| 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 | 53 | Low | 53.1 | Low | 233 Ų | 233 | 148.5 Ų | 148.5 | 100% | 1.148 | 84% | 0.843 | S | S | * | * | 0 | 79.3 | 0 | -77.1 | -165.1 | 170.2 | 0 | 0 | 106.6 | R3 | M1-R3 PolarHBondContact O-N 3.18Š| |||
| 2 | D | 50.4 | Low | 53.4 | Low | 151 Ų | 151 | 146.3 Ų | 146.3 | 81% | 0.807 | 84% | 0.835 | S | S | * | * | trans | -73.1 | 104.6 | 178.8 | -56 | -74.2 | 0 | 0 | 0 | 107.7 | E4 | D2-E4 PolarHBondContact O-N 3.25Š| ||
| 3 | R | 53.4 | Low | 53.5 | Low | 244 Ų | 244 | 151.9 Ų | 151.9 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -82.3 | 95.8 | 171.5 | -92.2 | -175.9 | 166.6 | 151.2 | -2.8 | 107.6 | M1 C5 | M1-R3 PolarHBondContact O-N 3.18Å; R3-C5 PolarHBondContact O-N 3.06Å | ||
| 4 | E | 53.1 | Low | 53.9 | Low | 172 Ų | 172 | 146.9 Ų | 146.9 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -52.9 | 109.1 | 165 | -79 | 147.4 | 94.3 | 0 | 0 | 109.9 | D2 S6 | D2-E4 PolarHBondContact O-N 3.25Å; E4-S6 PolarHBondContact O-N 3.17Å | ||
| 5 | C | 51.1 | Low | 54.6 | Low | 127 Ų | 127 | 140 Ų | 140 | 86% | 0.858 | 79% | 0.791 | S | S | * | * | trans | -79.9 | 91.6 | 169 | -164.3 | 0 | 0 | 0 | 0 | 107.3 | R3 P7 | R3-C5 PolarHBondContact O-N 3.06Å; C5-P7 WeakPolarHBondContact O-CD 3.34Å | ||
| 6 | S | 60.5 | Low | 55.8 | Low | 90 Ų | 90 | 137.5 Ų | 137.5 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | -64.8 | 121.1 | 175.4 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | E4 L8 | E4-S6 PolarHBondContact O-N 3.17Å; S6-L8 PolarHBondContact O-N 3.1Å; S6-L8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | P | 53.9 | Low | 57.3 | Low | 131 Ų | 131 | 131.8 Ų | 131.8 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -82.8 | 89.8 | 174.1 | 31.6 | -29.6 | 0 | 0 | 0 | 109.4 | C5 | C5-P7 WeakPolarHBondContact O-CD 3.34Š| ||
| 8 | L | 46.5 | Very low | 58.8 | Low | 162 Ų | 162 | 134 Ų | 134 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | -81.5 | 128.3 | 168.5 | -73.2 | 166.8 | 0 | 0 | 0 | 109.8 | S6 | S6-L8 PolarHBondContact O-N 3.1Å; S6-L8 VanDerWaalsContact O-N 3.1Å | ||
| 9 | A | 51.9 | Low | 60.4 | Low | 103 Ų | 103 | 130.8 Ų | 130.8 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | trans | 81.6 | 70.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 10 | A | 52.1 | Low | 62.1 | Low | 97 Ų | 97 | 131.3 Ų | 131.3 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | -132.4 | 49.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 11 | T | 58.2 | Low | 63.7 | Low | 123 Ų | 123 | 128.3 Ų | 128.3 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -152.4 | 73.8 | 166.7 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 12 | T | 56.6 | Low | 65.7 | Low | 122 Ų | 122 | 122 Ų | 122 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | trans | -124.1 | 4.3 | 157.9 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | S14 | T12-S14 VanDerWaalsContact C-N 3.31Å; T12-S14 PolarHBondContact O-N 3.2Å | ||
| 13 | R | 55.4 | Low | 67.9 | Low | 220 Ų | 220 | 117.6 Ų | 117.6 | 83% | 0.83 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.9 | -23.6 | 179.6 | -67.2 | 178.8 | 65 | 109.9 | -1 | 114.2 | T16 | R13-T16 PolarHBondContact O-OG1 3.05Å |
| 14 | S | 58.9 | Low | 70 | Confident | 82 Ų | 82 | 108.6 Ų | 108.6 | 57% | 0.573 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.2 | -32.7 | -177.3 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | T12 R18 | T12-S14 VanDerWaalsContact C-N 3.31Å; T12-S14 PolarHBondContact O-N 3.2Å; S14-R18 WeakPolarHBondContact O-CG 3.4Å; S14-R18 PolarHBondContact O-N 3.34Å |
| 15 | G | 63.7 | Low | 72.1 | Confident | 43 Ų | 43 | 107.8 Ų | 107.8 | 44% | 0.443 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.4 | -40.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | S19 | G15-S19 WeakPolarHBondContact O-CB 3.43Å; G15-S19 PolarHBondContact O-N 3.23Å |
| 16 | T | 74.6 | Confident | 74.3 | Confident | 100 Ų | 100 | 108.5 Ų | 108.5 | 61% | 0.613 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.3 | -40.9 | 179 | 59 | 0 | 0 | 0 | 0 | 111.9 | R13 S19 H20 | R13-T16 PolarHBondContact O-OG1 3.05Å; T16-S19 PolarHBondContact O-N 2.89Å; T16-H20 WeakPolarHBondContact O-CB 3.38Å; T16-H20 PolarHBondContact O-N 3.46Å |
| 17 | G | 81.6 | Confident | 76.1 | Confident | 41 Ų | 41 | 110.9 Ų | 110.9 | 42% | 0.423 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.5 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H20 S21 | G17-H20 PolarHBondContact O-N 2.9Å; G17-S21 WeakPolarHBondContact O-CB 3.35Å; G17-S21 PolarHBondContact O-N 3.36Å |
| 18 | R | 83 | Confident | 78.2 | Confident | 171 Ų | 171 | 111.9 Ų | 111.9 | 65% | 0.645 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.4 | -48.2 | 174.7 | -74.4 | 178.1 | 64.7 | -176.1 | -0.2 | 111.4 | S14 H20 S21 E22 | S14-R18 WeakPolarHBondContact O-CG 3.4Å; S14-R18 PolarHBondContact O-N 3.34Å; R18-H20 VanDerWaalsContact C-N 3.32Å; R18-H20 PolarHBondContact O-N 2.93Å; R18-S21 PolarHBondContact O-N 2.7Å; R18-S21 PolarHBondContact O-OG 3.18Å; R18-E22 WeakPolarHBondContact O-CG 3.36Å; R18-E22 PolarHBondContact O-N 3.39Å |
| 19 | S | 90.1 | Very high | 80.7 | Confident | 74 Ų | 74 | 109.4 Ų | 109.4 | 52% | 0.517 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.2 | -43.3 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | G15 T16 E22 A23 | G15-S19 WeakPolarHBondContact O-CB 3.43Å; G15-S19 PolarHBondContact O-N 3.23Å; T16-S19 PolarHBondContact O-N 2.89Å; S19-E22 PolarHBondContact O-N 3.38Å; S19-A23 VanDerWaalsContact O-CB 3.3Å; S19-A23 WeakPolarHBondContact O-CB 3.48Å; S19-A23 PolarHBondContact O-N 2.93Å |
| 20 | H | 93.4 | Very high | 82.9 | Confident | 139 Ų | 139 | 111.1 Ų | 111.1 | 64% | 0.644 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.9 | -44.8 | 175.6 | -176.7 | 71.6 | 0 | 0 | 0 | 112.3 | T16 G17 R18 E22 A23 E24 | T16-H20 WeakPolarHBondContact O-CB 3.38Å; T16-H20 PolarHBondContact O-N 3.46Å; G17-H20 PolarHBondContact O-N 2.9Å; R18-H20 VanDerWaalsContact C-N 3.32Å; R18-H20 PolarHBondContact O-N 2.93Å; H20-E22 VanDerWaalsContact C-N 3.35Å; H20-E22 PolarHBondContact O-N 2.92Å; H20-A23 PolarHBondContact O-N 3.41Å; H20-E24 WeakPolarHBondContact O-CB 3.3Å; H20-E24 PolarHBondContact O-N 2.91Å |
| 21 | S | 95.4 | Very high | 85.1 | Confident | 69 Ų | 69 | 109.8 Ų | 109.8 | 48% | 0.483 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.2 | -39 | 177.7 | 74.9 | 0 | 0 | 0 | 0 | 112.7 | G17 R18 R25 | G17-S21 WeakPolarHBondContact O-CB 3.35Å; G17-S21 PolarHBondContact O-N 3.36Å; R18-S21 PolarHBondContact O-N 2.7Å; R18-S21 PolarHBondContact O-OG 3.18Å; S21-R25 WeakPolarHBondContact O-CB 3.44Å; S21-R25 PolarHBondContact O-N 2.84Å |
| 22 | E | 96.3 | Very high | 86.9 | Confident | 101 Ų | 101 | 107.8 Ų | 107.8 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.1 | -41.6 | 177.4 | -74 | 176.6 | -173.9 | 0 | 0 | 111.5 | R18 S19 H20 R25 K26 | R18-E22 WeakPolarHBondContact O-CG 3.36Å; R18-E22 PolarHBondContact O-N 3.39Å; S19-E22 PolarHBondContact O-N 3.38Å; H20-E22 VanDerWaalsContact C-N 3.35Å; H20-E22 PolarHBondContact O-N 2.92Å; E22-R25 PolarHBondContact O-N 3.21Å; E22-K26 WeakPolarHBondContact O-CB 3.35Å; E22-K26 PolarHBondContact O-N 3.41Å |
| 23 | A | 96.2 | Very high | 88.9 | Confident | 58 Ų | 58 | 104.5 Ų | 104.5 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S19 H20 K26 R27 | S19-A23 VanDerWaalsContact O-CB 3.3Å; S19-A23 WeakPolarHBondContact O-CB 3.48Å; S19-A23 PolarHBondContact O-N 2.93Å; H20-A23 PolarHBondContact O-N 3.41Å; A23-K26 PolarHBondContact O-N 3.31Å; A23-R27 PolarHBondContact O-N 2.99Å |
| 24 | E | 97.4 | Very high | 90.9 | Very high | 55 Ų | 55 | 99.1 Ų | 99.1 | 26% | 0.257 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 177.3 | 176.6 | 55.3 | -164.2 | 0 | 0 | 111.8 | H20 K26 R27 R28 | H20-E24 WeakPolarHBondContact O-CB 3.3Å; H20-E24 PolarHBondContact O-N 2.91Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 2.95Å; E24-R27 WeakPolarHBondContact O-CB 3.44Å; E24-R27 PolarHBondContact O-N 3.31Å; E24-R27 IonicContact OE1-NH1 3.47Å; E24-R27 IonicContact OE2-NH1 3.91Å; E24-R28 WeakPolarHBondContact O-CG 3.46Å; E24-R28 PolarHBondContact O-N 3.37Å; E24-R28 IonicContact OE1-CZ 3.15Å; E24-R28 IonicContact OE1-NE 3.27Å; E24-R28 PolarHBondContact OE1-NE 3.45Å; E24-R28 IonicContact OE1-NH2 2.9Å; E24-R28 PolarHBondContact OE1-NH2 3.44Å |
| 25 | R | 97.5 | Very high | 92.7 | Very high | 156 Ų | 156 | 96 Ų | 96 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -56.8 | -46.7 | 172.2 | -175.9 | 177.7 | 70.4 | 163.8 | -0.9 | 111.2 | S21 E22 R27 R28 Q29 | S21-R25 WeakPolarHBondContact O-CB 3.44Å; S21-R25 PolarHBondContact O-N 2.84Å; E22-R25 PolarHBondContact O-N 3.21Å; R25-R27 PolarHBondContact O-N 3.1Å; R25-R28 PolarHBondContact O-N 2.92Å; R25-Q29 WeakPolarHBondContact O-CG 3.45Å; R25-Q29 PolarHBondContact O-N 3.49Å |
| 26 | K | 97.2 | Very high | 94.2 | Very high | 142 Ų | 142 | 96.5 Ų | 96.5 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.6 | -39.3 | 177.7 | -172.3 | 175.2 | -176.5 | 174.9 | 0 | 112.1 | E22 A23 E24 Q29 R30 | E22-K26 WeakPolarHBondContact O-CB 3.35Å; E22-K26 PolarHBondContact O-N 3.41Å; A23-K26 PolarHBondContact O-N 3.31Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 2.95Å; K26-Q29 PolarHBondContact O-N 2.95Å; K26-R30 WeakPolarHBondContact O-CG 3.46Å; K26-R30 PolarHBondContact O-N 2.91Å; K26-R30 VanDerWaalsContact O-N 3.1Å |
| 27 | R | 98.2 | Very high | 95.3 | Very high | 139 Ų | 139 | 95.5 Ų | 95.5 | 53% | 0.525 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 174 | -178.9 | 175.5 | 173.8 | -84.8 | -3.8 | 111.4 | A23 E24 R25 R30 I31 | A23-R27 PolarHBondContact O-N 2.99Å; E24-R27 WeakPolarHBondContact O-CB 3.44Å; E24-R27 PolarHBondContact O-N 3.31Å; E24-R27 IonicContact OE1-NH1 3.47Å; E24-R27 IonicContact OE2-NH1 3.91Å; R25-R27 PolarHBondContact O-N 3.1Å; R27-R30 PolarHBondContact O-N 3.33Å; R27-I31 HydrophobicContact CG-CD1 4.2Å; R27-I31 WeakPolarHBondContact O-CG1 3.49Å; R27-I31 PolarHBondContact O-N 3.23Å; R27-I31 VanDerWaalsContact O-N 3.11Å |
| 28 | R | 98.1 | Very high | 96 | Very high | 153 Ų | 153 | 95.8 Ų | 95.8 | 58% | 0.577 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.5 | -41.4 | 177.4 | -70.2 | 179.8 | -178.3 | -134.8 | 0.2 | 112.8 | E24 R25 R30 I31 N32 | E24-R28 WeakPolarHBondContact O-CG 3.46Å; E24-R28 PolarHBondContact O-N 3.37Å; E24-R28 IonicContact OE1-CZ 3.15Å; E24-R28 IonicContact OE1-NE 3.27Å; E24-R28 PolarHBondContact OE1-NE 3.45Å; E24-R28 IonicContact OE1-NH2 2.9Å; E24-R28 PolarHBondContact OE1-NH2 3.44Å; R25-R28 PolarHBondContact O-N 2.92Å; R28-R30 PolarHBondContact O-N 3.46Å; R28-I31 PolarHBondContact O-N 2.92Å; R28-N32 WeakPolarHBondContact O-CB 3.43Å; R28-N32 PolarHBondContact O-N 2.84Å |
| 29 | Q | 98.4 | Very high | 96.6 | Very high | 109 Ų | 109 | 90.7 Ų | 90.7 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 175.2 | -74.9 | 171.2 | -7.8 | 0 | 0 | 111.6 | R25 K26 I31 N32 A33 | R25-Q29 WeakPolarHBondContact O-CG 3.45Å; R25-Q29 PolarHBondContact O-N 3.49Å; K26-Q29 PolarHBondContact O-N 2.95Å; Q29-I31 PolarHBondContact O-N 3.3Å; Q29-N32 PolarHBondContact O-N 3.49Å; Q29-A33 WeakPolarHBondContact O-CB 3.5Å; Q29-A33 PolarHBondContact O-N 3.43Å |
| 30 | R | 98.3 | Very high | 96.8 | Very high | 140 Ų | 140 | 92.6 Ų | 92.6 | 53% | 0.528 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.4 | -73.2 | -176.3 | 58.5 | -111 | -8.3 | 112.9 | K26 R27 R28 A33 H34 | K26-R30 WeakPolarHBondContact O-CG 3.46Å; K26-R30 PolarHBondContact O-N 2.91Å; K26-R30 VanDerWaalsContact O-N 3.1Å; R27-R30 PolarHBondContact O-N 3.33Å; R28-R30 PolarHBondContact O-N 3.46Å; R30-A33 PolarHBondContact O-N 3.11Å; R30-H34 PolarHBondContact O-CD2 3.21Å; R30-H34 VanDerWaalsContact O-CD2 3.29Å; R30-H34 PolarHBondContact O-N 3.31Å |
| 31 | I | 98 | Very high | 96.9 | Very high | 68 Ų | 68 | 91.8 Ų | 91.8 | 35% | 0.349 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 177.8 | -67.3 | 167.9 | 0 | 0 | 0 | 110.6 | R27 R28 Q29 A33 H34 L35 | R27-I31 HydrophobicContact CG-CD1 4.2Å; R27-I31 WeakPolarHBondContact O-CG1 3.49Å; R27-I31 PolarHBondContact O-N 3.23Å; R27-I31 VanDerWaalsContact O-N 3.11Å; R28-I31 PolarHBondContact O-N 2.92Å; Q29-I31 PolarHBondContact O-N 3.3Å; I31-A33 VanDerWaalsContact C-N 3.29Å; I31-A33 PolarHBondContact O-N 3.02Å; I31-H34 PolarHBondContact O-N 3.37Å; I31-L35 HydrophobicContact CG2-CD1 4.15Å; I31-L35 HydrophobicContact CG2-CG 4.47Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 3.4Å |
| 32 | N | 97.2 | Very high | 96.8 | Very high | 81 Ų | 81 | 89.3 Ų | 89.3 | 43% | 0.433 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 178.2 | -72.7 | -21 | 0 | 0 | 0 | 112.1 | R28 Q29 L35 A36 K50 | R28-N32 WeakPolarHBondContact O-CB 3.43Å; R28-N32 PolarHBondContact O-N 2.84Å; Q29-N32 PolarHBondContact O-N 3.49Å; N32-L35 PolarHBondContact O-N 3.05Å; N32-A36 PolarHBondContact O-N 3.44Å; N32-K50 PolarHBondContact OD1-NZ 3.29Å |
| 33 | A | 97.9 | Very high | 96.4 | Very high | 53 Ų | 53 | 88.3 Ų | 88.3 | 44% | 0.438 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q29 R30 I31 L35 A36 T37 | Q29-A33 WeakPolarHBondContact O-CB 3.5Å; Q29-A33 PolarHBondContact O-N 3.43Å; R30-A33 PolarHBondContact O-N 3.11Å; I31-A33 VanDerWaalsContact C-N 3.29Å; I31-A33 PolarHBondContact O-N 3.02Å; A33-L35 VanDerWaalsContact C-N 3.35Å; A33-L35 PolarHBondContact O-N 3.33Å; A33-A36 WeakPolarHBondContact O-CB 3.48Å; A33-A36 PolarHBondContact O-N 3.4Å; A33-A36 VanDerWaalsContact O-N 3.12Å; A33-T37 PolarHBondContact O-N 3.12Å; A33-T37 PolarHBondContact O-OG1 2.95Å |
| 34 | H | 97.5 | Very high | 95.8 | Very high | 108 Ų | 108 | 90 Ų | 90 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 175 | -66.1 | -174.7 | 0 | 0 | 0 | 112 | R30 I31 A36 T37 L38 | R30-H34 PolarHBondContact O-CD2 3.21Å; R30-H34 VanDerWaalsContact O-CD2 3.29Å; R30-H34 PolarHBondContact O-N 3.31Å; I31-H34 PolarHBondContact O-N 3.37Å; H34-A36 VanDerWaalsContact C-N 3.25Å; H34-A36 PolarHBondContact O-N 3.4Å; H34-T37 PolarHBondContact O-N 2.83Å; H34-L38 WeakPolarHBondContact O-CG 3.3Å; H34-L38 PolarHBondContact O-N 3.23Å |
| 35 | L | 97 | Very high | 95.3 | Very high | 17 Ų | 17 | 87.4 Ų | 87.4 | 9% | 0.089 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63.9 | -30.9 | 175.6 | -66.9 | 171.7 | 0 | 0 | 0 | 112.3 | I31 N32 A33 R39 K50 L53 L54 | I31-L35 HydrophobicContact CG2-CD1 4.15Å; I31-L35 HydrophobicContact CG2-CG 4.47Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 3.4Å; N32-L35 PolarHBondContact O-N 3.05Å; A33-L35 VanDerWaalsContact C-N 3.35Å; A33-L35 PolarHBondContact O-N 3.33Å; L35-R39 WeakPolarHBondContact O-CG 3.4Å; L35-R39 PolarHBondContact O-N 3.2Å; L35-R39 PolarHBondContact O-NH1 2.99Å; L35-K50 HydrophobicContact CD1-CD 3.78Å; L35-K50 HydrophobicContact CD1-CG 4.04Å; L35-L53 HydrophobicContact CB-CD2 4.34Å; L35-L53 HydrophobicContact CD2-CD2 4.01Å; L35-L54 HydrophobicContact CD2-CD2 4.39Å |
| 36 | A | 95.7 | Very high | 94.8 | Very high | 52 Ų | 52 | 84.3 Ų | 84.3 | 43% | 0.43 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.4 | -44.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | N32 A33 H34 L38 R39 T40 | N32-A36 PolarHBondContact O-N 3.44Å; A33-A36 WeakPolarHBondContact O-CB 3.48Å; A33-A36 PolarHBondContact O-N 3.4Å; A33-A36 VanDerWaalsContact O-N 3.12Å; H34-A36 VanDerWaalsContact C-N 3.25Å; H34-A36 PolarHBondContact O-N 3.4Å; A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 2.95Å; A36-R39 WeakPolarHBondContact O-CB 3.37Å; A36-R39 PolarHBondContact O-N 3.35Å; A36-R39 VanDerWaalsContact O-N 3.15Å; A36-T40 PolarHBondContact O-N 3.24Å |
| 37 | T | 96.3 | Very high | 94.4 | Very high | 79 Ų | 79 | 88.9 Ų | 88.9 | 49% | 0.485 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 174.9 | -54 | 0 | 0 | 0 | 0 | 112.4 | A33 H34 R39 T40 L41 | A33-T37 PolarHBondContact O-N 3.12Å; A33-T37 PolarHBondContact O-OG1 2.95Å; H34-T37 PolarHBondContact O-N 2.83Å; T37-R39 VanDerWaalsContact C-N 3.26Å; T37-R39 PolarHBondContact O-N 3.5Å; T37-T40 PolarHBondContact O-N 3.3Å; T37-T40 VanDerWaalsContact O-N 3.13Å; T37-T40 PolarHBondContact O-OG1 2.9Å; T37-L41 WeakPolarHBondContact O-CG 3.44Å; T37-L41 PolarHBondContact O-N 3.42Å |
| 38 | L | 97.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 84.8 Ų | 84.8 | 25% | 0.251 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.6 | -36.2 | 176.5 | -69.7 | 173 | 0 | 0 | 0 | 112.2 | H34 A36 T40 L41 L42 L53 L54 V57 | H34-L38 WeakPolarHBondContact O-CG 3.3Å; H34-L38 PolarHBondContact O-N 3.23Å; A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 2.95Å; L38-T40 VanDerWaalsContact C-N 3.28Å; L38-T40 PolarHBondContact O-N 2.92Å; L38-L41 PolarHBondContact O-N 3.41Å; L38-L42 PolarHBondContact O-N 3.16Å; L38-L53 HydrophobicContact CB-CD1 4.38Å; L38-L53 HydrophobicContact CB-CD2 4.27Å; L38-L54 HydrophobicContact CD1-CD2 4.33Å; L38-V57 HydrophobicContact CB-CG2 4.14Å; L38-V57 HydrophobicContact CD1-CG2 4.24Å; L38-V57 HydrophobicContact CD2-CG1 4.3Å; L38-V57 HydrophobicContact CD2-CG2 4.01Å; L38-V57 HydrophobicContact CG-CG2 4.35Å |
| 39 | R | 95.4 | Very high | 94.1 | Very high | 64 Ų | 64 | 82.1 Ų | 82.1 | 24% | 0.242 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.1 | -27.2 | 176.2 | -72.9 | -174.7 | 178.7 | 87.9 | -2.1 | 113.5 | L35 A36 T37 L41 A45 M48 L53 | L35-R39 WeakPolarHBondContact O-CG 3.4Å; L35-R39 PolarHBondContact O-N 3.2Å; L35-R39 PolarHBondContact O-NH1 2.99Å; A36-R39 WeakPolarHBondContact O-CB 3.37Å; A36-R39 PolarHBondContact O-N 3.35Å; A36-R39 VanDerWaalsContact O-N 3.15Å; T37-R39 VanDerWaalsContact C-N 3.26Å; T37-R39 PolarHBondContact O-N 3.5Å; R39-L41 VanDerWaalsContact C-N 3.32Å; R39-A45 HydrophobicContact CB-CB 4.48Å; R39-A45 WeakPolarHBondContact CD-O 3.45Å; R39-A45 HydrophobicContact CG-CB 4.37Å; R39-A45 WeakPolarHBondContact CG-O 3.24Å; R39-M48 PolarHBondContact NE-O 3.28Å; R39-M48 PolarHBondContact NH2-O 3.03Å; R39-L53 HydrophobicContact CG-CD1 3.8Å; R39-L53 HydrophobicContact CG-CD2 3.81Å; R39-L53 HydrophobicContact CG-CG 4.46Å |
| 40 | T | 95 | Very high | 94 | Very high | 114 Ų | 114 | 82.2 Ų | 82.2 | 70% | 0.699 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -79.4 | -18.1 | 177.7 | 62.5 | 0 | 0 | 0 | 0 | 112.8 | A36 T37 L38 | A36-T40 PolarHBondContact O-N 3.24Å; T37-T40 PolarHBondContact O-N 3.3Å; T37-T40 VanDerWaalsContact O-N 3.13Å; T37-T40 PolarHBondContact O-OG1 2.9Å; L38-T40 VanDerWaalsContact C-N 3.28Å; L38-T40 PolarHBondContact O-N 2.92Å |
| 41 | L | 94.8 | Very high | 93.9 | Very high | 121 Ų | 121 | 79 Ų | 79 | 63% | 0.634 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -91.3 | -19.7 | -179.3 | -64.8 | 174.6 | 0 | 0 | 0 | 113.3 | T37 L38 R39 | T37-L41 WeakPolarHBondContact O-CG 3.44Å; T37-L41 PolarHBondContact O-N 3.42Å; L38-L41 PolarHBondContact O-N 3.41Å; R39-L41 VanDerWaalsContact C-N 3.32Å |
| 42 | L | 93.5 | Very high | 93.8 | Very high | 17 Ų | 17 | 77.7 Ų | 77.7 | 9% | 0.089 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -105.2 | 139.4 | -175.4 | -69.2 | 178.1 | 0 | 0 | 0 | 112.2 | L38 A44 A45 L53 E56 V57 H60 | L38-L42 PolarHBondContact O-N 3.16Å; L42-A44 PolarHBondContact O-N 3.02Å; L42-A45 HydrophobicContact CB-CB 3.58Å; L42-A45 HydrophobicContact CD1-CB 4.24Å; L42-L53 HydrophobicContact CD1-CD1 3.88Å; L42-E56 HydrophobicContact CD1-CB 4.1Å; L42-E56 HydrophobicContact CD1-CG 3.8Å; L42-V57 HydrophobicContact CD1-CB 4.23Å; L42-V57 HydrophobicContact CD1-CG2 3.37Å; L42-V57 HydrophobicContact CG-CG2 4.24Å; L42-H60 HydrophobicContact CD2-CB 3.55Å; L42-H60 WeakPolarHBondContact CD2-CD2 3.16Å |
| 43 | P | 87.2 | Confident | 93.8 | Very high | 81 Ų | 81 | 73.8 Ų | 73.8 | 53% | 0.526 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 135.6 | 172.5 | 26.8 | -33 | 0 | 0 | 0 | 110.2 | A45 | P43-A45 PolarHBondContact O-N 2.94Š|
| 44 | A | 83.7 | Confident | 93.8 | Very high | 93 Ų | 93 | 75.7 Ų | 75.7 | 77% | 0.769 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 17.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | L42 S46 | L42-A44 PolarHBondContact O-N 3.02Å; A44-S46 VanDerWaalsContact C-N 3.31Å; A44-S46 PolarHBondContact O-N 3.19Å |
| 45 | A | 87.4 | Confident | 93.7 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.008 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -80.9 | -2.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R39 L42 P43 R47 M48 L53 | R39-A45 HydrophobicContact CB-CB 4.48Å; R39-A45 WeakPolarHBondContact CD-O 3.45Å; R39-A45 HydrophobicContact CG-CB 4.37Å; R39-A45 WeakPolarHBondContact CG-O 3.24Å; L42-A45 HydrophobicContact CB-CB 3.58Å; L42-A45 HydrophobicContact CD1-CB 4.24Å; P43-A45 PolarHBondContact O-N 2.94Å; A45-R47 PolarHBondContact O-N 2.83Å; A45-R47 VanDerWaalsContact O-N 3.15Å; A45-M48 HydrophobicContact CB-SD 3.89Å; A45-M48 PolarHBondContact O-N 3.44Å; A45-M48 VanDerWaalsContact O-N 3.16Å; A45-L53 HydrophobicContact CB-CD1 3.94Å |
| 46 | S | 87.2 | Confident | 93.7 | Very high | 91 Ų | 91 | 73.7 Ų | 73.7 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -57.9 | -32.6 | -173.8 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | A44 | A44-S46 VanDerWaalsContact C-N 3.31Å; A44-S46 PolarHBondContact O-N 3.19Å |
| 47 | R | 88.9 | Confident | 93.7 | Very high | 238 Ų | 238 | 72.5 Ų | 72.5 | 90% | 0.898 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -103.3 | 1.1 | -178 | -60.7 | -177.2 | -176.1 | 176.4 | 1.5 | 114.3 | A45 | A45-R47 PolarHBondContact O-N 2.83Å; A45-R47 VanDerWaalsContact O-N 3.15Å |
| 48 | M | 95.1 | Very high | 93.8 | Very high | 52 Ų | 52 | 72.2 Ų | 72.2 | 26% | 0.256 | 41% | 0.413 | S | S | . | . | trans | -69 | 137.2 | 179.6 | -70 | -180 | 167.7 | 0 | 0 | 111 | R39 A45 A52 L53 E56 | R39-M48 PolarHBondContact NE-O 3.28Å; R39-M48 PolarHBondContact NH2-O 3.03Å; A45-M48 HydrophobicContact CB-SD 3.89Å; A45-M48 PolarHBondContact O-N 3.44Å; A45-M48 VanDerWaalsContact O-N 3.16Å; M48-A52 HydrophobicContact CB-CB 4.28Å; M48-L53 HydrophobicContact CB-CB 4.2Å; M48-E56 HydrophobicContact CE-CB 4.09Å; M48-E56 HydrophobicContact CE-CG 3.86Å; M48-E56 HydrophobicContact SD-CB 3.87Å; M48-E56 HydrophobicContact SD-CG 4.04Å | ||
| 49 | D | 95.5 | Very high | 93.7 | Very high | 98 Ų | 98 | 75 Ų | 75 | 52% | 0.524 | 42% | 0.42 | S | S | . | . | trans | -64.9 | 171.2 | 165.7 | 73 | 83.1 | 0 | 0 | 0 | 110.6 | A51 A52 L53 | D49-A51 VanDerWaalsContact C-N 3.35Å; D49-A51 PolarHBondContact O-N 3.29Å; D49-A51 WeakPolarHBondContact OD1-CA 3.46Å; D49-A51 WeakPolarHBondContact OD1-CB 3.43Å; D49-A51 PolarHBondContact OD1-N 3.15Å; D49-A52 PolarHBondContact OD1-N 3.22Å; D49-A52 WeakPolarHBondContact OD2-CB 3.5Å; D49-L53 VanDerWaalsContact O-CB 3.24Å; D49-L53 WeakPolarHBondContact O-CB 3.41Å; D49-L53 PolarHBondContact O-N 3.28Å | ||
| 50 | K | 95.5 | Very high | 93.7 | Very high | 111 Ų | 111 | 73.9 Ų | 73.9 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.7 | -35.6 | -173 | -65.3 | -175.3 | 175.4 | -175.5 | 0 | 113 | N32 L35 L54 | N32-K50 PolarHBondContact OD1-NZ 3.29Å; L35-K50 HydrophobicContact CD1-CD 3.78Å; L35-K50 HydrophobicContact CD1-CG 4.04Å; K50-L54 VanDerWaalsContact O-CG 3.3Å; K50-L54 WeakPolarHBondContact O-CG 3.3Å; K50-L54 PolarHBondContact O-N 3.13Å |
| 51 | A | 96.1 | Very high | 93.7 | Very high | 71 Ų | 71 | 71.5 Ų | 71.5 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -75.6 | -46.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | D49 L53 L54 G55 | D49-A51 VanDerWaalsContact C-N 3.35Å; D49-A51 PolarHBondContact O-N 3.29Å; D49-A51 WeakPolarHBondContact OD1-CA 3.46Å; D49-A51 WeakPolarHBondContact OD1-CB 3.43Å; D49-A51 PolarHBondContact OD1-N 3.15Å; A51-L53 VanDerWaalsContact C-N 3.32Å; A51-L53 PolarHBondContact O-N 3.43Å; A51-L54 PolarHBondContact O-N 3.33Å; A51-G55 PolarHBondContact O-N 3.49Å |
| 52 | A | 95.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 74.3 Ų | 74.3 | 34% | 0.339 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M48 D49 L54 G55 E56 | M48-A52 HydrophobicContact CB-CB 4.28Å; D49-A52 PolarHBondContact OD1-N 3.22Å; D49-A52 WeakPolarHBondContact OD2-CB 3.5Å; A52-L54 PolarHBondContact O-N 2.93Å; A52-G55 PolarHBondContact O-N 3.15Å; A52-E56 WeakPolarHBondContact O-CB 3.42Å; A52-E56 PolarHBondContact O-N 3.43Å |
| 53 | L | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -56.8 | -48.6 | 176.2 | 176.1 | 64.8 | 0 | 0 | 0 | 111.9 | L35 L38 R39 L42 A45 M48 D49 A51 G55 E56 V57 | L35-L53 HydrophobicContact CB-CD2 4.34Å; L35-L53 HydrophobicContact CD2-CD2 4.01Å; L38-L53 HydrophobicContact CB-CD1 4.38Å; L38-L53 HydrophobicContact CB-CD2 4.27Å; R39-L53 HydrophobicContact CG-CD1 3.8Å; R39-L53 HydrophobicContact CG-CD2 3.81Å; R39-L53 HydrophobicContact CG-CG 4.46Å; L42-L53 HydrophobicContact CD1-CD1 3.88Å; A45-L53 HydrophobicContact CB-CD1 3.94Å; M48-L53 HydrophobicContact CB-CB 4.2Å; D49-L53 VanDerWaalsContact O-CB 3.24Å; D49-L53 WeakPolarHBondContact O-CB 3.41Å; D49-L53 PolarHBondContact O-N 3.28Å; A51-L53 VanDerWaalsContact C-N 3.32Å; A51-L53 PolarHBondContact O-N 3.43Å; L53-G55 VanDerWaalsContact C-N 3.34Å; L53-G55 PolarHBondContact O-N 3.4Å; L53-E56 PolarHBondContact O-N 2.95Å; L53-V57 HydrophobicContact CD1-CG2 4.39Å; L53-V57 VanDerWaalsContact O-CG2 3.3Å; L53-V57 WeakPolarHBondContact O-CG2 3.41Å; L53-V57 PolarHBondContact O-N 3.4Å |
| 54 | L | 97.8 | Very high | 94.1 | Very high | 93 Ų | 93 | 77.3 Ų | 77.3 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.2 | -38.3 | -178.9 | -67.4 | 174.3 | 0 | 0 | 0 | 111.8 | L35 L38 K50 A51 A52 V57 V58 | L35-L54 HydrophobicContact CD2-CD2 4.39Å; L38-L54 HydrophobicContact CD1-CD2 4.33Å; K50-L54 VanDerWaalsContact O-CG 3.3Å; K50-L54 WeakPolarHBondContact O-CG 3.3Å; K50-L54 PolarHBondContact O-N 3.13Å; A51-L54 PolarHBondContact O-N 3.33Å; A52-L54 PolarHBondContact O-N 2.93Å; L54-V57 PolarHBondContact O-N 3.31Å; L54-V58 WeakPolarHBondContact O-CG2 3.27Å; L54-V58 PolarHBondContact O-N 3.16Å; L54-V58 VanDerWaalsContact O-N 3.16Å |
| 55 | G | 96 | Very high | 94.3 | Very high | 45 Ų | 45 | 78.5 Ų | 78.5 | 46% | 0.464 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | A51 A52 L53 V58 R59 | A51-G55 PolarHBondContact O-N 3.49Å; A52-G55 PolarHBondContact O-N 3.15Å; L53-G55 VanDerWaalsContact C-N 3.34Å; L53-G55 PolarHBondContact O-N 3.4Å; G55-V58 PolarHBondContact O-N 3.4Å; G55-R59 PolarHBondContact O-N 3.33Å |
| 56 | E | 95.9 | Very high | 94.3 | Very high | 37 Ų | 37 | 80.2 Ų | 80.2 | 17% | 0.173 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 178.6 | -175.1 | 64.5 | -173.2 | 0 | 0 | 112.3 | L42 M48 A52 L53 V58 R59 H60 | L42-E56 HydrophobicContact CD1-CB 4.1Å; L42-E56 HydrophobicContact CD1-CG 3.8Å; M48-E56 HydrophobicContact CE-CB 4.09Å; M48-E56 HydrophobicContact CE-CG 3.86Å; M48-E56 HydrophobicContact SD-CB 3.87Å; M48-E56 HydrophobicContact SD-CG 4.04Å; A52-E56 WeakPolarHBondContact O-CB 3.42Å; A52-E56 PolarHBondContact O-N 3.43Å; L53-E56 PolarHBondContact O-N 2.95Å; E56-V58 VanDerWaalsContact C-N 3.32Å; E56-V58 PolarHBondContact O-N 3.3Å; E56-R59 PolarHBondContact O-N 3.46Å; E56-R59 IonicContact OE1-CZ 2.84Å; E56-R59 IonicContact OE1-NE 3.37Å; E56-R59 PolarHBondContact OE1-NE 2.89Å; E56-R59 IonicContact OE1-NH2 3.48Å; E56-R59 PolarHBondContact OE1-NH2 3.09Å; E56-R59 IonicContact OE2-CZ 3.59Å; E56-R59 IonicContact OE2-NE 3.8Å; E56-R59 PolarHBondContact OE2-NE 3.26Å; E56-R59 IonicContact OE2-NH2 2.74Å; E56-H60 WeakPolarHBondContact O-CB 3.35Å; E56-H60 PolarHBondContact O-N 3.46Å |
| 57 | V | 97.2 | Very high | 94.5 | Very high | 28 Ų | 28 | 81.2 Ų | 81.2 | 17% | 0.17 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.1 | -47.3 | 174.3 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | L38 L42 L53 L54 H60 V61 | L38-V57 HydrophobicContact CB-CG2 4.14Å; L38-V57 HydrophobicContact CD1-CG2 4.24Å; L38-V57 HydrophobicContact CD2-CG1 4.3Å; L38-V57 HydrophobicContact CD2-CG2 4.01Å; L38-V57 HydrophobicContact CG-CG2 4.35Å; L42-V57 HydrophobicContact CD1-CB 4.23Å; L42-V57 HydrophobicContact CD1-CG2 3.37Å; L42-V57 HydrophobicContact CG-CG2 4.24Å; L53-V57 HydrophobicContact CD1-CG2 4.39Å; L53-V57 VanDerWaalsContact O-CG2 3.3Å; L53-V57 WeakPolarHBondContact O-CG2 3.41Å; L53-V57 PolarHBondContact O-N 3.4Å; L54-V57 PolarHBondContact O-N 3.31Å; V57-H60 PolarHBondContact O-N 2.99Å; V57-V61 HydrophobicContact CG1-CG2 4.4Å; V57-V61 WeakPolarHBondContact O-CB 3.3Å; V57-V61 VanDerWaalsContact O-CG2 3.27Å; V57-V61 WeakPolarHBondContact O-CG2 3.35Å; V57-V61 PolarHBondContact O-N 2.79Å |
| 58 | V | 96.6 | Very high | 94.3 | Very high | 72 Ų | 72 | 72.2 Ų | 72.2 | 44% | 0.436 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 179.6 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L54 G55 E56 R62 | L54-V58 WeakPolarHBondContact O-CG2 3.27Å; L54-V58 PolarHBondContact O-N 3.16Å; L54-V58 VanDerWaalsContact O-N 3.16Å; G55-V58 PolarHBondContact O-N 3.4Å; E56-V58 VanDerWaalsContact C-N 3.32Å; E56-V58 PolarHBondContact O-N 3.3Å; V58-R62 VanDerWaalsContact O-CG 3.3Å; V58-R62 WeakPolarHBondContact O-CG 3.48Å; V58-R62 PolarHBondContact O-N 2.83Å; V58-R62 VanDerWaalsContact O-N 3.15Å |
| 59 | R | 95.7 | Very high | 93.6 | Very high | 108 Ų | 108 | 75.3 Ų | 75.3 | 41% | 0.408 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.2 | -51.3 | 176.4 | -171 | -162.3 | 69.2 | 67.6 | 3.8 | 110.8 | G55 E56 R62 E63 | G55-R59 PolarHBondContact O-N 3.33Å; E56-R59 PolarHBondContact O-N 3.46Å; E56-R59 IonicContact OE1-CZ 2.84Å; E56-R59 IonicContact OE1-NE 3.37Å; E56-R59 PolarHBondContact OE1-NE 2.89Å; E56-R59 IonicContact OE1-NH2 3.48Å; E56-R59 PolarHBondContact OE1-NH2 3.09Å; E56-R59 IonicContact OE2-CZ 3.59Å; E56-R59 IonicContact OE2-NE 3.8Å; E56-R59 PolarHBondContact OE2-NE 3.26Å; E56-R59 IonicContact OE2-NH2 2.74Å; R59-R62 WeakPolarHBondContact O-CB 3.45Å; R59-R62 PolarHBondContact O-N 2.74Å; R59-E63 IonicContact CZ-OE2 3.44Å; R59-E63 IonicContact NH1-OE1 3.61Å; R59-E63 IonicContact NH1-OE2 3.01Å; R59-E63 PolarHBondContact NH1-OE2 3.42Å; R59-E63 IonicContact NH2-OE2 2.83Å; R59-E63 PolarHBondContact NH2-OE2 3.42Å; R59-E63 PolarHBondContact O-N 2.98Å |
| 60 | H | 95.7 | Very high | 93.1 | Very high | 39 Ų | 39 | 73.8 Ų | 73.8 | 18% | 0.181 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.4 | -38.1 | -176.1 | -168.4 | 55.3 | 0 | 0 | 0 | 112.6 | L42 E56 V57 R62 E63 L64 | L42-H60 HydrophobicContact CD2-CB 3.55Å; L42-H60 WeakPolarHBondContact CD2-CD2 3.16Å; E56-H60 WeakPolarHBondContact O-CB 3.35Å; E56-H60 PolarHBondContact O-N 3.46Å; V57-H60 PolarHBondContact O-N 2.99Å; H60-R62 VanDerWaalsContact C-N 3.31Å; H60-R62 PolarHBondContact O-N 3.42Å; H60-E63 IonicContact ND1-OE2 2.73Å; H60-E63 PolarHBondContact ND1-OE2 2.95Å; H60-E63 WeakPolarHBondContact O-CB 3.47Å; H60-E63 PolarHBondContact O-N 3.19Å; H60-L64 WeakPolarHBondContact O-CB 3.47Å; H60-L64 WeakPolarHBondContact O-CG 3.25Å; H60-L64 PolarHBondContact O-N 2.96Å |
| 61 | V | 95 | Very high | 92.4 | Very high | 65 Ų | 65 | 71.6 Ų | 71.6 | 39% | 0.394 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 173.2 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | V57 R65 | V57-V61 HydrophobicContact CG1-CG2 4.4Å; V57-V61 WeakPolarHBondContact O-CB 3.3Å; V57-V61 VanDerWaalsContact O-CG2 3.27Å; V57-V61 WeakPolarHBondContact O-CG2 3.35Å; V57-V61 PolarHBondContact O-N 2.79Å; V61-R65 WeakPolarHBondContact O-CB 3.34Å; V61-R65 VanDerWaalsContact O-CG 3.24Å; V61-R65 WeakPolarHBondContact O-CG 3.24Å; V61-R65 PolarHBondContact O-N 3.25Å |
| 62 | R | 94.8 | Very high | 91.4 | Very high | 180 Ų | 180 | 69.6 Ų | 69.6 | 68% | 0.679 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.7 | -40.4 | 176.2 | -72.1 | 173.3 | 178.3 | -173.9 | -0.2 | 112.2 | V58 R59 H60 R65 G66 | V58-R62 VanDerWaalsContact O-CG 3.3Å; V58-R62 WeakPolarHBondContact O-CG 3.48Å; V58-R62 PolarHBondContact O-N 2.83Å; V58-R62 VanDerWaalsContact O-N 3.15Å; R59-R62 WeakPolarHBondContact O-CB 3.45Å; R59-R62 PolarHBondContact O-N 2.74Å; H60-R62 VanDerWaalsContact C-N 3.31Å; H60-R62 PolarHBondContact O-N 3.42Å; R62-R65 PolarHBondContact O-N 3.44Å; R62-G66 PolarHBondContact O-N 2.92Å |
| 63 | E | 94.9 | Very high | 90.3 | Very high | 79 Ų | 79 | 72 Ų | 72 | 37% | 0.369 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.3 | -54.7 | 174.6 | 177.1 | 177.1 | -146 | 0 | 0 | 111 | R59 H60 R65 G66 E67 | R59-E63 IonicContact CZ-OE2 3.44Å; R59-E63 IonicContact NH1-OE1 3.61Å; R59-E63 IonicContact NH1-OE2 3.01Å; R59-E63 PolarHBondContact NH1-OE2 3.42Å; R59-E63 IonicContact NH2-OE2 2.83Å; R59-E63 PolarHBondContact NH2-OE2 3.42Å; R59-E63 PolarHBondContact O-N 2.98Å; H60-E63 IonicContact ND1-OE2 2.73Å; H60-E63 PolarHBondContact ND1-OE2 2.95Å; H60-E63 WeakPolarHBondContact O-CB 3.47Å; H60-E63 PolarHBondContact O-N 3.19Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 2.83Å; E63-G66 WeakPolarHBondContact O-CA 2.97Å; E63-G66 PolarHBondContact O-N 3.47Å; E63-E67 PolarHBondContact O-N 3.15Å |
| 64 | L | 93.3 | Very high | 88.4 | Confident | 81 Ų | 81 | 75.6 Ų | 75.6 | 42% | 0.424 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.7 | -37.1 | 178.1 | -71 | 176.1 | 0 | 0 | 0 | 112.8 | H60 E67 A68 | H60-L64 WeakPolarHBondContact O-CB 3.47Å; H60-L64 WeakPolarHBondContact O-CG 3.25Å; H60-L64 PolarHBondContact O-N 2.96Å; L64-E67 PolarHBondContact O-N 3.19Å; L64-A68 WeakPolarHBondContact O-CB 3.49Å; L64-A68 PolarHBondContact O-N 3.36Å |
| 65 | R | 87.6 | Confident | 86.4 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 45% | 0.445 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 173.3 | -79.2 | 174 | 170.8 | -175.7 | -2.5 | 111.6 | V61 R62 E63 E67 A68 D69 E82 | V61-R65 WeakPolarHBondContact O-CB 3.34Å; V61-R65 VanDerWaalsContact O-CG 3.24Å; V61-R65 WeakPolarHBondContact O-CG 3.24Å; V61-R65 PolarHBondContact O-N 3.25Å; R62-R65 PolarHBondContact O-N 3.44Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 2.83Å; R65-E67 VanDerWaalsContact C-N 3.33Å; R65-E67 PolarHBondContact O-N 3.35Å; R65-A68 PolarHBondContact O-N 2.67Å; R65-D69 WeakPolarHBondContact O-CB 3.46Å; R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 2.99Å; R65-E82 IonicContact CZ-OE1 2.86Å; R65-E82 IonicContact CZ-OE2 3.28Å; R65-E82 IonicContact NE-OE1 2.81Å; R65-E82 PolarHBondContact NE-OE1 3.01Å; R65-E82 IonicContact NE-OE2 3.41Å; R65-E82 IonicContact NH2-OE1 3.87Å; R65-E82 PolarHBondContact NH2-OE1 2.91Å; R65-E82 IonicContact NH2-OE2 3.7Å; R65-E82 PolarHBondContact NH2-OE2 3.28Å |
| 66 | G | 89.2 | Confident | 84.6 | Confident | 38 Ų | 38 | 75.2 Ų | 75.2 | 39% | 0.392 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R62 E63 D69 A70 | R62-G66 PolarHBondContact O-N 2.92Å; E63-G66 WeakPolarHBondContact O-CA 2.97Å; E63-G66 PolarHBondContact O-N 3.47Å; G66-D69 PolarHBondContact O-N 3.48Å; G66-A70 WeakPolarHBondContact O-CB 3.39Å; G66-A70 PolarHBondContact O-N 3.09Å |
| 67 | E | 89.9 | Confident | 83.1 | Confident | 111 Ų | 111 | 77.8 Ų | 77.8 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 174.9 | -70.7 | 178 | -179.9 | 0 | 0 | 112.3 | E63 L64 R65 A70 A71 | E63-E67 PolarHBondContact O-N 3.15Å; L64-E67 PolarHBondContact O-N 3.19Å; R65-E67 VanDerWaalsContact C-N 3.33Å; R65-E67 PolarHBondContact O-N 3.35Å; E67-A70 PolarHBondContact O-N 3.45Å; E67-A71 VanDerWaalsContact O-CB 3.3Å; E67-A71 WeakPolarHBondContact O-CB 3.5Å; E67-A71 PolarHBondContact O-N 2.94Å |
| 68 | A | 84.8 | Confident | 82 | Confident | 50 Ų | 50 | 77 Ų | 77 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L64 R65 A71 A72 | L64-A68 WeakPolarHBondContact O-CB 3.49Å; L64-A68 PolarHBondContact O-N 3.36Å; R65-A68 PolarHBondContact O-N 2.67Å; A68-A71 PolarHBondContact O-N 3.26Å; A68-A72 WeakPolarHBondContact O-CB 3.49Å; A68-A72 PolarHBondContact O-N 3.15Å |
| 69 | D | 82 | Confident | 81.4 | Confident | 116 Ų | 116 | 76.2 Ų | 76.2 | 62% | 0.62 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.2 | -42.6 | 176.7 | -70.1 | -24.8 | 0 | 0 | 0 | 111.4 | R65 G66 A72 A73 | R65-D69 WeakPolarHBondContact O-CB 3.46Å; R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 2.99Å; G66-D69 PolarHBondContact O-N 3.48Å; D69-A72 PolarHBondContact O-N 2.68Å; D69-A73 PolarHBondContact O-N 2.69Å |
| 70 | A | 83.9 | Confident | 81.1 | Confident | 67 Ų | 67 | 71.9 Ų | 71.9 | 55% | 0.554 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | G66 E67 A72 A73 G74 | G66-A70 WeakPolarHBondContact O-CB 3.39Å; G66-A70 PolarHBondContact O-N 3.09Å; E67-A70 PolarHBondContact O-N 3.45Å; A70-A72 VanDerWaalsContact C-N 3.31Å; A70-A72 PolarHBondContact O-N 3.36Å; A70-A73 PolarHBondContact O-N 3.19Å; A70-G74 PolarHBondContact O-N 2.94Å |
| 71 | A | 81.2 | Confident | 80.5 | Confident | 64 Ų | 64 | 71.4 Ų | 71.4 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E67 A68 A75 | E67-A71 VanDerWaalsContact O-CB 3.3Å; E67-A71 WeakPolarHBondContact O-CB 3.5Å; E67-A71 PolarHBondContact O-N 2.94Å; A68-A71 PolarHBondContact O-N 3.26Å; A71-A75 VanDerWaalsContact O-CB 3.22Å; A71-A75 WeakPolarHBondContact O-CB 3.26Å; A71-A75 PolarHBondContact O-N 3.44Å; A71-A75 VanDerWaalsContact O-N 3.15Å |
| 72 | A | 75.2 | Confident | 79.9 | Confident | 29 Ų | 29 | 74.7 Ų | 74.7 | 24% | 0.24 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.1 | -31.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A68 D69 A70 V79 | A68-A72 WeakPolarHBondContact O-CB 3.49Å; A68-A72 PolarHBondContact O-N 3.15Å; D69-A72 PolarHBondContact O-N 2.68Å; A70-A72 VanDerWaalsContact C-N 3.31Å; A70-A72 PolarHBondContact O-N 3.36Å; A72-V79 HydrophobicContact CB-CB 4.31Å; A72-V79 HydrophobicContact CB-CG2 4.28Å |
| 73 | A | 71.9 | Confident | 79.5 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 75% | 0.752 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -70.1 | -33.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D69 A70 | D69-A73 PolarHBondContact O-N 2.69Å; A70-A73 PolarHBondContact O-N 3.19Å |
| 74 | G | 58.6 | Low | 79.4 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 79% | 0.794 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -91.3 | -16.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A70 | A70-G74 PolarHBondContact O-N 2.94Å |
| 75 | A | 54.1 | Low | 79.4 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 37% | 0.372 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -99 | 142.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A71 V77 | A71-A75 VanDerWaalsContact O-CB 3.22Å; A71-A75 WeakPolarHBondContact O-CB 3.26Å; A71-A75 PolarHBondContact O-N 3.44Å; A71-A75 VanDerWaalsContact O-N 3.15Å; A75-V77 HydrophobicContact CB-CB 4.17Å; A75-V77 HydrophobicContact CB-CG2 4.38Å; A75-V77 PolarHBondContact O-N 2.98Å; A75-V77 VanDerWaalsContact O-N 3.07Å |
| 76 | A | 58.5 | Low | 79.7 | Confident | 84 Ų | 84 | 62.8 Ų | 62.8 | 69% | 0.694 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -65.3 | -1.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113 | A78 | A76-A78 PolarHBondContact O-N 2.75Š|
| 77 | V | 64.5 | Low | 79.9 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -87.6 | 111.3 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | A75 V79 | A75-V77 HydrophobicContact CB-CB 4.17Å; A75-V77 HydrophobicContact CB-CG2 4.38Å; A75-V77 PolarHBondContact O-N 2.98Å; A75-V77 VanDerWaalsContact O-N 3.07Å; V77-V79 VanDerWaalsContact C-N 3.3Å; V77-V79 HydrophobicContact CG1-CG2 4.42Å; V77-V79 PolarHBondContact O-N 2.67Å |
| 78 | A | 75.2 | Confident | 80 | Confident | 13 Ų | 13 | 56.1 Ų | 56.1 | 11% | 0.107 | 40% | 0.395 | C | S | . | . | trans | -69.6 | 78.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | A76 A140 R147 V149 | A76-A78 PolarHBondContact O-N 2.75Å; A78-A140 WeakPolarHBondContact O-CB 3.47Å; A78-R147 HydrophobicContact CB-CG 4.19Å; A78-V149 HydrophobicContact CB-CG2 3.63Å | ||
| 79 | V | 84.2 | Confident | 80.3 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 33% | 0.333 | 40% | 0.397 | S | S | . | . | trans | -62.4 | 130 | 177.9 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | A72 V77 G81 R147 | A72-V79 HydrophobicContact CB-CB 4.31Å; A72-V79 HydrophobicContact CB-CG2 4.28Å; V77-V79 VanDerWaalsContact C-N 3.3Å; V77-V79 HydrophobicContact CG1-CG2 4.42Å; V77-V79 PolarHBondContact O-N 2.67Å; V79-G81 PolarHBondContact O-N 3.03Å; V79-R147 WeakPolarHBondContact O-CD 3.34Å; V79-R147 PolarHBondContact O-NH1 2.9Å | ||
| 80 | P | 88.3 | Confident | 80.4 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | trans | -61.7 | 133 | 173.8 | -21.2 | 33 | 0 | 0 | 0 | 112.3 | A140 V142 R145 R147 | P80-A140 WeakPolarHBondContact CG-O 3.3Å; P80-V142 HydrophobicContact CG-CB 4.12Å; P80-V142 HydrophobicContact CG-CG2 4.22Å; P80-R145 HydrophobicContact CB-CB 3.92Å; P80-R145 WeakPolarHBondContact CG-O 3.4Å; P80-R147 HydrophobicContact CB-CB 4.1Å; P80-R147 HydrophobicContact CG-CB 3.98Å | ||
| 81 | G | 83.5 | Confident | 79.9 | Confident | 28 Ų | 28 | 53.6 Ų | 53.6 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | trans | -74 | -174.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V79 C112 R145 | V79-G81 PolarHBondContact O-N 3.03Å; G81-C112 PolarHBondContact N-SG 3.15Å; G81-R145 PolarHBondContact O-NH1 3.44Å | ||
| 82 | E | 83.3 | Confident | 79 | Confident | 135 Ų | 135 | 59.9 Ų | 59.9 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -85.5 | -24.5 | 176.9 | -62.9 | -171.7 | 164.2 | 0 | 0 | 113.5 | R65 R145 | R65-E82 IonicContact CZ-OE1 2.86Å; R65-E82 IonicContact CZ-OE2 3.28Å; R65-E82 IonicContact NE-OE1 2.81Å; R65-E82 PolarHBondContact NE-OE1 3.01Å; R65-E82 IonicContact NE-OE2 3.41Å; R65-E82 IonicContact NH2-OE1 3.87Å; R65-E82 PolarHBondContact NH2-OE1 2.91Å; R65-E82 IonicContact NH2-OE2 3.7Å; R65-E82 PolarHBondContact NH2-OE2 3.28Å; E82-R145 PolarHBondContact O-NH1 3.43Å; E82-R145 PolarHBondContact O-NH2 3.47Å |
| 83 | G | 86.2 | Confident | 78.2 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 32% | 0.32 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -105.5 | 162.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R145 | G83-R145 VanDerWaalsContact C-NH1 3.26Å; G83-R145 VanDerWaalsContact N-NH1 3.11Å; G83-R145 PolarHBondContact O-NH1 2.87Å; G83-R145 PolarHBondContact O-NH2 2.84Å |
| 84 | D | 93.1 | Very high | 77.5 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | trans | -75.7 | 124.6 | 167.4 | -75.5 | 5.5 | 0 | 0 | 0 | 108.5 | C112 C113 R145 L180 R183 | D84-C112 CarbonylContact C-O 3.51Å; D84-C112 VanDerWaalsContact CA-O 3.25Å; D84-C112 WeakPolarHBondContact CA-O 3.49Å; D84-C113 WeakPolarHBondContact OD1-CA 3.35Å; D84-R145 IonicContact OD1-CZ 2.74Å; D84-R145 IonicContact OD1-NH2 3.76Å; D84-R145 PolarHBondContact OD1-NH2 3.27Å; D84-L180 HydrophobicContact CB-CD1 4.07Å; D84-R183 IonicContact OD1-NH1 2.67Å; D84-R183 PolarHBondContact OD1-NH1 3.43Å; D84-R183 IonicContact OD2-CZ 3.35Å; D84-R183 IonicContact OD2-NH1 3.85Å; D84-R183 PolarHBondContact OD2-NH1 3.37Å | ||
| 85 | E | 91.7 | Very high | 77.2 | Confident | 91 Ų | 91 | 71.9 Ų | 71.9 | 43% | 0.425 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 141.2 | -173.8 | -66.1 | 177.1 | -163.1 | 0 | 0 | 111.1 | V111 C112 | E85-V111 CarbonylContact O-C 3.56Å; E85-V111 WeakPolarHBondContact O-CA 3.48Å; E85-C112 HydrophobicContact CB-CB 4.26Å; E85-C112 PolarHBondContact N-O 3.28Å; E85-C112 PolarHBondContact O-N 3.48Å |
| 86 | V | 94.2 | Very high | 77.2 | Confident | 23 Ų | 23 | 77.8 Ų | 77.8 | 14% | 0.139 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 126.4 | 170.9 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | W110 V111 Q173 L176 R177 L180 | V86-W110 WeakPolarHBondContact CA-O 3.36Å; V86-V111 HydrophobicContact CG2-CG1 4.23Å; V86-V111 HydrophobicContact CG2-CG2 4.2Å; V86-Q173 HydrophobicContact CG1-CG 4.21Å; V86-L176 HydrophobicContact CG1-CB 3.72Å; V86-L176 HydrophobicContact CG1-CD1 4.39Å; V86-R177 HydrophobicContact CB-CG 4.04Å; V86-R177 HydrophobicContact CG1-CG 4.22Å; V86-R177 HydrophobicContact CG2-CG 4.18Å; V86-L180 HydrophobicContact CG2-CD1 3.47Å; V86-L180 VanDerWaalsContact CG2-CD1 3.47Å; V86-L180 HydrophobicContact CG2-CG 3.96Å |
| 87 | G | 93 | Very high | 76.8 | Confident | 7 Ų | 7 | 76.2 Ų | 76.2 | 7% | 0.072 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 155.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A109 W110 | G87-A109 CarbonylContact O-C 3.55Å; G87-A109 VanDerWaalsContact O-CA 3.3Å; G87-A109 WeakPolarHBondContact O-CA 3.24Å; G87-W110 VanDerWaalsContact CA-CE2 3.41Å; G87-W110 PolarHBondContact N-O 3.49Å; G87-W110 PolarHBondContact O-N 3.02Å |
| 88 | V | 93.6 | Very high | 76 | Confident | 2 Ų | 2 | 81.9 Ų | 81.9 | 1% | 0.012 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 126.4 | 176.9 | -178.7 | 0 | 0 | 0 | 0 | 105.7 | V107 R108 A109 R169 L172 Q173 | V88-V107 HydrophobicContact CG1-CG1 3.38Å; V88-R108 CarbonylContact C-O 3.51Å; V88-R108 WeakPolarHBondContact CA-O 3.23Å; V88-A109 HydrophobicContact CG2-CB 4.15Å; V88-R169 HydrophobicContact CB-CG 4.17Å; V88-R169 HydrophobicContact CG1-CB 4.39Å; V88-R169 HydrophobicContact CG1-CG 3.96Å; V88-R169 PolarHBondContact O-NH1 3.39Å; V88-R169 PolarHBondContact O-NH2 3.45Å; V88-L172 HydrophobicContact CG1-CD2 3.87Å; V88-L172 HydrophobicContact CG2-CD2 4.18Å; V88-L172 HydrophobicContact CG2-CG 4.18Å; V88-Q173 HydrophobicContact CG2-CB 3.82Å; V88-Q173 HydrophobicContact CG2-CG 4.08Å |
| 89 | E | 90.7 | Very high | 75.1 | Confident | 98 Ų | 98 | 84.7 Ų | 84.7 | 46% | 0.458 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126 | 176.5 | 179.5 | 179.1 | -165.2 | 0 | 0 | 107.5 | R108 W110 | E89-R108 HydrophobicContact CB-CB 4.47Å; E89-R108 PolarHBondContact N-O 3.01Å; E89-R108 PolarHBondContact O-N 2.85Å; E89-R108 IonicContact OE2-NH1 2.62Å; E89-W110 HydrophobicContact CB-CH2 4.37Å; E89-W110 HydrophobicContact CB-CZ3 3.82Å |
| 90 | E | 83.7 | Confident | 73.6 | Confident | 49 Ų | 49 | 86 Ų | 86 | 23% | 0.229 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.7 | -179.7 | -63.2 | -179.8 | 142.1 | 0 | 0 | 108.3 | R105 R169 | E90-R105 VanDerWaalsContact CD-NH1 3.26Å; E90-R105 IonicContact OE1-CZ 3.59Å; E90-R105 VanDerWaalsContact OE1-CZ 3.27Å; E90-R105 IonicContact OE1-NH1 2.67Å; E90-R105 PolarHBondContact OE1-NH1 2.88Å; E90-R105 IonicContact OE1-NH2 3.12Å; E90-R105 PolarHBondContact OE1-NH2 2.89Å; E90-R105 IonicContact OE2-CZ 3.36Å; E90-R105 IonicContact OE2-NH1 3.9Å; E90-R105 IonicContact OE2-NH2 3.23Å; E90-R105 PolarHBondContact OE2-NH2 3.3Å; E90-R169 HydrophobicContact CG-CB 4.19Å; E90-R169 WeakPolarHBondContact OE1-CB 3.4Å |
| 91 | G | 74 | Confident | 72.1 | Confident | 34 Ų | 34 | 92.7 Ų | 92.7 | 35% | 0.351 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 149 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R106 | G91-R106 PolarHBondContact N-O 2.73Š|
| 92 | H | 61.7 | Low | 70.8 | Confident | 195 Ų | 195 | 97.7 Ų | 97.7 | 90% | 0.903 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -78.3 | 137 | 161.1 | -72.9 | -46.8 | 0 | 0 | 0 | 109.4 | ||
| 93 | Q | 58.2 | Low | 69.9 | Low | 176 Ų | 176 | 92.2 Ų | 92.2 | 82% | 0.822 | 49% | 0.488 | S | S | * | . | trans | 94 | 121 | 167 | -108.7 | 161.5 | 22 | 0 | 0 | 120.2 | ||||
| 94 | H | 56.2 | Low | 69.1 | Low | 112 Ų | 112 | 91.6 Ų | 91.6 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | trans | -43.6 | 121.4 | 155.9 | -91.9 | -159.7 | 0 | 0 | 0 | 111.6 | A103 | H94-A103 HydrophobicContact CB-CB 3.52Å; H94-A103 WeakPolarHBondContact CE1-CB 3.32Å; H94-A103 WeakPolarHBondContact ND1-CB 3.36Å | ||
| 95 | R | 53.6 | Low | 68.6 | Low | 161 Ų | 161 | 91.6 Ų | 91.6 | 61% | 0.608 | 48% | 0.475 | S | S | * | . | B | Isolated β-bridge | trans | -82 | 114.3 | 150.8 | -168.9 | 178.7 | -67.5 | -177.5 | -2.2 | 105.9 | C97 A103 | R95-C97 PolarHBondContact O-N 3.27Å; R95-C97 VanDerWaalsContact O-N 3.1Å; R95-A103 VanDerWaalsContact O-CA 3.24Å; R95-A103 WeakPolarHBondContact O-CA 3.27Å; R95-A103 WeakPolarHBondContact O-CB 3.5Å |
| 96 | F | 54.2 | Low | 68.5 | Low | 169 Ų | 169 | 90.3 Ų | 90.3 | 74% | 0.741 | 47% | 0.466 | S | S | * | . | trans | -60.4 | 114.6 | 161.4 | -68.4 | -83.1 | 0 | 0 | 0 | 106.3 | H98 | F96-H98 PolarHBondContact O-N 3.4Š| ||
| 97 | C | 49.3 | Very low | 68.3 | Low | 52 Ų | 52 | 89.2 Ų | 89.2 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | trans | -61.3 | 126.3 | 170 | -57.2 | 0 | 0 | 0 | 0 | 106.4 | R95 G99 G100 E101 | R95-C97 PolarHBondContact O-N 3.27Å; R95-C97 VanDerWaalsContact O-N 3.1Å; C97-G99 PolarHBondContact O-N 2.74Å; C97-G100 PolarHBondContact O-N 3.22Å; C97-E101 HydrophobicContact CB-CB 4.48Å; C97-E101 WeakPolarHBondContact CB-O 3.39Å | ||
| 98 | H | 48.1 | Very low | 68.3 | Low | 210 Ų | 210 | 93.9 Ų | 93.9 | 97% | 0.972 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 108.8 | 172.1 | -123.1 | -24.5 | 0 | 0 | 0 | 107 | F96 | F96-H98 PolarHBondContact O-N 3.4Š|
| 99 | G | 55.4 | Low | 68.3 | Low | 72 Ų | 72 | 93.8 Ų | 93.8 | 74% | 0.742 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 135 | 3.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | C97 E101 | C97-G99 PolarHBondContact O-N 2.74Å; G99-E101 PolarHBondContact O-N 2.91Å |
| 100 | G | 52.9 | Low | 68.5 | Low | 83 Ų | 83 | 91.9 Ų | 91.9 | 86% | 0.856 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 77.6 | -1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | C97 | C97-G100 PolarHBondContact O-N 3.22Š|
| 101 | E | 56.9 | Low | 69 | Low | 156 Ų | 156 | 89.6 Ų | 89.6 | 73% | 0.729 | 45% | 0.453 | S | S | * | . | trans | -75.6 | 129.8 | 169 | -79.6 | -179.2 | 159.2 | 0 | 0 | 110.5 | C97 G99 A103 | C97-E101 HydrophobicContact CB-CB 4.48Å; C97-E101 WeakPolarHBondContact CB-O 3.39Å; G99-E101 PolarHBondContact O-N 2.91Å; E101-A103 PolarHBondContact O-N 2.86Å | ||
| 102 | R | 56.5 | Low | 69.9 | Low | 134 Ų | 134 | 88 Ų | 88 | 51% | 0.506 | 44% | 0.436 | S | S | . | . | trans | -27 | 128.6 | 178.2 | -74.8 | 156.3 | 159 | -104.5 | -35.1 | 113.5 | A104 G156 H158 | R102-A104 PolarHBondContact O-N 3.28Å; R102-A104 VanDerWaalsContact O-N 3.14Å; R102-G156 PolarHBondContact NH1-O 3.24Å; R102-H158 VanDerWaalsContact CZ-CE1 3.42Å; R102-H158 PolarHBondContact NE-NE2 2.95Å; R102-H158 VanDerWaalsContact NE-NE2 3.17Å; R102-H158 PolarHBondContact NH1-CD2 2.81Å; R102-H158 PolarHBondContact NH2-CD2 3.01Å; R102-H158 PolarHBondContact NH2-CE1 3.24Å; R102-H158 PolarHBondContact NH2-ND1 2.93Å; R102-H158 PolarHBondContact NH2-NE2 3.39Å | ||
| 103 | A | 63.5 | Low | 71.5 | Confident | 19 Ų | 19 | 79 Ų | 79 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 119.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | H94 R95 E101 | H94-A103 HydrophobicContact CB-CB 3.52Å; H94-A103 WeakPolarHBondContact CE1-CB 3.32Å; H94-A103 WeakPolarHBondContact ND1-CB 3.36Å; R95-A103 VanDerWaalsContact O-CA 3.24Å; R95-A103 WeakPolarHBondContact O-CA 3.27Å; R95-A103 WeakPolarHBondContact O-CB 3.5Å; E101-A103 PolarHBondContact O-N 2.86Å |
| 104 | A | 71 | Confident | 73.2 | Confident | 19 Ų | 19 | 72 Ų | 72 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 141.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | R102 D153 | R102-A104 PolarHBondContact O-N 3.28Å; R102-A104 VanDerWaalsContact O-N 3.14Å; A104-D153 HydrophobicContact CB-CB 3.98Å |
| 105 | R | 83 | Confident | 74.9 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124.6 | 173.9 | -174 | 179.7 | -168.7 | -160.4 | 0.1 | 109.1 | E90 V107 D153 V154 S165 | E90-R105 VanDerWaalsContact CD-NH1 3.26Å; E90-R105 IonicContact OE1-CZ 3.59Å; E90-R105 VanDerWaalsContact OE1-CZ 3.27Å; E90-R105 IonicContact OE1-NH1 2.67Å; E90-R105 PolarHBondContact OE1-NH1 2.88Å; E90-R105 IonicContact OE1-NH2 3.12Å; E90-R105 PolarHBondContact OE1-NH2 2.89Å; E90-R105 IonicContact OE2-CZ 3.36Å; E90-R105 IonicContact OE2-NH1 3.9Å; E90-R105 IonicContact OE2-NH2 3.23Å; E90-R105 PolarHBondContact OE2-NH2 3.3Å; R105-V107 HydrophobicContact CG-CG2 4.41Å; R105-D153 WeakPolarHBondContact O-CA 3.22Å; R105-V154 PolarHBondContact N-O 2.64Å; R105-V154 PolarHBondContact O-N 2.93Å; R105-S165 PolarHBondContact NH1-O 2.74Å |
| 106 | R | 88 | Confident | 76.7 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 24% | 0.242 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 131.8 | 173.8 | -172.9 | 157.1 | -68.5 | -150.4 | 2.2 | 111.3 | G91 E151 L152 D153 | G91-R106 PolarHBondContact N-O 2.73Å; R106-E151 IonicContact CZ-OE2 2.69Å; R106-E151 IonicContact NH1-OE2 2.87Å; R106-E151 PolarHBondContact NH1-OE2 2.94Å; R106-L152 CarbonylContact C-O 3.58Å; R106-L152 WeakPolarHBondContact CA-O 3.31Å; R106-D153 IonicContact CZ-OD1 3.34Å; R106-D153 IonicContact NE-OD1 3.83Å; R106-D153 PolarHBondContact NE-OD1 3.21Å; R106-D153 IonicContact NH2-OD1 3.36Å; R106-D153 PolarHBondContact NH2-OD1 3.39Å; R106-D153 IonicContact NH2-OD2 3.78Å |
| 107 | V | 91.6 | Very high | 78.5 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.8 | 179.7 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | V88 R105 L152 V154 L172 | V88-V107 HydrophobicContact CG1-CG1 3.38Å; R105-V107 HydrophobicContact CG-CG2 4.41Å; V107-L152 PolarHBondContact N-O 2.89Å; V107-L152 PolarHBondContact O-N 3.32Å; V107-V154 HydrophobicContact CB-CG2 4.35Å; V107-V154 HydrophobicContact CG2-CG2 3.81Å; V107-L172 HydrophobicContact CG1-CD2 3.84Å |
| 108 | R | 92.6 | Very high | 80.6 | Confident | 104 Ų | 104 | 61.5 Ų | 61.5 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130 | 170.9 | -175.1 | 172.3 | 179.9 | -101.9 | 1.6 | 108.5 | V88 E89 V149 L150 | V88-R108 CarbonylContact C-O 3.51Å; V88-R108 WeakPolarHBondContact CA-O 3.23Å; E89-R108 HydrophobicContact CB-CB 4.47Å; E89-R108 PolarHBondContact N-O 3.01Å; E89-R108 PolarHBondContact O-N 2.85Å; E89-R108 IonicContact OE2-NH1 2.62Å; R108-V149 HydrophobicContact CG-CG1 4.26Å; R108-L150 CarbonylContact C-O 3.58Å; R108-L150 WeakPolarHBondContact CA-O 3.4Å |
| 109 | A | 93.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G87 V88 V149 L150 L152 L172 L176 | G87-A109 CarbonylContact O-C 3.55Å; G87-A109 VanDerWaalsContact O-CA 3.3Å; G87-A109 WeakPolarHBondContact O-CA 3.24Å; V88-A109 HydrophobicContact CG2-CB 4.15Å; A109-V149 CarbonylContact O-C 3.52Å; A109-V149 WeakPolarHBondContact O-CA 3.26Å; A109-L150 PolarHBondContact N-O 2.8Å; A109-L150 PolarHBondContact O-N 2.87Å; A109-L152 HydrophobicContact CB-CD1 4.35Å; A109-L172 HydrophobicContact CB-CD2 4.29Å; A109-L176 HydrophobicContact CB-CD1 3.76Å |
| 110 | W | 94 | Very high | 84.5 | Confident | 59 Ų | 59 | 52.2 Ų | 52.2 | 22% | 0.223 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 146.8 | 171.6 | 62.5 | 93.8 | 0 | 0 | 0 | 111.4 | V86 G87 E89 S148 V149 | V86-W110 WeakPolarHBondContact CA-O 3.36Å; G87-W110 VanDerWaalsContact CA-CE2 3.41Å; G87-W110 PolarHBondContact N-O 3.49Å; G87-W110 PolarHBondContact O-N 3.02Å; E89-W110 HydrophobicContact CB-CH2 4.37Å; E89-W110 HydrophobicContact CB-CZ3 3.82Å; W110-S148 CarbonylContact C-O 3.57Å; W110-S148 WeakPolarHBondContact CA-O 3.34Å; W110-V149 HydrophobicContact CB-CG2 4.08Å |
| 111 | V | 94.5 | Very high | 86.5 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 128.1 | 173.9 | -179 | 0 | 0 | 0 | 0 | 107.7 | E85 V86 L123 R147 S148 L176 L180 | E85-V111 CarbonylContact O-C 3.56Å; E85-V111 WeakPolarHBondContact O-CA 3.48Å; V86-V111 HydrophobicContact CG2-CG1 4.23Å; V86-V111 HydrophobicContact CG2-CG2 4.2Å; V111-L123 HydrophobicContact CB-CD2 4.14Å; V111-L123 HydrophobicContact CG1-CD2 4.17Å; V111-L123 HydrophobicContact CG2-CD2 3.87Å; V111-R147 CarbonylContact O-C 3.52Å; V111-R147 VanDerWaalsContact O-CA 3.29Å; V111-R147 WeakPolarHBondContact O-CA 3.46Å; V111-S148 PolarHBondContact N-O 2.91Å; V111-S148 PolarHBondContact O-N 3.17Å; V111-L176 HydrophobicContact CG2-CB 3.96Å; V111-L176 HydrophobicContact CG2-CD1 4.01Å; V111-L176 HydrophobicContact CG2-CD2 3.98Å; V111-L176 HydrophobicContact CG2-CG 4.2Å; V111-L180 HydrophobicContact CG1-CD2 3.93Å |
| 112 | C | 93.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.1 | 171.3 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | G81 D84 E85 T146 R147 | G81-C112 PolarHBondContact N-SG 3.15Å; D84-C112 CarbonylContact C-O 3.51Å; D84-C112 VanDerWaalsContact CA-O 3.25Å; D84-C112 WeakPolarHBondContact CA-O 3.49Å; E85-C112 HydrophobicContact CB-CB 4.26Å; E85-C112 PolarHBondContact N-O 3.28Å; E85-C112 PolarHBondContact O-N 3.48Å; C112-T146 WeakPolarHBondContact CA-O 3.32Å; C112-R147 HydrophobicContact CB-CB 4.37Å; C112-R147 HydrophobicContact CB-CG 4.27Å |
| 113 | C | 94.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 176 | -177.7 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | D84 R145 T146 L180 | D84-C113 WeakPolarHBondContact OD1-CA 3.35Å; C113-R145 CarbonylContact O-C 3.53Å; C113-R145 VanDerWaalsContact O-CA 3.24Å; C113-R145 WeakPolarHBondContact O-CA 3.3Å; C113-R145 WeakPolarHBondContact O-CB 3.06Å; C113-T146 PolarHBondContact N-O 3.46Å; C113-T146 PolarHBondContact O-N 3.39Å; C113-L180 HydrophobicContact CB-CD2 3.35Å |
| 114 | A | 93.2 | Very high | 91.8 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 136.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G144 | A114-G144 WeakPolarHBondContact CA-O 3.33Å |
| 115 | D | 92.4 | Very high | 92.9 | Very high | 81 Ų | 81 | 45 Ų | 45 | 43% | 0.433 | 23% | 0.233 | S | C | . | . | trans | -67.6 | 142 | 175.1 | -168.1 | 27.1 | 0 | 0 | 0 | 110.4 | T141 G144 T146 | D115-T141 HydrophobicContact CB-CG2 4.2Å; D115-G144 PolarHBondContact N-O 2.87Å; D115-T146 VanDerWaalsContact CB-OG1 3.26Å; D115-T146 WeakPolarHBondContact CB-OG1 3.44Å; D115-T146 VanDerWaalsContact CG-OG1 3.27Å; D115-T146 PolarHBondContact OD1-OG1 2.89Å | ||
| 116 | R | 92.2 | Very high | 93.5 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 15% | 0.151 | 23% | 0.225 | C | C | . | . | trans | -160.1 | 152.2 | -178 | 61.8 | -177.1 | -177.1 | 110.6 | -15.9 | 112.5 | G118 L119 E122 V179 S182 | R116-G118 PolarHBondContact O-N 3.27Å; R116-L119 HydrophobicContact CG-CB 3.95Å; R116-L119 WeakPolarHBondContact O-CB 3.37Å; R116-L119 PolarHBondContact O-N 3Å; R116-E122 IonicContact CZ-OE1 3.27Å; R116-E122 IonicContact CZ-OE2 2.91Å; R116-E122 IonicContact NE-OE2 2.68Å; R116-E122 VanDerWaalsContact NH1-CD 3.25Å; R116-E122 IonicContact NH1-OE1 3.24Å; R116-E122 PolarHBondContact NH1-OE1 3.25Å; R116-E122 IonicContact NH1-OE2 3.91Å; R116-E122 PolarHBondContact NH1-OE2 2.95Å; R116-E122 VanDerWaalsContact NH2-CD 3.34Å; R116-E122 IonicContact NH2-OE1 2.71Å; R116-E122 PolarHBondContact NH2-OE1 3.44Å; R116-E122 IonicContact NH2-OE2 3.28Å; R116-E122 PolarHBondContact NH2-OE2 2.78Å; R116-V179 PolarHBondContact NH2-O 2.94Å; R116-S182 PolarHBondContact NH2-OG 3.4Å | ||
| 117 | P | 91.6 | Very high | 93.8 | Very high | 114 Ų | 114 | 39.8 Ų | 39.8 | 74% | 0.74 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 136.5 | 172.8 | 25.6 | -34.8 | 0 | 0 | 0 | 110.2 | L119 | P117-L119 VanDerWaalsContact C-N 3.31Å; P117-L119 PolarHBondContact O-N 3.4Å |
| 118 | G | 92.7 | Very high | 93.9 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | -9.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | R116 M120 S121 E122 | R116-G118 PolarHBondContact O-N 3.27Å; G118-M120 VanDerWaalsContact C-N 3.29Å; G118-M120 PolarHBondContact O-N 2.97Å; G118-M120 VanDerWaalsContact O-N 3.16Å; G118-S121 WeakPolarHBondContact O-CA 3.44Å; G118-S121 WeakPolarHBondContact O-CB 3.4Å; G118-S121 PolarHBondContact O-N 3.43Å; G118-S121 PolarHBondContact O-OG 3.32Å; G118-E122 WeakPolarHBondContact O-CG 3.34Å; G118-E122 PolarHBondContact O-N 3.5Å |
| 119 | L | 93.5 | Very high | 94 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -50 | -47.1 | -178.1 | 179.4 | 63.2 | 0 | 0 | 0 | 112.7 | R116 P117 S121 E122 L123 T146 V179 | R116-L119 HydrophobicContact CG-CB 3.95Å; R116-L119 WeakPolarHBondContact O-CB 3.37Å; R116-L119 PolarHBondContact O-N 3Å; P117-L119 VanDerWaalsContact C-N 3.31Å; P117-L119 PolarHBondContact O-N 3.4Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 2.95Å; L119-E122 PolarHBondContact O-N 2.91Å; L119-L123 HydrophobicContact CD1-CD1 4.45Å; L119-L123 HydrophobicContact CD1-CG 4.38Å; L119-L123 HydrophobicContact CG-CD1 4.18Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 2.92Å; L119-T146 HydrophobicContact CD2-CG2 4.1Å; L119-V179 HydrophobicContact CD1-CG1 3.83Å |
| 120 | M | 93.4 | Very high | 93.9 | Very high | 84 Ų | 84 | 48.1 Ų | 48.1 | 41% | 0.414 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.5 | -35.7 | 179.1 | -63 | -55.4 | 112 | 0 | 0 | 112.8 | G118 L123 G124 I139 T146 | G118-M120 VanDerWaalsContact C-N 3.29Å; G118-M120 PolarHBondContact O-N 2.97Å; G118-M120 VanDerWaalsContact O-N 3.16Å; M120-L123 HydrophobicContact CE-CD1 3.76Å; M120-L123 HydrophobicContact SD-CD1 4.22Å; M120-G124 PolarHBondContact O-N 2.84Å; M120-I139 HydrophobicContact SD-CD1 3.55Å; M120-I139 VanDerWaalsContact SD-CD1 3.55Å; M120-I139 HydrophobicContact SD-CG1 4.48Å; M120-T146 HydrophobicContact CE-CG2 3.99Å |
| 121 | S | 95 | Very high | 93.7 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 47% | 0.469 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.7 | -36.4 | 177.5 | 77 | 0 | 0 | 0 | 0 | 111.9 | G118 L119 R125 | G118-S121 WeakPolarHBondContact O-CA 3.44Å; G118-S121 WeakPolarHBondContact O-CB 3.4Å; G118-S121 PolarHBondContact O-N 3.43Å; G118-S121 PolarHBondContact O-OG 3.32Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 2.95Å; S121-R125 WeakPolarHBondContact O-CB 3.33Å; S121-R125 PolarHBondContact O-N 3.49Å |
| 122 | E | 95.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 49 Ų | 49 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.3 | -42.8 | 177.2 | -60.9 | 174.2 | 143.9 | 0 | 0 | 111.4 | R116 G118 L119 G124 R125 A126 V179 | R116-E122 IonicContact CZ-OE1 3.27Å; R116-E122 IonicContact CZ-OE2 2.91Å; R116-E122 IonicContact NE-OE2 2.68Å; R116-E122 VanDerWaalsContact NH1-CD 3.25Å; R116-E122 IonicContact NH1-OE1 3.24Å; R116-E122 PolarHBondContact NH1-OE1 3.25Å; R116-E122 IonicContact NH1-OE2 3.91Å; R116-E122 PolarHBondContact NH1-OE2 2.95Å; R116-E122 VanDerWaalsContact NH2-CD 3.34Å; R116-E122 IonicContact NH2-OE1 2.71Å; R116-E122 PolarHBondContact NH2-OE1 3.44Å; R116-E122 IonicContact NH2-OE2 3.28Å; R116-E122 PolarHBondContact NH2-OE2 2.78Å; G118-E122 WeakPolarHBondContact O-CG 3.34Å; G118-E122 PolarHBondContact O-N 3.5Å; L119-E122 PolarHBondContact O-N 2.91Å; E122-G124 VanDerWaalsContact C-N 3.35Å; E122-R125 PolarHBondContact O-N 2.95Å; E122-A126 WeakPolarHBondContact O-CB 3.48Å; E122-A126 PolarHBondContact O-N 3.49Å; E122-V179 HydrophobicContact CB-CG1 3.88Å; E122-V179 HydrophobicContact CB-CG2 4.28Å |
| 123 | L | 95.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.2 | -47.9 | 171.1 | -72.1 | 174.6 | 0 | 0 | 0 | 110.8 | V111 L119 M120 R125 A126 V127 L176 V179 | V111-L123 HydrophobicContact CB-CD2 4.14Å; V111-L123 HydrophobicContact CG1-CD2 4.17Å; V111-L123 HydrophobicContact CG2-CD2 3.87Å; L119-L123 HydrophobicContact CD1-CD1 4.45Å; L119-L123 HydrophobicContact CD1-CG 4.38Å; L119-L123 HydrophobicContact CG-CD1 4.18Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 2.92Å; M120-L123 HydrophobicContact CE-CD1 3.76Å; M120-L123 HydrophobicContact SD-CD1 4.22Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 2.65Å; L123-A126 PolarHBondContact O-N 3.41Å; L123-V127 WeakPolarHBondContact O-CG2 3.47Å; L123-V127 PolarHBondContact O-N 3.37Å; L123-L176 HydrophobicContact CD2-CD2 4.03Å; L123-V179 HydrophobicContact CD2-CB 4.46Å; L123-V179 HydrophobicContact CD2-CG1 4.12Å; L123-V179 HydrophobicContact CD2-CG2 4.36Å; L123-V179 HydrophobicContact CG-CG1 4.36Å |
| 124 | G | 95.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 59.5 Ų | 59.5 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M120 E122 R128 | M120-G124 PolarHBondContact O-N 2.84Å; E122-G124 VanDerWaalsContact C-N 3.35Å; G124-R128 WeakPolarHBondContact O-CB 3.29Å; G124-R128 WeakPolarHBondContact O-CG 3.39Å; G124-R128 PolarHBondContact O-N 3.21Å; G124-R128 PolarHBondContact O-NH1 2.89Å |
| 125 | R | 95.6 | Very high | 93.3 | Very high | 138 Ų | 138 | 60.6 Ų | 60.6 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 175.5 | -177.2 | 172.8 | 64.1 | -125 | 3.2 | 111.7 | S121 E122 L123 R128 S129 | S121-R125 WeakPolarHBondContact O-CB 3.33Å; S121-R125 PolarHBondContact O-N 3.49Å; E122-R125 PolarHBondContact O-N 2.95Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 2.65Å; R125-R128 PolarHBondContact O-N 2.9Å; R125-S129 WeakPolarHBondContact O-CB 3.41Å; R125-S129 PolarHBondContact O-N 3.16Å |
| 126 | A | 95.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 62.9 Ų | 62.9 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E122 L123 R128 S129 A175 L176 V179 | E122-A126 WeakPolarHBondContact O-CB 3.48Å; E122-A126 PolarHBondContact O-N 3.49Å; L123-A126 PolarHBondContact O-N 3.41Å; A126-R128 PolarHBondContact O-N 3.23Å; A126-S129 PolarHBondContact O-N 2.9Å; A126-S129 PolarHBondContact O-OG 3.41Å; A126-A175 HydrophobicContact CB-CB 4.15Å; A126-A175 WeakPolarHBondContact CB-O 3.27Å; A126-L176 HydrophobicContact CB-CD2 4.2Å; A126-V179 HydrophobicContact CB-CG2 3.71Å |
| 127 | V | 94.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 6% | 0.055 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L123 S129 V130 A132 L150 L152 L176 | L123-V127 WeakPolarHBondContact O-CG2 3.47Å; L123-V127 PolarHBondContact O-N 3.37Å; V127-S129 VanDerWaalsContact C-N 3.32Å; V127-S129 PolarHBondContact O-N 3.18Å; V127-V130 VanDerWaalsContact O-CG2 3.26Å; V127-V130 WeakPolarHBondContact O-CG2 3.36Å; V127-V130 PolarHBondContact O-N 2.81Å; V127-A132 HydrophobicContact CG1-CB 3.97Å; V127-A132 WeakPolarHBondContact CG1-O 3.2Å; V127-A132 PolarHBondContact O-N 2.84Å; V127-L150 HydrophobicContact CG2-CD1 3.97Å; V127-L152 HydrophobicContact CG1-CD1 4.37Å; V127-L152 HydrophobicContact CG1-CD2 3.76Å; V127-L152 HydrophobicContact CG2-CD1 4.13Å; V127-L152 HydrophobicContact CG2-CD2 4.08Å; V127-L176 HydrophobicContact CG2-CD2 4.4Å |
| 128 | R | 93.7 | Very high | 93.4 | Very high | 165 Ų | 165 | 60.7 Ų | 60.7 | 62% | 0.623 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65 | -33.4 | 176.9 | -72.6 | -172.5 | -60.1 | -87.7 | 2.5 | 113 | G124 R125 A126 V130 S131 | G124-R128 WeakPolarHBondContact O-CB 3.29Å; G124-R128 WeakPolarHBondContact O-CG 3.39Å; G124-R128 PolarHBondContact O-N 3.21Å; G124-R128 PolarHBondContact O-NH1 2.89Å; R125-R128 PolarHBondContact O-N 2.9Å; A126-R128 PolarHBondContact O-N 3.23Å; R128-V130 PolarHBondContact O-N 3.03Å; R128-S131 PolarHBondContact O-N 3.37Å |
| 129 | S | 93.9 | Very high | 93.5 | Very high | 81 Ų | 81 | 63 Ų | 63 | 57% | 0.566 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.5 | -25.2 | -178.9 | 76.1 | 0 | 0 | 0 | 0 | 113.4 | R125 A126 V127 | R125-S129 WeakPolarHBondContact O-CB 3.41Å; R125-S129 PolarHBondContact O-N 3.16Å; A126-S129 PolarHBondContact O-N 2.9Å; A126-S129 PolarHBondContact O-OG 3.41Å; V127-S129 VanDerWaalsContact C-N 3.32Å; V127-S129 PolarHBondContact O-N 3.18Å |
| 130 | V | 92.1 | Very high | 93.4 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 17.1 | 177.4 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | V127 R128 A132 A171 L172 A175 | V127-V130 VanDerWaalsContact O-CG2 3.26Å; V127-V130 WeakPolarHBondContact O-CG2 3.36Å; V127-V130 PolarHBondContact O-N 2.81Å; R128-V130 PolarHBondContact O-N 3.03Å; V130-A132 HydrophobicContact CG2-CB 3.9Å; V130-A132 PolarHBondContact O-N 2.86Å; V130-A132 VanDerWaalsContact O-N 3.15Å; V130-A171 HydrophobicContact CG1-CB 4.13Å; V130-L172 HydrophobicContact CG2-CB 4.31Å; V130-L172 HydrophobicContact CG2-CD1 3.81Å; V130-A175 HydrophobicContact CG1-CB 3.94Å |
| 131 | S | 89.3 | Confident | 93.4 | Very high | 69 Ų | 69 | 63.2 Ų | 63.2 | 48% | 0.483 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 30.2 | -178.3 | -56.5 | 0 | 0 | 0 | 0 | 113.6 | R128 | R128-S131 PolarHBondContact O-N 3.37Š|
| 132 | A | 90.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 64.2 Ų | 64.2 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 150.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V127 V130 L152 D153 V154 | V127-A132 HydrophobicContact CG1-CB 3.97Å; V127-A132 WeakPolarHBondContact CG1-O 3.2Å; V127-A132 PolarHBondContact O-N 2.84Å; V130-A132 HydrophobicContact CG2-CB 3.9Å; V130-A132 PolarHBondContact O-N 2.86Å; V130-A132 VanDerWaalsContact O-N 3.15Å; A132-L152 HydrophobicContact CB-CB 4.4Å; A132-L152 HydrophobicContact CB-CD1 4.4Å; A132-D153 CarbonylContact C-O 3.53Å; A132-D153 WeakPolarHBondContact CA-O 3.34Å; A132-V154 HydrophobicContact CB-CG2 4.07Å |
| 133 | R | 91.8 | Very high | 93 | Very high | 174 Ų | 174 | 67 Ų | 67 | 66% | 0.657 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124 | 175.6 | 176.4 | 179.7 | 172.2 | -131.4 | 1.4 | 109.3 | V135 L152 D153 | R133-V135 PolarHBondContact O-N 2.97Å; R133-L152 CarbonylContact O-C 3.48Å; R133-L152 VanDerWaalsContact O-CA 3.3Å; R133-L152 WeakPolarHBondContact O-CA 3.41Å; R133-D153 PolarHBondContact N-O 3.36Å; R133-D153 PolarHBondContact O-N 2.91Å |
| 134 | A | 92.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 68.8 Ų | 68.8 | 43% | 0.43 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 125.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E151 L152 | A134-E151 WeakPolarHBondContact CA-O 3.36Å; A134-L152 VanDerWaalsContact CA-CD2 3.49Å; A134-L152 HydrophobicContact CB-CD2 3.63Å |
| 135 | V | 93 | Very high | 92.7 | Very high | 52 Ų | 52 | 70 Ų | 70 | 32% | 0.315 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -26.3 | 176.8 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | R133 E151 D153 | R133-V135 PolarHBondContact O-N 2.97Å; V135-E151 HydrophobicContact CG2-CB 3.66Å; V135-E151 WeakPolarHBondContact CG2-O 3.39Å; V135-E151 PolarHBondContact N-O 3Å; V135-D153 HydrophobicContact CG1-CB 4.23Å; V135-D153 VanDerWaalsContact CG1-OD2 3.27Å; V135-D153 WeakPolarHBondContact CG1-OD2 3.19Å |
| 136 | R | 91.9 | Very high | 92.6 | Very high | 128 Ų | 128 | 63.5 Ų | 63.5 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 142.6 | 171.7 | -174.1 | -174.7 | 178.9 | 177 | 3.8 | 108.5 | E138 E151 | R136-E138 IonicContact CZ-OE1 3.52Å; R136-E138 IonicContact NE-OE1 3.92Å; R136-E138 PolarHBondContact NE-OE1 3.31Å; R136-E138 IonicContact NH2-OE1 3.61Å; R136-E138 PolarHBondContact NH2-OE1 3.45Å; R136-E151 HydrophobicContact CB-CB 4Å; R136-E151 HydrophobicContact CB-CG 4.19Å; R136-E151 WeakPolarHBondContact CD-OE1 3.07Å; R136-E151 PolarHBondContact N-O 2.98Å; R136-E151 IonicContact NH1-OE1 3.27Å; R136-E151 PolarHBondContact NH1-OE1 3.32Å; R136-E151 PolarHBondContact O-N 3.41Å |
| 137 | A | 93.7 | Very high | 92.5 | Very high | 56 Ų | 56 | 66 Ų | 66 | 46% | 0.463 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 127.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | V149 L150 | A137-V149 CarbonylContact C-O 3.56Å; A137-V149 WeakPolarHBondContact CA-O 3.24Å; A137-L150 HydrophobicContact CB-CD2 3.57Å |
| 138 | E | 92.9 | Very high | 92.5 | Very high | 52 Ų | 52 | 65.6 Ų | 65.6 | 24% | 0.243 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127 | 169.1 | -65.8 | 179.8 | 165.3 | 0 | 0 | 107.8 | R136 S148 V149 | R136-E138 IonicContact CZ-OE1 3.52Å; R136-E138 IonicContact NE-OE1 3.92Å; R136-E138 PolarHBondContact NE-OE1 3.31Å; R136-E138 IonicContact NH2-OE1 3.61Å; R136-E138 PolarHBondContact NH2-OE1 3.45Å; E138-S148 CarbonylContact O-C 3.58Å; E138-S148 WeakPolarHBondContact O-CA 3.13Å; E138-V149 HydrophobicContact CB-CB 4.39Å; E138-V149 PolarHBondContact N-O 3.41Å; E138-V149 PolarHBondContact O-N 3.28Å |
| 139 | I | 93.6 | Very high | 92.5 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 46% | 0.462 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128.2 | -176.5 | -57.9 | 165.3 | 0 | 0 | 0 | 107.6 | M120 T146 R147 | M120-I139 HydrophobicContact SD-CD1 3.55Å; M120-I139 VanDerWaalsContact SD-CD1 3.55Å; M120-I139 HydrophobicContact SD-CG1 4.48Å; I139-T146 HydrophobicContact CG2-CG2 3.65Å; I139-R147 WeakPolarHBondContact CA-O 3.36Å |
| 140 | A | 92.6 | Very high | 92.5 | Very high | 18 Ų | 18 | 54.9 Ų | 54.9 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | A78 P80 T146 R147 | A78-A140 WeakPolarHBondContact O-CB 3.47Å; P80-A140 WeakPolarHBondContact CG-O 3.3Å; A140-T146 CarbonylContact O-C 3.53Å; A140-T146 WeakPolarHBondContact O-CA 3.39Å; A140-R147 PolarHBondContact N-O 3.46Å; A140-R147 PolarHBondContact O-N 2.9Å |
| 141 | T | 93 | Very high | 92.5 | Very high | 73 Ų | 73 | 55.4 Ų | 55.4 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.9 | 175.4 | -60.6 | 0 | 0 | 0 | 0 | 109.2 | D115 R145 T146 | D115-T141 HydrophobicContact CB-CG2 4.2Å; T141-R145 CarbonylContact C-O 3.47Å; T141-R145 WeakPolarHBondContact CA-O 3.32Å; T141-T146 PolarHBondContact OG1-OG1 2.85Å |
| 142 | V | 91.4 | Very high | 92.7 | Very high | 87 Ų | 87 | 52.1 Ų | 52.1 | 53% | 0.527 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 129.6 | -179.5 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | P80 G144 R145 | P80-V142 HydrophobicContact CG-CB 4.12Å; P80-V142 HydrophobicContact CG-CG2 4.22Å; V142-G144 PolarHBondContact O-N 2.78Å; V142-R145 PolarHBondContact N-O 2.85Å; V142-R145 PolarHBondContact O-N 3.01Å |
| 143 | G | 89.4 | Confident | 92.7 | Very high | 83 Ų | 83 | 53.3 Ų | 53.3 | 86% | 0.856 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 31.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R145 | G143-R145 VanDerWaalsContact C-N 3.3Å; G143-R145 PolarHBondContact O-N 2.84Å |
| 144 | G | 92.1 | Very high | 92.4 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 16.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A114 D115 V142 | A114-G144 WeakPolarHBondContact CA-O 3.33Å; D115-G144 PolarHBondContact N-O 2.87Å; V142-G144 PolarHBondContact O-N 2.78Å |
| 145 | R | 93.1 | Very high | 91.6 | Very high | 46 Ų | 46 | 45.3 Ų | 45.3 | 17% | 0.174 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 144 | 170.5 | -49.8 | -160.3 | 91.5 | -136.9 | 5.2 | 110 | P80 G81 E82 G83 D84 C113 T141 V142 G143 | P80-R145 HydrophobicContact CB-CB 3.92Å; P80-R145 WeakPolarHBondContact CG-O 3.4Å; G81-R145 PolarHBondContact O-NH1 3.44Å; E82-R145 PolarHBondContact O-NH1 3.43Å; E82-R145 PolarHBondContact O-NH2 3.47Å; G83-R145 VanDerWaalsContact C-NH1 3.26Å; G83-R145 VanDerWaalsContact N-NH1 3.11Å; G83-R145 PolarHBondContact O-NH1 2.87Å; G83-R145 PolarHBondContact O-NH2 2.84Å; D84-R145 IonicContact OD1-CZ 2.74Å; D84-R145 IonicContact OD1-NH2 3.76Å; D84-R145 PolarHBondContact OD1-NH2 3.27Å; C113-R145 CarbonylContact O-C 3.53Å; C113-R145 VanDerWaalsContact O-CA 3.24Å; C113-R145 WeakPolarHBondContact O-CA 3.3Å; C113-R145 WeakPolarHBondContact O-CB 3.06Å; T141-R145 CarbonylContact C-O 3.47Å; T141-R145 WeakPolarHBondContact CA-O 3.32Å; V142-R145 PolarHBondContact N-O 2.85Å; V142-R145 PolarHBondContact O-N 3.01Å; G143-R145 VanDerWaalsContact C-N 3.3Å; G143-R145 PolarHBondContact O-N 2.84Å |
| 146 | T | 93.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.3 | -179.7 | -61.5 | 0 | 0 | 0 | 0 | 109.8 | C112 C113 D115 L119 M120 I139 A140 T141 | C112-T146 WeakPolarHBondContact CA-O 3.32Å; C113-T146 PolarHBondContact N-O 3.46Å; C113-T146 PolarHBondContact O-N 3.39Å; D115-T146 VanDerWaalsContact CB-OG1 3.26Å; D115-T146 WeakPolarHBondContact CB-OG1 3.44Å; D115-T146 VanDerWaalsContact CG-OG1 3.27Å; D115-T146 PolarHBondContact OD1-OG1 2.89Å; L119-T146 HydrophobicContact CD2-CG2 4.1Å; M120-T146 HydrophobicContact CE-CG2 3.99Å; I139-T146 HydrophobicContact CG2-CG2 3.65Å; A140-T146 CarbonylContact O-C 3.53Å; A140-T146 WeakPolarHBondContact O-CA 3.39Å; T141-T146 PolarHBondContact OG1-OG1 2.85Å |
| 147 | R | 93.6 | Very high | 88.3 | Confident | 60 Ų | 60 | 50.1 Ų | 50.1 | 23% | 0.226 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.8 | 169.4 | -175.8 | 173.6 | -173.7 | 178.3 | 4.4 | 109 | A78 V79 P80 V111 C112 I139 A140 | A78-R147 HydrophobicContact CB-CG 4.19Å; V79-R147 WeakPolarHBondContact O-CD 3.34Å; V79-R147 PolarHBondContact O-NH1 2.9Å; P80-R147 HydrophobicContact CB-CB 4.1Å; P80-R147 HydrophobicContact CG-CB 3.98Å; V111-R147 CarbonylContact O-C 3.52Å; V111-R147 VanDerWaalsContact O-CA 3.29Å; V111-R147 WeakPolarHBondContact O-CA 3.46Å; C112-R147 HydrophobicContact CB-CB 4.37Å; C112-R147 HydrophobicContact CB-CG 4.27Å; I139-R147 WeakPolarHBondContact CA-O 3.36Å; A140-R147 PolarHBondContact N-O 3.46Å; A140-R147 PolarHBondContact O-N 2.9Å |
| 148 | S | 93.9 | Very high | 86 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118 | 176.9 | -56 | 0 | 0 | 0 | 0 | 108.8 | W110 V111 E138 | W110-S148 CarbonylContact C-O 3.57Å; W110-S148 WeakPolarHBondContact CA-O 3.34Å; V111-S148 PolarHBondContact N-O 2.91Å; V111-S148 PolarHBondContact O-N 3.17Å; E138-S148 CarbonylContact O-C 3.58Å; E138-S148 WeakPolarHBondContact O-CA 3.13Å |
| 149 | V | 94 | Very high | 83.6 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.3 | 171 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | A78 R108 A109 W110 A137 E138 | A78-V149 HydrophobicContact CB-CG2 3.63Å; R108-V149 HydrophobicContact CG-CG1 4.26Å; A109-V149 CarbonylContact O-C 3.52Å; A109-V149 WeakPolarHBondContact O-CA 3.26Å; W110-V149 HydrophobicContact CB-CG2 4.08Å; A137-V149 CarbonylContact C-O 3.56Å; A137-V149 WeakPolarHBondContact CA-O 3.24Å; E138-V149 HydrophobicContact CB-CB 4.39Å; E138-V149 PolarHBondContact N-O 3.41Å; E138-V149 PolarHBondContact O-N 3.28Å |
| 150 | L | 93.8 | Very high | 81.6 | Confident | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.2 | -172.8 | -52.6 | 177.9 | 0 | 0 | 0 | 109.4 | R108 A109 V127 A137 L152 | R108-L150 CarbonylContact C-O 3.58Å; R108-L150 WeakPolarHBondContact CA-O 3.4Å; A109-L150 PolarHBondContact N-O 2.8Å; A109-L150 PolarHBondContact O-N 2.87Å; V127-L150 HydrophobicContact CG2-CD1 3.97Å; A137-L150 HydrophobicContact CB-CD2 3.57Å; L150-L152 HydrophobicContact CB-CD2 3.83Å; L150-L152 HydrophobicContact CB-CG 4.07Å; L150-L152 HydrophobicContact CD1-CD2 4.45Å |
| 151 | E | 93.1 | Very high | 79.3 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 21% | 0.21 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 126.7 | 158.4 | -63.8 | -178.1 | -152.7 | 0 | 0 | 108.1 | R106 A134 V135 R136 | R106-E151 IonicContact CZ-OE2 2.69Å; R106-E151 IonicContact NH1-OE2 2.87Å; R106-E151 PolarHBondContact NH1-OE2 2.94Å; A134-E151 WeakPolarHBondContact CA-O 3.36Å; V135-E151 HydrophobicContact CG2-CB 3.66Å; V135-E151 WeakPolarHBondContact CG2-O 3.39Å; V135-E151 PolarHBondContact N-O 3Å; R136-E151 HydrophobicContact CB-CB 4Å; R136-E151 HydrophobicContact CB-CG 4.19Å; R136-E151 WeakPolarHBondContact CD-OE1 3.07Å; R136-E151 PolarHBondContact N-O 2.98Å; R136-E151 IonicContact NH1-OE1 3.27Å; R136-E151 PolarHBondContact NH1-OE1 3.32Å; R136-E151 PolarHBondContact O-N 3.41Å |
| 152 | L | 92.5 | Very high | 77.1 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136.8 | -174.6 | -54 | 178.8 | 0 | 0 | 0 | 110.1 | R106 V107 A109 V127 A132 R133 A134 L150 L172 | R106-L152 CarbonylContact C-O 3.58Å; R106-L152 WeakPolarHBondContact CA-O 3.31Å; V107-L152 PolarHBondContact N-O 2.89Å; V107-L152 PolarHBondContact O-N 3.32Å; A109-L152 HydrophobicContact CB-CD1 4.35Å; V127-L152 HydrophobicContact CG1-CD1 4.37Å; V127-L152 HydrophobicContact CG1-CD2 3.76Å; V127-L152 HydrophobicContact CG2-CD1 4.13Å; V127-L152 HydrophobicContact CG2-CD2 4.08Å; A132-L152 HydrophobicContact CB-CB 4.4Å; A132-L152 HydrophobicContact CB-CD1 4.4Å; R133-L152 CarbonylContact O-C 3.48Å; R133-L152 VanDerWaalsContact O-CA 3.3Å; R133-L152 WeakPolarHBondContact O-CA 3.41Å; A134-L152 VanDerWaalsContact CA-CD2 3.49Å; A134-L152 HydrophobicContact CB-CD2 3.63Å; L150-L152 HydrophobicContact CB-CD2 3.83Å; L150-L152 HydrophobicContact CB-CG 4.07Å; L150-L152 HydrophobicContact CD1-CD2 4.45Å; L152-L172 HydrophobicContact CD1-CD1 3.64Å; L152-L172 HydrophobicContact CD1-CD2 3.65Å; L152-L172 HydrophobicContact CD1-CG 4.28Å |
| 153 | D | 90.9 | Very high | 75 | Confident | 33 Ų | 33 | 68.3 Ų | 68.3 | 18% | 0.176 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.5 | 163.3 | -74.4 | -10.7 | 0 | 0 | 0 | 108 | A104 R105 R106 A132 R133 V135 | A104-D153 HydrophobicContact CB-CB 3.98Å; R105-D153 WeakPolarHBondContact O-CA 3.22Å; R106-D153 IonicContact CZ-OD1 3.34Å; R106-D153 IonicContact NE-OD1 3.83Å; R106-D153 PolarHBondContact NE-OD1 3.21Å; R106-D153 IonicContact NH2-OD1 3.36Å; R106-D153 PolarHBondContact NH2-OD1 3.39Å; R106-D153 IonicContact NH2-OD2 3.78Å; A132-D153 CarbonylContact C-O 3.53Å; A132-D153 WeakPolarHBondContact CA-O 3.34Å; R133-D153 PolarHBondContact N-O 3.36Å; R133-D153 PolarHBondContact O-N 2.91Å; V135-D153 HydrophobicContact CG1-CB 4.23Å; V135-D153 VanDerWaalsContact CG1-OD2 3.27Å; V135-D153 WeakPolarHBondContact CG1-OD2 3.19Å |
| 154 | V | 85.9 | Confident | 73.1 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 116.9 | 175.7 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | R105 V107 A132 G156 | R105-V154 PolarHBondContact N-O 2.64Å; R105-V154 PolarHBondContact O-N 2.93Å; V107-V154 HydrophobicContact CB-CG2 4.35Å; V107-V154 HydrophobicContact CG2-CG2 3.81Å; A132-V154 HydrophobicContact CB-CG2 4.07Å; V154-G156 PolarHBondContact O-N 3.42Å |
| 155 | G | 74.8 | Confident | 71.3 | Confident | 45 Ų | 45 | 71.8 Ų | 71.8 | 46% | 0.464 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 118 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | R157 | G155-R157 PolarHBondContact O-N 2.87Š|
| 156 | G | 61.7 | Low | 69.5 | Low | 59 Ų | 59 | 73.5 Ų | 73.5 | 61% | 0.608 | 42% | 0.417 | S | S | * | . | trans | -70.7 | 106.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | R102 V154 H158 | R102-G156 PolarHBondContact NH1-O 3.24Å; V154-G156 PolarHBondContact O-N 3.42Å; G156-H158 PolarHBondContact O-N 3.38Å | ||
| 157 | R | 54.2 | Low | 68.2 | Low | 222 Ų | 222 | 77.8 Ų | 77.8 | 84% | 0.838 | 45% | 0.447 | S | S | * | . | trans | -59.1 | 132.1 | 161 | -81 | 179 | 159.8 | 174.5 | -5.7 | 107.4 | G155 H159 | G155-R157 PolarHBondContact O-N 2.87Å; R157-H159 PolarHBondContact O-N 3.49Å; R157-H159 VanDerWaalsContact O-N 3.15Å | ||
| 158 | H | 44.6 | Very low | 67.3 | Low | 125 Ų | 125 | 76.1 Ų | 76.1 | 58% | 0.579 | 45% | 0.445 | S | S | * | . | trans | -40.2 | 120.1 | 174.3 | -90.5 | -96.8 | 0 | 0 | 0 | 110.6 | R102 G156 D160 | R102-H158 VanDerWaalsContact CZ-CE1 3.42Å; R102-H158 PolarHBondContact NE-NE2 2.95Å; R102-H158 VanDerWaalsContact NE-NE2 3.17Å; R102-H158 PolarHBondContact NH1-CD2 2.81Å; R102-H158 PolarHBondContact NH2-CD2 3.01Å; R102-H158 PolarHBondContact NH2-CE1 3.24Å; R102-H158 PolarHBondContact NH2-ND1 2.93Å; R102-H158 PolarHBondContact NH2-NE2 3.39Å; G156-H158 PolarHBondContact O-N 3.38Å; H158-D160 IonicContact ND1-OD1 4Å | ||
| 159 | H | 44.4 | Very low | 66.9 | Low | 172 Ų | 172 | 80.6 Ų | 80.6 | 80% | 0.796 | 46% | 0.462 | S | S | * | . | trans | -135.4 | 113.1 | 147 | -158.6 | 31.5 | 0 | 0 | 0 | 107.2 | R157 G161 | R157-H159 PolarHBondContact O-N 3.49Å; R157-H159 VanDerWaalsContact O-N 3.15Å; H159-G161 PolarHBondContact O-N 2.74Å | ||
| 160 | D | 51 | Low | 66.7 | Low | 150 Ų | 150 | 83.7 Ų | 83.7 | 80% | 0.802 | 48% | 0.482 | S | S | * | . | trans | -74.8 | 57.1 | 176.7 | -59.9 | -52.1 | 0 | 0 | 0 | 110.2 | H158 | H158-D160 IonicContact ND1-OD1 4Š| ||
| 161 | G | 44.9 | Very low | 66.6 | Low | 42 Ų | 42 | 85.3 Ų | 85.3 | 43% | 0.433 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -142 | 135.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | H159 G163 | H159-G161 PolarHBondContact O-N 2.74Å; G161-G163 PolarHBondContact O-N 2.82Å |
| 162 | E | 46.2 | Very low | 66.6 | Low | 209 Ų | 209 | 83.3 Ų | 83.3 | 98% | 0.977 | 49% | 0.488 | S | S | * | . | trans | -67 | 38.5 | 178.7 | -164 | 163.2 | 165.8 | 0 | 0 | 112.9 | ||||
| 163 | G | 47.3 | Very low | 66.7 | Low | 60 Ų | 60 | 85 Ų | 85 | 62% | 0.619 | 50% | 0.496 | S | S | * | . | trans | -86.3 | 111.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | G161 S165 | G161-G163 PolarHBondContact O-N 2.82Å; G163-S165 PolarHBondContact O-N 2.79Å | ||
| 164 | T | 48.6 | Very low | 66.9 | Low | 110 Ų | 110 | 86 Ų | 86 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | trans | -35.8 | 124.5 | 178.5 | -43.7 | 0 | 0 | 0 | 0 | 112.5 | T166 | T164-T166 HydrophobicContact CG2-CG2 3.69Å; T164-T166 PolarHBondContact O-N 3.49Å; T164-T166 PolarHBondContact O-OG1 3.07Å | ||
| 165 | S | 54.2 | Low | 67.3 | Low | 93 Ų | 93 | 86.1 Ų | 86.1 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -63.5 | 22.5 | -177.2 | -39.9 | 0 | 0 | 0 | 0 | 115.7 | R105 G163 S167 | R105-S165 PolarHBondContact NH1-O 2.74Å; G163-S165 PolarHBondContact O-N 2.79Å; S165-S167 VanDerWaalsContact C-N 3.3Å; S165-S167 PolarHBondContact O-N 2.79Å |
| 166 | T | 56.8 | Low | 68.3 | Low | 81 Ų | 81 | 84 Ų | 84 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -76.3 | -7.7 | -179.2 | 44.6 | 0 | 0 | 0 | 0 | 114 | T164 S168 P170 | T164-T166 HydrophobicContact CG2-CG2 3.69Å; T164-T166 PolarHBondContact O-N 3.49Å; T164-T166 PolarHBondContact O-OG1 3.07Å; T166-S168 PolarHBondContact O-N 3.15Å; T166-P170 WeakPolarHBondContact O-CD 3.37Å |
| 167 | S | 65.2 | Low | 69.9 | Low | 91 Ų | 91 | 86.6 Ų | 86.6 | 64% | 0.636 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -70.9 | -24.4 | -171 | 60.3 | 0 | 0 | 0 | 0 | 114.9 | S165 P170 | S165-S167 VanDerWaalsContact C-N 3.3Å; S165-S167 PolarHBondContact O-N 2.79Å; S167-P170 WeakPolarHBondContact O-CD 3.37Å; S167-P170 WeakPolarHBondContact O-CG 3.11Å |
| 168 | S | 75.9 | Confident | 71.8 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 18% | 0.175 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -77.8 | -34.4 | -175.5 | 63.9 | 0 | 0 | 0 | 0 | 114.1 | T166 A171 L172 | T166-S168 PolarHBondContact O-N 3.15Å; S168-A171 PolarHBondContact O-N 3.17Å; S168-L172 VanDerWaalsContact O-CB 3.31Å; S168-L172 WeakPolarHBondContact O-CB 3.5Å; S168-L172 PolarHBondContact O-N 3.01Å |
| 169 | R | 85.4 | Confident | 74.1 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 36% | 0.362 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59 | -52.3 | 178.1 | 170 | 178.7 | 178.6 | 135.9 | 3.6 | 113.9 | V88 E90 A171 L172 Q173 | V88-R169 HydrophobicContact CB-CG 4.17Å; V88-R169 HydrophobicContact CG1-CB 4.39Å; V88-R169 HydrophobicContact CG1-CG 3.96Å; V88-R169 PolarHBondContact O-NH1 3.39Å; V88-R169 PolarHBondContact O-NH2 3.45Å; E90-R169 HydrophobicContact CG-CB 4.19Å; E90-R169 WeakPolarHBondContact OE1-CB 3.4Å; R169-A171 VanDerWaalsContact C-N 3.3Å; R169-A171 PolarHBondContact O-N 2.74Å; R169-L172 PolarHBondContact O-N 3.18Å; R169-Q173 VanDerWaalsContact O-CB 3.24Å; R169-Q173 WeakPolarHBondContact O-CB 3.4Å; R169-Q173 PolarHBondContact O-N 2.84Å |
| 170 | P | 90.1 | Very high | 76.3 | Confident | 73 Ų | 73 | 65.9 Ų | 65.9 | 47% | 0.474 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | -179.9 | 24.6 | -33.4 | 0 | 0 | 0 | 111.7 | T166 S167 Q173 A174 | T166-P170 WeakPolarHBondContact O-CD 3.37Å; S167-P170 WeakPolarHBondContact O-CD 3.37Å; S167-P170 WeakPolarHBondContact O-CG 3.11Å; P170-Q173 PolarHBondContact O-N 2.71Å; P170-A174 VanDerWaalsContact O-CB 3.23Å; P170-A174 WeakPolarHBondContact O-CB 3.38Å; P170-A174 PolarHBondContact O-N 3.24Å |
| 171 | A | 92.1 | Very high | 77.9 | Confident | 47 Ų | 47 | 64 Ų | 64 | 39% | 0.388 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V130 S168 R169 A174 A175 | V130-A171 HydrophobicContact CG1-CB 4.13Å; S168-A171 PolarHBondContact O-N 3.17Å; R169-A171 VanDerWaalsContact C-N 3.3Å; R169-A171 PolarHBondContact O-N 2.74Å; A171-A174 PolarHBondContact O-N 2.67Å; A171-A175 WeakPolarHBondContact O-CB 3.3Å; A171-A175 PolarHBondContact O-N 3.29Å |
| 172 | L | 92.7 | Very high | 79.3 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 176.1 | 175.7 | 63.7 | 0 | 0 | 0 | 111.5 | V88 V107 A109 V130 L152 S168 R169 A174 A175 L176 | V88-L172 HydrophobicContact CG1-CD2 3.87Å; V88-L172 HydrophobicContact CG2-CD2 4.18Å; V88-L172 HydrophobicContact CG2-CG 4.18Å; V107-L172 HydrophobicContact CG1-CD2 3.84Å; A109-L172 HydrophobicContact CB-CD2 4.29Å; V130-L172 HydrophobicContact CG2-CB 4.31Å; V130-L172 HydrophobicContact CG2-CD1 3.81Å; L152-L172 HydrophobicContact CD1-CD1 3.64Å; L152-L172 HydrophobicContact CD1-CD2 3.65Å; L152-L172 HydrophobicContact CD1-CG 4.28Å; S168-L172 VanDerWaalsContact O-CB 3.31Å; S168-L172 WeakPolarHBondContact O-CB 3.5Å; S168-L172 PolarHBondContact O-N 3.01Å; R169-L172 PolarHBondContact O-N 3.18Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 3.15Å; L172-A175 PolarHBondContact O-N 2.86Å; L172-L176 HydrophobicContact CD1-CD1 4.04Å; L172-L176 HydrophobicContact CD1-CG 4.15Å; L172-L176 HydrophobicContact CG-CD1 4.16Å; L172-L176 WeakPolarHBondContact O-CG 3.22Å; L172-L176 PolarHBondContact O-N 2.84Å |
| 173 | Q | 94.1 | Very high | 80.2 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 16% | 0.164 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 178.9 | -162.7 | -179.6 | 27.3 | 0 | 0 | 111.5 | V86 V88 R169 P170 R177 | V86-Q173 HydrophobicContact CG1-CG 4.21Å; V88-Q173 HydrophobicContact CG2-CB 3.82Å; V88-Q173 HydrophobicContact CG2-CG 4.08Å; R169-Q173 VanDerWaalsContact O-CB 3.24Å; R169-Q173 WeakPolarHBondContact O-CB 3.4Å; R169-Q173 PolarHBondContact O-N 2.84Å; P170-Q173 PolarHBondContact O-N 2.71Å; Q173-R177 VanDerWaalsContact CD-NH2 3.3Å; Q173-R177 VanDerWaalsContact CG-NH1 3.3Å; Q173-R177 WeakPolarHBondContact O-CB 3.33Å; Q173-R177 VanDerWaalsContact O-CG 3.27Å; Q173-R177 WeakPolarHBondContact O-CG 3.46Å; Q173-R177 PolarHBondContact O-N 2.62Å |
| 174 | A | 94.7 | Very high | 80.6 | Confident | 55 Ų | 55 | 61.9 Ų | 61.9 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | P170 A171 L172 L176 R177 A178 | P170-A174 VanDerWaalsContact O-CB 3.23Å; P170-A174 WeakPolarHBondContact O-CB 3.38Å; P170-A174 PolarHBondContact O-N 3.24Å; A171-A174 PolarHBondContact O-N 2.67Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 3.15Å; A174-L176 VanDerWaalsContact C-N 3.35Å; A174-L176 PolarHBondContact O-N 3.22Å; A174-R177 PolarHBondContact O-N 3.23Å; A174-A178 PolarHBondContact O-N 2.8Å |
| 175 | A | 95.1 | Very high | 80.9 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 12% | 0.124 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A126 V130 A171 L172 A178 | A126-A175 HydrophobicContact CB-CB 4.15Å; A126-A175 WeakPolarHBondContact CB-O 3.27Å; V130-A175 HydrophobicContact CG1-CB 3.94Å; A171-A175 WeakPolarHBondContact O-CB 3.3Å; A171-A175 PolarHBondContact O-N 3.29Å; L172-A175 PolarHBondContact O-N 2.86Å; A175-A178 WeakPolarHBondContact O-CB 3.33Å; A175-A178 PolarHBondContact O-N 3.37Å |
| 176 | L | 95.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.4 | -38.6 | 176.3 | -67.1 | 176.6 | 0 | 0 | 0 | 112.3 | V86 A109 V111 L123 A126 V127 L172 A174 A178 V179 | V86-L176 HydrophobicContact CG1-CB 3.72Å; V86-L176 HydrophobicContact CG1-CD1 4.39Å; A109-L176 HydrophobicContact CB-CD1 3.76Å; V111-L176 HydrophobicContact CG2-CB 3.96Å; V111-L176 HydrophobicContact CG2-CD1 4.01Å; V111-L176 HydrophobicContact CG2-CD2 3.98Å; V111-L176 HydrophobicContact CG2-CG 4.2Å; L123-L176 HydrophobicContact CD2-CD2 4.03Å; A126-L176 HydrophobicContact CB-CD2 4.2Å; V127-L176 HydrophobicContact CG2-CD2 4.4Å; L172-L176 HydrophobicContact CD1-CD1 4.04Å; L172-L176 HydrophobicContact CD1-CG 4.15Å; L172-L176 HydrophobicContact CG-CD1 4.16Å; L172-L176 WeakPolarHBondContact O-CG 3.22Å; L172-L176 PolarHBondContact O-N 2.84Å; A174-L176 VanDerWaalsContact C-N 3.35Å; A174-L176 PolarHBondContact O-N 3.22Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 2.78Å; L176-V179 WeakPolarHBondContact O-CB 3.02Å; L176-V179 PolarHBondContact O-N 2.84Å; L176-V179 VanDerWaalsContact O-N 3.15Å |
| 177 | R | 94.9 | Very high | 80.5 | Confident | 114 Ų | 114 | 63.7 Ų | 63.7 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -35.4 | 172.8 | -78.6 | 178.7 | 179.6 | 130.2 | -4.2 | 112.5 | V86 Q173 A174 V179 L180 L181 | V86-R177 HydrophobicContact CB-CG 4.04Å; V86-R177 HydrophobicContact CG1-CG 4.22Å; V86-R177 HydrophobicContact CG2-CG 4.18Å; Q173-R177 VanDerWaalsContact CD-NH2 3.3Å; Q173-R177 VanDerWaalsContact CG-NH1 3.3Å; Q173-R177 WeakPolarHBondContact O-CB 3.33Å; Q173-R177 VanDerWaalsContact O-CG 3.27Å; Q173-R177 WeakPolarHBondContact O-CG 3.46Å; Q173-R177 PolarHBondContact O-N 2.62Å; A174-R177 PolarHBondContact O-N 3.23Å; R177-V179 PolarHBondContact O-N 3.22Å; R177-L180 WeakPolarHBondContact O-CB 3.39Å; R177-L180 PolarHBondContact O-N 2.73Å; R177-L181 PolarHBondContact O-N 3.32Å; R177-L181 VanDerWaalsContact O-N 3.15Å |
| 178 | A | 94.1 | Very high | 79.7 | Confident | 53 Ų | 53 | 62.9 Ų | 62.9 | 44% | 0.438 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.6 | -29.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | A174 A175 L176 L180 L181 S182 | A174-A178 PolarHBondContact O-N 2.8Å; A175-A178 WeakPolarHBondContact O-CB 3.33Å; A175-A178 PolarHBondContact O-N 3.37Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 2.78Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 PolarHBondContact O-N 2.82Å; A178-L181 PolarHBondContact O-N 3.42Å; A178-S182 PolarHBondContact O-N 2.82Å; A178-S182 PolarHBondContact O-OG 3.15Å |
| 179 | V | 92.9 | Very high | 78.5 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64 | -36.1 | 172.9 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | R116 L119 E122 L123 A126 L176 R177 S182 | R116-V179 PolarHBondContact NH2-O 2.94Å; L119-V179 HydrophobicContact CD1-CG1 3.83Å; E122-V179 HydrophobicContact CB-CG1 3.88Å; E122-V179 HydrophobicContact CB-CG2 4.28Å; L123-V179 HydrophobicContact CD2-CB 4.46Å; L123-V179 HydrophobicContact CD2-CG1 4.12Å; L123-V179 HydrophobicContact CD2-CG2 4.36Å; L123-V179 HydrophobicContact CG-CG1 4.36Å; A126-V179 HydrophobicContact CB-CG2 3.71Å; L176-V179 WeakPolarHBondContact O-CB 3.02Å; L176-V179 PolarHBondContact O-N 2.84Å; L176-V179 VanDerWaalsContact O-N 3.15Å; R177-V179 PolarHBondContact O-N 3.22Å; V179-S182 PolarHBondContact O-OG 3.18Å |
| 180 | L | 90.8 | Very high | 76.6 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 174.2 | -59.1 | -173.5 | 0 | 0 | 0 | 112.4 | D84 V86 V111 C113 R177 A178 R183 | D84-L180 HydrophobicContact CB-CD1 4.07Å; V86-L180 HydrophobicContact CG2-CD1 3.47Å; V86-L180 VanDerWaalsContact CG2-CD1 3.47Å; V86-L180 HydrophobicContact CG2-CG 3.96Å; V111-L180 HydrophobicContact CG1-CD2 3.93Å; C113-L180 HydrophobicContact CB-CD2 3.35Å; R177-L180 WeakPolarHBondContact O-CB 3.39Å; R177-L180 PolarHBondContact O-N 2.73Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 PolarHBondContact O-N 2.82Å; L180-R183 WeakPolarHBondContact O-CB 3.24Å; L180-R183 PolarHBondContact O-N 3.01Å |
| 181 | L | 85.3 | Confident | 74.5 | Confident | 109 Ų | 109 | 68.6 Ų | 68.6 | 57% | 0.571 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -77.7 | -31.3 | -176.3 | -64 | 174.8 | 0 | 0 | 0 | 113.1 | R177 A178 R183 E184 | R177-L181 PolarHBondContact O-N 3.32Å; R177-L181 VanDerWaalsContact O-N 3.15Å; A178-L181 PolarHBondContact O-N 3.42Å; L181-R183 PolarHBondContact O-N 3.13Å; L181-E184 PolarHBondContact O-N 2.86Å |
| 182 | S | 73.4 | Confident | 72.1 | Confident | 41 Ų | 41 | 76.8 Ų | 76.8 | 29% | 0.287 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.5 | -12.5 | 173.1 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | R116 A178 V179 | R116-S182 PolarHBondContact NH2-OG 3.4Å; A178-S182 PolarHBondContact O-N 2.82Å; A178-S182 PolarHBondContact O-OG 3.15Å; V179-S182 PolarHBondContact O-OG 3.18Å |
| 183 | R | 65.3 | Low | 69.3 | Low | 79 Ų | 79 | 86.1 Ų | 86.1 | 30% | 0.298 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 170.5 | -178.3 | -175.9 | 171 | -175.9 | -2.7 | 113.6 | D84 L180 L181 E185 M186 L187 | D84-R183 IonicContact OD1-NH1 2.67Å; D84-R183 PolarHBondContact OD1-NH1 3.43Å; D84-R183 IonicContact OD2-CZ 3.35Å; D84-R183 IonicContact OD2-NH1 3.85Å; D84-R183 PolarHBondContact OD2-NH1 3.37Å; L180-R183 WeakPolarHBondContact O-CB 3.24Å; L180-R183 PolarHBondContact O-N 3.01Å; L181-R183 PolarHBondContact O-N 3.13Å; R183-E185 VanDerWaalsContact C-N 3.27Å; R183-E185 PolarHBondContact O-N 3.34Å; R183-M186 PolarHBondContact O-N 3.36Å; R183-L187 HydrophobicContact CG-CD1 3.62Å; R183-L187 HydrophobicContact CG-CG 4.08Å; R183-L187 PolarHBondContact O-N 3.27Å; R183-L187 VanDerWaalsContact O-N 3.09Å |
| 184 | E | 56.6 | Low | 66.6 | Low | 148 Ų | 148 | 96 Ų | 96 | 69% | 0.692 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.1 | -32 | -169.4 | -66.1 | -167.5 | 153 | 0 | 0 | 111.8 | L181 M186 G188 | L181-E184 PolarHBondContact O-N 2.86Å; E184-M186 VanDerWaalsContact C-N 3.33Å; E184-M186 PolarHBondContact O-N 2.87Å; E184-G188 PolarHBondContact O-N 2.86Å |
| 185 | E | 53.5 | Low | 63.6 | Low | 178 Ų | 178 | 102 Ų | 102 | 83% | 0.832 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.5 | -27.9 | 177.5 | -65.5 | -178.7 | 167.1 | 0 | 0 | 112.8 | R183 | R183-E185 VanDerWaalsContact C-N 3.27Å; R183-E185 PolarHBondContact O-N 3.34Å |
| 186 | M | 49.8 | Very low | 60.8 | Low | 80 Ų | 80 | 112.4 Ų | 112.4 | 39% | 0.394 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -94 | -37 | -174.7 | -146.5 | -79.4 | -72.8 | 0 | 0 | 112.6 | R183 E184 G188 A189 | R183-M186 PolarHBondContact O-N 3.36Å; E184-M186 VanDerWaalsContact C-N 3.33Å; E184-M186 PolarHBondContact O-N 2.87Å; M186-G188 VanDerWaalsContact C-N 3.29Å; M186-G188 PolarHBondContact O-N 2.98Å; M186-A189 WeakPolarHBondContact O-CB 3.41Å; M186-A189 PolarHBondContact O-N 3.17Å; M186-A189 VanDerWaalsContact O-N 3.09Å |
| 187 | L | 52.3 | Low | 57.8 | Low | 64 Ų | 64 | 122.6 Ų | 122.6 | 34% | 0.335 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.2 | -20.5 | 176.5 | -67.5 | -176.8 | 0 | 0 | 0 | 113.6 | R183 A189 | R183-L187 HydrophobicContact CG-CD1 3.62Å; R183-L187 HydrophobicContact CG-CG 4.08Å; R183-L187 PolarHBondContact O-N 3.27Å; R183-L187 VanDerWaalsContact O-N 3.09Å; L187-A189 PolarHBondContact O-N 3.18Å |
| 188 | G | 50.2 | Low | 55 | Low | 73 Ų | 73 | 122 Ų | 122 | 75% | 0.753 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.2 | -24.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113 | E184 M186 | E184-G188 PolarHBondContact O-N 2.86Å; M186-G188 VanDerWaalsContact C-N 3.29Å; M186-G188 PolarHBondContact O-N 2.98Å |
| 189 | A | 49 | Very low | 52.2 | Low | 80 Ų | 80 | 124 Ų | 124 | 66% | 0.661 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -90 | -34 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | M186 L187 | M186-A189 WeakPolarHBondContact O-CB 3.41Å; M186-A189 PolarHBondContact O-N 3.17Å; M186-A189 VanDerWaalsContact O-N 3.09Å; L187-A189 PolarHBondContact O-N 3.18Å |
| 190 | E | 47.2 | Very low | 49.3 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -123.8 | -4.6 | -164.9 | -65.3 | -150.7 | 137.9 | 0 | 0 | 119.2 | ||
| 191 | C | 45 | Very low | 46.6 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 50% | 0.5 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -105.8 | 2.9 | -173 | 78.2 | 0 | 0 | 0 | 0 | 119.4 | ||
| 192 | Y | 42.7 | Very low | 44.1 | Very low | 219 Ų | 219 | 136.8 Ų | 136.8 | 86% | 0.859 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -112.1 | -1.6 | 178.7 | -74.9 | -78 | 0 | 0 | 0 | 117.4 | R194 | Y192-R194 PolarHBondContact O-N 3.14Š|
| 193 | K | 32.4 | Very low | 41.9 | Very low | 199 Ų | 199 | 146.2 Ų | 146.2 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -93.4 | 102.3 | 168.5 | -71.3 | -172 | -178 | 174.6 | 0 | 109.1 | Q195 | K193-Q195 PolarHBondContact O-N 2.85Š|
| 194 | R | 37.5 | Very low | 40.4 | Very low | 241 Ų | 241 | 148.8 Ų | 148.8 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | -43.9 | 104.5 | 164.5 | -67.8 | 171.4 | 88.6 | -165.4 | 7.7 | 108 | Y192 R196 | Y192-R194 PolarHBondContact O-N 3.14Å; R194-R196 PolarHBondContact O-N 2.9Å | ||
| 195 | Q | 32.3 | Very low | 38.9 | Very low | 183 Ų | 183 | 153 Ų | 153 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -62.1 | 105.1 | 174.5 | -166.1 | 167.6 | 5 | 0 | 0 | 106.5 | K193 F197 | K193-Q195 PolarHBondContact O-N 2.85Å; Q195-F197 PolarHBondContact O-N 3.47Å | ||
| 196 | R | 35.7 | Very low | 37.9 | Very low | 233 Ų | 233 | 150.9 Ų | 150.9 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -62.9 | 118 | 169.7 | -81.2 | 179.6 | 162.9 | 161.5 | -4.8 | 106.2 | R194 S198 | R194-R196 PolarHBondContact O-N 2.9Å; R196-S198 PolarHBondContact O-N 3.1Å | ||
| 197 | F | 33.1 | Very low | 37.1 | Very low | 213 Ų | 213 | 152.3 Ų | 152.3 | 93% | 0.934 | 77% | 0.77 | S | S | * | * | trans | -48.8 | 110.9 | 168.4 | -76.8 | -92.4 | 0 | 0 | 0 | 109.3 | Q195 | Q195-F197 PolarHBondContact O-N 3.47Š| ||
| 198 | S | 35 | Very low | 36.3 | Very low | 101 Ų | 101 | 152.8 Ų | 152.8 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -95.9 | 109.6 | 156.9 | 172.1 | 0 | 0 | 0 | 0 | 106 | R196 H200 | R196-S198 PolarHBondContact O-N 3.1Å; S198-H200 VanDerWaalsContact C-N 3.32Å; S198-H200 PolarHBondContact O-N 3.22Å | ||
| 199 | A | 36.3 | Very low | 35.5 | Very low | 97 Ų | 97 | 154 Ų | 154 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -61.1 | 94.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 200 | H | 32.4 | Very low | 35.1 | Very low | 161 Ų | 161 | 156.7 Ų | 156.7 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | trans | -128.1 | 61 | 160.9 | -117.8 | -72.2 | 0 | 0 | 0 | 108.5 | S198 A202 | S198-H200 VanDerWaalsContact C-N 3.32Å; S198-H200 PolarHBondContact O-N 3.22Å; H200-A202 PolarHBondContact O-N 3.25Å | ||
| 201 | L | 33.3 | Very low | 34.4 | Very low | 182 Ų | 182 | 157.5 Ų | 157.5 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | trans | -67.8 | 71.5 | 151.1 | -93.5 | 156.3 | 0 | 0 | 0 | 107.2 | R203 | L201-R203 PolarHBondContact O-N 2.94Š| ||
| 202 | A | 33.4 | Very low | 33.8 | Very low | 66 Ų | 66 | 160.8 Ų | 160.8 | 55% | 0.545 | 82% | 0.822 | S | S | . | * | trans | -86.2 | 104.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107 | H200 V204 | H200-A202 PolarHBondContact O-N 3.25Å; A202-V204 PolarHBondContact O-N 3.47Å | ||
| 203 | R | 27.7 | Very low | 33.6 | Very low | 239 Ų | 239 | 156.4 Ų | 156.4 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -40.5 | 118.4 | 160.9 | -71.3 | 168.7 | 166.6 | 158.5 | -5.8 | 109.9 | L201 | L201-R203 PolarHBondContact O-N 2.94Š| ||
| 204 | V | 32.4 | Very low | 34.2 | Very low | 132 Ų | 132 | 158.3 Ų | 158.3 | 80% | 0.8 | 84% | 0.839 | S | S | * | * | trans | -130.5 | 81 | 147.4 | -175.7 | 0 | 0 | 0 | 0 | 105.7 | A202 | A202-V204 PolarHBondContact O-N 3.47Š| ||
| 205 | Y | 25.8 | Very low | 34 | Very low | 237 Ų | 237 | 154.2 Ų | 154.2 | 93% | 0.929 | 84% | 0.835 | S | S | * | * | trans | -77.1 | 109 | 143.8 | -99.9 | -95.2 | 0 | 0 | 0 | 104.6 | ||||
| 206 | D | 31.6 | Very low | 34.1 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | trans | -154.4 | 113.2 | 142.6 | -152.9 | 10.8 | 0 | 0 | 0 | 110.8 | ||||
| 207 | S | 33.7 | Very low | 34 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | 23.9 | 110.7 | 138.6 | -36 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 208 | G | 36.2 | Very low | 34.1 | Very low | 74 Ų | 74 | 144.4 Ų | 144.4 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | -144.1 | 86.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 209 | A | 33.9 | Very low | 34 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -58 | 136.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 210 | V | 39.7 | Very low | 33.9 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 83% | 0.83 | 84% | 0.835 | S | S | * | * | trans | -123.1 | 115.1 | 161.9 | 169.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 211 | E | 32.3 | Very low | 34 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | trans | -66.4 | 139.5 | -176.3 | -65.6 | -178.9 | 120.2 | 0 | 0 | 111.5 | ||||
| 212 | V | 31.8 | Very low | 34.1 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -92.7 | 118.1 | 166.3 | 175.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 213 | T | 40 | Very low | 34.1 | Very low | 127 Ų | 127 | 154 Ų | 154 | 78% | 0.779 | 86% | 0.857 | S | S | * | * | trans | -106.4 | 131.7 | 165.9 | 47.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 214 | D | 44.4 | Very low | 34.7 | Very low | 240 Ų | 240 | 146.3 Ų | 146.3 | 100% | 1.283 | 85% | 0.853 | S | S | * | * | trans | -24.1 | 0 | -176 | -154.1 | -114.2 | 0 | 0 | 0 | 117.8 |
Retrieved 214 of 214 residues in 89.9 ms
(Link to these results)