | Very low | 45.9 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | trans | -67.4 | 106.1 | 157.9 | 27.5 | -27 | 0 | 0 | 0 | 106.2 | P10 | P8-P10 WeakPolarHBondContact O-CD 3.17Š| ||
| 9 | T | 44.6 | Very low | 46.1 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -57.5 | 118 | 163.9 | 30.8 | 0 | 0 | 0 | 0 | 107.6 | H7 H11 | H7-T9 PolarHBondContact O-N 3Å; T9-H11 PolarHBondContact O-N 3.07Å | ||
| 10 | P | 44.2 | Very low | 46.7 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -63.1 | 127.4 | 173.6 | 23.1 | -24.5 | 0 | 0 | 0 | 107 | P8 Q12 | P8-P10 WeakPolarHBondContact O-CD 3.17Å; P10-Q12 PolarHBondContact O-N 3.03Å | ||
| 11 | H | 48.8 | Very low | 47.9 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | trans | -52.7 | 110 | 179.9 | -72.5 | -0.3 | 0 | 0 | 0 | 110.1 | T9 A13 | T9-H11 PolarHBondContact O-N 3.07Å; H11-A13 PolarHBondContact O-N 3.01Å | ||
| 12 | Q | 46.6 | Very low | 49.8 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | -77.1 | 102 | 168.2 | -101.2 | 179.2 | 24 | 0 | 0 | 108.1 | P10 A14 | P10-Q12 PolarHBondContact O-N 3.03Å; Q12-A14 PolarHBondContact O-N 2.87Å | ||
| 13 | A | 39.5 | Very low | 52 | Low | 91 Ų | 91 | 131.9 Ų | 131.9 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | -69.3 | 118.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | H11 G15 | H11-A13 PolarHBondContact O-N 3.01Å; A13-G15 PolarHBondContact O-N 2.87Å | ||
| 14 | A | 44 | Very low | 53.4 | Low | 111 Ų | 111 | 131.5 Ų | 131.5 | 92% | 0.917 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 117.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q12 | Q12-A14 PolarHBondContact O-N 2.87Š|
| 15 | G | 47.3 | Very low | 55.1 | Low | 72 Ų | 72 | 124.3 Ų | 124.3 | 74% | 0.742 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.6 | 6.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | A13 | A13-G15 PolarHBondContact O-N 2.87Š|
| 16 | Q | 46.7 | Very low | 57 | Low | 168 Ų | 168 | 124.3 Ų | 124.3 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | trans | -101.2 | 132.4 | 175 | -73.4 | -67.5 | -24.9 | 0 | 0 | 112.1 | F18 | Q16-F18 PolarHBondContact O-N 3.31Š| ||
| 17 | P | 48.7 | Very low | 58.9 | Low | 94 Ų | 94 | 117.8 Ų | 117.8 | 61% | 0.61 | 66% | 0.657 | S | S | * | * | trans | -64.1 | 128.5 | 179 | 26.9 | -30.9 | 0 | 0 | 0 | 109 | K19 | P17-K19 VanDerWaalsContact C-N 3.33Å; P17-K19 PolarHBondContact O-N 2.85Å | ||
| 18 | F | 52.1 | Low | 60.9 | Low | 181 Ų | 181 | 116.8 Ų | 116.8 | 79% | 0.794 | 65% | 0.646 | S | S | * | * | trans | -54.1 | 93.5 | 173.1 | -88 | -100.2 | 0 | 0 | 0 | 110.2 | Q16 | Q16-F18 PolarHBondContact O-N 3.31Š| ||
| 19 | K | 50.1 | Low | 63.3 | Low | 175 Ų | 175 | 116.3 Ų | 116.3 | 76% | 0.761 | 64% | 0.636 | S | S | * | * | trans | -103.5 | 76.3 | 159.3 | -70.8 | -173.4 | 179.4 | -179.2 | 0 | 106.3 | P17 T21 | P17-K19 VanDerWaalsContact C-N 3.33Å; P17-K19 PolarHBondContact O-N 2.85Å; K19-T21 VanDerWaalsContact C-N 3.32Å; K19-T21 PolarHBondContact O-N 3.48Å | ||
| 20 | F | 57.9 | Low | 65.7 | Low | 102 Ų | 102 | 116.7 Ų | 116.7 | 45% | 0.447 | 63% | 0.629 | S | S | . | * | trans | -67.6 | 99.8 | 167.6 | -141.9 | -111.4 | 0 | 0 | 0 | 105.7 | S25 | F20-S25 WeakPolarHBondContact CD1-OG 3.24Å; F20-S25 WeakPolarHBondContact CE1-OG 3.47Å | ||
| 21 | T | 71.4 | Confident | 68.1 | Low | 72 Ų | 72 | 117.4 Ų | 117.4 | 44% | 0.442 | 62% | 0.622 | S | S | . | * | trans | -73.6 | 132.6 | -178.9 | -17.6 | 0 | 0 | 0 | 0 | 106.9 | K19 E24 S25 | K19-T21 VanDerWaalsContact C-N 3.32Å; K19-T21 PolarHBondContact O-N 3.48Å; T21-E24 WeakPolarHBondContact CB-OE2 3.32Å; T21-E24 PolarHBondContact N-OE2 2.91Å; T21-E24 VanDerWaalsContact N-OE2 3.09Å; T21-E24 WeakPolarHBondContact O-CB 3.45Å; T21-E24 PolarHBondContact O-N 3.46Å; T21-E24 PolarHBondContact OG1-OE2 2.97Å; T21-S25 PolarHBondContact O-N 3.22Å; T21-S25 PolarHBondContact O-OG 2.97Å | ||
| 22 | I | 75.9 | Confident | 70.2 | Confident | 131 Ų | 131 | 114.1 Ų | 114.1 | 67% | 0.672 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -46 | -40.1 | -179.2 | -62.6 | 177.1 | 0 | 0 | 0 | 112.5 | S25 L26 | I22-S25 WeakPolarHBondContact O-CB 3.34Å; I22-S25 PolarHBondContact O-N 3.18Å; I22-L26 HydrophobicContact CG2-CD1 4.26Å; I22-L26 WeakPolarHBondContact O-CG 3.33Å; I22-L26 PolarHBondContact O-N 3.43Å; I22-L26 VanDerWaalsContact O-N 3.16Å |
| 23 | P | 82.8 | Confident | 72.6 | Confident | 79 Ų | 79 | 112 Ų | 112 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.4 | -44.4 | 174.9 | -24 | 34.8 | 0 | 0 | 0 | 114.6 | S25 L26 D27 | P23-S25 PolarHBondContact O-N 2.98Å; P23-L26 WeakPolarHBondContact O-CB 3.26Å; P23-L26 PolarHBondContact O-N 2.88Å; P23-L26 VanDerWaalsContact O-N 3.14Å; P23-D27 PolarHBondContact O-N 3.19Å |
| 24 | E | 83.5 | Confident | 75.3 | Confident | 105 Ų | 105 | 112.6 Ų | 112.6 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.2 | -29.7 | 179.7 | -60.4 | 171.3 | 142.5 | 0 | 0 | 111.9 | T21 R28 | T21-E24 WeakPolarHBondContact CB-OE2 3.32Å; T21-E24 PolarHBondContact N-OE2 2.91Å; T21-E24 VanDerWaalsContact N-OE2 3.09Å; T21-E24 WeakPolarHBondContact O-CB 3.45Å; T21-E24 PolarHBondContact O-N 3.46Å; T21-E24 PolarHBondContact OG1-OE2 2.97Å; E24-R28 PolarHBondContact O-N 3.33Å |
| 25 | S | 85.1 | Confident | 77.8 | Confident | 26 Ų | 26 | 113.1 Ų | 113.1 | 18% | 0.182 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -67.1 | -44.5 | 174.2 | -43.2 | 0 | 0 | 0 | 0 | 111 | F20 T21 I22 P23 D27 R28 I29 | F20-S25 WeakPolarHBondContact CD1-OG 3.24Å; F20-S25 WeakPolarHBondContact CE1-OG 3.47Å; T21-S25 PolarHBondContact O-N 3.22Å; T21-S25 PolarHBondContact O-OG 2.97Å; I22-S25 WeakPolarHBondContact O-CB 3.34Å; I22-S25 PolarHBondContact O-N 3.18Å; P23-S25 PolarHBondContact O-N 2.98Å; S25-D27 VanDerWaalsContact C-N 3.34Å; S25-R28 PolarHBondContact O-N 3.21Å; S25-I29 VanDerWaalsContact O-CG1 3.25Å; S25-I29 WeakPolarHBondContact O-CG1 3.49Å; S25-I29 PolarHBondContact O-N 3.3Å |
| 26 | L | 87.3 | Confident | 80.1 | Confident | 107 Ų | 107 | 115.1 Ų | 115.1 | 56% | 0.56 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.8 | -38.6 | 178.7 | -68 | 171.4 | 0 | 0 | 0 | 111.2 | I22 P23 I29 K30 | I22-L26 HydrophobicContact CG2-CD1 4.26Å; I22-L26 WeakPolarHBondContact O-CG 3.33Å; I22-L26 PolarHBondContact O-N 3.43Å; I22-L26 VanDerWaalsContact O-N 3.16Å; P23-L26 WeakPolarHBondContact O-CB 3.26Å; P23-L26 PolarHBondContact O-N 2.88Å; P23-L26 VanDerWaalsContact O-N 3.14Å; L26-I29 PolarHBondContact O-N 3.37Å; L26-K30 WeakPolarHBondContact O-CB 3.35Å; L26-K30 PolarHBondContact O-N 3.06Å |
| 27 | D | 90.3 | Very high | 82.5 | Confident | 93 Ų | 93 | 112.7 Ų | 112.7 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.1 | -73.7 | -28.8 | 0 | 0 | 0 | 111.7 | P23 S25 I29 K30 E31 | P23-D27 PolarHBondContact O-N 3.19Å; S25-D27 VanDerWaalsContact C-N 3.34Å; D27-I29 PolarHBondContact O-N 2.97Å; D27-K30 WeakPolarHBondContact O-CB 3.46Å; D27-K30 PolarHBondContact O-N 2.88Å; D27-E31 WeakPolarHBondContact O-CG 3.29Å; D27-E31 PolarHBondContact O-N 3.47Å |
| 28 | R | 90.5 | Very high | 84.7 | Confident | 135 Ų | 135 | 111.1 Ų | 111.1 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.2 | -173.5 | -180 | -60.4 | -136.6 | -0.9 | 112.4 | E24 S25 K30 E31 E32 | E24-R28 PolarHBondContact O-N 3.33Å; S25-R28 PolarHBondContact O-N 3.21Å; R28-K30 VanDerWaalsContact C-N 3.27Å; R28-K30 PolarHBondContact O-N 3.48Å; R28-E31 PolarHBondContact O-N 2.97Å; R28-E32 WeakPolarHBondContact O-CB 3.31Å; R28-E32 WeakPolarHBondContact O-CG 3.41Å; R28-E32 PolarHBondContact O-N 3.42Å |
| 29 | I | 93.1 | Very high | 86.9 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 176.7 | -70.1 | 165.9 | 0 | 0 | 0 | 110.5 | S25 L26 D27 E32 F33 | S25-I29 VanDerWaalsContact O-CG1 3.25Å; S25-I29 WeakPolarHBondContact O-CG1 3.49Å; S25-I29 PolarHBondContact O-N 3.3Å; L26-I29 PolarHBondContact O-N 3.37Å; D27-I29 PolarHBondContact O-N 2.97Å; I29-E32 PolarHBondContact O-N 3.35Å; I29-F33 WeakPolarHBondContact O-CB 3.34Å; I29-F33 PolarHBondContact O-N 3.12Å |
| 30 | K | 93.8 | Very high | 89.1 | Confident | 123 Ų | 123 | 106.5 Ų | 106.5 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 177.4 | -173.6 | -179.2 | 177.6 | -173.7 | 0 | 111.9 | L26 D27 R28 F33 Q34 | L26-K30 WeakPolarHBondContact O-CB 3.35Å; L26-K30 PolarHBondContact O-N 3.06Å; D27-K30 WeakPolarHBondContact O-CB 3.46Å; D27-K30 PolarHBondContact O-N 2.88Å; R28-K30 VanDerWaalsContact C-N 3.27Å; R28-K30 PolarHBondContact O-N 3.48Å; K30-F33 PolarHBondContact O-N 2.98Å; K30-Q34 WeakPolarHBondContact O-CB 3.31Å; K30-Q34 VanDerWaalsContact O-CG 3.29Å; K30-Q34 WeakPolarHBondContact O-CG 3.34Å; K30-Q34 PolarHBondContact O-N 3.46Å |
| 31 | E | 94.6 | Very high | 91 | Very high | 132 Ų | 132 | 107 Ų | 107 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 174.5 | -73 | 178 | 176.2 | 0 | 0 | 111.7 | D27 R28 F33 Q34 F35 | D27-E31 WeakPolarHBondContact O-CG 3.29Å; D27-E31 PolarHBondContact O-N 3.47Å; R28-E31 PolarHBondContact O-N 2.97Å; E31-F33 VanDerWaalsContact C-N 3.33Å; E31-F33 PolarHBondContact O-N 2.83Å; E31-Q34 PolarHBondContact O-N 2.92Å; E31-F35 WeakPolarHBondContact O-CB 3.49Å; E31-F35 PolarHBondContact O-N 3.4Å |
| 32 | E | 93.8 | Very high | 92.3 | Very high | 119 Ų | 119 | 106.6 Ų | 106.6 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -40 | 176.5 | -74.3 | 179.6 | -177.8 | 0 | 0 | 111.8 | R28 I29 F35 L36 | R28-E32 WeakPolarHBondContact O-CB 3.31Å; R28-E32 WeakPolarHBondContact O-CG 3.41Å; R28-E32 PolarHBondContact O-N 3.42Å; I29-E32 PolarHBondContact O-N 3.35Å; E32-F35 PolarHBondContact O-N 2.97Å; E32-L36 WeakPolarHBondContact O-CB 3.43Å; E32-L36 PolarHBondContact O-N 3.36Å |
| 33 | F | 96.2 | Very high | 93.3 | Very high | 131 Ų | 131 | 105 Ų | 105 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.8 | -43.8 | 175.2 | -177.4 | -96.5 | 0 | 0 | 0 | 112.1 | I29 K30 E31 F35 L36 Q37 | I29-F33 WeakPolarHBondContact O-CB 3.34Å; I29-F33 PolarHBondContact O-N 3.12Å; K30-F33 PolarHBondContact O-N 2.98Å; E31-F33 VanDerWaalsContact C-N 3.33Å; E31-F33 PolarHBondContact O-N 2.83Å; F33-F35 VanDerWaalsContact C-N 3.34Å; F33-L36 PolarHBondContact O-N 2.96Å; F33-Q37 VanDerWaalsContact O-CB 3.32Å; F33-Q37 WeakPolarHBondContact O-CB 3.36Å; F33-Q37 PolarHBondContact O-N 3.37Å |
| 34 | Q | 95.5 | Very high | 94 | Very high | 104 Ų | 104 | 106.2 Ų | 106.2 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 176.2 | -74.4 | 176.1 | 13.8 | 0 | 0 | 111.7 | K30 E31 Q37 A38 | K30-Q34 WeakPolarHBondContact O-CB 3.31Å; K30-Q34 VanDerWaalsContact O-CG 3.29Å; K30-Q34 WeakPolarHBondContact O-CG 3.34Å; K30-Q34 PolarHBondContact O-N 3.46Å; E31-Q34 PolarHBondContact O-N 2.92Å; Q34-Q37 PolarHBondContact O-N 3.49Å; Q34-A38 WeakPolarHBondContact O-CB 3.33Å; Q34-A38 PolarHBondContact O-N 3.43Å |
| 35 | F | 96.5 | Very high | 94.7 | Very high | 123 Ų | 123 | 105.4 Ų | 105.4 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -47 | 174.6 | 178.9 | -99.8 | 0 | 0 | 0 | 111.4 | E31 E32 F33 Q37 A38 Q39 | E31-F35 WeakPolarHBondContact O-CB 3.49Å; E31-F35 PolarHBondContact O-N 3.4Å; E32-F35 PolarHBondContact O-N 2.97Å; F33-F35 VanDerWaalsContact C-N 3.34Å; F35-Q37 VanDerWaalsContact C-N 3.32Å; F35-Q37 PolarHBondContact O-N 3.28Å; F35-A38 PolarHBondContact O-N 2.88Å; F35-Q39 HydrophobicContact CD1-CG 4.25Å; F35-Q39 HydrophobicContact CE1-CG 3.85Å; F35-Q39 HydrophobicContact CE2-CG 4.34Å; F35-Q39 HydrophobicContact CZ-CG 3.91Å; F35-Q39 WeakPolarHBondContact O-CG 3.3Å; F35-Q39 PolarHBondContact O-N 2.93Å |
| 36 | L | 96.9 | Very high | 95.3 | Very high | 113 Ų | 113 | 110 Ų | 110 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.4 | -41.5 | 176.8 | -177.9 | 62.6 | 0 | 0 | 0 | 111.7 | E32 F33 Q39 Y40 | E32-L36 WeakPolarHBondContact O-CB 3.43Å; E32-L36 PolarHBondContact O-N 3.36Å; F33-L36 PolarHBondContact O-N 2.96Å; L36-Q39 PolarHBondContact O-N 2.96Å; L36-Y40 WeakPolarHBondContact O-CB 3.47Å; L36-Y40 PolarHBondContact O-N 3.25Å |
| 37 | Q | 96 | Very high | 95.8 | Very high | 117 Ų | 117 | 108.4 Ų | 108.4 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 176.7 | -173.1 | 177.8 | 18.7 | 0 | 0 | 111.8 | F33 Q34 F35 Y40 H41 | F33-Q37 VanDerWaalsContact O-CB 3.32Å; F33-Q37 WeakPolarHBondContact O-CB 3.36Å; F33-Q37 PolarHBondContact O-N 3.37Å; Q34-Q37 PolarHBondContact O-N 3.49Å; F35-Q37 VanDerWaalsContact C-N 3.32Å; F35-Q37 PolarHBondContact O-N 3.28Å; Q37-Y40 PolarHBondContact O-N 2.96Å; Q37-H41 PolarHBondContact O-N 2.9Å |
| 38 | A | 96.5 | Very high | 96.1 | Very high | 61 Ų | 61 | 109 Ų | 109 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q34 F35 Y40 H41 S42 | Q34-A38 WeakPolarHBondContact O-CB 3.33Å; Q34-A38 PolarHBondContact O-N 3.43Å; F35-A38 PolarHBondContact O-N 2.88Å; A38-Y40 PolarHBondContact O-N 3.46Å; A38-H41 PolarHBondContact O-N 3.39Å; A38-S42 PolarHBondContact O-N 3.34Å |
| 39 | Q | 97.2 | Very high | 96.5 | Very high | 99 Ų | 99 | 108.7 Ų | 108.7 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 176.3 | -70.3 | -72.8 | 36.4 | 0 | 0 | 112.2 | F35 L36 H41 S42 L43 | F35-Q39 HydrophobicContact CD1-CG 4.25Å; F35-Q39 HydrophobicContact CE1-CG 3.85Å; F35-Q39 HydrophobicContact CE2-CG 4.34Å; F35-Q39 HydrophobicContact CZ-CG 3.91Å; F35-Q39 WeakPolarHBondContact O-CG 3.3Å; F35-Q39 PolarHBondContact O-N 2.93Å; L36-Q39 PolarHBondContact O-N 2.96Å; Q39-H41 PolarHBondContact O-N 3.44Å; Q39-S42 PolarHBondContact O-N 3.14Å; Q39-L43 VanDerWaalsContact O-CB 3.32Å; Q39-L43 WeakPolarHBondContact O-CB 3.28Å; Q39-L43 PolarHBondContact O-N 3.09Å |
| 40 | Y | 97 | Very high | 96.7 | Very high | 160 Ų | 160 | 109.1 Ų | 109.1 | 63% | 0.627 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.5 | -43.5 | 175.3 | 177.2 | -97.7 | 0 | 0 | 0 | 111.9 | L36 Q37 A38 L43 K44 | L36-Y40 WeakPolarHBondContact O-CB 3.47Å; L36-Y40 PolarHBondContact O-N 3.25Å; Q37-Y40 PolarHBondContact O-N 2.96Å; A38-Y40 PolarHBondContact O-N 3.46Å; Y40-L43 PolarHBondContact O-N 3.41Å; Y40-K44 WeakPolarHBondContact O-CB 3.39Å; Y40-K44 PolarHBondContact O-N 2.94Å |
| 41 | H | 97.9 | Very high | 96.9 | Very high | 112 Ų | 112 | 105.9 Ų | 105.9 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 177.9 | -173.4 | 54.5 | 0 | 0 | 0 | 111.9 | Q37 A38 Q39 L43 K44 L45 | Q37-H41 PolarHBondContact O-N 2.9Å; A38-H41 PolarHBondContact O-N 3.39Å; Q39-H41 PolarHBondContact O-N 3.44Å; H41-L43 PolarHBondContact O-N 3.5Å; H41-K44 PolarHBondContact O-N 3.32Å; H41-L45 WeakPolarHBondContact O-CG 3.22Å; H41-L45 PolarHBondContact O-N 2.85Å; H41-L45 VanDerWaalsContact O-N 3.13Å |
| 42 | S | 96.9 | Very high | 97 | Very high | 65 Ų | 65 | 103 Ų | 103 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 174.4 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | A38 Q39 K44 L45 E46 | A38-S42 PolarHBondContact O-N 3.34Å; Q39-S42 PolarHBondContact O-N 3.14Å; S42-K44 VanDerWaalsContact C-N 3.32Å; S42-K44 PolarHBondContact O-N 2.86Å; S42-L45 PolarHBondContact O-N 3.5Å; S42-E46 PolarHBondContact O-N 3Å |
| 43 | L | 97.9 | Very high | 97.3 | Very high | 98 Ų | 98 | 101.9 Ų | 101.9 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 178.8 | -176.9 | 63.2 | 0 | 0 | 0 | 111.8 | Q39 Y40 H41 L45 E46 C47 | Q39-L43 VanDerWaalsContact O-CB 3.32Å; Q39-L43 WeakPolarHBondContact O-CB 3.28Å; Q39-L43 PolarHBondContact O-N 3.09Å; Y40-L43 PolarHBondContact O-N 3.41Å; H41-L43 PolarHBondContact O-N 3.5Å; L43-L45 PolarHBondContact O-N 3.3Å; L43-E46 PolarHBondContact O-N 3.39Å; L43-C47 PolarHBondContact O-N 3.29Å; L43-C47 PolarHBondContact O-SG 3.39Å; L43-C47 VanDerWaalsContact O-SG 3.38Å |
| 44 | K | 97.6 | Very high | 97.3 | Very high | 103 Ų | 103 | 102.8 Ų | 102.8 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 176.8 | -177.2 | -177 | 173.6 | -173.3 | 0 | 111.5 | Y40 H41 S42 E46 C47 E48 | Y40-K44 WeakPolarHBondContact O-CB 3.39Å; Y40-K44 PolarHBondContact O-N 2.94Å; H41-K44 PolarHBondContact O-N 3.32Å; S42-K44 VanDerWaalsContact C-N 3.32Å; S42-K44 PolarHBondContact O-N 2.86Å; K44-E46 VanDerWaalsContact C-N 3.31Å; K44-E46 PolarHBondContact O-N 3.42Å; K44-C47 WeakPolarHBondContact O-CB 3.36Å; K44-C47 PolarHBondContact O-N 3.06Å; K44-E48 WeakPolarHBondContact CE-OE1 3.49Å; K44-E48 WeakPolarHBondContact O-CG 3.3Å; K44-E48 PolarHBondContact O-N 3.3Å |
| 45 | L | 97.8 | Very high | 97.5 | Very high | 88 Ų | 88 | 101.8 Ų | 101.8 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 177.4 | -68.4 | 172 | 0 | 0 | 0 | 111.5 | H41 S42 L43 E48 K49 | H41-L45 WeakPolarHBondContact O-CG 3.22Å; H41-L45 PolarHBondContact O-N 2.85Å; H41-L45 VanDerWaalsContact O-N 3.13Å; S42-L45 PolarHBondContact O-N 3.5Å; L43-L45 PolarHBondContact O-N 3.3Å; L45-E48 PolarHBondContact O-N 3.45Å; L45-K49 WeakPolarHBondContact O-CB 3.2Å; L45-K49 PolarHBondContact O-N 3.07Å |
| 46 | E | 97.6 | Very high | 97.5 | Very high | 123 Ų | 123 | 99.7 Ų | 99.7 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -40.1 | 175.2 | -168.5 | 173.3 | -172.3 | 0 | 0 | 111.9 | S42 L43 K44 K49 L50 | S42-E46 PolarHBondContact O-N 3Å; L43-E46 PolarHBondContact O-N 3.39Å; K44-E46 VanDerWaalsContact C-N 3.31Å; K44-E46 PolarHBondContact O-N 3.42Å; E46-K49 PolarHBondContact O-N 2.75Å; E46-L50 WeakPolarHBondContact O-CB 3.38Å; E46-L50 PolarHBondContact O-N 2.93Å |
| 47 | C | 97.6 | Very high | 97.5 | Very high | 74 Ų | 74 | 100.6 Ų | 100.6 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 174 | -72.2 | 0 | 0 | 0 | 0 | 112.7 | L43 K44 K49 L50 A51 | L43-C47 PolarHBondContact O-N 3.29Å; L43-C47 PolarHBondContact O-SG 3.39Å; L43-C47 VanDerWaalsContact O-SG 3.38Å; K44-C47 WeakPolarHBondContact O-CB 3.36Å; K44-C47 PolarHBondContact O-N 3.06Å; C47-K49 VanDerWaalsContact C-N 3.33Å; C47-L50 PolarHBondContact O-N 2.84Å; C47-A51 WeakPolarHBondContact O-CB 3.24Å; C47-A51 PolarHBondContact O-N 3.2Å |
| 48 | E | 97.6 | Very high | 97.6 | Very high | 105 Ų | 105 | 100.5 Ų | 100.5 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 176.6 | -73.4 | 172.8 | 178.5 | 0 | 0 | 111.2 | K44 L45 A51 S52 | K44-E48 WeakPolarHBondContact CE-OE1 3.49Å; K44-E48 WeakPolarHBondContact O-CG 3.3Å; K44-E48 PolarHBondContact O-N 3.3Å; L45-E48 PolarHBondContact O-N 3.45Å; E48-A51 PolarHBondContact O-N 3.24Å; E48-S52 PolarHBondContact O-N 2.9Å; E48-S52 VanDerWaalsContact O-N 3.14Å |
| 49 | K | 97.9 | Very high | 97.7 | Very high | 128 Ų | 128 | 103.7 Ų | 103.7 | 56% | 0.557 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -45.3 | 173.5 | -172.4 | -172 | 179.7 | -149.5 | 0 | 111.8 | L45 E46 C47 A51 S52 E53 | L45-K49 WeakPolarHBondContact O-CB 3.2Å; L45-K49 PolarHBondContact O-N 3.07Å; E46-K49 PolarHBondContact O-N 2.75Å; C47-K49 VanDerWaalsContact C-N 3.33Å; K49-A51 VanDerWaalsContact C-N 3.27Å; K49-A51 PolarHBondContact O-N 3.43Å; K49-S52 PolarHBondContact O-N 3.42Å; K49-S52 PolarHBondContact O-OG 3.01Å; K49-E53 WeakPolarHBondContact CE-OE1 3.48Å; K49-E53 IonicContact NZ-OE1 3.4Å; K49-E53 PolarHBondContact NZ-OE1 2.83Å; K49-E53 PolarHBondContact O-N 3.42Å |
| 50 | L | 98.3 | Very high | 97.7 | Very high | 113 Ų | 113 | 102.7 Ų | 102.7 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -34.4 | 179.7 | -168.6 | 65.9 | 0 | 0 | 0 | 111.7 | E46 C47 K54 | E46-L50 WeakPolarHBondContact O-CB 3.38Å; E46-L50 PolarHBondContact O-N 2.93Å; C47-L50 PolarHBondContact O-N 2.84Å; L50-K54 WeakPolarHBondContact O-CB 3.36Å; L50-K54 PolarHBondContact O-N 2.98Å |
| 51 | A | 97.9 | Very high | 97.8 | Very high | 55 Ų | 55 | 102.6 Ų | 102.6 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C47 E48 K49 T55 | C47-A51 WeakPolarHBondContact O-CB 3.24Å; C47-A51 PolarHBondContact O-N 3.2Å; E48-A51 PolarHBondContact O-N 3.24Å; K49-A51 VanDerWaalsContact C-N 3.27Å; K49-A51 PolarHBondContact O-N 3.43Å; A51-T55 PolarHBondContact O-N 3.25Å; A51-T55 VanDerWaalsContact O-N 3.16Å; A51-T55 PolarHBondContact O-OG1 3.28Å |
| 52 | S | 97.6 | Very high | 97.7 | Very high | 71 Ų | 71 | 100.2 Ų | 100.2 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.4 | -44.7 | 175.7 | 70.7 | 0 | 0 | 0 | 0 | 111.6 | E48 K49 K54 T55 E56 | E48-S52 PolarHBondContact O-N 2.9Å; E48-S52 VanDerWaalsContact O-N 3.14Å; K49-S52 PolarHBondContact O-N 3.42Å; K49-S52 PolarHBondContact O-OG 3.01Å; S52-K54 VanDerWaalsContact C-N 3.3Å; S52-K54 PolarHBondContact O-N 2.97Å; S52-T55 PolarHBondContact O-N 3.41Å; S52-T55 VanDerWaalsContact O-N 3.1Å; S52-E56 PolarHBondContact O-N 3.48Å |
| 53 | E | 98 | Very high | 97.7 | Very high | 96 Ų | 96 | 101.2 Ų | 101.2 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 174.1 | -71.9 | 178.8 | -173.3 | 0 | 0 | 112 | K49 T55 E56 M57 | K49-E53 WeakPolarHBondContact CE-OE1 3.48Å; K49-E53 IonicContact NZ-OE1 3.4Å; K49-E53 PolarHBondContact NZ-OE1 2.83Å; K49-E53 PolarHBondContact O-N 3.42Å; E53-T55 VanDerWaalsContact C-N 3.33Å; E53-T55 PolarHBondContact O-N 2.89Å; E53-E56 WeakPolarHBondContact O-CB 3.49Å; E53-E56 PolarHBondContact O-N 3.01Å; E53-M57 WeakPolarHBondContact O-CB 3.35Å; E53-M57 PolarHBondContact O-N 3.47Å |
| 54 | K | 97.9 | Very high | 97.7 | Very high | 150 Ų | 150 | 102 Ų | 102 | 65% | 0.652 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.6 | -42.8 | 174.3 | -179 | -175.1 | 175.7 | -175.1 | 0 | 111.9 | L50 S52 M57 Q58 | L50-K54 WeakPolarHBondContact O-CB 3.36Å; L50-K54 PolarHBondContact O-N 2.98Å; S52-K54 VanDerWaalsContact C-N 3.3Å; S52-K54 PolarHBondContact O-N 2.97Å; K54-M57 PolarHBondContact O-N 3.26Å; K54-Q58 WeakPolarHBondContact O-CB 3.3Å; K54-Q58 PolarHBondContact O-N 3Å |
| 55 | T | 98.2 | Very high | 97.7 | Very high | 84 Ų | 84 | 104.3 Ų | 104.3 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 180 | -54.4 | 0 | 0 | 0 | 0 | 111 | A51 S52 E53 Q58 R59 | A51-T55 PolarHBondContact O-N 3.25Å; A51-T55 VanDerWaalsContact O-N 3.16Å; A51-T55 PolarHBondContact O-OG1 3.28Å; S52-T55 PolarHBondContact O-N 3.41Å; S52-T55 VanDerWaalsContact O-N 3.1Å; E53-T55 VanDerWaalsContact C-N 3.33Å; E53-T55 PolarHBondContact O-N 2.89Å; T55-Q58 PolarHBondContact O-N 3.04Å; T55-R59 PolarHBondContact O-N 3.31Å |
| 56 | E | 97.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 106.3 Ų | 106.3 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 173.2 | -172.5 | 63.4 | -146 | 0 | 0 | 111.4 | S52 E53 Q58 R59 H60 | S52-E56 PolarHBondContact O-N 3.48Å; E53-E56 WeakPolarHBondContact O-CB 3.49Å; E53-E56 PolarHBondContact O-N 3.01Å; E56-Q58 VanDerWaalsContact C-N 3.3Å; E56-Q58 PolarHBondContact O-N 2.88Å; E56-R59 WeakPolarHBondContact O-CB 3.49Å; E56-R59 PolarHBondContact O-N 3.37Å; E56-R59 VanDerWaalsContact O-N 3.17Å; E56-R59 IonicContact OE1-CZ 3.79Å; E56-R59 IonicContact OE1-NH1 2.7Å; E56-R59 PolarHBondContact OE1-NH1 2.89Å; E56-R59 IonicContact OE2-CZ 3.16Å; E56-R59 IonicContact OE2-NH1 2.79Å; E56-R59 PolarHBondContact OE2-NH1 2.88Å; E56-R59 IonicContact OE2-NH2 2.67Å; E56-R59 PolarHBondContact OE2-NH2 3.3Å; E56-H60 PolarHBondContact O-N 3.27Å; E56-H60 VanDerWaalsContact O-N 3.11Å; E56-H60 IonicContact OE1-CE1 3.27Å; E56-H60 PolarHBondContact OE1-CE1 3.42Å; E56-H60 VanDerWaalsContact OE1-CE1 3.27Å; E56-H60 IonicContact OE1-NE2 3.61Å |
| 57 | M | 97.8 | Very high | 97.5 | Very high | 132 Ų | 132 | 104.9 Ų | 104.9 | 65% | 0.65 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.2 | -41.6 | 177.2 | -171.4 | 62.7 | 66.2 | 0 | 0 | 111.5 | E53 K54 R59 H60 Y61 | E53-M57 WeakPolarHBondContact O-CB 3.35Å; E53-M57 PolarHBondContact O-N 3.47Å; K54-M57 PolarHBondContact O-N 3.26Å; M57-R59 VanDerWaalsContact C-N 3.31Å; M57-R59 PolarHBondContact O-N 3.11Å; M57-H60 PolarHBondContact O-N 3.45Å; M57-Y61 WeakPolarHBondContact O-CB 3.33Å; M57-Y61 PolarHBondContact O-N 2.87Å |
| 58 | Q | 98 | Very high | 97.5 | Very high | 115 Ų | 115 | 104.5 Ų | 104.5 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 177.6 | -177.8 | 167.4 | -4.1 | 0 | 0 | 112 | K54 T55 E56 Y61 V62 | K54-Q58 WeakPolarHBondContact O-CB 3.3Å; K54-Q58 PolarHBondContact O-N 3Å; T55-Q58 PolarHBondContact O-N 3.04Å; E56-Q58 VanDerWaalsContact C-N 3.3Å; E56-Q58 PolarHBondContact O-N 2.88Å; Q58-Y61 PolarHBondContact O-N 3.45Å; Q58-V62 WeakPolarHBondContact O-CG2 3.48Å; Q58-V62 PolarHBondContact O-N 2.97Å |
| 59 | R | 97.9 | Very high | 97.5 | Very high | 127 Ų | 127 | 106.5 Ų | 106.5 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 176.4 | -162.5 | -172.5 | -35.9 | 93.6 | 2.2 | 111.6 | T55 E56 M57 Y61 V62 M63 | T55-R59 PolarHBondContact O-N 3.31Å; E56-R59 WeakPolarHBondContact O-CB 3.49Å; E56-R59 PolarHBondContact O-N 3.37Å; E56-R59 VanDerWaalsContact O-N 3.17Å; E56-R59 IonicContact OE1-CZ 3.79Å; E56-R59 IonicContact OE1-NH1 2.7Å; E56-R59 PolarHBondContact OE1-NH1 2.89Å; E56-R59 IonicContact OE2-CZ 3.16Å; E56-R59 IonicContact OE2-NH1 2.79Å; E56-R59 PolarHBondContact OE2-NH1 2.88Å; E56-R59 IonicContact OE2-NH2 2.67Å; E56-R59 PolarHBondContact OE2-NH2 3.3Å; M57-R59 VanDerWaalsContact C-N 3.31Å; M57-R59 PolarHBondContact O-N 3.11Å; R59-Y61 VanDerWaalsContact C-N 3.31Å; R59-Y61 PolarHBondContact O-N 3.48Å; R59-V62 PolarHBondContact O-N 3.31Å; R59-M63 WeakPolarHBondContact O-CB 3.18Å; R59-M63 PolarHBondContact O-N 3.44Å |
| 60 | H | 97.2 | Very high | 97.4 | Very high | 79 Ų | 79 | 102.2 Ų | 102.2 | 37% | 0.366 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 174.7 | -70.5 | 145.3 | 0 | 0 | 0 | 111.6 | E56 M57 V62 M63 Y64 | E56-H60 PolarHBondContact O-N 3.27Å; E56-H60 VanDerWaalsContact O-N 3.11Å; E56-H60 IonicContact OE1-CE1 3.27Å; E56-H60 PolarHBondContact OE1-CE1 3.42Å; E56-H60 VanDerWaalsContact OE1-CE1 3.27Å; E56-H60 IonicContact OE1-NE2 3.61Å; M57-H60 PolarHBondContact O-N 3.45Å; H60-V62 PolarHBondContact O-N 3.41Å; H60-M63 PolarHBondContact O-N 3.31Å; H60-Y64 HydrophobicContact CB-CD2 4.49Å; H60-Y64 VanDerWaalsContact O-CD2 3.25Å; H60-Y64 WeakPolarHBondContact O-CD2 3.47Å; H60-Y64 PolarHBondContact O-N 2.99Å |
| 61 | Y | 98.2 | Very high | 97.3 | Very high | 157 Ų | 157 | 102.2 Ų | 102.2 | 62% | 0.616 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.2 | -50.3 | 177.4 | 174.1 | -98.3 | 0 | 0 | 0 | 112.1 | M57 Q58 R59 Y64 Y65 | M57-Y61 WeakPolarHBondContact O-CB 3.33Å; M57-Y61 PolarHBondContact O-N 2.87Å; Q58-Y61 PolarHBondContact O-N 3.45Å; R59-Y61 VanDerWaalsContact C-N 3.31Å; R59-Y61 PolarHBondContact O-N 3.48Å; Y61-Y64 PolarHBondContact O-N 3.15Å; Y61-Y65 WeakPolarHBondContact O-CB 3.46Å; Y61-Y65 PolarHBondContact O-N 3.24Å |
| 62 | V | 97.6 | Very high | 97.3 | Very high | 62 Ų | 62 | 103 Ų | 103 | 38% | 0.376 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 178.3 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | Q58 R59 H60 Y64 Y65 E66 | Q58-V62 WeakPolarHBondContact O-CG2 3.48Å; Q58-V62 PolarHBondContact O-N 2.97Å; R59-V62 PolarHBondContact O-N 3.31Å; H60-V62 PolarHBondContact O-N 3.41Å; V62-Y64 PolarHBondContact O-N 2.93Å; V62-Y65 WeakPolarHBondContact O-CB 3.33Å; V62-Y65 PolarHBondContact O-N 2.89Å; V62-Y65 VanDerWaalsContact O-N 3.15Å; V62-E66 HydrophobicContact CG1-CG 4.43Å; V62-E66 WeakPolarHBondContact O-CG 3.43Å; V62-E66 PolarHBondContact O-N 3.48Å |
| 63 | M | 96.7 | Very high | 97.3 | Very high | 86 Ų | 86 | 103.5 Ų | 103.5 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 178.8 | -176.1 | -176 | 73.2 | 0 | 0 | 112.1 | R59 H60 M67 | R59-M63 WeakPolarHBondContact O-CB 3.18Å; R59-M63 PolarHBondContact O-N 3.44Å; H60-M63 PolarHBondContact O-N 3.31Å; M63-M67 VanDerWaalsContact O-CB 3.3Å; M63-M67 WeakPolarHBondContact O-CB 3.33Å; M63-M67 PolarHBondContact O-N 2.91Å |
| 64 | Y | 97.4 | Very high | 97.2 | Very high | 116 Ų | 116 | 102.5 Ų | 102.5 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 176.9 | -84.7 | -73.5 | 0 | 0 | 0 | 112.5 | H60 Y61 V62 M67 S68 | H60-Y64 HydrophobicContact CB-CD2 4.49Å; H60-Y64 VanDerWaalsContact O-CD2 3.25Å; H60-Y64 WeakPolarHBondContact O-CD2 3.47Å; H60-Y64 PolarHBondContact O-N 2.99Å; Y61-Y64 PolarHBondContact O-N 3.15Å; V62-Y64 PolarHBondContact O-N 2.93Å; Y64-M67 HydrophobicContact CD1-CE 3.41Å; Y64-M67 VanDerWaalsContact CD1-CE 3.41Å; Y64-M67 HydrophobicContact CE1-CE 3.55Å; Y64-M67 HydrophobicContact CG-CE 4.39Å; Y64-S68 WeakPolarHBondContact O-CB 3.35Å; Y64-S68 PolarHBondContact O-N 2.93Å; Y64-S68 PolarHBondContact O-OG 3.24Å |
| 65 | Y | 98.1 | Very high | 97.2 | Very high | 150 Ų | 150 | 100 Ų | 100 | 59% | 0.588 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.1 | -50.8 | 176.7 | 179.9 | -95.7 | 0 | 0 | 0 | 111.4 | Y61 V62 S68 Y69 | Y61-Y65 WeakPolarHBondContact O-CB 3.46Å; Y61-Y65 PolarHBondContact O-N 3.24Å; V62-Y65 WeakPolarHBondContact O-CB 3.33Å; V62-Y65 PolarHBondContact O-N 2.89Å; V62-Y65 VanDerWaalsContact O-N 3.15Å; Y65-S68 PolarHBondContact O-N 2.69Å; Y65-Y69 WeakPolarHBondContact O-CB 3.44Å; Y65-Y69 PolarHBondContact O-N 3.43Å |
| 66 | E | 94.9 | Very high | 97.2 | Very high | 130 Ų | 130 | 101.3 Ų | 101.3 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 179 | -68.5 | 179.7 | 160.2 | 0 | 0 | 111.7 | V62 S68 Y69 G70 | V62-E66 HydrophobicContact CG1-CG 4.43Å; V62-E66 WeakPolarHBondContact O-CG 3.43Å; V62-E66 PolarHBondContact O-N 3.48Å; E66-S68 PolarHBondContact O-N 2.92Å; E66-Y69 PolarHBondContact O-N 2.67Å; E66-G70 PolarHBondContact O-N 3.36Å |
| 67 | M | 95.4 | Very high | 97.3 | Very high | 93 Ų | 93 | 102.4 Ų | 102.4 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 177.7 | -178.2 | 174.6 | 60.9 | 0 | 0 | 111.7 | M63 Y64 Y69 G70 L71 | M63-M67 VanDerWaalsContact O-CB 3.3Å; M63-M67 WeakPolarHBondContact O-CB 3.33Å; M63-M67 PolarHBondContact O-N 2.91Å; Y64-M67 HydrophobicContact CD1-CE 3.41Å; Y64-M67 VanDerWaalsContact CD1-CE 3.41Å; Y64-M67 HydrophobicContact CE1-CE 3.55Å; Y64-M67 HydrophobicContact CG-CE 4.39Å; M67-Y69 VanDerWaalsContact C-N 3.3Å; M67-Y69 PolarHBondContact O-N 3.26Å; M67-G70 PolarHBondContact O-N 2.99Å; M67-L71 HydrophobicContact CG-CD1 3.98Å; M67-L71 HydrophobicContact CG-CG 4.34Å; M67-L71 WeakPolarHBondContact O-CB 3.42Å; M67-L71 WeakPolarHBondContact O-CG 3.3Å; M67-L71 PolarHBondContact O-N 3.22Å |
| 68 | S | 96.9 | Very high | 97.2 | Very high | 66 Ų | 66 | 100.8 Ų | 100.8 | 46% | 0.462 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 179.1 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | Y64 Y65 E66 N72 | Y64-S68 WeakPolarHBondContact O-CB 3.35Å; Y64-S68 PolarHBondContact O-N 2.93Å; Y64-S68 PolarHBondContact O-OG 3.24Å; Y65-S68 PolarHBondContact O-N 2.69Å; E66-S68 PolarHBondContact O-N 2.92Å; S68-N72 WeakPolarHBondContact O-CB 3.33Å; S68-N72 PolarHBondContact O-N 3.17Å |
| 69 | Y | 98.2 | Very high | 97.2 | Very high | 147 Ų | 147 | 99.4 Ų | 99.4 | 58% | 0.576 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63 | -45.5 | 175.8 | -176.8 | -106.4 | 0 | 0 | 0 | 112 | Y65 E66 M67 N72 I73 | Y65-Y69 WeakPolarHBondContact O-CB 3.44Å; Y65-Y69 PolarHBondContact O-N 3.43Å; E66-Y69 PolarHBondContact O-N 2.67Å; M67-Y69 VanDerWaalsContact C-N 3.3Å; M67-Y69 PolarHBondContact O-N 3.26Å; Y69-N72 PolarHBondContact O-N 3.41Å; Y69-I73 HydrophobicContact CD1-CD1 3.97Å; Y69-I73 HydrophobicContact CE1-CD1 3.41Å; Y69-I73 VanDerWaalsContact CE1-CD1 3.41Å; Y69-I73 HydrophobicContact CE1-CG1 4.41Å; Y69-I73 HydrophobicContact CE2-CD1 4.39Å; Y69-I73 PolarHBondContact O-N 3.07Å |
| 70 | G | 96.2 | Very high | 97.2 | Very high | 38 Ų | 38 | 96.9 Ų | 96.9 | 39% | 0.392 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E66 M67 N72 I73 E74 | E66-G70 PolarHBondContact O-N 3.36Å; M67-G70 PolarHBondContact O-N 2.99Å; G70-N72 VanDerWaalsContact C-N 3.28Å; G70-N72 PolarHBondContact O-N 3.05Å; G70-I73 PolarHBondContact O-N 3.36Å; G70-E74 PolarHBondContact O-N 2.94Å; G70-E74 VanDerWaalsContact O-N 3.09Å |
| 71 | L | 96.3 | Very high | 97.2 | Very high | 113 Ų | 113 | 96.4 Ų | 96.4 | 59% | 0.592 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.1 | -39.4 | 175.5 | -71 | 174.7 | 0 | 0 | 0 | 111.7 | M67 E74 M75 | M67-L71 HydrophobicContact CG-CD1 3.98Å; M67-L71 HydrophobicContact CG-CG 4.34Å; M67-L71 WeakPolarHBondContact O-CB 3.42Å; M67-L71 WeakPolarHBondContact O-CG 3.3Å; M67-L71 PolarHBondContact O-N 3.22Å; L71-E74 PolarHBondContact O-N 3.47Å; L71-M75 VanDerWaalsContact O-CB 3.24Å; L71-M75 WeakPolarHBondContact O-CB 3.45Å; L71-M75 PolarHBondContact O-N 3.06Å |
| 72 | N | 97.1 | Very high | 97.2 | Very high | 73 Ų | 73 | 91.7 Ų | 91.7 | 39% | 0.39 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 179.3 | -170.9 | 59.7 | 0 | 0 | 0 | 112.3 | S68 Y69 G70 M75 H76 | S68-N72 WeakPolarHBondContact O-CB 3.33Å; S68-N72 PolarHBondContact O-N 3.17Å; Y69-N72 PolarHBondContact O-N 3.41Å; G70-N72 VanDerWaalsContact C-N 3.28Å; G70-N72 PolarHBondContact O-N 3.05Å; N72-M75 VanDerWaalsContact OD1-CE 3.3Å; N72-M75 WeakPolarHBondContact OD1-CE 3.27Å; N72-H76 PolarHBondContact O-CD2 3.15Å; N72-H76 VanDerWaalsContact O-CD2 3.24Å; N72-H76 PolarHBondContact O-N 3.27Å; N72-H76 VanDerWaalsContact O-N 3.07Å |
| 73 | I | 98 | Very high | 97.2 | Very high | 80 Ų | 80 | 95 Ų | 95 | 41% | 0.41 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.3 | -50.7 | 174.5 | -70.4 | 173.2 | 0 | 0 | 0 | 110.2 | Y69 G70 M75 H76 K77 | Y69-I73 HydrophobicContact CD1-CD1 3.97Å; Y69-I73 HydrophobicContact CE1-CD1 3.41Å; Y69-I73 VanDerWaalsContact CE1-CD1 3.41Å; Y69-I73 HydrophobicContact CE1-CG1 4.41Å; Y69-I73 HydrophobicContact CE2-CD1 4.39Å; Y69-I73 PolarHBondContact O-N 3.07Å; G70-I73 PolarHBondContact O-N 3.36Å; I73-M75 VanDerWaalsContact C-N 3.33Å; I73-M75 PolarHBondContact O-N 3.44Å; I73-H76 PolarHBondContact O-N 3.44Å; I73-K77 WeakPolarHBondContact O-CB 3.48Å; I73-K77 PolarHBondContact O-N 3.17Å |
| 74 | E | 96.9 | Very high | 97.2 | Very high | 75 Ų | 75 | 98.4 Ų | 98.4 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.5 | -37.8 | -176.2 | -163.8 | 61.4 | -139.1 | 0 | 0 | 111.2 | G70 L71 H76 K77 Q78 | G70-E74 PolarHBondContact O-N 2.94Å; G70-E74 VanDerWaalsContact O-N 3.09Å; L71-E74 PolarHBondContact O-N 3.47Å; E74-H76 PolarHBondContact O-N 2.93Å; E74-K77 VanDerWaalsContact CD-NZ 3.33Å; E74-K77 PolarHBondContact O-N 3.47Å; E74-K77 IonicContact OE1-NZ 2.83Å; E74-K77 PolarHBondContact OE1-NZ 3.35Å; E74-K77 IonicContact OE2-NZ 2.98Å; E74-K77 PolarHBondContact OE2-NZ 3.39Å; E74-Q78 HydrophobicContact CG-CG 4.39Å; E74-Q78 WeakPolarHBondContact O-CB 3.31Å; E74-Q78 VanDerWaalsContact O-CG 3.3Å; E74-Q78 WeakPolarHBondContact O-CG 3.45Å; E74-Q78 PolarHBondContact O-N 3.47Å; E74-Q78 PolarHBondContact OE1-NE2 3.32Å |
| 75 | M | 97.1 | Very high | 97.3 | Very high | 98 Ų | 98 | 97.6 Ų | 97.6 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.6 | -51.9 | 172.8 | 178.4 | -167.2 | 68.6 | 0 | 0 | 111.5 | L71 N72 I73 K77 Q78 T79 | L71-M75 VanDerWaalsContact O-CB 3.24Å; L71-M75 WeakPolarHBondContact O-CB 3.45Å; L71-M75 PolarHBondContact O-N 3.06Å; N72-M75 VanDerWaalsContact OD1-CE 3.3Å; N72-M75 WeakPolarHBondContact OD1-CE 3.27Å; I73-M75 VanDerWaalsContact C-N 3.33Å; I73-M75 PolarHBondContact O-N 3.44Å; M75-K77 VanDerWaalsContact C-N 3.33Å; M75-K77 PolarHBondContact O-N 3.43Å; M75-Q78 PolarHBondContact O-N 2.97Å; M75-T79 WeakPolarHBondContact O-CB 3.38Å; M75-T79 PolarHBondContact O-N 3.11Å; M75-T79 PolarHBondContact O-OG1 3.33Å |
| 76 | H | 98.3 | Very high | 97.1 | Very high | 111 Ų | 111 | 93.3 Ų | 93.3 | 51% | 0.514 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 179.4 | -79.1 | -57.5 | 0 | 0 | 0 | 112.2 | N72 I73 E74 T79 E80 | N72-H76 PolarHBondContact O-CD2 3.15Å; N72-H76 VanDerWaalsContact O-CD2 3.24Å; N72-H76 PolarHBondContact O-N 3.27Å; N72-H76 VanDerWaalsContact O-N 3.07Å; I73-H76 PolarHBondContact O-N 3.44Å; E74-H76 PolarHBondContact O-N 2.93Å; H76-T79 PolarHBondContact O-N 3.42Å; H76-E80 WeakPolarHBondContact O-CB 3.28Å; H76-E80 PolarHBondContact O-N 3.47Å |
| 77 | K | 98.1 | Very high | 97.2 | Very high | 102 Ų | 102 | 90.1 Ų | 90.1 | 44% | 0.443 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 175.4 | 174.4 | 179.2 | 158.3 | -139.8 | 0 | 111.9 | I73 E74 M75 T79 E80 I81 | I73-K77 WeakPolarHBondContact O-CB 3.48Å; I73-K77 PolarHBondContact O-N 3.17Å; E74-K77 VanDerWaalsContact CD-NZ 3.33Å; E74-K77 PolarHBondContact O-N 3.47Å; E74-K77 IonicContact OE1-NZ 2.83Å; E74-K77 PolarHBondContact OE1-NZ 3.35Å; E74-K77 IonicContact OE2-NZ 2.98Å; E74-K77 PolarHBondContact OE2-NZ 3.39Å; M75-K77 VanDerWaalsContact C-N 3.33Å; M75-K77 PolarHBondContact O-N 3.43Å; K77-T79 VanDerWaalsContact C-N 3.32Å; K77-T79 PolarHBondContact O-N 3.01Å; K77-E80 PolarHBondContact O-N 3Å; K77-I81 HydrophobicContact CG-CD1 4.03Å; K77-I81 VanDerWaalsContact O-CG1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.25Å; K77-I81 PolarHBondContact O-N 2.91Å |
| 78 | Q | 97.5 | Very high | 97.2 | Very high | 98 Ų | 98 | 90.1 Ų | 90.1 | 46% | 0.458 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 178.2 | -65.6 | -59.8 | -22 | 0 | 0 | 111.8 | E74 M75 E80 I81 A82 | E74-Q78 HydrophobicContact CG-CG 4.39Å; E74-Q78 WeakPolarHBondContact O-CB 3.31Å; E74-Q78 VanDerWaalsContact O-CG 3.3Å; E74-Q78 WeakPolarHBondContact O-CG 3.45Å; E74-Q78 PolarHBondContact O-N 3.47Å; E74-Q78 PolarHBondContact OE1-NE2 3.32Å; M75-Q78 PolarHBondContact O-N 2.97Å; Q78-E80 PolarHBondContact O-N 3.5Å; Q78-I81 PolarHBondContact O-N 2.83Å; Q78-A82 WeakPolarHBondContact O-CB 3.4Å; Q78-A82 PolarHBondContact O-N 2.96Å |
| 79 | T | 97.2 | Very high | 97.1 | Very high | 86 Ų | 86 | 89.2 Ų | 89.2 | 53% | 0.528 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.2 | -58 | 0 | 0 | 0 | 0 | 111.5 | M75 H76 K77 A82 K83 | M75-T79 WeakPolarHBondContact O-CB 3.38Å; M75-T79 PolarHBondContact O-N 3.11Å; M75-T79 PolarHBondContact O-OG1 3.33Å; H76-T79 PolarHBondContact O-N 3.42Å; K77-T79 VanDerWaalsContact C-N 3.32Å; K77-T79 PolarHBondContact O-N 3.01Å; T79-A82 PolarHBondContact O-N 3.28Å; T79-K83 WeakPolarHBondContact O-CB 3.49Å; T79-K83 PolarHBondContact O-N 3.42Å |
| 80 | E | 97.9 | Very high | 96.9 | Very high | 74 Ų | 74 | 84.9 Ų | 84.9 | 35% | 0.346 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 178.4 | -178.3 | 59.2 | -158.9 | 0 | 0 | 111.8 | H76 K77 Q78 K83 R84 | H76-E80 WeakPolarHBondContact O-CB 3.28Å; H76-E80 PolarHBondContact O-N 3.47Å; K77-E80 PolarHBondContact O-N 3Å; Q78-E80 PolarHBondContact O-N 3.5Å; E80-K83 PolarHBondContact O-N 3.45Å; E80-R84 WeakPolarHBondContact O-CG 3.32Å; E80-R84 PolarHBondContact O-N 2.7Å; E80-R84 IonicContact OE1-CZ 3.53Å; E80-R84 IonicContact OE1-NE 2.85Å; E80-R84 PolarHBondContact OE1-NE 2.94Å; E80-R84 IonicContact OE1-NH2 3.31Å; E80-R84 PolarHBondContact OE1-NH2 3.37Å |
| 81 | I | 97.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 88.9 Ų | 88.9 | 35% | 0.354 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.8 | -50.5 | 172.9 | -68.9 | 166.5 | 0 | 0 | 0 | 110.2 | K77 Q78 K83 R84 L85 | K77-I81 HydrophobicContact CG-CD1 4.03Å; K77-I81 VanDerWaalsContact O-CG1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.25Å; K77-I81 PolarHBondContact O-N 2.91Å; Q78-I81 PolarHBondContact O-N 2.83Å; I81-K83 VanDerWaalsContact C-N 3.29Å; I81-K83 PolarHBondContact O-N 3.28Å; I81-R84 PolarHBondContact O-N 3.14Å; I81-L85 HydrophobicContact CG2-CD1 3.86Å; I81-L85 HydrophobicContact CG2-CG 4.27Å; I81-L85 WeakPolarHBondContact O-CG 3.42Å; I81-L85 PolarHBondContact O-N 3.1Å |
| 82 | A | 97.1 | Very high | 96.7 | Very high | 58 Ų | 58 | 87 Ų | 87 | 48% | 0.479 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q78 T79 L85 N86 | Q78-A82 WeakPolarHBondContact O-CB 3.4Å; Q78-A82 PolarHBondContact O-N 2.96Å; T79-A82 PolarHBondContact O-N 3.28Å; A82-L85 PolarHBondContact O-N 3.45Å; A82-N86 WeakPolarHBondContact O-CB 3.4Å; A82-N86 PolarHBondContact O-N 2.96Å |
| 83 | K | 97.4 | Very high | 96.4 | Very high | 132 Ų | 132 | 85.2 Ų | 85.2 | 57% | 0.574 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61 | -48 | 175.7 | -176.3 | -178.2 | 175.4 | -173.8 | 0 | 112 | T79 E80 I81 N86 T87 | T79-K83 WeakPolarHBondContact O-CB 3.49Å; T79-K83 PolarHBondContact O-N 3.42Å; E80-K83 PolarHBondContact O-N 3.45Å; I81-K83 VanDerWaalsContact C-N 3.29Å; I81-K83 PolarHBondContact O-N 3.28Å; K83-N86 PolarHBondContact O-N 3.35Å; K83-T87 PolarHBondContact O-N 2.67Å; K83-T87 PolarHBondContact O-OG1 2.79Å |
| 84 | R | 98.3 | Very high | 96.2 | Very high | 157 Ų | 157 | 85.6 Ų | 85.6 | 59% | 0.592 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.3 | -44.2 | 178.9 | -71.2 | 175.9 | -174.2 | -165.6 | 1.4 | 111.9 | E80 I81 N86 T87 I88 | E80-R84 WeakPolarHBondContact O-CG 3.32Å; E80-R84 PolarHBondContact O-N 2.7Å; E80-R84 IonicContact OE1-CZ 3.53Å; E80-R84 IonicContact OE1-NE 2.85Å; E80-R84 PolarHBondContact OE1-NE 2.94Å; E80-R84 IonicContact OE1-NH2 3.31Å; E80-R84 PolarHBondContact OE1-NH2 3.37Å; I81-R84 PolarHBondContact O-N 3.14Å; R84-N86 VanDerWaalsContact C-N 3.32Å; R84-N86 PolarHBondContact O-N 3.2Å; R84-T87 WeakPolarHBondContact O-CB 3.4Å; R84-T87 PolarHBondContact O-N 2.94Å; R84-I88 WeakPolarHBondContact O-CG1 3.34Å; R84-I88 PolarHBondContact O-N 3.16Å |
| 85 | L | 97.5 | Very high | 96.1 | Very high | 100 Ų | 100 | 90.5 Ų | 90.5 | 52% | 0.524 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 175.4 | -69.5 | 176.2 | 0 | 0 | 0 | 111.1 | I81 A82 T87 I88 C89 | I81-L85 HydrophobicContact CG2-CD1 3.86Å; I81-L85 HydrophobicContact CG2-CG 4.27Å; I81-L85 WeakPolarHBondContact O-CG 3.42Å; I81-L85 PolarHBondContact O-N 3.1Å; A82-L85 PolarHBondContact O-N 3.45Å; L85-T87 VanDerWaalsContact C-N 3.34Å; L85-T87 PolarHBondContact O-N 3.31Å; L85-I88 PolarHBondContact O-N 2.91Å; L85-C89 PolarHBondContact O-N 3.37Å; L85-C89 PolarHBondContact O-SG 3.37Å; L85-C89 VanDerWaalsContact O-SG 3.35Å |
| 86 | N | 95.1 | Very high | 95.8 | Very high | 60 Ų | 60 | 88.8 Ų | 88.8 | 32% | 0.321 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 176.6 | -174.1 | 65.8 | 0 | 0 | 0 | 112.4 | A82 K83 R84 C89 A90 V108 | A82-N86 WeakPolarHBondContact O-CB 3.4Å; A82-N86 PolarHBondContact O-N 2.96Å; K83-N86 PolarHBondContact O-N 3.35Å; R84-N86 VanDerWaalsContact C-N 3.32Å; R84-N86 PolarHBondContact O-N 3.2Å; N86-C89 PolarHBondContact O-N 3Å; N86-A90 WeakPolarHBondContact O-CB 3.48Å; N86-A90 PolarHBondContact O-N 3.27Å; N86-V108 WeakPolarHBondContact OD1-CG1 3.44Å |
| 87 | T | 96.6 | Very high | 95.4 | Very high | 63 Ų | 63 | 86.5 Ų | 86.5 | 39% | 0.387 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 173.3 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | K83 R84 L85 A90 Q91 | K83-T87 PolarHBondContact O-N 2.67Å; K83-T87 PolarHBondContact O-OG1 2.79Å; R84-T87 WeakPolarHBondContact O-CB 3.4Å; R84-T87 PolarHBondContact O-N 2.94Å; L85-T87 VanDerWaalsContact C-N 3.34Å; L85-T87 PolarHBondContact O-N 3.31Å; T87-A90 PolarHBondContact O-N 3.09Å; T87-Q91 WeakPolarHBondContact O-CG 3.19Å; T87-Q91 PolarHBondContact O-N 2.82Å |
| 88 | I | 96.3 | Very high | 94.8 | Very high | 92 Ų | 92 | 88.6 Ų | 88.6 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 176.9 | -65.9 | 164.3 | 0 | 0 | 0 | 110.2 | R84 L85 A90 Q91 V92 | R84-I88 WeakPolarHBondContact O-CG1 3.34Å; R84-I88 PolarHBondContact O-N 3.16Å; L85-I88 PolarHBondContact O-N 2.91Å; I88-A90 VanDerWaalsContact C-N 3.32Å; I88-A90 PolarHBondContact O-N 2.87Å; I88-Q91 PolarHBondContact O-N 2.98Å; I88-Q91 VanDerWaalsContact O-N 3.12Å; I88-V92 HydrophobicContact CG2-CG2 4.27Å; I88-V92 WeakPolarHBondContact O-CG2 3.47Å; I88-V92 PolarHBondContact O-N 2.94Å |
| 89 | C | 94.3 | Very high | 94.4 | Very high | 47 Ų | 47 | 91.4 Ų | 91.4 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.4 | -46 | 176 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | L85 N86 Q91 V92 I93 V108 | L85-C89 PolarHBondContact O-N 3.37Å; L85-C89 PolarHBondContact O-SG 3.37Å; L85-C89 VanDerWaalsContact O-SG 3.35Å; N86-C89 PolarHBondContact O-N 3Å; C89-Q91 VanDerWaalsContact C-N 3.3Å; C89-Q91 PolarHBondContact O-N 3.37Å; C89-V92 PolarHBondContact O-N 3.36Å; C89-I93 VanDerWaalsContact O-CG1 3.29Å; C89-I93 WeakPolarHBondContact O-CG1 3.45Å; C89-I93 PolarHBondContact O-N 3.3Å; C89-V108 HydrophobicContact CB-CG2 4.04Å |
| 90 | A | 93.5 | Very high | 94.1 | Very high | 57 Ų | 57 | 91.6 Ų | 91.6 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.4 | -35.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N86 T87 I88 P94 | N86-A90 WeakPolarHBondContact O-CB 3.48Å; N86-A90 PolarHBondContact O-N 3.27Å; T87-A90 PolarHBondContact O-N 3.09Å; I88-A90 VanDerWaalsContact C-N 3.32Å; I88-A90 PolarHBondContact O-N 2.87Å; A90-P94 VanDerWaalsContact O-CD 3.26Å; A90-P94 WeakPolarHBondContact O-CD 3.5Å |
| 91 | Q | 94.9 | Very high | 93.8 | Very high | 122 Ų | 122 | 90.3 Ų | 90.3 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73.1 | -30.2 | 175.9 | -72 | 174.9 | 2.2 | 0 | 0 | 112.8 | T87 I88 C89 P94 F95 | T87-Q91 WeakPolarHBondContact O-CG 3.19Å; T87-Q91 PolarHBondContact O-N 2.82Å; I88-Q91 PolarHBondContact O-N 2.98Å; I88-Q91 VanDerWaalsContact O-N 3.12Å; C89-Q91 VanDerWaalsContact C-N 3.3Å; C89-Q91 PolarHBondContact O-N 3.37Å; Q91-P94 WeakPolarHBondContact O-CD 3.33Å; Q91-F95 VanDerWaalsContact O-CD2 3.24Å; Q91-F95 WeakPolarHBondContact O-CD2 3.33Å; Q91-F95 WeakPolarHBondContact O-CE2 3.1Å |
| 92 | V | 94.1 | Very high | 93.4 | Very high | 73 Ų | 73 | 94 Ų | 94 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -80.7 | -31.9 | -179.4 | 174.2 | 0 | 0 | 0 | 0 | 112.2 | I88 C89 F95 | I88-V92 HydrophobicContact CG2-CG2 4.27Å; I88-V92 WeakPolarHBondContact O-CG2 3.47Å; I88-V92 PolarHBondContact O-N 2.94Å; C89-V92 PolarHBondContact O-N 3.36Å; V92-F95 WeakPolarHBondContact O-CB 3.4Å; V92-F95 PolarHBondContact O-N 2.88Å |
| 93 | I | 91.4 | Very high | 93.2 | Very high | 36 Ų | 36 | 96.9 Ų | 96.9 | 19% | 0.185 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -49.1 | -48.7 | -178.1 | -76.2 | 165 | 0 | 0 | 0 | 113.1 | C89 F95 L96 Q101 V104 A105 | C89-I93 VanDerWaalsContact O-CG1 3.29Å; C89-I93 WeakPolarHBondContact O-CG1 3.45Å; C89-I93 PolarHBondContact O-N 3.3Å; I93-F95 PolarHBondContact O-N 3.39Å; I93-L96 PolarHBondContact O-N 2.98Å; I93-Q101 HydrophobicContact CG2-CB 4.25Å; I93-Q101 HydrophobicContact CG2-CG 4.12Å; I93-Q101 VanDerWaalsContact O-CG 3.31Å; I93-Q101 WeakPolarHBondContact O-CG 3.16Å; I93-V104 HydrophobicContact CD1-CG1 4.49Å; I93-V104 HydrophobicContact CG1-CG1 4.02Å; I93-A105 HydrophobicContact CD1-CB 4.22Å |
| 94 | P | 93.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 93 Ų | 93 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -60.1 | -18.3 | -179.2 | -25.3 | 34.7 | 0 | 0 | 0 | 115.4 | A90 Q91 | A90-P94 VanDerWaalsContact O-CD 3.26Å; A90-P94 WeakPolarHBondContact O-CD 3.5Å; Q91-P94 WeakPolarHBondContact O-CD 3.33Å |
| 95 | F | 94.2 | Very high | 92.7 | Very high | 178 Ų | 178 | 87.6 Ų | 87.6 | 78% | 0.781 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -87.7 | -6 | 179.8 | -62.1 | -79.5 | 0 | 0 | 0 | 113.6 | Q91 V92 I93 | Q91-F95 VanDerWaalsContact O-CD2 3.24Å; Q91-F95 WeakPolarHBondContact O-CD2 3.33Å; Q91-F95 WeakPolarHBondContact O-CE2 3.1Å; V92-F95 WeakPolarHBondContact O-CB 3.4Å; V92-F95 PolarHBondContact O-N 2.88Å; I93-F95 PolarHBondContact O-N 3.39Å |
| 96 | L | 92.2 | Very high | 92.6 | Very high | 61 Ų | 61 | 89.8 Ų | 89.8 | 32% | 0.319 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -92 | 161.9 | 179.2 | -57.1 | 177.4 | 0 | 0 | 0 | 111.5 | I93 H100 Q101 V104 | I93-L96 PolarHBondContact O-N 2.98Å; L96-H100 HydrophobicContact CB-CB 4.15Å; L96-Q101 HydrophobicContact CB-CG 4.16Å; L96-Q101 PolarHBondContact O-NE2 3.24Å; L96-V104 HydrophobicContact CD1-CB 4.27Å; L96-V104 HydrophobicContact CD1-CG1 4.48Å; L96-V104 HydrophobicContact CD1-CG2 3.82Å |
| 97 | S | 89.8 | Confident | 92.5 | Very high | 64 Ų | 64 | 89.6 Ų | 89.6 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | trans | -65 | 152 | 172 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | E99 H100 Q101 | S97-E99 PolarHBondContact O-N 2.87Å; S97-E99 VanDerWaalsContact O-N 3.12Å; S97-H100 PolarHBondContact O-N 3.4Å; S97-H100 PolarHBondContact OG-ND1 3.43Å; S97-Q101 WeakPolarHBondContact O-CG 3.43Å; S97-Q101 PolarHBondContact O-N 3.39Å | ||
| 98 | Q | 84.9 | Confident | 92.4 | Very high | 146 Ų | 146 | 87.9 Ų | 87.9 | 68% | 0.682 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -49.1 | -40.4 | -177.5 | -84.5 | -84.3 | -19.9 | 0 | 0 | 114 | Q101 | Q98-Q101 PolarHBondContact O-N 2.89Å |
| 99 | E | 89.8 | Confident | 92.3 | Very high | 157 Ų | 157 | 87.9 Ų | 87.9 | 73% | 0.734 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.9 | -46.2 | 176.4 | -173.5 | 179 | -179.4 | 0 | 0 | 112.4 | S97 Q101 Q103 | S97-E99 PolarHBondContact O-N 2.87Å; S97-E99 VanDerWaalsContact O-N 3.12Å; E99-Q101 VanDerWaalsContact C-N 3.34Å; E99-Q101 PolarHBondContact O-N 3.47Å; E99-Q103 PolarHBondContact O-N 3.13Å |
| 100 | H | 89.9 | Confident | 92.3 | Very high | 90 Ų | 90 | 94.7 Ų | 94.7 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.6 | -27.8 | 178.7 | -67.2 | 134.1 | 0 | 0 | 0 | 112.8 | L96 S97 Q102 Q103 V104 | L96-H100 HydrophobicContact CB-CB 4.15Å; S97-H100 PolarHBondContact O-N 3.4Å; S97-H100 PolarHBondContact OG-ND1 3.43Å; H100-Q102 PolarHBondContact O-N 3.12Å; H100-Q103 PolarHBondContact O-N 3.47Å; H100-V104 WeakPolarHBondContact O-CB 3.38Å; H100-V104 VanDerWaalsContact O-CG2 3.28Å; H100-V104 WeakPolarHBondContact O-CG2 3.46Å; H100-V104 PolarHBondContact O-N 3.3Å |
| 101 | Q | 90.8 | Very high | 92.3 | Very high | 47 Ų | 47 | 95.8 Ų | 95.8 | 22% | 0.22 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -58.1 | -50.1 | 176.1 | -75.3 | -177 | 7.6 | 0 | 0 | 111.3 | I93 L96 S97 Q98 E99 A105 | I93-Q101 HydrophobicContact CG2-CB 4.25Å; I93-Q101 HydrophobicContact CG2-CG 4.12Å; I93-Q101 VanDerWaalsContact O-CG 3.31Å; I93-Q101 WeakPolarHBondContact O-CG 3.16Å; L96-Q101 HydrophobicContact CB-CG 4.16Å; L96-Q101 PolarHBondContact O-NE2 3.24Å; S97-Q101 WeakPolarHBondContact O-CG 3.43Å; S97-Q101 PolarHBondContact O-N 3.39Å; Q98-Q101 PolarHBondContact O-N 2.89Å; E99-Q101 VanDerWaalsContact C-N 3.34Å; E99-Q101 PolarHBondContact O-N 3.47Å; Q101-A105 WeakPolarHBondContact O-CB 3.32Å; Q101-A105 PolarHBondContact O-N 2.87Å |
| 102 | Q | 91.1 | Very high | 92.2 | Very high | 145 Ų | 145 | 95.2 Ų | 95.2 | 68% | 0.678 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | -179.6 | -150.9 | 87.9 | 24.6 | 0 | 0 | 111.2 | H100 Q106 | H100-Q102 PolarHBondContact O-N 3.12Å; Q102-Q106 WeakPolarHBondContact O-CB 3.49Å; Q102-Q106 PolarHBondContact O-N 3.29Å |
| 103 | Q | 93.3 | Very high | 92.2 | Very high | 119 Ų | 119 | 97.8 Ų | 97.8 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.2 | -46.3 | -179.4 | -169.9 | -177.9 | 15.5 | 0 | 0 | 112.1 | E99 H100 Q106 A107 | E99-Q103 PolarHBondContact O-N 3.13Å; H100-Q103 PolarHBondContact O-N 3.47Å; Q103-Q106 PolarHBondContact O-N 3.43Å; Q103-A107 WeakPolarHBondContact O-CB 3.32Å; Q103-A107 PolarHBondContact O-N 3.49Å |
| 104 | V | 93.4 | Very high | 92.3 | Very high | 50 Ų | 50 | 100 Ų | 100 | 30% | 0.303 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.2 | -42 | 179.5 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | I93 L96 H100 Q106 A107 V108 | I93-V104 HydrophobicContact CD1-CG1 4.49Å; I93-V104 HydrophobicContact CG1-CG1 4.02Å; L96-V104 HydrophobicContact CD1-CB 4.27Å; L96-V104 HydrophobicContact CD1-CG1 4.48Å; L96-V104 HydrophobicContact CD1-CG2 3.82Å; H100-V104 WeakPolarHBondContact O-CB 3.38Å; H100-V104 VanDerWaalsContact O-CG2 3.28Å; H100-V104 WeakPolarHBondContact O-CG2 3.46Å; H100-V104 PolarHBondContact O-N 3.3Å; V104-Q106 VanDerWaalsContact C-N 3.32Å; V104-Q106 PolarHBondContact O-N 3.38Å; V104-A107 PolarHBondContact O-N 3.23Å; V104-V108 HydrophobicContact CG1-CG2 4.29Å; V104-V108 VanDerWaalsContact O-CG2 3.3Å; V104-V108 WeakPolarHBondContact O-CG2 3.36Å; V104-V108 PolarHBondContact O-N 3.05Å |
| 105 | A | 91.8 | Very high | 92.3 | Very high | 44 Ų | 44 | 99.2 Ų | 99.2 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I93 Q101 E109 | I93-A105 HydrophobicContact CD1-CB 4.22Å; Q101-A105 WeakPolarHBondContact O-CB 3.32Å; Q101-A105 PolarHBondContact O-N 2.87Å; A105-E109 PolarHBondContact O-N 3.29Å; A105-E109 VanDerWaalsContact O-N 3.14Å |
| 106 | Q | 93.4 | Very high | 92.3 | Very high | 147 Ų | 147 | 96.9 Ų | 96.9 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.3 | -40.8 | 177.1 | -169.9 | 179.6 | 24.1 | 0 | 0 | 112.2 | Q102 Q103 V104 E109 R110 | Q102-Q106 WeakPolarHBondContact O-CB 3.49Å; Q102-Q106 PolarHBondContact O-N 3.29Å; Q103-Q106 PolarHBondContact O-N 3.43Å; V104-Q106 VanDerWaalsContact C-N 3.32Å; V104-Q106 PolarHBondContact O-N 3.38Å; Q106-E109 PolarHBondContact O-N 3.01Å; Q106-R110 WeakPolarHBondContact O-CB 3.17Å; Q106-R110 PolarHBondContact O-N 3.49Å |
| 107 | A | 94.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 97.4 Ų | 97.4 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q103 V104 R110 A111 | Q103-A107 WeakPolarHBondContact O-CB 3.32Å; Q103-A107 PolarHBondContact O-N 3.49Å; V104-A107 PolarHBondContact O-N 3.23Å; A107-R110 PolarHBondContact O-N 2.95Å; A107-A111 WeakPolarHBondContact O-CB 3.47Å; A107-A111 PolarHBondContact O-N 3.39Å |
| 108 | V | 94.3 | Very high | 92.6 | Very high | 28 Ų | 28 | 98.9 Ų | 98.9 | 17% | 0.17 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -64 | -42 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 111 | N86 C89 V104 A111 K112 | N86-V108 WeakPolarHBondContact OD1-CG1 3.44Å; C89-V108 HydrophobicContact CB-CG2 4.04Å; V104-V108 HydrophobicContact CG1-CG2 4.29Å; V104-V108 VanDerWaalsContact O-CG2 3.3Å; V104-V108 WeakPolarHBondContact O-CG2 3.36Å; V104-V108 PolarHBondContact O-N 3.05Å; V108-A111 PolarHBondContact O-N 3.5Å; V108-K112 HydrophobicContact CG1-CD 4.37Å; V108-K112 WeakPolarHBondContact O-CG 3.34Å; V108-K112 PolarHBondContact O-N 3.37Å |
| 109 | E | 93.7 | Very high | 93 | Very high | 91 Ų | 91 | 95.1 Ų | 95.1 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -38 | 179.4 | -165.8 | 55.4 | -152.8 | 0 | 0 | 112.2 | A105 Q106 K112 | A105-E109 PolarHBondContact O-N 3.29Å; A105-E109 VanDerWaalsContact O-N 3.14Å; Q106-E109 PolarHBondContact O-N 3.01Å; E109-K112 PolarHBondContact O-N 2.85Å; E109-K112 IonicContact OE1-NZ 3.76Å; E109-K112 IonicContact OE2-NZ 2.83Å; E109-K112 PolarHBondContact OE2-NZ 2.88Å |
| 110 | R | 94.5 | Very high | 93.1 | Very high | 191 Ų | 191 | 92.8 Ų | 92.8 | 72% | 0.721 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 171.2 | -174 | -169.9 | -179.8 | 96.9 | 3.6 | 111.7 | Q106 A107 K112 Q113 | Q106-R110 WeakPolarHBondContact O-CB 3.17Å; Q106-R110 PolarHBondContact O-N 3.49Å; A107-R110 PolarHBondContact O-N 2.95Å; R110-K112 PolarHBondContact O-N 3.43Å; R110-Q113 PolarHBondContact O-N 3.42Å |
| 111 | A | 93.4 | Very high | 93.3 | Very high | 79 Ų | 79 | 91.6 Ų | 91.6 | 65% | 0.653 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.2 | -25.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A107 V108 Q113 | A107-A111 WeakPolarHBondContact O-CB 3.47Å; A107-A111 PolarHBondContact O-N 3.39Å; V108-A111 PolarHBondContact O-N 3.5Å; A111-Q113 VanDerWaalsContact C-N 3.33Å |
| 112 | K | 92.8 | Very high | 93.4 | Very high | 110 Ų | 110 | 94 Ų | 94 | 48% | 0.478 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -17.7 | 174.8 | -70.5 | 162 | 61.7 | -156.7 | 0 | 113.4 | V108 E109 R110 V114 | V108-K112 HydrophobicContact CG1-CD 4.37Å; V108-K112 WeakPolarHBondContact O-CG 3.34Å; V108-K112 PolarHBondContact O-N 3.37Å; E109-K112 PolarHBondContact O-N 2.85Å; E109-K112 IonicContact OE1-NZ 3.76Å; E109-K112 IonicContact OE2-NZ 2.83Å; E109-K112 PolarHBondContact OE2-NZ 2.88Å; R110-K112 PolarHBondContact O-N 3.43Å; K112-V114 PolarHBondContact O-N 3.34Å |
| 113 | Q | 94.2 | Very high | 93.5 | Very high | 127 Ų | 127 | 91.6 Ų | 91.6 | 59% | 0.593 | 50% | 0.499 | S | S | * | . | trans | -92.7 | 98 | -178.7 | -67.2 | 173.6 | 9.6 | 0 | 0 | 109.7 | R110 A111 | R110-Q113 PolarHBondContact O-N 3.42Å; A111-Q113 VanDerWaalsContact C-N 3.33Å | ||
| 114 | V | 93.6 | Very high | 93.3 | Very high | 83 Ų | 83 | 87.2 Ų | 87.2 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | trans | -94.2 | 121 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 109 | K112 E118 L119 | K112-V114 PolarHBondContact O-N 3.34Å; V114-E118 HydrophobicContact CG1-CB 4.33Å; V114-L119 HydrophobicContact CG1-CB 4.17Å | ||
| 115 | T | 94.3 | Very high | 93.2 | Very high | 72 Ų | 72 | 90.4 Ų | 90.4 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | trans | -79 | 157.4 | 176.9 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | A117 E118 L119 | T115-A117 PolarHBondContact O-N 2.95Å; T115-E118 WeakPolarHBondContact CB-OE2 3.49Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.37Å; T115-E118 PolarHBondContact N-OE2 3.28Å; T115-E118 PolarHBondContact O-N 3.1Å; T115-E118 VanDerWaalsContact OG1-CG 3.31Å; T115-E118 WeakPolarHBondContact OG1-CG 3.32Å; T115-E118 PolarHBondContact OG1-N 3.33Å; T115-E118 PolarHBondContact OG1-OE2 2.95Å; T115-L119 WeakPolarHBondContact O-CB 3.25Å; T115-L119 PolarHBondContact O-N 3.44Å | ||
| 116 | M | 93.5 | Very high | 92.9 | Very high | 128 Ų | 128 | 93.7 Ų | 93.7 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.6 | -32.3 | 177.3 | -63.9 | -61.2 | 102.6 | 0 | 0 | 112.6 | L119 N120 | M116-L119 HydrophobicContact CE-CD2 4.23Å; M116-L119 HydrophobicContact SD-CD2 4.43Å; M116-N120 WeakPolarHBondContact O-CB 3.37Å; M116-N120 PolarHBondContact O-N 3.44Å; M116-N120 PolarHBondContact O-ND2 3.26Å |
| 117 | A | 93.4 | Very high | 92.5 | Very high | 73 Ų | 73 | 91.8 Ų | 91.8 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.8 | -45.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T115 N120 A121 | T115-A117 PolarHBondContact O-N 2.95Å; A117-N120 PolarHBondContact O-N 2.93Å; A117-A121 WeakPolarHBondContact O-CB 3.47Å; A117-A121 PolarHBondContact O-N 2.89Å |
| 118 | E | 93.6 | Very high | 91.8 | Very high | 94 Ų | 94 | 94.9 Ų | 94.9 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 176.2 | -68.9 | 160.6 | 146.6 | 0 | 0 | 111.2 | V114 T115 N120 A121 I122 | V114-E118 HydrophobicContact CG1-CB 4.33Å; T115-E118 WeakPolarHBondContact CB-OE2 3.49Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.37Å; T115-E118 PolarHBondContact N-OE2 3.28Å; T115-E118 PolarHBondContact O-N 3.1Å; T115-E118 VanDerWaalsContact OG1-CG 3.31Å; T115-E118 WeakPolarHBondContact OG1-CG 3.32Å; T115-E118 PolarHBondContact OG1-N 3.33Å; T115-E118 PolarHBondContact OG1-OE2 2.95Å; E118-N120 PolarHBondContact O-N 2.89Å; E118-A121 PolarHBondContact O-N 2.85Å; E118-I122 VanDerWaalsContact O-CG1 3.27Å; E118-I122 WeakPolarHBondContact O-CG1 3.29Å; E118-I122 PolarHBondContact O-N 3.45Å |
| 119 | L | 93.8 | Very high | 90.9 | Very high | 68 Ų | 68 | 98.1 Ų | 98.1 | 36% | 0.356 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.5 | -49.2 | 176.3 | -179.7 | 61.6 | 0 | 0 | 0 | 111.3 | V114 T115 M116 A121 I122 I123 | V114-L119 HydrophobicContact CG1-CB 4.17Å; T115-L119 WeakPolarHBondContact O-CB 3.25Å; T115-L119 PolarHBondContact O-N 3.44Å; M116-L119 HydrophobicContact CE-CD2 4.23Å; M116-L119 HydrophobicContact SD-CD2 4.43Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 3.48Å; L119-I122 PolarHBondContact O-N 3.33Å; L119-I123 HydrophobicContact CD1-CD1 3.98Å; L119-I123 HydrophobicContact CD1-CG1 4.34Å; L119-I123 HydrophobicContact CG-CD1 3.91Å; L119-I123 WeakPolarHBondContact O-CG1 3.44Å; L119-I123 PolarHBondContact O-N 3.4Å |
| 120 | N | 92.4 | Very high | 89.8 | Confident | 107 Ų | 107 | 96 Ų | 96 | 57% | 0.572 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -37.3 | 178.4 | -72.5 | -18.4 | 0 | 0 | 0 | 112 | M116 A117 E118 G124 | M116-N120 WeakPolarHBondContact O-CB 3.37Å; M116-N120 PolarHBondContact O-N 3.44Å; M116-N120 PolarHBondContact O-ND2 3.26Å; A117-N120 PolarHBondContact O-N 2.93Å; E118-N120 PolarHBondContact O-N 2.89Å; N120-G124 PolarHBondContact O-N 3.18Å |
| 121 | A | 93.8 | Very high | 88.1 | Confident | 66 Ų | 66 | 92.9 Ų | 92.9 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A117 E118 L119 G124 Q125 | A117-A121 WeakPolarHBondContact O-CB 3.47Å; A117-A121 PolarHBondContact O-N 2.89Å; E118-A121 PolarHBondContact O-N 2.85Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 3.48Å; A121-G124 PolarHBondContact O-N 2.92Å; A121-Q125 WeakPolarHBondContact O-CB 3.34Å; A121-Q125 PolarHBondContact O-N 2.92Å |
| 122 | I | 93.6 | Very high | 86.1 | Confident | 97 Ų | 97 | 96.9 Ų | 96.9 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 178.2 | -66.3 | 163.2 | 0 | 0 | 0 | 110.8 | E118 L119 G124 Q125 Q126 | E118-I122 VanDerWaalsContact O-CG1 3.27Å; E118-I122 WeakPolarHBondContact O-CG1 3.29Å; E118-I122 PolarHBondContact O-N 3.45Å; L119-I122 PolarHBondContact O-N 3.33Å; I122-G124 VanDerWaalsContact C-N 3.33Å; I122-G124 PolarHBondContact O-N 3.29Å; I122-Q125 PolarHBondContact O-N 2.9Å; I122-Q126 WeakPolarHBondContact O-CB 3.45Å; I122-Q126 PolarHBondContact O-N 3.14Å |
| 123 | I | 92.3 | Very high | 84.4 | Confident | 94 Ų | 94 | 99.2 Ų | 99.2 | 48% | 0.482 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 176.7 | -67.4 | 169.3 | 0 | 0 | 0 | 110.3 | L119 Q125 Q126 Q127 | L119-I123 HydrophobicContact CD1-CD1 3.98Å; L119-I123 HydrophobicContact CD1-CG1 4.34Å; L119-I123 HydrophobicContact CG-CD1 3.91Å; L119-I123 WeakPolarHBondContact O-CG1 3.44Å; L119-I123 PolarHBondContact O-N 3.4Å; I123-Q125 PolarHBondContact O-N 3Å; I123-Q126 PolarHBondContact O-N 3.16Å; I123-Q127 WeakPolarHBondContact O-CB 3.39Å; I123-Q127 PolarHBondContact O-N 2.96Å |
| 124 | G | 89.8 | Confident | 82.2 | Confident | 28 Ų | 28 | 96.4 Ų | 96.4 | 29% | 0.289 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N120 A121 I122 Q127 L128 | N120-G124 PolarHBondContact O-N 3.18Å; A121-G124 PolarHBondContact O-N 2.92Å; I122-G124 VanDerWaalsContact C-N 3.33Å; I122-G124 PolarHBondContact O-N 3.29Å; G124-Q127 PolarHBondContact O-N 3.39Å; G124-L128 WeakPolarHBondContact O-CG 3.49Å; G124-L128 PolarHBondContact O-N 3.47Å; G124-L128 VanDerWaalsContact O-N 3.15Å |
| 125 | Q | 90.4 | Very high | 79.6 | Confident | 117 Ų | 117 | 101.9 Ų | 101.9 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 175.3 | -175.4 | -179.5 | 59.3 | 0 | 0 | 111.9 | A121 I122 I123 Q127 L128 Q129 | A121-Q125 WeakPolarHBondContact O-CB 3.34Å; A121-Q125 PolarHBondContact O-N 2.92Å; I122-Q125 PolarHBondContact O-N 2.9Å; I123-Q125 PolarHBondContact O-N 3Å; Q125-Q127 VanDerWaalsContact C-N 3.3Å; Q125-Q127 PolarHBondContact O-N 3.43Å; Q125-L128 PolarHBondContact O-N 2.9Å; Q125-Q129 WeakPolarHBondContact O-CG 3.5Å; Q125-Q129 PolarHBondContact O-N 3.06Å |
| 126 | Q | 87.1 | Confident | 77.5 | Confident | 112 Ų | 112 | 100.4 Ų | 100.4 | 52% | 0.523 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 179.1 | -169.5 | 64.8 | 77 | 0 | 0 | 111.4 | I122 I123 Q129 A130 | I122-Q126 WeakPolarHBondContact O-CB 3.45Å; I122-Q126 PolarHBondContact O-N 3.14Å; I123-Q126 PolarHBondContact O-N 3.16Å; Q126-Q129 PolarHBondContact O-N 3.03Å; Q126-A130 WeakPolarHBondContact O-CB 3.35Å; Q126-A130 PolarHBondContact O-N 2.83Å |
| 127 | Q | 83.6 | Confident | 75 | Confident | 108 Ų | 108 | 103.3 Ų | 103.3 | 51% | 0.505 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.6 | -43.8 | 175.4 | -172.2 | 178.8 | 11.2 | 0 | 0 | 111.7 | I123 G124 Q125 A130 Q131 | I123-Q127 WeakPolarHBondContact O-CB 3.39Å; I123-Q127 PolarHBondContact O-N 2.96Å; G124-Q127 PolarHBondContact O-N 3.39Å; Q125-Q127 VanDerWaalsContact C-N 3.3Å; Q125-Q127 PolarHBondContact O-N 3.43Å; Q127-A130 PolarHBondContact O-N 3.31Å; Q127-Q131 VanDerWaalsContact O-CG 3.28Å; Q127-Q131 WeakPolarHBondContact O-CG 3.12Å; Q127-Q131 PolarHBondContact O-N 3.19Å |
| 128 | L | 79.4 | Confident | 72.5 | Confident | 120 Ų | 120 | 103 Ų | 103 | 63% | 0.628 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.2 | -43.3 | 176.1 | -70.3 | 169.5 | 0 | 0 | 0 | 111.5 | G124 Q125 A130 Q131 H132 | G124-L128 WeakPolarHBondContact O-CG 3.49Å; G124-L128 PolarHBondContact O-N 3.47Å; G124-L128 VanDerWaalsContact O-N 3.15Å; Q125-L128 PolarHBondContact O-N 2.9Å; L128-A130 VanDerWaalsContact C-N 3.35Å; L128-A130 PolarHBondContact O-N 3.32Å; L128-Q131 PolarHBondContact O-N 2.92Å; L128-H132 PolarHBondContact O-CD2 3.01Å; L128-H132 VanDerWaalsContact O-CD2 3.24Å |
| 129 | Q | 76.5 | Confident | 70.3 | Confident | 96 Ų | 96 | 104.1 Ų | 104.1 | 45% | 0.449 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.8 | -37.2 | 176.8 | -69.1 | 175 | 5.6 | 0 | 0 | 112.4 | Q125 Q126 H132 | Q125-Q129 WeakPolarHBondContact O-CG 3.5Å; Q125-Q129 PolarHBondContact O-N 3.06Å; Q126-Q129 PolarHBondContact O-N 3.03Å; Q129-H132 PolarHBondContact O-N 3.16Å |
| 130 | A | 69.3 | Low | 68.1 | Low | 47 Ų | 47 | 105.7 Ų | 105.7 | 39% | 0.388 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.4 | -30.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q126 Q127 L128 H132 L133 S134 | Q126-A130 WeakPolarHBondContact O-CB 3.35Å; Q126-A130 PolarHBondContact O-N 2.83Å; Q127-A130 PolarHBondContact O-N 3.31Å; L128-A130 VanDerWaalsContact C-N 3.35Å; L128-A130 PolarHBondContact O-N 3.32Å; A130-H132 VanDerWaalsContact C-N 3.29Å; A130-H132 PolarHBondContact O-N 3.09Å; A130-L133 PolarHBondContact O-N 3.06Å; A130-L133 VanDerWaalsContact O-N 3.11Å; A130-S134 PolarHBondContact O-N 2.78Å; A130-S134 VanDerWaalsContact O-N 3.17Å |
| 131 | Q | 60 | Low | 66.4 | Low | 124 Ų | 124 | 105.8 Ų | 105.8 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.5 | -32.1 | 174.8 | -74.7 | -124.7 | 17.8 | 0 | 0 | 113 | Q127 L128 L133 | Q127-Q131 VanDerWaalsContact O-CG 3.28Å; Q127-Q131 WeakPolarHBondContact O-CG 3.12Å; Q127-Q131 PolarHBondContact O-N 3.19Å; L128-Q131 PolarHBondContact O-N 2.92Å; Q131-L133 PolarHBondContact O-N 2.67Å |
| 132 | H | 51.1 | Low | 64.1 | Low | 164 Ų | 164 | 107.9 Ų | 107.9 | 76% | 0.759 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -18.9 | 175.4 | -74.4 | -79.5 | 0 | 0 | 0 | 113.2 | L128 Q129 A130 | L128-H132 PolarHBondContact O-CD2 3.01Å; L128-H132 VanDerWaalsContact O-CD2 3.24Å; Q129-H132 PolarHBondContact O-N 3.16Å; A130-H132 VanDerWaalsContact C-N 3.29Å; A130-H132 PolarHBondContact O-N 3.09Å |
| 133 | L | 57.8 | Low | 62.2 | Low | 158 Ų | 158 | 110.9 Ų | 110.9 | 83% | 0.827 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -16.2 | -179.9 | -70.7 | 158.5 | 0 | 0 | 0 | 112.9 | A130 Q131 | A130-L133 PolarHBondContact O-N 3.06Å; A130-L133 VanDerWaalsContact O-N 3.11Å; Q131-L133 PolarHBondContact O-N 2.67Å |
| 134 | S | 46.5 | Very low | 59.9 | Low | 69 Ų | 69 | 112.1 Ų | 112.1 | 48% | 0.483 | 63% | 0.63 | S | S | . | * | trans | -131 | 93 | -175.3 | -169.9 | 0 | 0 | 0 | 0 | 111.8 | A130 G136 | A130-S134 PolarHBondContact O-N 2.78Å; A130-S134 VanDerWaalsContact O-N 3.17Å; S134-G136 PolarHBondContact O-N 2.97Å | ||
| 135 | H | 39.2 | Very low | 57.7 | Low | 198 Ų | 198 | 116.2 Ų | 116.2 | 92% | 0.917 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -75.3 | 30.5 | 168.2 | -99.4 | 68.7 | 0 | 0 | 0 | 113.2 | ||
| 136 | G | 50.1 | Low | 55.3 | Low | 41 Ų | 41 | 119.9 Ų | 119.9 | 42% | 0.423 | 67% | 0.668 | S | S | . | * | S | Bend | trans | 179.1 | 92.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S134 | S134-G136 PolarHBondContact O-N 2.97Š|
| 137 | H | 42.4 | Very low | 53.2 | Low | 189 Ų | 189 | 119.4 Ų | 119.4 | 88% | 0.875 | 68% | 0.675 | S | S | * | * | 171.9 | 132.5 | 126.2 | -89 | -41 | 0 | 0 | 0 | 111.9 | |||||
| 138 | G | 40.1 | Very low | 51.1 | Low | 65 Ų | 65 | 119.9 Ų | 119.9 | 67% | 0.67 | 69% | 0.69 | S | S | * | * | trans | 93.9 | 115.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 139 | P | 48.4 | Very low | 49.4 | Very low | 119 Ų | 119 | 117.4 Ų | 117.4 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | trans | -63.1 | 143.7 | 169.7 | 26.9 | -30.8 | 0 | 0 | 0 | 110 | V141 | P139-V141 PolarHBondContact O-N 3.23Š| ||
| 140 | P | 46.3 | Very low | 47.8 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | trans | -62.3 | 128.5 | 177.3 | 26.2 | -32.4 | 0 | 0 | 0 | 109.1 | P142 | P140-P142 WeakPolarHBondContact O-CD 2.86Š| ||
| 141 | V | 56.6 | Low | 46.3 | Very low | 110 Ų | 110 | 127 Ų | 127 | 67% | 0.667 | 74% | 0.735 | S | S | * | * | trans | -61.5 | 115.8 | 166.5 | 174.9 | 0 | 0 | 0 | 0 | 107.3 | P139 L143 | P139-V141 PolarHBondContact O-N 3.23Å; V141-L143 PolarHBondContact O-N 3.23Å; V141-L143 VanDerWaalsContact O-N 3.09Å | ||
| 142 | P | 45.6 | Very low | 46 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | -75.4 | 103.6 | 176.8 | -7.9 | 25.4 | 0 | 0 | 0 | 108 | P140 T144 | P140-P142 WeakPolarHBondContact O-CD 2.86Å; P142-T144 VanDerWaalsContact C-N 3.3Å; P142-T144 PolarHBondContact O-N 3.34Å; P142-T144 VanDerWaalsContact O-N 3.12Å | ||
| 143 | L | 53.7 | Low | 45.8 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -73.5 | 95.9 | 155.8 | -70.4 | 172.3 | 0 | 0 | 0 | 106.1 | V141 P145 | V141-L143 PolarHBondContact O-N 3.23Å; V141-L143 VanDerWaalsContact O-N 3.09Å; L143-P145 WeakPolarHBondContact O-CD 3.35Å | ||
| 144 | T | 44 | Very low | 44.7 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | -59.7 | 123.1 | 173.7 | 48.2 | 0 | 0 | 0 | 0 | 109.2 | P142 H146 | P142-T144 VanDerWaalsContact C-N 3.3Å; P142-T144 PolarHBondContact O-N 3.34Å; P142-T144 VanDerWaalsContact O-N 3.12Å; T144-H146 PolarHBondContact O-N 3.41Å | ||
| 145 | P | 43.8 | Very low | 44.7 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | trans | -73.5 | 123.8 | 173.2 | 28.8 | -28.8 | 0 | 0 | 0 | 108 | L143 P147 | L143-P145 WeakPolarHBondContact O-CD 3.35Å; P145-P147 WeakPolarHBondContact O-CD 3.41Å | ||
| 146 | H | 39.8 | Very low | 45.1 | Very low | 193 Ų | 193 | 121.1 Ų | 121.1 | 89% | 0.894 | 75% | 0.75 | S | S | * | * | trans | -65.3 | 115.4 | 169.6 | -120.9 | -79.6 | 0 | 0 | 0 | 108.5 | T144 | T144-H146 PolarHBondContact O-N 3.41Š| ||
| 147 | P | 42.8 | Very low | 45.3 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | -92.3 | 126.7 | 170.5 | 24.4 | -7.6 | 0 | 0 | 0 | 109.6 | P145 | P145-P147 WeakPolarHBondContact O-CD 3.41Š| ||
| 148 | S | 40.1 | Very low | 45.1 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 67 | 122.2 | 134.6 | -54.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 149 | G | 43.7 | Very low | 44.9 | Very low | 69 Ų | 69 | 124.3 Ų | 124.3 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -74.6 | -174.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 150 | L | 41.9 | Very low | 44.5 | Very low | 167 Ų | 167 | 122 Ų | 122 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | 104.9 | 102.3 | 168.2 | -61.4 | 174.6 | 0 | 0 | 0 | 117.9 | ||||
| 151 | Q | 38.3 | Very low | 44.4 | Very low | 176 Ų | 176 | 122.9 Ų | 122.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 87 | 136.5 | 136.1 | -91.1 | -167.6 | -80 | 0 | 0 | 122.5 | ||||
| 152 | P | 54.4 | Low | 43.9 | Very low | 110 Ų | 110 | 122 Ų | 122 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | trans | -95.7 | 158.9 | 173.9 | 39.4 | -31.7 | 0 | 0 | 0 | 112.3 | ||||
| 153 | P | 46 | Very low | 43.9 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -130.7 | 149.6 | 146.5 | 18.4 | 2.7 | 0 | 0 | 0 | 113.4 | ||||
| 154 | G | 34.7 | Very low | 43.8 | Very low | 71 Ų | 71 | 121.9 Ų | 121.9 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | -56.4 | 174.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 155 | I | 47.8 | Very low | 44.4 | Very low | 169 Ų | 169 | 125 Ų | 125 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | cis | -160.1 | 175.7 | 43 | -1.1 | 176.6 | 0 | 0 | 0 | 109.2 | ||||
| 156 | P | 46.2 | Very low | 44.4 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -111.7 | -146.4 | -148.6 | 32.2 | -7 | 0 | 0 | 0 | 112.3 | ||||
| 157 | P | 55.5 | Low | 44.6 | Very low | 104 Ų | 104 | 122 Ų | 122 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | -113.7 | 163.8 | -80.6 | 34.8 | -19.6 | 0 | 0 | 0 | 112.5 | |||||
| 158 | L | 38 | Very low | 44.5 | Very low | 173 Ų | 173 | 121.9 Ų | 121.9 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | 177 | 128.7 | 133.7 | -116.8 | 71.4 | 0 | 0 | 0 | 112.3 | ||||
| 159 | G | 35.5 | Very low | 44.7 | Very low | 85 Ų | 85 | 122 Ų | 122 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | 99 | 106.8 | 144.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 160 | G | 40.1 | Very low | 44.4 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 135.9 | 74.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 161 | S | 45.2 | Very low | 44.3 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 46.3 | 108.8 | 145 | 55.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 162 | A | 45.5 | Very low | 44.3 | Very low | 92 Ų | 92 | 121.3 Ų | 121.3 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -51.4 | 137.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 163 | S | 46.2 | Very low | 43.3 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -163.5 | 84.2 | 146.1 | -76.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 164 | L | 51.3 | Low | 42.9 | Very low | 155 Ų | 155 | 121.6 Ų | 121.6 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | 72.4 | 93 | 98 | -70.5 | 176.3 | 0 | 0 | 0 | 112.6 | A166 | L164-A166 PolarHBondContact O-N 3.23Å; L164-A166 VanDerWaalsContact O-N 3.1Å | |||
| 165 | L | 55.2 | Low | 42.6 | Very low | 186 Ų | 186 | 123.2 Ų | 123.2 | 97% | 0.974 | 80% | 0.803 | S | S | * | * | trans | -42.2 | 102.5 | 145.5 | -63.9 | 159.5 | 0 | 0 | 0 | 109.8 | ||||
| 166 | A | 43.6 | Very low | 41.7 | Very low | 81 Ų | 81 | 122.8 Ų | 122.8 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | trans | -155.9 | 103 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L164 | L164-A166 PolarHBondContact O-N 3.23Å; L164-A166 VanDerWaalsContact O-N 3.1Å | ||
| 167 | L | 45.4 | Very low | 41.1 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | 150.1 | 91.6 | 139.8 | -114.4 | 65.5 | 0 | 0 | 0 | 108 | ||||
| 168 | S | 39.2 | Very low | 40 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | 66.2 | 111.1 | 76.8 | -64.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 169 | S | 45.3 | Very low | 40.1 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | 63.1 | 99.4 | 120 | -48.7 | 0 | 0 | 0 | 0 | 120 | |||||
| 170 | A | 38.2 | Very low | 40.2 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -171.9 | 126.6 | 137.3 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 171 | L | 38.8 | Very low | 40 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | cis | -165.3 | 112.9 | 34.9 | 173.4 | 64 | 0 | 0 | 0 | 107.1 | ||||
| 172 | S | 37.8 | Very low | 39.5 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -91.5 | 133.3 | 161.1 | -63.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 173 | G | 33.3 | Very low | 39.1 | Very low | 63 Ų | 63 | 136.7 Ų | 136.7 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | 159.5 | 78.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 174 | Q | 37.7 | Very low | 38.4 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | 70.9 | 108 | 87.4 | -160.4 | -172.6 | -19.5 | 0 | 0 | 111.8 | |||||
| 175 | S | 29.9 | Very low | 37.7 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | 157.1 | 148.1 | 112 | -67.1 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 176 | H | 28.4 | Very low | 36.7 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | cis | -179.8 | 163.1 | -7.8 | -162.2 | -100.9 | 0 | 0 | 0 | 105.6 | ||||
| 177 | L | 33.4 | Very low | 36.1 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | 86.7 | 107.1 | 165 | -53.1 | 168.2 | 0 | 0 | 0 | 117.2 | ||||
| 178 | A | 32.3 | Very low | 35.8 | Very low | 84 Ų | 84 | 140 Ų | 140 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | 88.6 | 105.9 | 60.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 179 | I | 38.9 | Very low | 35.4 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 31.5 | 117.8 | 135.5 | -60 | 171.8 | 0 | 0 | 0 | 117.3 | ||||
| 180 | K | 38.7 | Very low | 35.1 | Very low | 201 Ų | 201 | 149.2 Ų | 149.2 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | -175.5 | 141.9 | 112.4 | -129.3 | 170.2 | 178.7 | -179 | 0 | 114.3 | |||||
| 181 | D | 35.9 | Very low | 35.1 | Very low | 139 Ų | 139 | 152.4 Ų | 152.4 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -61.5 | 144.7 | 165.7 | -163.7 | -92 | 0 | 0 | 0 | 113 | ||||
| 182 | D | 34.9 | Very low | 34.9 | Very low | 134 Ų | 134 | 155.8 Ų | 155.8 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | 167.9 | 114.7 | 128.7 | -121.9 | -79.4 | 0 | 0 | 0 | 112.6 | |||||
| 183 | K | 37.7 | Very low | 35 | Very low | 183 Ų | 183 | 152.6 Ų | 152.6 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | 44.8 | 117.2 | 122.7 | -156.5 | 150.6 | 174.9 | 167.3 | 0 | 122.4 | |||||
| 184 | K | 31.4 | Very low | 35.1 | Very low | 188 Ų | 188 | 158.6 Ų | 158.6 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | 158 | 116.6 | 130.8 | -90.4 | -179.9 | -178.3 | -173.4 | 0 | 107.3 | ||||
| 185 | H | 34.6 | Very low | 35.3 | Very low | 180 Ų | 180 | 161.5 Ų | 161.5 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | -160 | 135.1 | 78.9 | -115.8 | -97.8 | 0 | 0 | 0 | 110.6 | |||||
| 186 | H | 35.7 | Very low | 36 | Very low | 168 Ų | 168 | 162.8 Ų | 162.8 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | trans | -82.7 | 154.8 | 171.6 | -107.3 | 43.6 | 0 | 0 | 0 | 111.3 | ||||
| 187 | D | 31.2 | Very low | 36.3 | Very low | 137 Ų | 137 | 158.8 Ų | 158.8 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | 62.8 | 103.1 | 145.5 | -91.6 | -75 | 0 | 0 | 0 | 119.9 | ||||
| 188 | A | 38.1 | Very low | 36.7 | Very low | 92 Ų | 92 | 161.8 Ų | 161.8 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | -146.7 | 141.9 | 129.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 189 | E | 32.1 | Very low | 37.6 | Very low | 193 Ų | 193 | 163.2 Ų | 163.2 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | 91.2 | 63.8 | 164.1 | -111.2 | 163.3 | 133.2 | 0 | 0 | 118.3 | ||||
| 190 | R | 37.3 | Very low | 37.6 | Very low | 222 Ų | 222 | 166.8 Ų | 166.8 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | trans | -123.8 | 133.5 | 135.7 | -81.9 | -165.3 | 177.1 | -151.8 | 1.5 | 111.6 | ||||
| 191 | H | 38.3 | Very low | 37.5 | Very low | 170 Ų | 170 | 165.1 Ų | 165.1 | 79% | 0.787 | 83% | 0.828 | S | S | * | * | trans | 75.4 | 107.9 | 161.4 | -65.7 | -35.1 | 0 | 0 | 0 | 119.1 | ||||
| 192 | R | 36.1 | Very low | 37.6 | Very low | 238 Ų | 238 | 166.4 Ų | 166.4 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | -163.3 | 106.1 | 105.1 | -114.4 | 177.3 | 174.2 | -123.4 | 0.7 | 112.5 | |||||
| 193 | G | 38.7 | Very low | 37.7 | Very low | 59 Ų | 59 | 168.2 Ų | 168.2 | 61% | 0.608 | 84% | 0.839 | S | S | * | * | trans | -71.8 | 171.2 | 142 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 194 | E | 36.3 | Very low | 37.8 | Very low | 189 Ų | 189 | 167.4 Ų | 167.4 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | trans | 92.8 | 96.6 | 177.4 | -59.6 | -176.5 | 90.2 | 0 | 0 | 116.9 | ||||
| 195 | R | 41.7 | Very low | 38.1 | Very low | 240 Ų | 240 | 166.1 Ų | 166.1 | 91% | 0.906 | 84% | 0.843 | S | S | * | * | trans | -87.8 | 153.9 | 131.4 | -78.1 | -166.6 | -86.1 | -174 | -6.8 | 106.8 | ||||
| 196 | P | 44.1 | Very low | 38.4 | Very low | 133 Ų | 133 | 165.1 Ų | 165.1 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | cis | -145 | 172.5 | 37.7 | 38.1 | -17.2 | 0 | 0 | 0 | 116.3 | ||||
| 197 | G | 34.1 | Very low | 38.6 | Very low | 75 Ų | 75 | 164.9 Ų | 164.9 | 77% | 0.773 | 85% | 0.848 | S | S | * | * | trans | 162.8 | 106.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 198 | K | 42.1 | Very low | 39.1 | Very low | 210 Ų | 210 | 167.1 Ų | 167.1 | 91% | 0.913 | 86% | 0.857 | S | S | * | * | trans | -76.4 | 147.3 | 158 | -78 | -175.8 | 169.6 | -172.4 | 0 | 109.1 | ||||
| 199 | P | 50.8 | Low | 39.2 | Very low | 114 Ų | 114 | 173.3 Ų | 173.3 | 74% | 0.74 | 87% | 0.865 | S | S | * | * | -137.7 | 165.6 | 98.5 | 34.1 | -17.7 | 0 | 0 | 0 | 110.1 | |||||
| 200 | D | 39.1 | Very low | 39.9 | Very low | 237 Ų | 237 | 171.5 Ų | 171.5 | 100% | 1.267 | 86% | 0.862 | S | S | * | * | cis | -131.9 | 0 | 15.7 | -79.7 | -65.4 | 0 | 0 | 0 | 110.1 |
Retrieved 200 of 200 residues in 80 ms
(Link to these results)