| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.3 | Very low | 29.4 | Very low | 243 Ų | 243 | 145 Ų | 145 | 100% | 1.197 | 80% | 0.802 | S | S | * | * | 0 | 143.3 | 0 | -60.9 | 173.1 | -174.9 | 0 | 0 | 107.8 | |||||
| 2 | A | 30.9 | Very low | 29.2 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -63.2 | 142.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3 | Q | 32.4 | Very low | 29.2 | Very low | 166 Ų | 166 | 152.4 Ų | 152.4 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | cis | 72.8 | 134.1 | 46 | -67.2 | -168 | -5 | 0 | 0 | 114.5 | ||||
| 4 | M | 30.8 | Very low | 28.9 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 62% | 0.621 | 81% | 0.813 | S | S | * | * | cis | -161.7 | 137.4 | -21 | -125 | -159.9 | -56.9 | 0 | 0 | 113.2 | ||||
| 5 | R | 33.9 | Very low | 29 | Very low | 209 Ų | 209 | 146.5 Ų | 146.5 | 79% | 0.789 | 81% | 0.81 | S | S | * | * | trans | 38.1 | 139.3 | 132.6 | -72.2 | -179.5 | 179.6 | 144.4 | -6.1 | 124.3 | ||||
| 6 | K | 31.8 | Very low | 29.2 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 74% | 0.739 | 81% | 0.809 | S | S | * | * | 93.7 | 118.8 | 126.4 | -92.3 | -168.3 | 165.5 | -160.4 | 0 | 123.2 | |||||
| 7 | L | 26.3 | Very low | 29.8 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | 64.3 | 135.4 | 119.3 | -77.1 | 177.7 | 0 | 0 | 0 | 125.1 | |||||
| 8 | A | 25.4 | Very low | 30 | Very low | 94 Ų | 94 | 146.6 Ų | 146.6 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | 84.5 | 170.7 | 129.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 9 | C | 26.2 | Very low | 30.3 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 75% | 0.75 | 81% | 0.807 | S | S | * | * | trans | -99.1 | 176.5 | -165.6 | -54.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 10 | D | 23.6 | Very low | 30.7 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | 72.7 | 140.9 | 162.3 | -63.1 | -57.8 | 0 | 0 | 0 | 118.6 | ||||
| 11 | G | 25.9 | Very low | 31.2 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 176.3 | -3.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 12 | L | 27.2 | Very low | 31.7 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | trans | 47.1 | 109.7 | 162.3 | -70.2 | 169.4 | 0 | 0 | 0 | 121.6 | ||||
| 13 | R | 29.1 | Very low | 32.5 | Very low | 233 Ų | 233 | 139.8 Ų | 139.8 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | 66.1 | 107.4 | 123.9 | -170.5 | -162.8 | -70.6 | -169.8 | -3 | 120.8 | |||||
| 14 | A | 25.4 | Very low | 33.3 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 88% | 0.884 | 76% | 0.758 | S | S | * | * | trans | -149.7 | 159.6 | 141.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 15 | S | 29.2 | Very low | 34.4 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -119.9 | 136.2 | -157.8 | 148.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 16 | S | 32 | Very low | 35.6 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -164.9 | 120.5 | 137.8 | 46.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 17 | R | 40.4 | Very low | 37.2 | Very low | 251 Ų | 251 | 123.9 Ų | 123.9 | 95% | 0.947 | 72% | 0.717 | S | S | * | * | 74.3 | 110.3 | 65.9 | -94.3 | -165.4 | 175 | -163 | 0.6 | 115 | |||||
| 18 | G | 33.7 | Very low | 39.2 | Very low | 76 Ų | 76 | 122.5 Ų | 122.5 | 78% | 0.784 | 70% | 0.702 | S | S | * | * | trans | 107.8 | 129.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 19 | E | 34.9 | Very low | 41.4 | Very low | 142 Ų | 142 | 123 Ų | 123 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | cis | -142.1 | 140.3 | -4.8 | -65.7 | -176.8 | 86.2 | 0 | 0 | 110.8 | V22 | E19-V22 WeakPolarHBondContact OE2-CG2 3.12Š| ||
| 20 | P | 39.5 | Very low | 43.8 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -94.1 | -16.3 | 166.3 | -5.2 | 24.6 | 0 | 0 | 0 | 113.7 | ||
| 21 | Q | 41.3 | Very low | 46.6 | Very low | 137 Ų | 137 | 120.9 Ų | 120.9 | 64% | 0.64 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -81.3 | -32.9 | -160.5 | -167.6 | 159.9 | -15.5 | 0 | 0 | 113.5 | Q23 L24 L25 | Q21-Q23 PolarHBondContact O-N 2.75Å; Q21-L24 PolarHBondContact O-N 3.11Å; Q21-L25 HydrophobicContact CG-CD1 4.31Å; Q21-L25 WeakPolarHBondContact O-CG 3.19Å; Q21-L25 PolarHBondContact O-N 3.01Å |
| 22 | V | 46.2 | Very low | 49.2 | Very low | 82 Ų | 82 | 118.2 Ų | 118.2 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.3 | -41.2 | 179.2 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | E19 L24 L25 S26 | E19-V22 WeakPolarHBondContact OE2-CG2 3.12Å; V22-L24 PolarHBondContact O-N 3.16Å; V22-L25 PolarHBondContact O-N 2.89Å; V22-S26 PolarHBondContact O-N 3.21Å |
| 23 | Q | 46.5 | Very low | 51.8 | Low | 157 Ų | 157 | 114.6 Ų | 114.6 | 73% | 0.734 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.1 | -37.5 | -179 | -68.4 | -176.5 | -10.8 | 0 | 0 | 112.7 | Q21 S26 A27 | Q21-Q23 PolarHBondContact O-N 2.75Å; Q23-S26 PolarHBondContact O-N 3.08Å; Q23-A27 PolarHBondContact O-N 2.84Å |
| 24 | L | 49.5 | Very low | 54.4 | Low | 135 Ų | 135 | 107.3 Ų | 107.3 | 71% | 0.707 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.4 | -34.3 | 177.6 | -172.8 | 63.6 | 0 | 0 | 0 | 112.2 | Q21 V22 R28 | Q21-L24 PolarHBondContact O-N 3.11Å; V22-L24 PolarHBondContact O-N 3.16Å; L24-R28 PolarHBondContact O-N 3.45Å |
| 25 | L | 53.6 | Low | 57.2 | Low | 103 Ų | 103 | 106.7 Ų | 106.7 | 54% | 0.539 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69 | -39.4 | 174.2 | -69.2 | 171.6 | 0 | 0 | 0 | 111.7 | Q21 V22 R28 Q29 | Q21-L25 HydrophobicContact CG-CD1 4.31Å; Q21-L25 WeakPolarHBondContact O-CG 3.19Å; Q21-L25 PolarHBondContact O-N 3.01Å; V22-L25 PolarHBondContact O-N 2.89Å; L25-R28 PolarHBondContact O-N 3.07Å; L25-Q29 WeakPolarHBondContact O-CB 3.47Å; L25-Q29 PolarHBondContact O-N 2.98Å |
| 26 | S | 59.9 | Low | 59.9 | Low | 60 Ų | 60 | 102.8 Ų | 102.8 | 42% | 0.42 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.9 | -55.5 | 173.4 | -162.6 | 0 | 0 | 0 | 0 | 111.1 | V22 Q23 R28 Q29 E30 | V22-S26 PolarHBondContact O-N 3.21Å; Q23-S26 PolarHBondContact O-N 3.08Å; S26-R28 VanDerWaalsContact C-N 3.26Å; S26-R28 PolarHBondContact O-N 3.16Å; S26-Q29 CarbonylContact O-C 3.11Å; S26-Q29 PolarHBondContact O-N 3.29Å; S26-E30 WeakPolarHBondContact CB-OE1 3.4Å; S26-E30 VanDerWaalsContact O-CG 3.3Å; S26-E30 WeakPolarHBondContact O-CG 3.49Å; S26-E30 PolarHBondContact O-N 3.38Å; S26-E30 PolarHBondContact OG-OE1 3.32Å |
| 27 | A | 65 | Low | 62.5 | Low | 40 Ų | 40 | 101.1 Ų | 101.1 | 33% | 0.331 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.3 | -37.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q23 E30 I31 | Q23-A27 PolarHBondContact O-N 2.84Å; A27-E30 PolarHBondContact N-OE1 2.7Å; A27-I31 WeakPolarHBondContact O-CD1 3.42Å; A27-I31 VanDerWaalsContact O-CG1 3.24Å; A27-I31 WeakPolarHBondContact O-CG1 3.19Å; A27-I31 PolarHBondContact O-N 2.91Å |
| 28 | R | 69 | Low | 64.8 | Low | 113 Ų | 113 | 91.8 Ų | 91.8 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 175.6 | -171.4 | 177.3 | 177.7 | -159.2 | -1.3 | 112.3 | L24 L25 S26 I31 L32 H59 E60 | L24-R28 PolarHBondContact O-N 3.45Å; L25-R28 PolarHBondContact O-N 3.07Å; S26-R28 VanDerWaalsContact C-N 3.26Å; S26-R28 PolarHBondContact O-N 3.16Å; R28-I31 PolarHBondContact O-N 3.5Å; R28-L32 PolarHBondContact O-N 3.04Å; R28-H59 PolarHBondContact NE-NE2 3.16Å; R28-H59 PolarHBondContact NH2-NE2 3.18Å; R28-E60 IonicContact CZ-OE1 3.48Å; R28-E60 IonicContact CZ-OE2 2.72Å; R28-E60 IonicContact NH1-OE1 2.64Å; R28-E60 PolarHBondContact NH1-OE1 2.82Å; R28-E60 IonicContact NH1-OE2 2.64Å; R28-E60 IonicContact NH2-OE1 3.95Å; R28-E60 PolarHBondContact NH2-OE1 2.89Å; R28-E60 IonicContact NH2-OE2 3.45Å |
| 29 | Q | 71.9 | Confident | 67.4 | Low | 105 Ų | 105 | 90.9 Ų | 90.9 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.3 | -36.1 | 176.7 | -174.6 | 58.6 | 32.2 | 0 | 0 | 111.9 | L25 S26 L32 T33 | L25-Q29 WeakPolarHBondContact O-CB 3.47Å; L25-Q29 PolarHBondContact O-N 2.98Å; S26-Q29 CarbonylContact O-C 3.11Å; S26-Q29 PolarHBondContact O-N 3.29Å; Q29-L32 PolarHBondContact O-N 2.82Å; Q29-T33 PolarHBondContact NE2-OG1 3.22Å; Q29-T33 VanDerWaalsContact O-CB 3.31Å; Q29-T33 WeakPolarHBondContact O-CB 3.4Å; Q29-T33 PolarHBondContact O-N 2.67Å; Q29-T33 PolarHBondContact O-OG1 3.23Å |
| 30 | E | 76.6 | Confident | 69.8 | Low | 113 Ų | 113 | 85.6 Ų | 85.6 | 53% | 0.528 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 172.9 | -70.8 | 157.4 | -132.7 | 0 | 0 | 111.2 | S26 A27 T33 S34 | S26-E30 WeakPolarHBondContact CB-OE1 3.4Å; S26-E30 VanDerWaalsContact O-CG 3.3Å; S26-E30 WeakPolarHBondContact O-CG 3.49Å; S26-E30 PolarHBondContact O-N 3.38Å; S26-E30 PolarHBondContact OG-OE1 3.32Å; A27-E30 PolarHBondContact N-OE1 2.7Å; E30-T33 PolarHBondContact O-N 3.08Å; E30-S34 VanDerWaalsContact O-CB 3.26Å; E30-S34 WeakPolarHBondContact O-CB 3.32Å; E30-S34 PolarHBondContact O-N 3.21Å |
| 31 | I | 80.8 | Confident | 72.1 | Confident | 120 Ų | 120 | 83.8 Ų | 83.8 | 62% | 0.615 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.1 | -46.1 | 174.7 | -70 | 163.5 | 0 | 0 | 0 | 111.2 | A27 R28 S34 L35 | A27-I31 WeakPolarHBondContact O-CD1 3.42Å; A27-I31 VanDerWaalsContact O-CG1 3.24Å; A27-I31 WeakPolarHBondContact O-CG1 3.19Å; A27-I31 PolarHBondContact O-N 2.91Å; R28-I31 PolarHBondContact O-N 3.5Å; I31-S34 PolarHBondContact O-N 2.97Å; I31-L35 WeakPolarHBondContact O-CB 3.46Å; I31-L35 PolarHBondContact O-N 2.94Å |
| 32 | L | 81.1 | Confident | 74.4 | Confident | 18 Ų | 18 | 81.2 Ų | 81.2 | 9% | 0.094 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 177.4 | -179.8 | 62 | 0 | 0 | 0 | 111.5 | R28 Q29 S34 L35 V36 H59 | R28-L32 PolarHBondContact O-N 3.04Å; Q29-L32 PolarHBondContact O-N 2.82Å; L32-S34 PolarHBondContact O-N 3.28Å; L32-L35 PolarHBondContact O-N 3.19Å; L32-V36 HydrophobicContact CD1-CG2 4.3Å; L32-V36 WeakPolarHBondContact O-CB 3.21Å; L32-V36 VanDerWaalsContact O-CG2 3.26Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.87Å; L32-H59 HydrophobicContact CD1-CB 3.96Å; L32-H59 HydrophobicContact CD2-CB 4.2Å |
| 33 | T | 81.3 | Confident | 76.4 | Confident | 77 Ų | 77 | 77.4 Ų | 77.4 | 47% | 0.472 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 179.3 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | Q29 E30 S37 | Q29-T33 PolarHBondContact NE2-OG1 3.22Å; Q29-T33 VanDerWaalsContact O-CB 3.31Å; Q29-T33 WeakPolarHBondContact O-CB 3.4Å; Q29-T33 PolarHBondContact O-N 2.67Å; Q29-T33 PolarHBondContact O-OG1 3.23Å; E30-T33 PolarHBondContact O-N 3.08Å; T33-S37 VanDerWaalsContact O-CB 3.24Å; T33-S37 WeakPolarHBondContact O-CB 3.5Å; T33-S37 PolarHBondContact O-N 3.18Å |
| 34 | S | 84.7 | Confident | 78.1 | Confident | 81 Ų | 81 | 75.2 Ų | 75.2 | 57% | 0.566 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 174.1 | -174.9 | 0 | 0 | 0 | 0 | 112 | E30 I31 L32 S37 A38 | E30-S34 VanDerWaalsContact O-CB 3.26Å; E30-S34 WeakPolarHBondContact O-CB 3.32Å; E30-S34 PolarHBondContact O-N 3.21Å; I31-S34 PolarHBondContact O-N 2.97Å; L32-S34 PolarHBondContact O-N 3.28Å; S34-S37 PolarHBondContact O-N 3.41Å; S34-A38 WeakPolarHBondContact O-CB 3.17Å; S34-A38 PolarHBondContact O-N 3.12Å |
| 35 | L | 83.9 | Confident | 79.9 | Confident | 93 Ų | 93 | 71.2 Ų | 71.2 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 177.6 | -172.8 | 120.4 | 0 | 0 | 0 | 112.3 | I31 L32 A38 L39 | I31-L35 WeakPolarHBondContact O-CB 3.46Å; I31-L35 PolarHBondContact O-N 2.94Å; L32-L35 PolarHBondContact O-N 3.19Å; L35-A38 PolarHBondContact O-N 3.23Å; L35-L39 HydrophobicContact CD2-CD1 3.85Å; L35-L39 HydrophobicContact CG-CD1 4.35Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 VanDerWaalsContact O-CG 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.17Å; L35-L39 PolarHBondContact O-N 3.41Å |
| 36 | V | 87 | Confident | 81.2 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 16% | 0.164 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.2 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | L32 L39 D40 I64 V66 | L32-V36 HydrophobicContact CD1-CG2 4.3Å; L32-V36 WeakPolarHBondContact O-CB 3.21Å; L32-V36 VanDerWaalsContact O-CG2 3.26Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.87Å; V36-L39 PolarHBondContact O-N 3.11Å; V36-D40 PolarHBondContact O-N 3Å; V36-I64 HydrophobicContact CG1-CG2 3.94Å; V36-I64 HydrophobicContact CG2-CD1 3.92Å; V36-I64 HydrophobicContact CG2-CG2 4.25Å; V36-V66 HydrophobicContact CG1-CG1 3.7Å |
| 37 | S | 86.4 | Confident | 82.3 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 175.3 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | T33 S34 L39 D40 S41 | T33-S37 VanDerWaalsContact O-CB 3.24Å; T33-S37 WeakPolarHBondContact O-CB 3.5Å; T33-S37 PolarHBondContact O-N 3.18Å; S34-S37 PolarHBondContact O-N 3.41Å; S37-L39 PolarHBondContact O-N 3.04Å; S37-D40 PolarHBondContact O-N 3.48Å; S37-S41 VanDerWaalsContact O-CB 3.27Å; S37-S41 WeakPolarHBondContact O-CB 3.47Å; S37-S41 PolarHBondContact O-N 3.42Å |
| 38 | A | 87.9 | Confident | 83.1 | Confident | 56 Ų | 56 | 75.9 Ų | 75.9 | 46% | 0.463 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | S34 L35 S41 V42 | S34-A38 WeakPolarHBondContact O-CB 3.17Å; S34-A38 PolarHBondContact O-N 3.12Å; L35-A38 PolarHBondContact O-N 3.23Å; A38-S41 PolarHBondContact O-N 3.45Å; A38-V42 WeakPolarHBondContact O-CG2 3.34Å; A38-V42 PolarHBondContact O-N 2.97Å |
| 39 | L | 88.1 | Confident | 83.7 | Confident | 56 Ų | 56 | 76.1 Ų | 76.1 | 29% | 0.293 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 176.2 | -74.2 | 167.1 | 0 | 0 | 0 | 112.6 | L35 V36 S37 V42 C43 V66 | L35-L39 HydrophobicContact CD2-CD1 3.85Å; L35-L39 HydrophobicContact CG-CD1 4.35Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 VanDerWaalsContact O-CG 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.17Å; L35-L39 PolarHBondContact O-N 3.41Å; V36-L39 PolarHBondContact O-N 3.11Å; S37-L39 PolarHBondContact O-N 3.04Å; L39-V42 PolarHBondContact O-N 3.21Å; L39-C43 PolarHBondContact O-N 3.08Å; L39-C43 PolarHBondContact O-SG 3.1Å; L39-V66 HydrophobicContact CB-CG2 3.78Å |
| 40 | D | 85.8 | Confident | 84.3 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 17% | 0.166 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 176.4 | -153.8 | 63.8 | 0 | 0 | 0 | 111.1 | V36 S37 V42 C43 M44 V66 G67 R72 | V36-D40 PolarHBondContact O-N 3Å; S37-D40 PolarHBondContact O-N 3.48Å; D40-V42 PolarHBondContact O-N 3.22Å; D40-C43 CarbonylContact O-C 3.59Å; D40-C43 WeakPolarHBondContact O-CB 3.47Å; D40-C43 PolarHBondContact O-N 2.95Å; D40-C43 VanDerWaalsContact O-N 3.13Å; D40-M44 WeakPolarHBondContact O-CB 3.49Å; D40-M44 WeakPolarHBondContact O-CG 3.46Å; D40-M44 PolarHBondContact O-N 3.1Å; D40-V66 HydrophobicContact CB-CB 3.96Å; D40-V66 HydrophobicContact CB-CG1 4.05Å; D40-V66 WeakPolarHBondContact OD1-CB 3.45Å; D40-G67 PolarHBondContact OD1-N 3.22Å; D40-R72 IonicContact OD1-CZ 2.77Å; D40-R72 IonicContact OD1-NH1 3.6Å; D40-R72 PolarHBondContact OD1-NH1 2.65Å; D40-R72 IonicContact OD2-NH1 2.7Å; D40-R72 PolarHBondContact OD2-NH1 3.3Å |
| 41 | S | 88.1 | Confident | 84.6 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 53% | 0.531 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 172.7 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | S37 A38 M44 A45 | S37-S41 VanDerWaalsContact O-CB 3.27Å; S37-S41 WeakPolarHBondContact O-CB 3.47Å; S37-S41 PolarHBondContact O-N 3.42Å; A38-S41 PolarHBondContact O-N 3.45Å; S41-M44 PolarHBondContact O-N 3.08Å; S41-A45 WeakPolarHBondContact O-CB 3.47Å; S41-A45 PolarHBondContact O-N 2.91Å |
| 42 | V | 89.6 | Confident | 85.1 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 50% | 0.503 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 173 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | A38 L39 D40 A45 M46 | A38-V42 WeakPolarHBondContact O-CG2 3.34Å; A38-V42 PolarHBondContact O-N 2.97Å; L39-V42 PolarHBondContact O-N 3.21Å; D40-V42 PolarHBondContact O-N 3.22Å; V42-A45 WeakPolarHBondContact O-CB 3.34Å; V42-A45 PolarHBondContact O-N 3.2Å; V42-M46 WeakPolarHBondContact O-CG 3.16Å; V42-M46 PolarHBondContact O-N 3.28Å |
| 43 | C | 87.3 | Confident | 85.6 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.02 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 175.7 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | L39 D40 A45 M46 S47 V53 | L39-C43 PolarHBondContact O-N 3.08Å; L39-C43 PolarHBondContact O-SG 3.1Å; D40-C43 CarbonylContact O-C 3.59Å; D40-C43 WeakPolarHBondContact O-CB 3.47Å; D40-C43 PolarHBondContact O-N 2.95Å; D40-C43 VanDerWaalsContact O-N 3.13Å; C43-A45 VanDerWaalsContact C-N 3.34Å; C43-M46 PolarHBondContact O-N 3.16Å; C43-S47 PolarHBondContact O-N 3.16Å; C43-V53 HydrophobicContact CB-CB 4.42Å; C43-V53 HydrophobicContact CB-CG1 4.38Å |
| 44 | M | 83.2 | Confident | 86 | Confident | 110 Ų | 110 | 71.9 Ų | 71.9 | 54% | 0.542 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.8 | -34 | 174.1 | -70.1 | -169.7 | 79.7 | 0 | 0 | 112 | D40 S41 S47 | D40-M44 WeakPolarHBondContact O-CB 3.49Å; D40-M44 WeakPolarHBondContact O-CG 3.46Å; D40-M44 PolarHBondContact O-N 3.1Å; S41-M44 PolarHBondContact O-N 3.08Å; M44-S47 WeakPolarHBondContact O-CB 3.46Å; M44-S47 PolarHBondContact O-N 2.84Å; M44-S47 PolarHBondContact O-OG 2.69Å |
| 45 | A | 86.1 | Confident | 86.3 | Confident | 51 Ų | 51 | 70 Ų | 70 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S41 V42 C43 S47 K48 | S41-A45 WeakPolarHBondContact O-CB 3.47Å; S41-A45 PolarHBondContact O-N 2.91Å; V42-A45 WeakPolarHBondContact O-CB 3.34Å; V42-A45 PolarHBondContact O-N 3.2Å; C43-A45 VanDerWaalsContact C-N 3.34Å; A45-S47 VanDerWaalsContact C-N 3.28Å; A45-S47 PolarHBondContact O-N 3.26Å; A45-K48 WeakPolarHBondContact O-CB 3.32Å; A45-K48 PolarHBondContact O-N 3.28Å |
| 46 | M | 80.4 | Confident | 86.6 | Confident | 80 Ų | 80 | 67 Ų | 67 | 39% | 0.394 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.1 | -29.1 | 174.7 | -72.1 | -172.2 | 70 | 0 | 0 | 113.3 | V42 C43 K48 L49 A51 V53 | V42-M46 WeakPolarHBondContact O-CG 3.16Å; V42-M46 PolarHBondContact O-N 3.28Å; C43-M46 PolarHBondContact O-N 3.16Å; M46-K48 PolarHBondContact O-N 3.16Å; M46-K48 VanDerWaalsContact O-N 3.16Å; M46-L49 WeakPolarHBondContact O-CB 3.42Å; M46-L49 PolarHBondContact O-N 2.84Å; M46-A51 HydrophobicContact CE-CB 4.47Å; M46-V53 HydrophobicContact CB-CG2 3.73Å; M46-V53 HydrophobicContact CE-CG2 3.83Å; M46-V53 HydrophobicContact CG-CG2 4.49Å; M46-V53 HydrophobicContact SD-CG1 4.4Å; M46-V53 HydrophobicContact SD-CG2 4.01Å |
| 47 | S | 83.1 | Confident | 86.5 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.7 | -30.9 | 174.9 | 83.7 | 0 | 0 | 0 | 0 | 112.9 | C43 M44 A45 L49 N50 | C43-S47 PolarHBondContact O-N 3.16Å; M44-S47 WeakPolarHBondContact O-CB 3.46Å; M44-S47 PolarHBondContact O-N 2.84Å; M44-S47 PolarHBondContact O-OG 2.69Å; A45-S47 VanDerWaalsContact C-N 3.28Å; A45-S47 PolarHBondContact O-N 3.26Å; S47-L49 PolarHBondContact O-N 2.84Å; S47-N50 WeakPolarHBondContact O-CA 3.43Å; S47-N50 PolarHBondContact O-N 2.69Å |
| 48 | K | 82.2 | Confident | 86.5 | Confident | 170 Ų | 170 | 64.9 Ų | 64.9 | 74% | 0.739 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.9 | 177.7 | -56.3 | 174.7 | -176.1 | 174.3 | 0 | 112.8 | A45 M46 N50 | A45-K48 WeakPolarHBondContact O-CB 3.32Å; A45-K48 PolarHBondContact O-N 3.28Å; M46-K48 PolarHBondContact O-N 3.16Å; M46-K48 VanDerWaalsContact O-N 3.16Å; K48-N50 VanDerWaalsContact C-N 3.31Å |
| 49 | L | 82.8 | Confident | 86.2 | Confident | 118 Ų | 118 | 64.5 Ų | 64.5 | 62% | 0.618 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 9.7 | 173.6 | -55 | 177.3 | 0 | 0 | 0 | 112.6 | M46 S47 A51 | M46-L49 WeakPolarHBondContact O-CB 3.42Å; M46-L49 PolarHBondContact O-N 2.84Å; S47-L49 PolarHBondContact O-N 2.84Å; L49-A51 PolarHBondContact O-N 3.39Å |
| 50 | N | 84.1 | Confident | 85.9 | Confident | 153 Ų | 153 | 67.1 Ų | 67.1 | 82% | 0.818 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 22.6 | -168.2 | -56.1 | -75.7 | 0 | 0 | 0 | 114.1 | S47 K48 | S47-N50 WeakPolarHBondContact O-CA 3.43Å; S47-N50 PolarHBondContact O-N 2.69Å; K48-N50 VanDerWaalsContact C-N 3.31Å |
| 51 | A | 83.4 | Confident | 85.5 | Confident | 32 Ų | 32 | 70.6 Ų | 70.6 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | trans | -85.9 | 122.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | M46 L49 V53 | M46-A51 HydrophobicContact CE-CB 4.47Å; L49-A51 PolarHBondContact O-N 3.39Å; A51-V53 HydrophobicContact CB-CG2 3.96Å | ||
| 52 | E | 91.4 | Very high | 84.9 | Confident | 97 Ų | 97 | 70 Ų | 70 | 45% | 0.453 | 39% | 0.389 | S | S | . | . | trans | -82.3 | 121.6 | 164.8 | -56.8 | -62.3 | 172.2 | 0 | 0 | 108.2 | T68 K70 | E52-T68 WeakPolarHBondContact CA-OG1 3.43Å; E52-T68 WeakPolarHBondContact OE2-CB 3.37Å; E52-T68 PolarHBondContact OE2-OG1 3.38Å; E52-K70 HydrophobicContact CG-CB 4.22Å; E52-K70 HydrophobicContact CG-CD 4.36Å; E52-K70 VanDerWaalsContact OE1-CD 3.3Å; E52-K70 WeakPolarHBondContact OE1-CD 3.39Å; E52-K70 WeakPolarHBondContact OE1-CE 3Å; E52-K70 IonicContact OE1-NZ 3.31Å; E52-K70 PolarHBondContact OE1-NZ 3.48Å; E52-K70 WeakPolarHBondContact OE2-CB 3.15Å; E52-K70 IonicContact OE2-NZ 3.03Å | ||
| 53 | V | 91.1 | Very high | 84.6 | Confident | 23 Ų | 23 | 68.5 Ų | 68.5 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | trans | -127.4 | 138.9 | -169.8 | -175.8 | 0 | 0 | 0 | 0 | 109 | C43 M46 A51 G67 T68 | C43-V53 HydrophobicContact CB-CB 4.42Å; C43-V53 HydrophobicContact CB-CG1 4.38Å; M46-V53 HydrophobicContact CB-CG2 3.73Å; M46-V53 HydrophobicContact CE-CG2 3.83Å; M46-V53 HydrophobicContact CG-CG2 4.49Å; M46-V53 HydrophobicContact SD-CG1 4.4Å; M46-V53 HydrophobicContact SD-CG2 4.01Å; A51-V53 HydrophobicContact CB-CG2 3.96Å; V53-G67 CarbonylContact O-C 3.59Å; V53-G67 WeakPolarHBondContact O-CA 3.48Å; V53-T68 HydrophobicContact CB-CG2 4.25Å; V53-T68 PolarHBondContact N-OG1 2.97Å; V53-T68 PolarHBondContact O-N 3.02Å | ||
| 54 | A | 90.3 | Very high | 84.6 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 130.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | G71 L75 | A54-G71 VanDerWaalsContact CB-C 3.45Å; A54-G71 VanDerWaalsContact CB-O 3.26Å; A54-G71 WeakPolarHBondContact CB-O 3.49Å; A54-L75 HydrophobicContact CB-CD1 3.46Å; A54-L75 VanDerWaalsContact CB-CD1 3.46Å; A54-L75 HydrophobicContact CB-CG 3.63Å |
| 55 | C | 89.8 | Confident | 84.9 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 28% | 0.284 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.6 | -177 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | A65 V66 | C55-A65 WeakPolarHBondContact O-CA 3.34Å; C55-V66 HydrophobicContact CB-CG2 3.83Å; C55-V66 PolarHBondContact N-O 3.08Å; C55-V66 PolarHBondContact O-N 2.87Å |
| 56 | V | 89.6 | Confident | 85.1 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.1 | 171 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | V58 V63 L75 Q82 F85 | V56-V58 HydrophobicContact CG1-CG2 4.37Å; V56-V63 HydrophobicContact CG1-CG1 3.52Å; V56-L75 HydrophobicContact CG2-CD1 3.65Å; V56-L75 HydrophobicContact CG2-CD2 3.75Å; V56-L75 HydrophobicContact CG2-CG 4.33Å; V56-Q82 HydrophobicContact CG2-CG 4.22Å; V56-F85 HydrophobicContact CB-CD1 3.95Å; V56-F85 HydrophobicContact CB-CE1 4.3Å; V56-F85 HydrophobicContact CG1-CD1 3.66Å; V56-F85 HydrophobicContact CG1-CE1 4.28Å |
| 57 | T | 86 | Confident | 85.6 | Confident | 23 Ų | 23 | 60.6 Ų | 60.6 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.1 | 172.5 | -51.6 | 0 | 0 | 0 | 0 | 108.4 | V63 I64 | T57-V63 WeakPolarHBondContact O-CA 3.38Å; T57-I64 PolarHBondContact N-O 3.31Å; T57-I64 PolarHBondContact O-N 3.03Å |
| 58 | V | 86.4 | Confident | 85.9 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.9 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | V56 S62 V63 F85 Y86 C89 | V56-V58 HydrophobicContact CG1-CG2 4.37Å; V58-S62 WeakPolarHBondContact CA-O 3.23Å; V58-V63 HydrophobicContact CG2-CG1 4.45Å; V58-V63 HydrophobicContact CG2-CG2 4.39Å; V58-F85 HydrophobicContact CG2-CD1 3.81Å; V58-F85 HydrophobicContact CG2-CE1 4.01Å; V58-Y86 HydrophobicContact CG1-CD2 3.73Å; V58-Y86 HydrophobicContact CG1-CE2 4.22Å; V58-C89 HydrophobicContact CB-CB 4.49Å; V58-C89 HydrophobicContact CG1-CB 4.23Å |
| 59 | H | 81.9 | Confident | 86.1 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 112.3 | 173.6 | 176.4 | -80.8 | 0 | 0 | 0 | 109.4 | R28 L32 D61 S62 | R28-H59 PolarHBondContact NE-NE2 3.16Å; R28-H59 PolarHBondContact NH2-NE2 3.18Å; L32-H59 HydrophobicContact CD1-CB 3.96Å; L32-H59 HydrophobicContact CD2-CB 4.2Å; H59-D61 PolarHBondContact O-N 3.18Å; H59-S62 PolarHBondContact N-O 3.07Å; H59-S62 WeakPolarHBondContact O-CB 3.42Å; H59-S62 PolarHBondContact O-N 3.34Å |
| 60 | E | 81.5 | Confident | 86.4 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 51% | 0.514 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -108.7 | -173.1 | -63.2 | 173.4 | 151.2 | 0 | 0 | 110.3 | R28 | R28-E60 IonicContact CZ-OE1 3.48Å; R28-E60 IonicContact CZ-OE2 2.72Å; R28-E60 IonicContact NH1-OE1 2.64Å; R28-E60 PolarHBondContact NH1-OE1 2.82Å; R28-E60 IonicContact NH1-OE2 2.64Å; R28-E60 IonicContact NH2-OE1 3.95Å; R28-E60 PolarHBondContact NH2-OE1 2.89Å; R28-E60 IonicContact NH2-OE2 3.45Å |
| 61 | D | 76.3 | Confident | 86.7 | Confident | 105 Ų | 105 | 51.2 Ų | 51.2 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -0.4 | 178.5 | -65.3 | -19.1 | 0 | 0 | 0 | 113.4 | H59 Y86 R90 | H59-D61 PolarHBondContact O-N 3.18Å; D61-Y86 PolarHBondContact OD1-OH 2.95Å; D61-R90 IonicContact OD1-CZ 3.66Å; D61-R90 IonicContact OD1-NE 2.76Å; D61-R90 PolarHBondContact OD1-NE 3.44Å; D61-R90 IonicContact OD1-NH2 2.73Å; D61-R90 PolarHBondContact OD1-NH2 2.94Å; D61-R90 IonicContact OD2-NH2 2.72Å |
| 62 | S | 76.5 | Confident | 87 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 44% | 0.441 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 128.9 | 178.1 | -67.5 | 0 | 0 | 0 | 0 | 111.5 | V58 H59 | V58-S62 WeakPolarHBondContact CA-O 3.23Å; H59-S62 PolarHBondContact N-O 3.07Å; H59-S62 WeakPolarHBondContact O-CB 3.42Å; H59-S62 PolarHBondContact O-N 3.34Å |
| 63 | V | 83.9 | Confident | 86.9 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.9 | 170.7 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | V56 T57 V58 Q82 Y86 | V56-V63 HydrophobicContact CG1-CG1 3.52Å; T57-V63 WeakPolarHBondContact O-CA 3.38Å; V58-V63 HydrophobicContact CG2-CG1 4.45Å; V58-V63 HydrophobicContact CG2-CG2 4.39Å; V63-Q82 HydrophobicContact CG1-CB 4.18Å; V63-Y86 HydrophobicContact CG2-CD2 3.71Å; V63-Y86 HydrophobicContact CG2-CG 3.99Å |
| 64 | I | 87.6 | Confident | 86.9 | Confident | 48 Ų | 48 | 58.1 Ų | 58.1 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.6 | -172.8 | -52.9 | 175.1 | 0 | 0 | 0 | 108.7 | V36 T57 V66 | V36-I64 HydrophobicContact CG1-CG2 3.94Å; V36-I64 HydrophobicContact CG2-CD1 3.92Å; V36-I64 HydrophobicContact CG2-CG2 4.25Å; T57-I64 PolarHBondContact N-O 3.31Å; T57-I64 PolarHBondContact O-N 3.03Å; I64-V66 HydrophobicContact CG2-CG1 4.37Å |
| 65 | A | 89.4 | Confident | 86.9 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 20% | 0.198 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | C55 L75 | C55-A65 WeakPolarHBondContact O-CA 3.34Å; A65-L75 HydrophobicContact CB-CD1 4.35Å |
| 66 | V | 90.4 | Very high | 86.7 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 159.4 | 173.4 | -65.7 | 0 | 0 | 0 | 0 | 110.1 | V36 L39 D40 C55 I64 | V36-V66 HydrophobicContact CG1-CG1 3.7Å; L39-V66 HydrophobicContact CB-CG2 3.78Å; D40-V66 HydrophobicContact CB-CB 3.96Å; D40-V66 HydrophobicContact CB-CG1 4.05Å; D40-V66 WeakPolarHBondContact OD1-CB 3.45Å; C55-V66 HydrophobicContact CB-CG2 3.83Å; C55-V66 PolarHBondContact N-O 3.08Å; C55-V66 PolarHBondContact O-N 2.87Å; I64-V66 HydrophobicContact CG2-CG1 4.37Å |
| 67 | G | 89.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.1 | -178.8 | -171 | 0 | 0 | 0 | 0 | 0 | 115.4 | D40 V53 R72 | D40-G67 PolarHBondContact OD1-N 3.22Å; V53-G67 CarbonylContact O-C 3.59Å; V53-G67 WeakPolarHBondContact O-CA 3.48Å; G67-R72 PolarHBondContact O-NH1 3.09Å |
| 68 | T | 90.5 | Very high | 86.8 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | trans | -66.4 | 158.9 | 162.9 | 70.6 | 0 | 0 | 0 | 0 | 110.2 | E52 V53 K70 G71 R72 | E52-T68 WeakPolarHBondContact CA-OG1 3.43Å; E52-T68 WeakPolarHBondContact OE2-CB 3.37Å; E52-T68 PolarHBondContact OE2-OG1 3.38Å; V53-T68 HydrophobicContact CB-CG2 4.25Å; V53-T68 PolarHBondContact N-OG1 2.97Å; V53-T68 PolarHBondContact O-N 3.02Å; T68-K70 VanDerWaalsContact C-N 3.29Å; T68-K70 PolarHBondContact O-N 2.96Å; T68-G71 CarbonylContact O-C 3.58Å; T68-G71 WeakPolarHBondContact O-CA 3.34Å; T68-G71 PolarHBondContact O-N 3.28Å; T68-G71 PolarHBondContact OG1-N 2.85Å; T68-R72 PolarHBondContact O-N 3.24Å | ||
| 69 | E | 86.6 | Confident | 86.8 | Confident | 153 Ų | 153 | 73.1 Ų | 73.1 | 72% | 0.715 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -50.2 | -47.5 | 179 | -170.4 | -169 | 165.5 | 0 | 0 | 112.4 | M73 | E69-M73 WeakPolarHBondContact O-CB 3.3Å; E69-M73 WeakPolarHBondContact O-CG 3.48Å; E69-M73 PolarHBondContact O-N 3.37Å |
| 70 | K | 88 | Confident | 87.1 | Confident | 130 Ų | 130 | 76.1 Ų | 76.1 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -72.6 | -30.2 | 178.2 | -47.1 | -169.3 | -164.4 | 64.8 | 0 | 112.6 | E52 T68 F74 | E52-K70 HydrophobicContact CG-CB 4.22Å; E52-K70 HydrophobicContact CG-CD 4.36Å; E52-K70 VanDerWaalsContact OE1-CD 3.3Å; E52-K70 WeakPolarHBondContact OE1-CD 3.39Å; E52-K70 WeakPolarHBondContact OE1-CE 3Å; E52-K70 IonicContact OE1-NZ 3.31Å; E52-K70 PolarHBondContact OE1-NZ 3.48Å; E52-K70 WeakPolarHBondContact OE2-CB 3.15Å; E52-K70 IonicContact OE2-NZ 3.03Å; T68-K70 VanDerWaalsContact C-N 3.29Å; T68-K70 PolarHBondContact O-N 2.96Å; K70-F74 WeakPolarHBondContact O-CB 3.38Å; K70-F74 PolarHBondContact O-N 3.45Å |
| 71 | G | 90.6 | Very high | 87.5 | Confident | 4 Ų | 4 | 74 Ų | 74 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.1 | -48.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A54 T68 M73 F74 L75 | A54-G71 VanDerWaalsContact CB-C 3.45Å; A54-G71 VanDerWaalsContact CB-O 3.26Å; A54-G71 WeakPolarHBondContact CB-O 3.49Å; T68-G71 CarbonylContact O-C 3.58Å; T68-G71 WeakPolarHBondContact O-CA 3.34Å; T68-G71 PolarHBondContact O-N 3.28Å; T68-G71 PolarHBondContact OG1-N 2.85Å; G71-M73 VanDerWaalsContact C-N 3.34Å; G71-M73 PolarHBondContact O-N 3.45Å; G71-F74 WeakPolarHBondContact O-CB 3.38Å; G71-F74 PolarHBondContact O-N 3.24Å; G71-F74 VanDerWaalsContact O-N 3.17Å; G71-L75 PolarHBondContact O-N 3.29Å |
| 72 | R | 89.3 | Confident | 88 | Confident | 74 Ų | 74 | 70.1 Ų | 70.1 | 28% | 0.279 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 173.5 | -63.1 | -167.5 | -61.8 | -130.5 | 14 | 110.7 | D40 G67 T68 F74 L75 N76 | D40-R72 IonicContact OD1-CZ 2.77Å; D40-R72 IonicContact OD1-NH1 3.6Å; D40-R72 PolarHBondContact OD1-NH1 2.65Å; D40-R72 IonicContact OD2-NH1 2.7Å; D40-R72 PolarHBondContact OD2-NH1 3.3Å; G67-R72 PolarHBondContact O-NH1 3.09Å; T68-R72 PolarHBondContact O-N 3.24Å; R72-F74 VanDerWaalsContact C-N 3.34Å; R72-F74 PolarHBondContact O-N 3.5Å; R72-L75 PolarHBondContact O-N 3.05Å; R72-N76 VanDerWaalsContact O-CB 3.3Å; R72-N76 WeakPolarHBondContact O-CB 3.46Å; R72-N76 VanDerWaalsContact O-CG 3.23Å; R72-N76 PolarHBondContact O-N 3.22Å |
| 73 | M | 88.8 | Confident | 88.4 | Confident | 126 Ų | 126 | 70.2 Ų | 70.2 | 62% | 0.621 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | 173.6 | -73.7 | -71.2 | -82.2 | 0 | 0 | 113.2 | E69 G71 S77 | E69-M73 WeakPolarHBondContact O-CB 3.3Å; E69-M73 WeakPolarHBondContact O-CG 3.48Å; E69-M73 PolarHBondContact O-N 3.37Å; G71-M73 VanDerWaalsContact C-N 3.34Å; G71-M73 PolarHBondContact O-N 3.45Å; M73-S77 VanDerWaalsContact O-CB 3.27Å; M73-S77 WeakPolarHBondContact O-CB 3.36Å; M73-S77 PolarHBondContact O-N 3.2Å; M73-S77 PolarHBondContact O-OG 3.41Å |
| 74 | F | 91.8 | Very high | 88.6 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.6 | -50.6 | 174.2 | 173.2 | -95 | 0 | 0 | 0 | 111.7 | K70 G71 R72 N76 S77 R78 I81 | K70-F74 WeakPolarHBondContact O-CB 3.38Å; K70-F74 PolarHBondContact O-N 3.45Å; G71-F74 WeakPolarHBondContact O-CB 3.38Å; G71-F74 PolarHBondContact O-N 3.24Å; G71-F74 VanDerWaalsContact O-N 3.17Å; R72-F74 VanDerWaalsContact C-N 3.34Å; R72-F74 PolarHBondContact O-N 3.5Å; F74-N76 PolarHBondContact O-N 2.93Å; F74-S77 PolarHBondContact O-N 3.35Å; F74-S77 PolarHBondContact O-OG 3.23Å; F74-R78 PolarHBondContact O-N 3.09Å; F74-I81 HydrophobicContact CE1-CD1 4.26Å; F74-I81 HydrophobicContact CZ-CD1 4.44Å |
| 75 | L | 90.4 | Very high | 88.6 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.052 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 176.7 | -76.5 | 177.8 | 0 | 0 | 0 | 112.3 | A54 V56 A65 G71 R72 S77 R78 I81 Q82 | A54-L75 HydrophobicContact CB-CD1 3.46Å; A54-L75 VanDerWaalsContact CB-CD1 3.46Å; A54-L75 HydrophobicContact CB-CG 3.63Å; V56-L75 HydrophobicContact CG2-CD1 3.65Å; V56-L75 HydrophobicContact CG2-CD2 3.75Å; V56-L75 HydrophobicContact CG2-CG 4.33Å; A65-L75 HydrophobicContact CB-CD1 4.35Å; G71-L75 PolarHBondContact O-N 3.29Å; R72-L75 PolarHBondContact O-N 3.05Å; L75-S77 VanDerWaalsContact C-N 3.33Å; L75-R78 CarbonylContact O-C 3.57Å; L75-R78 PolarHBondContact O-N 2.86Å; L75-R78 VanDerWaalsContact O-N 3.09Å; L75-I81 HydrophobicContact CD2-CG2 4.24Å; L75-Q82 PolarHBondContact O-NE2 2.97Å |
| 76 | N | 85.2 | Confident | 88.4 | Confident | 88 Ų | 88 | 74.8 Ų | 74.8 | 47% | 0.471 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71.6 | -29.6 | -179.5 | -69 | -7.8 | 0 | 0 | 0 | 111.9 | R72 F74 R78 Q82 | R72-N76 VanDerWaalsContact O-CB 3.3Å; R72-N76 WeakPolarHBondContact O-CB 3.46Å; R72-N76 VanDerWaalsContact O-CG 3.23Å; R72-N76 PolarHBondContact O-N 3.22Å; F74-N76 PolarHBondContact O-N 2.93Å; N76-R78 PolarHBondContact O-N 3.24Å; N76-Q82 PolarHBondContact OD1-NE2 3Å |
| 77 | S | 89.9 | Confident | 88.1 | Confident | 86 Ų | 86 | 80.1 Ų | 80.1 | 60% | 0.601 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.1 | -17.9 | 169.3 | 77.9 | 0 | 0 | 0 | 0 | 113.9 | M73 F74 L75 | M73-S77 VanDerWaalsContact O-CB 3.27Å; M73-S77 WeakPolarHBondContact O-CB 3.36Å; M73-S77 PolarHBondContact O-N 3.2Å; M73-S77 PolarHBondContact O-OG 3.41Å; F74-S77 PolarHBondContact O-N 3.35Å; F74-S77 PolarHBondContact O-OG 3.23Å; L75-S77 VanDerWaalsContact C-N 3.33Å |
| 78 | R | 88.9 | Confident | 87.8 | Confident | 112 Ų | 112 | 86.9 Ų | 86.9 | 42% | 0.423 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | 63.7 | -177 | -65 | -170 | -177.5 | -157.8 | 1.2 | 111.8 | F74 L75 N76 E80 I81 | F74-R78 PolarHBondContact O-N 3.09Å; L75-R78 CarbonylContact O-C 3.57Å; L75-R78 PolarHBondContact O-N 2.86Å; L75-R78 VanDerWaalsContact O-N 3.09Å; N76-R78 PolarHBondContact O-N 3.24Å; R78-E80 HydrophobicContact CB-CG 4.13Å; R78-E80 PolarHBondContact O-N 3.03Å; R78-E80 VanDerWaalsContact O-N 3.08Å; R78-I81 HydrophobicContact CB-CD1 3.83Å; R78-I81 HydrophobicContact CB-CG1 4.06Å; R78-I81 HydrophobicContact CG-CD1 4.39Å; R78-I81 WeakPolarHBondContact O-CB 3.44Å; R78-I81 PolarHBondContact O-N 3.36Å |
| 79 | R | 85.9 | Confident | 87.3 | Confident | 190 Ų | 190 | 89.4 Ų | 89.4 | 72% | 0.717 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59 | -19.6 | 176.4 | -62.5 | -163.2 | -58.4 | 150.8 | 2.8 | 113.6 | I81 Q82 T83 | R79-I81 VanDerWaalsContact C-N 3.35Å; R79-I81 PolarHBondContact O-N 3.18Å; R79-Q82 PolarHBondContact O-N 3.11Å; R79-T83 VanDerWaalsContact O-CB 3.28Å; R79-T83 WeakPolarHBondContact O-CB 3.49Å; R79-T83 PolarHBondContact O-N 3.24Å; R79-T83 PolarHBondContact O-OG1 2.89Å |
| 80 | E | 88.2 | Confident | 86.7 | Confident | 113 Ų | 113 | 88 Ų | 88 | 53% | 0.528 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -50.7 | -49.2 | 165.4 | 63.3 | -136.2 | -152.7 | 0 | 0 | 112.4 | R78 Q82 T83 D84 | R78-E80 HydrophobicContact CB-CG 4.13Å; R78-E80 PolarHBondContact O-N 3.03Å; R78-E80 VanDerWaalsContact O-N 3.08Å; E80-Q82 PolarHBondContact O-N 2.94Å; E80-T83 PolarHBondContact O-N 2.96Å; E80-D84 WeakPolarHBondContact O-CB 3.5Å; E80-D84 PolarHBondContact O-N 2.94Å |
| 81 | I | 89.6 | Confident | 85.2 | Confident | 64 Ų | 64 | 84 Ų | 84 | 33% | 0.328 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | -179.4 | -61.5 | 176.8 | 0 | 0 | 0 | 110.6 | F74 L75 R78 R79 T83 F85 | F74-I81 HydrophobicContact CE1-CD1 4.26Å; F74-I81 HydrophobicContact CZ-CD1 4.44Å; L75-I81 HydrophobicContact CD2-CG2 4.24Å; R78-I81 HydrophobicContact CB-CD1 3.83Å; R78-I81 HydrophobicContact CB-CG1 4.06Å; R78-I81 HydrophobicContact CG-CD1 4.39Å; R78-I81 WeakPolarHBondContact O-CB 3.44Å; R78-I81 PolarHBondContact O-N 3.36Å; R79-I81 VanDerWaalsContact C-N 3.35Å; R79-I81 PolarHBondContact O-N 3.18Å; I81-T83 VanDerWaalsContact C-N 3.33Å; I81-F85 VanDerWaalsContact O-CB 3.22Å; I81-F85 WeakPolarHBondContact O-CB 3.17Å; I81-F85 PolarHBondContact O-N 3.35Å |
| 82 | Q | 87.4 | Confident | 83.2 | Confident | 24 Ų | 24 | 88.5 Ų | 88.5 | 11% | 0.112 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 177.7 | -58 | -169 | 39.9 | 0 | 0 | 111.3 | V56 V63 L75 N76 R79 E80 Y86 | V56-Q82 HydrophobicContact CG2-CG 4.22Å; V63-Q82 HydrophobicContact CG1-CB 4.18Å; L75-Q82 PolarHBondContact O-NE2 2.97Å; N76-Q82 PolarHBondContact OD1-NE2 3Å; R79-Q82 PolarHBondContact O-N 3.11Å; E80-Q82 PolarHBondContact O-N 2.94Å; Q82-Y86 VanDerWaalsContact O-CB 3.29Å; Q82-Y86 WeakPolarHBondContact O-CB 3.47Å; Q82-Y86 PolarHBondContact O-N 2.86Å |
| 83 | T | 85.1 | Confident | 81 | Confident | 65 Ų | 65 | 89.8 Ų | 89.8 | 40% | 0.399 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -72.3 | -40.1 | -178.7 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | R79 E80 I81 Y86 K87 | R79-T83 VanDerWaalsContact O-CB 3.28Å; R79-T83 WeakPolarHBondContact O-CB 3.49Å; R79-T83 PolarHBondContact O-N 3.24Å; R79-T83 PolarHBondContact O-OG1 2.89Å; E80-T83 PolarHBondContact O-N 2.96Å; I81-T83 VanDerWaalsContact C-N 3.33Å; T83-Y86 PolarHBondContact O-N 3.11Å; T83-K87 VanDerWaalsContact O-CG 3.31Å; T83-K87 WeakPolarHBondContact O-CG 3.47Å; T83-K87 PolarHBondContact O-N 2.72Å |
| 84 | D | 86.9 | Confident | 78.8 | Confident | 83 Ų | 83 | 89.9 Ų | 89.9 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -76.5 | -32.4 | 179.1 | -67.9 | -20.1 | 0 | 0 | 0 | 111.8 | E80 K87 F88 | E80-D84 WeakPolarHBondContact O-CB 3.5Å; E80-D84 PolarHBondContact O-N 2.94Å; D84-K87 PolarHBondContact O-N 2.8Å; D84-K87 IonicContact OD1-NZ 3.3Å; D84-K87 PolarHBondContact OD1-NZ 3.33Å; D84-F88 VanDerWaalsContact O-CB 3.29Å; D84-F88 WeakPolarHBondContact O-CB 3.08Å; D84-F88 PolarHBondContact O-N 3.2Å |
| 85 | F | 87.4 | Confident | 76.4 | Confident | 84 Ų | 84 | 93.5 Ų | 93.5 | 37% | 0.368 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 167.6 | -170.6 | -108.6 | 0 | 0 | 0 | 111.8 | V56 V58 I81 F88 C89 | V56-F85 HydrophobicContact CB-CD1 3.95Å; V56-F85 HydrophobicContact CB-CE1 4.3Å; V56-F85 HydrophobicContact CG1-CD1 3.66Å; V56-F85 HydrophobicContact CG1-CE1 4.28Å; V58-F85 HydrophobicContact CG2-CD1 3.81Å; V58-F85 HydrophobicContact CG2-CE1 4.01Å; I81-F85 VanDerWaalsContact O-CB 3.22Å; I81-F85 WeakPolarHBondContact O-CB 3.17Å; I81-F85 PolarHBondContact O-N 3.35Å; F85-F88 CarbonylContact O-C 3.17Å; F85-F88 WeakPolarHBondContact O-CB 3.41Å; F85-F88 PolarHBondContact O-N 2.64Å; F85-F88 VanDerWaalsContact O-N 3.17Å; F85-C89 PolarHBondContact O-N 2.99Å; F85-C89 PolarHBondContact O-SG 3.37Å; F85-C89 VanDerWaalsContact O-SG 3.33Å |
| 86 | Y | 85.9 | Confident | 73.7 | Confident | 53 Ų | 53 | 98.2 Ų | 98.2 | 21% | 0.208 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -60 | -45.9 | 172.8 | 174.4 | -104.9 | 0 | 0 | 0 | 112.7 | V58 D61 V63 Q82 T83 F88 C89 R90 | V58-Y86 HydrophobicContact CG1-CD2 3.73Å; V58-Y86 HydrophobicContact CG1-CE2 4.22Å; D61-Y86 PolarHBondContact OD1-OH 2.95Å; V63-Y86 HydrophobicContact CG2-CD2 3.71Å; V63-Y86 HydrophobicContact CG2-CG 3.99Å; Q82-Y86 VanDerWaalsContact O-CB 3.29Å; Q82-Y86 WeakPolarHBondContact O-CB 3.47Å; Q82-Y86 PolarHBondContact O-N 2.86Å; T83-Y86 PolarHBondContact O-N 3.11Å; Y86-F88 VanDerWaalsContact C-N 3.33Å; Y86-F88 PolarHBondContact O-N 3.14Å; Y86-C89 PolarHBondContact O-N 3.16Å; Y86-R90 PolarHBondContact O-N 3.46Å; Y86-R90 VanDerWaalsContact O-N 3.1Å; Y86-R90 PolarHBondContact OH-NE 3.27Å |
| 87 | K | 84.2 | Confident | 71.4 | Confident | 118 Ų | 118 | 101 Ų | 101 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.3 | -45.5 | 171 | -71.6 | 169.1 | -167 | 156.3 | 0 | 111.2 | T83 D84 C89 R90 A91 | T83-K87 VanDerWaalsContact O-CG 3.31Å; T83-K87 WeakPolarHBondContact O-CG 3.47Å; T83-K87 PolarHBondContact O-N 2.72Å; D84-K87 PolarHBondContact O-N 2.8Å; D84-K87 IonicContact OD1-NZ 3.3Å; D84-K87 PolarHBondContact OD1-NZ 3.33Å; K87-C89 VanDerWaalsContact C-N 3.35Å; K87-C89 PolarHBondContact O-N 3.24Å; K87-R90 PolarHBondContact O-N 3.13Å; K87-A91 VanDerWaalsContact O-CB 3.32Å; K87-A91 WeakPolarHBondContact O-CB 3.44Å; K87-A91 PolarHBondContact O-N 3.07Å |
| 88 | F | 83.4 | Confident | 68.7 | Low | 143 Ų | 143 | 103.2 Ų | 103.2 | 63% | 0.627 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.9 | -37.3 | 178.6 | 177.8 | -96 | 0 | 0 | 0 | 112.5 | D84 F85 Y86 P92 | D84-F88 VanDerWaalsContact O-CB 3.29Å; D84-F88 WeakPolarHBondContact O-CB 3.08Å; D84-F88 PolarHBondContact O-N 3.2Å; F85-F88 CarbonylContact O-C 3.17Å; F85-F88 WeakPolarHBondContact O-CB 3.41Å; F85-F88 PolarHBondContact O-N 2.64Å; F85-F88 VanDerWaalsContact O-N 3.17Å; Y86-F88 VanDerWaalsContact C-N 3.33Å; Y86-F88 PolarHBondContact O-N 3.14Å; F88-P92 WeakPolarHBondContact O-CD 3.45Å |
| 89 | C | 79.3 | Confident | 66.1 | Low | 59 Ų | 59 | 102 Ų | 102 | 40% | 0.399 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 173.5 | -69.1 | 0 | 0 | 0 | 0 | 112.9 | V58 F85 Y86 K87 | V58-C89 HydrophobicContact CB-CB 4.49Å; V58-C89 HydrophobicContact CG1-CB 4.23Å; F85-C89 PolarHBondContact O-N 2.99Å; F85-C89 PolarHBondContact O-SG 3.37Å; F85-C89 VanDerWaalsContact O-SG 3.33Å; Y86-C89 PolarHBondContact O-N 3.16Å; K87-C89 VanDerWaalsContact C-N 3.35Å; K87-C89 PolarHBondContact O-N 3.24Å |
| 90 | R | 74.6 | Confident | 63.5 | Low | 124 Ų | 124 | 99.3 Ų | 99.3 | 47% | 0.468 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -81.7 | -29.9 | 176.2 | -88.3 | -179.6 | 162.6 | -112.5 | 5.2 | 114.2 | D61 Y86 K87 C93 | D61-R90 IonicContact OD1-CZ 3.66Å; D61-R90 IonicContact OD1-NE 2.76Å; D61-R90 PolarHBondContact OD1-NE 3.44Å; D61-R90 IonicContact OD1-NH2 2.73Å; D61-R90 PolarHBondContact OD1-NH2 2.94Å; D61-R90 IonicContact OD2-NH2 2.72Å; Y86-R90 PolarHBondContact O-N 3.46Å; Y86-R90 VanDerWaalsContact O-N 3.1Å; Y86-R90 PolarHBondContact OH-NE 3.27Å; K87-R90 PolarHBondContact O-N 3.13Å; R90-C93 WeakPolarHBondContact O-CB 3.46Å; R90-C93 PolarHBondContact O-N 3.05Å; R90-C93 VanDerWaalsContact O-N 3.15Å |
| 91 | A | 55.4 | Low | 60.6 | Low | 47 Ų | 47 | 101.3 Ų | 101.3 | 39% | 0.388 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -57.4 | -40.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K87 C93 L94 | K87-A91 VanDerWaalsContact O-CB 3.32Å; K87-A91 WeakPolarHBondContact O-CB 3.44Å; K87-A91 PolarHBondContact O-N 3.07Å; A91-C93 PolarHBondContact O-N 3.22Å; A91-C93 VanDerWaalsContact O-N 3.11Å; A91-L94 PolarHBondContact O-N 3.47Å |
| 92 | P | 48.8 | Very low | 57.5 | Low | 98 Ų | 98 | 104.3 Ų | 104.3 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -62 | -18.5 | 178.5 | -25.9 | 35.3 | 0 | 0 | 0 | 114.9 | F88 | F88-P92 WeakPolarHBondContact O-CD 3.45Š|
| 93 | C | 44.1 | Very low | 54.5 | Low | 101 Ų | 101 | 111.6 Ų | 111.6 | 68% | 0.682 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -85 | -16.9 | -174.3 | -159.8 | 0 | 0 | 0 | 0 | 113.6 | R90 A91 | R90-C93 WeakPolarHBondContact O-CB 3.46Å; R90-C93 PolarHBondContact O-N 3.05Å; R90-C93 VanDerWaalsContact O-N 3.15Å; A91-C93 PolarHBondContact O-N 3.22Å; A91-C93 VanDerWaalsContact O-N 3.11Å |
| 94 | L | 43.4 | Very low | 51.8 | Low | 128 Ų | 128 | 115.8 Ų | 115.8 | 67% | 0.67 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -4.5 | -171.6 | -91.8 | 166.5 | 0 | 0 | 0 | 115.9 | A91 | A91-L94 PolarHBondContact O-N 3.47Š|
| 95 | Q | 39.8 | Very low | 49 | Very low | 174 Ų | 174 | 120 Ų | 120 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -98 | -0.1 | -177.8 | -67.2 | -172.5 | -12.2 | 0 | 0 | 115 | ||
| 96 | S | 33.9 | Very low | 46.2 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -112.9 | 20.5 | -177.5 | -168.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 97 | L | 36.4 | Very low | 43.5 | Very low | 146 Ų | 146 | 127.4 Ų | 127.4 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -128.6 | 8.8 | -175.4 | -82.9 | 167.9 | 0 | 0 | 0 | 115.4 | ||
| 98 | T | 33.4 | Very low | 40.8 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -130.7 | 24.1 | -174.2 | 24.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 99 | A | 35.8 | Very low | 37.9 | Very low | 86 Ų | 86 | 128.2 Ų | 128.2 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -136.7 | 153.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 100 | V | 29.8 | Very low | 35.5 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | 68.6 | 84.2 | -176.5 | -167.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 101 | N | 27.6 | Very low | 34.3 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | -174.7 | 99.3 | 119.3 | -97.3 | -22.6 | 0 | 0 | 0 | 112.8 | |||||
| 102 | T | 24.3 | Very low | 32.8 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -143.6 | 141.1 | 155.9 | 47.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 103 | H | 24.5 | Very low | 31.8 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | 69.9 | 81.4 | 172.8 | -53.6 | -69.1 | 0 | 0 | 0 | 119.4 | ||||
| 104 | T | 29.2 | Very low | 31.1 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 95% | 0.945 | 80% | 0.798 | S | S | * | * | -129.6 | 166.9 | 112.5 | 16.8 | 0 | 0 | 0 | 0 | 109 | |||||
| 105 | K | 28.6 | Very low | 30.2 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 74% | 0.739 | 81% | 0.809 | S | S | * | * | trans | -133.5 | 162.5 | -162.7 | -157.7 | -174.5 | 166.8 | -89.4 | 0 | 111.1 | ||||
| 106 | D | 27.4 | Very low | 29.8 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 62% | 0.62 | 81% | 0.806 | S | S | * | * | trans | 71.7 | 146.9 | 172.2 | -45.5 | -47.4 | 0 | 0 | 0 | 113.5 | ||||
| 107 | Q | 28.6 | Very low | 29.6 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | cis | -148.2 | 134.4 | 11.6 | -152.7 | 164.1 | 95.3 | 0 | 0 | 112.7 | ||||
| 108 | E | 27.6 | Very low | 29.1 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | trans | 18.7 | 135.1 | 147.1 | -142.4 | 162 | 124.1 | 0 | 0 | 123 | ||||
| 109 | G | 24.3 | Very low | 28.9 | Very low | 77 Ų | 77 | 146 Ų | 146 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 172.4 | 115 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 110 | D | 27.1 | Very low | 28.7 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -93 | 168.3 | -166.4 | -130.3 | 23.5 | 0 | 0 | 0 | 114.4 | ||||
| 111 | P | 49.4 | Very low | 28.6 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | trans | -103.9 | 172.4 | -157.8 | 40.7 | -39.2 | 0 | 0 | 0 | 116.1 | ||||
| 112 | I | 24.1 | Very low | 29.2 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 91% | 0.908 | 82% | 0.818 | S | S | * | * | trans | -151.1 | 162 | 160.9 | -108.1 | 149.8 | 0 | 0 | 0 | 112.4 | ||||
| 113 | K | 29 | Very low | 29.4 | Very low | 184 Ų | 184 | 154.4 Ų | 154.4 | 80% | 0.8 | 83% | 0.825 | S | S | * | * | trans | -98.3 | 163.3 | -165.9 | -61.5 | 174 | 177.9 | 172.6 | 0 | 114.9 | ||||
| 114 | L | 29.5 | Very low | 30.2 | Very low | 163 Ų | 163 | 157.9 Ų | 157.9 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | 61.5 | 125 | 145.5 | -105.5 | 72.9 | 0 | 0 | 0 | 119.9 | ||||
| 115 | S | 23.6 | Very low | 30.5 | Very low | 128 Ų | 128 | 154.9 Ų | 154.9 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | -174.3 | -166.9 | 110.2 | 48 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 116 | K | 32.6 | Very low | 31.2 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 76% | 0.757 | 82% | 0.819 | S | S | * | * | trans | -138.2 | 142.7 | -153.4 | 166.5 | -178.9 | 169.6 | -178.4 | 0 | 112.9 | ||||
| 117 | D | 29.2 | Very low | 32.1 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 78% | 0.781 | 83% | 0.827 | S | S | * | * | trans | 59.4 | 135.5 | 167.6 | -64.2 | -26.2 | 0 | 0 | 0 | 119.1 | ||||
| 118 | G | 25.2 | Very low | 32.7 | Very low | 82 Ų | 82 | 147.8 Ų | 147.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 167.9 | 80.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 119 | E | 29.1 | Very low | 33.7 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | -90.5 | 156 | -170.6 | -158.1 | -174.2 | -169.5 | 0 | 0 | 113.2 | ||||
| 120 | H | 33 | Very low | 35.1 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 89.6 | 81.9 | 169.7 | -59.6 | 82.5 | 0 | 0 | 0 | 119.3 | ||||
| 121 | A | 27.4 | Very low | 36.5 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -133.2 | 129.5 | 140.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 122 | K | 39.8 | Very low | 37.5 | Very low | 211 Ų | 211 | 140.5 Ų | 140.5 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | trans | -79.8 | 119.9 | -178.2 | -67.9 | 173.3 | -179.5 | 170.2 | 0 | 111.1 | ||||
| 123 | Q | 28.8 | Very low | 40.4 | Very low | 200 Ų | 200 | 132.9 Ų | 132.9 | 94% | 0.935 | 72% | 0.722 | S | S | * | * | trans | -135.4 | 142.7 | 145.7 | -75.6 | -157.8 | -9.1 | 0 | 0 | 111.6 | ||||
| 124 | R | 41.3 | Very low | 43.1 | Very low | 250 Ų | 250 | 130.8 Ų | 130.8 | 94% | 0.943 | 71% | 0.713 | S | S | * | * | trans | -119.6 | 111.7 | -177.1 | 165.2 | -159 | -85.3 | 159 | -11.2 | 107.3 | ||||
| 125 | A | 34.1 | Very low | 45.9 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 74% | 0.744 | 70% | 0.695 | S | S | * | * | trans | -164.2 | 160.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 126 | P | 44.2 | Very low | 49 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | -133 | 167.9 | -51.4 | 38 | -25.4 | 0 | 0 | 0 | 112.4 | |||||
| 127 | S | 46.9 | Very low | 51.8 | Low | 113 Ų | 113 | 117.6 Ų | 117.6 | 79% | 0.79 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -65.3 | 132 | 157.3 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | P129 | S127-P129 WeakPolarHBondContact O-CD 3.34Å; S127-P129 VanDerWaalsContact O-N 3.16Å |
| 128 | D | 41.4 | Very low | 54.7 | Low | 98 Ų | 98 | 116 Ų | 116 | 52% | 0.524 | 62% | 0.623 | S | S | . | * | trans | -55.1 | 112.9 | -169.6 | 176.2 | 36 | 0 | 0 | 0 | 114 | Q130 S131 | D128-Q130 VanDerWaalsContact C-N 3.31Å; D128-Q130 WeakPolarHBondContact OD1-CB 3.43Å; D128-Q130 PolarHBondContact OD1-N 2.94Å; D128-S131 PolarHBondContact OD2-N 3.34Å | ||
| 129 | P | 48 | Very low | 57.8 | Low | 76 Ų | 76 | 116.7 Ų | 116.7 | 49% | 0.494 | 61% | 0.606 | S | S | . | * | trans | -76.2 | -17.7 | 174.8 | -13.5 | 30.9 | 0 | 0 | 0 | 113.5 | S127 S131 N132 V133 | S127-P129 WeakPolarHBondContact O-CD 3.34Å; S127-P129 VanDerWaalsContact O-N 3.16Å; P129-S131 PolarHBondContact O-N 3.04Å; P129-N132 PolarHBondContact O-N 2.88Å; P129-V133 WeakPolarHBondContact O-CG2 3.01Å; P129-V133 PolarHBondContact O-N 3.43Å | ||
| 130 | Q | 53.1 | Low | 60.9 | Low | 150 Ų | 150 | 108.7 Ų | 108.7 | 70% | 0.701 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.1 | -34.8 | -162.1 | -162.7 | 148.6 | -76.6 | 0 | 0 | 113 | D128 V133 F134 | D128-Q130 VanDerWaalsContact C-N 3.31Å; D128-Q130 WeakPolarHBondContact OD1-CB 3.43Å; D128-Q130 PolarHBondContact OD1-N 2.94Å; Q130-V133 PolarHBondContact O-N 2.74Å; Q130-F134 PolarHBondContact O-N 3.17Å |
| 131 | S | 56.1 | Low | 63.8 | Low | 63 Ų | 63 | 105.2 Ų | 105.2 | 44% | 0.441 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -55.6 | -51 | 171.2 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | D128 P129 V133 F134 V135 | D128-S131 PolarHBondContact OD2-N 3.34Å; P129-S131 PolarHBondContact O-N 3.04Å; S131-V133 PolarHBondContact O-N 2.9Å; S131-F134 PolarHBondContact O-N 2.81Å; S131-V135 PolarHBondContact O-N 3.3Å; S131-V135 VanDerWaalsContact O-N 3.08Å |
| 132 | N | 70.3 | Confident | 66.9 | Low | 106 Ų | 106 | 105 Ų | 105 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 177.9 | -72.2 | -61.7 | 0 | 0 | 0 | 111.9 | P129 F134 V135 L136 | P129-N132 PolarHBondContact O-N 2.88Å; N132-F134 VanDerWaalsContact C-N 3.35Å; N132-F134 PolarHBondContact O-N 3.26Å; N132-V135 PolarHBondContact O-N 3.12Å; N132-L136 WeakPolarHBondContact O-CB 3.34Å; N132-L136 VanDerWaalsContact O-CG 3.28Å; N132-L136 WeakPolarHBondContact O-CG 3.33Å; N132-L136 PolarHBondContact O-N 2.92Å |
| 133 | V | 85.9 | Confident | 69.4 | Low | 17 Ų | 17 | 96.8 Ų | 96.8 | 10% | 0.103 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 175.6 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | P129 Q130 S131 L136 R137 T191 | P129-V133 WeakPolarHBondContact O-CG2 3.01Å; P129-V133 PolarHBondContact O-N 3.43Å; Q130-V133 PolarHBondContact O-N 2.74Å; S131-V133 PolarHBondContact O-N 2.9Å; V133-L136 PolarHBondContact O-N 3.21Å; V133-R137 HydrophobicContact CG1-CG 4.37Å; V133-R137 WeakPolarHBondContact O-CB 3.31Å; V133-R137 VanDerWaalsContact O-CG 3.24Å; V133-R137 WeakPolarHBondContact O-CG 3.49Å; V133-R137 PolarHBondContact O-N 2.85Å; V133-T191 HydrophobicContact CG2-CG2 3.92Å; V133-T191 WeakPolarHBondContact CG2-OG1 3.46Å |
| 134 | F | 86.4 | Confident | 72.5 | Confident | 141 Ų | 141 | 87.3 Ų | 87.3 | 62% | 0.618 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 177.1 | 179.8 | -96.4 | 0 | 0 | 0 | 112.4 | Q130 S131 N132 R137 K138 | Q130-F134 PolarHBondContact O-N 3.17Å; S131-F134 PolarHBondContact O-N 2.81Å; N132-F134 VanDerWaalsContact C-N 3.35Å; N132-F134 PolarHBondContact O-N 3.26Å; F134-R137 PolarHBondContact O-N 3.27Å; F134-K138 PolarHBondContact O-N 3.11Å |
| 135 | V | 86.8 | Confident | 74.9 | Confident | 78 Ų | 78 | 76.3 Ų | 76.3 | 47% | 0.473 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | S131 N132 R137 K138 M139 | S131-V135 PolarHBondContact O-N 3.3Å; S131-V135 VanDerWaalsContact O-N 3.08Å; N132-V135 PolarHBondContact O-N 3.12Å; V135-R137 PolarHBondContact O-N 3.13Å; V135-K138 PolarHBondContact O-N 2.85Å; V135-M139 HydrophobicContact CG1-CG 4.39Å; V135-M139 HydrophobicContact CG1-SD 3.95Å; V135-M139 WeakPolarHBondContact O-CG 3.43Å; V135-M139 PolarHBondContact O-N 3.38Å |
| 136 | L | 89.3 | Confident | 77.7 | Confident | 23 Ų | 23 | 75.4 Ų | 75.4 | 12% | 0.12 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 179.7 | -70.1 | 170.3 | 0 | 0 | 0 | 112.8 | N132 V133 M139 V140 T191 L194 M195 L198 | N132-L136 WeakPolarHBondContact O-CB 3.34Å; N132-L136 VanDerWaalsContact O-CG 3.28Å; N132-L136 WeakPolarHBondContact O-CG 3.33Å; N132-L136 PolarHBondContact O-N 2.92Å; V133-L136 PolarHBondContact O-N 3.21Å; L136-M139 PolarHBondContact O-N 3.3Å; L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 2.83Å; L136-V140 VanDerWaalsContact O-N 3.08Å; L136-T191 HydrophobicContact CD1-CG2 3.75Å; L136-L194 HydrophobicContact CB-CB 4.11Å; L136-L194 HydrophobicContact CB-CD1 4.14Å; L136-M195 HydrophobicContact CD1-CG 4.02Å; L136-M195 HydrophobicContact CD1-SD 3.8Å; L136-M195 HydrophobicContact CD2-CG 4.43Å; L136-M195 HydrophobicContact CD2-SD 3.45Å; L136-M195 WeakPolarHBondContact CD2-SD 3.49Å; L136-M195 HydrophobicContact CG-SD 4.29Å; L136-L198 HydrophobicContact CD2-CD1 3.64Å |
| 137 | R | 92.4 | Very high | 80 | Confident | 87 Ų | 87 | 71.6 Ų | 71.6 | 33% | 0.328 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.6 | -49.4 | 172.9 | -75.1 | 177 | 170 | 156.6 | -0.7 | 111.1 | V133 F134 V135 M139 V140 E141 P186 S187 L194 | V133-R137 HydrophobicContact CG1-CG 4.37Å; V133-R137 WeakPolarHBondContact O-CB 3.31Å; V133-R137 VanDerWaalsContact O-CG 3.24Å; V133-R137 WeakPolarHBondContact O-CG 3.49Å; V133-R137 PolarHBondContact O-N 2.85Å; F134-R137 PolarHBondContact O-N 3.27Å; V135-R137 PolarHBondContact O-N 3.13Å; R137-M139 PolarHBondContact O-N 3.02Å; R137-V140 PolarHBondContact O-N 2.86Å; R137-E141 WeakPolarHBondContact O-CB 3.19Å; R137-E141 PolarHBondContact O-N 3.36Å; R137-P186 HydrophobicContact CB-CB 4.22Å; R137-P186 WeakPolarHBondContact CG-O 3.42Å; R137-P186 VanDerWaalsContact O-CB 3.3Å; R137-P186 WeakPolarHBondContact O-CB 3.18Å; R137-S187 PolarHBondContact NH2-O 3.32Å; R137-S187 VanDerWaalsContact NH2-O 3.08Å; R137-L194 HydrophobicContact CG-CD1 3.54Å; R137-L194 HydrophobicContact CG-CD2 4.26Å |
| 138 | K | 90.3 | Very high | 82.1 | Confident | 111 Ų | 111 | 67.4 Ų | 67.4 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 179.9 | -170.3 | 166.2 | -174.8 | 171.2 | 0 | 112.5 | F134 V135 V140 E141 E142 | F134-K138 PolarHBondContact O-N 3.11Å; V135-K138 PolarHBondContact O-N 2.85Å; K138-V140 PolarHBondContact O-N 3.38Å; K138-E141 WeakPolarHBondContact O-CB 3.49Å; K138-E141 PolarHBondContact O-N 2.94Å; K138-E142 WeakPolarHBondContact O-CG 3.13Å; K138-E142 PolarHBondContact O-N 3.48Å |
| 139 | M | 89.6 | Confident | 84.5 | Confident | 97 Ų | 97 | 63 Ų | 63 | 48% | 0.478 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 174.7 | -71.4 | 177.1 | 70.3 | 0 | 0 | 112.3 | V135 L136 R137 V143 L198 | V135-M139 HydrophobicContact CG1-CG 4.39Å; V135-M139 HydrophobicContact CG1-SD 3.95Å; V135-M139 WeakPolarHBondContact O-CG 3.43Å; V135-M139 PolarHBondContact O-N 3.38Å; L136-M139 PolarHBondContact O-N 3.3Å; R137-M139 PolarHBondContact O-N 3.02Å; M139-V143 WeakPolarHBondContact O-CG2 3.37Å; M139-V143 PolarHBondContact O-N 3.16Å; M139-L198 HydrophobicContact CB-CD1 3.92Å; M139-L198 HydrophobicContact CB-CD2 3.9Å; M139-L198 HydrophobicContact CE-CD1 4.22Å; M139-L198 HydrophobicContact SD-CD1 4.41Å |
| 140 | V | 94.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.8 | -35 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | L136 R137 K138 V143 F144 P186 Y189 L194 I197 L198 | L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 2.83Å; L136-V140 VanDerWaalsContact O-N 3.08Å; R137-V140 PolarHBondContact O-N 2.86Å; K138-V140 PolarHBondContact O-N 3.38Å; V140-V143 PolarHBondContact O-N 3.11Å; V140-F144 HydrophobicContact CG1-CD1 4.28Å; V140-F144 HydrophobicContact CG1-CD2 4.02Å; V140-F144 HydrophobicContact CG1-CE1 4.06Å; V140-F144 HydrophobicContact CG1-CE2 3.8Å; V140-F144 HydrophobicContact CG1-CG 4.27Å; V140-F144 HydrophobicContact CG1-CZ 3.82Å; V140-F144 WeakPolarHBondContact O-CB 3.22Å; V140-F144 WeakPolarHBondContact O-CG 3.32Å; V140-F144 PolarHBondContact O-N 3Å; V140-P186 HydrophobicContact CB-CB 4.41Å; V140-P186 HydrophobicContact CG1-CB 4.36Å; V140-P186 HydrophobicContact CG1-CG 4.17Å; V140-Y189 HydrophobicContact CG1-CE2 4.49Å; V140-L194 HydrophobicContact CB-CD2 3.97Å; V140-L194 HydrophobicContact CG1-CD2 4.34Å; V140-L194 HydrophobicContact CG2-CB 4.42Å; V140-L194 HydrophobicContact CG2-CD2 3.71Å; V140-I197 HydrophobicContact CG1-CD1 4.46Å; V140-I197 HydrophobicContact CG1-CG2 3.86Å; V140-I197 HydrophobicContact CG2-CB 4.27Å; V140-I197 HydrophobicContact CG2-CG2 3.98Å; V140-L198 HydrophobicContact CG2-CD1 4.21Å; V140-L198 HydrophobicContact CG2-CD2 3.7Å; V140-L198 HydrophobicContact CG2-CG 3.66Å |
| 141 | E | 93.5 | Very high | 88.1 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 176.7 | -161.1 | 161.8 | -150.5 | 0 | 0 | 112.8 | R137 K138 T145 P186 | R137-E141 WeakPolarHBondContact O-CB 3.19Å; R137-E141 PolarHBondContact O-N 3.36Å; K138-E141 WeakPolarHBondContact O-CB 3.49Å; K138-E141 PolarHBondContact O-N 2.94Å; E141-T145 VanDerWaalsContact O-CB 3.29Å; E141-T145 WeakPolarHBondContact O-CB 3.38Å; E141-T145 PolarHBondContact O-N 3.02Å; E141-T145 PolarHBondContact O-OG1 2.97Å; E141-P186 HydrophobicContact CB-CB 4.48Å; E141-P186 HydrophobicContact CB-CG 3.8Å; E141-P186 HydrophobicContact CG-CG 4.17Å |
| 142 | E | 92.5 | Very high | 89.5 | Confident | 97 Ų | 97 | 60 Ų | 60 | 45% | 0.453 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 174.9 | -63.6 | -71 | 166.9 | 0 | 0 | 111.1 | K138 F144 T145 V146 | K138-E142 WeakPolarHBondContact O-CG 3.13Å; K138-E142 PolarHBondContact O-N 3.48Å; E142-F144 PolarHBondContact O-N 3.13Å; E142-T145 PolarHBondContact O-N 2.79Å; E142-V146 WeakPolarHBondContact O-CG2 3.38Å; E142-V146 PolarHBondContact O-N 3.5Å |
| 143 | V | 92.1 | Very high | 90.1 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 178.3 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | M139 V140 T145 V146 L147 L198 | M139-V143 WeakPolarHBondContact O-CG2 3.37Å; M139-V143 PolarHBondContact O-N 3.16Å; V140-V143 PolarHBondContact O-N 3.11Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.5Å; V143-V146 PolarHBondContact O-N 3.04Å; V143-L147 HydrophobicContact CG1-CD1 3.89Å; V143-L147 WeakPolarHBondContact O-CG 3.46Å; V143-L147 PolarHBondContact O-N 3Å; V143-L198 HydrophobicContact CG2-CD2 4.24Å |
| 144 | F | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.7 | -33.6 | 177.9 | -72.7 | -0.7 | 0 | 0 | 0 | 112.4 | V140 E142 Y148 V160 Y162 L177 L183 Y189 I197 I204 F206 | V140-F144 HydrophobicContact CG1-CD1 4.28Å; V140-F144 HydrophobicContact CG1-CD2 4.02Å; V140-F144 HydrophobicContact CG1-CE1 4.06Å; V140-F144 HydrophobicContact CG1-CE2 3.8Å; V140-F144 HydrophobicContact CG1-CG 4.27Å; V140-F144 HydrophobicContact CG1-CZ 3.82Å; V140-F144 WeakPolarHBondContact O-CB 3.22Å; V140-F144 WeakPolarHBondContact O-CG 3.32Å; V140-F144 PolarHBondContact O-N 3Å; E142-F144 PolarHBondContact O-N 3.13Å; F144-Y148 VanDerWaalsContact O-CB 3.28Å; F144-Y148 WeakPolarHBondContact O-CB 3.46Å; F144-Y148 PolarHBondContact O-N 2.58Å; F144-V160 HydrophobicContact CB-CG2 4.16Å; F144-V160 WeakPolarHBondContact O-CG2 3.17Å; F144-Y162 HydrophobicContact CD2-CE1 4.29Å; F144-L177 HydrophobicContact CE1-CD2 4.33Å; F144-L177 HydrophobicContact CZ-CD2 4.05Å; F144-L183 HydrophobicContact CD2-CD1 3.57Å; F144-L183 HydrophobicContact CE2-CD1 3.44Å; F144-L183 VanDerWaalsContact CE2-CD1 3.44Å; F144-L183 HydrophobicContact CG-CD1 4.28Å; F144-L183 HydrophobicContact CZ-CD1 4.08Å; F144-Y189 AromaticContact CE2-CE2 3.87Å; F144-Y189 HydrophobicContact CE2-CE2 3.87Å; F144-Y189 HydrophobicContact CZ-CE2 4.32Å; F144-I197 HydrophobicContact CE1-CG2 3.63Å; F144-I197 HydrophobicContact CZ-CD1 4.26Å; F144-I197 HydrophobicContact CZ-CG2 3.8Å; F144-I204 HydrophobicContact CE1-CD1 4.32Å; F144-F206 HydrophobicContact CB-CE2 4.19Å; F144-F206 HydrophobicContact CB-CZ 4.08Å; F144-F206 HydrophobicContact CD1-CE1 4.47Å; F144-F206 AromaticContact CD1-CZ 3.78Å; F144-F206 HydrophobicContact CD1-CZ 3.78Å; F144-F206 HydrophobicContact CD2-CZ 4.43Å; F144-F206 HydrophobicContact CE1-CZ 4.27Å; F144-F206 HydrophobicContact CG-CE2 4.46Å; F144-F206 AromaticContact CG-CZ 3.86Å; F144-F206 HydrophobicContact CG-CZ 3.86Å |
| 145 | T | 92.3 | Very high | 89.2 | Confident | 20 Ų | 20 | 61 Ų | 61 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66 | -42.1 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | E141 E142 V143 S149 L157 | E141-T145 VanDerWaalsContact O-CB 3.29Å; E141-T145 WeakPolarHBondContact O-CB 3.38Å; E141-T145 PolarHBondContact O-N 3.02Å; E141-T145 PolarHBondContact O-OG1 2.97Å; E142-T145 PolarHBondContact O-N 2.79Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.5Å; T145-S149 WeakPolarHBondContact O-CB 3.18Å; T145-S149 PolarHBondContact O-N 2.88Å; T145-S149 PolarHBondContact O-OG 3.38Å; T145-L157 HydrophobicContact CG2-CB 4.08Å; T145-L157 HydrophobicContact CG2-CD2 4.4Å |
| 146 | V | 92.9 | Very high | 88.7 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.6 | -53.6 | 174 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | E142 V143 Y148 S149 E150 L157 | E142-V146 WeakPolarHBondContact O-CG2 3.38Å; E142-V146 PolarHBondContact O-N 3.5Å; V143-V146 PolarHBondContact O-N 3.04Å; V146-Y148 VanDerWaalsContact C-N 3.29Å; V146-Y148 PolarHBondContact O-N 3.03Å; V146-S149 WeakPolarHBondContact O-CB 3.08Å; V146-S149 PolarHBondContact O-N 3.15Å; V146-E150 PolarHBondContact O-N 3.34Å; V146-L157 HydrophobicContact CG2-CD2 3.85Å |
| 147 | L | 91.4 | Very high | 88.6 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.5 | -34.9 | -177.5 | -67.7 | 172.3 | 0 | 0 | 0 | 112.9 | V143 A151 I204 F206 | V143-L147 HydrophobicContact CG1-CD1 3.89Å; V143-L147 WeakPolarHBondContact O-CG 3.46Å; V143-L147 PolarHBondContact O-N 3Å; L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.07Å; L147-I204 HydrophobicContact CD1-CB 3.89Å; L147-I204 HydrophobicContact CD1-CG2 3.75Å; L147-I204 WeakPolarHBondContact CD2-O 3.45Å; L147-F206 HydrophobicContact CB-CD1 4.45Å; L147-F206 HydrophobicContact CB-CD2 4.08Å; L147-F206 HydrophobicContact CB-CE2 4.25Å; L147-F206 HydrophobicContact CB-CG 4.18Å |
| 148 | Y | 91.3 | Very high | 88.4 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -71.5 | -37.8 | 173.9 | -177 | -119.7 | 0 | 0 | 0 | 113 | F144 V146 E150 A151 L152 V158 V160 P161 V172 F206 | F144-Y148 VanDerWaalsContact O-CB 3.28Å; F144-Y148 WeakPolarHBondContact O-CB 3.46Å; F144-Y148 PolarHBondContact O-N 2.58Å; V146-Y148 VanDerWaalsContact C-N 3.29Å; V146-Y148 PolarHBondContact O-N 3.03Å; Y148-E150 VanDerWaalsContact C-N 3.33Å; Y148-A151 PolarHBondContact O-N 2.87Å; Y148-L152 HydrophobicContact CD1-CD1 4.17Å; Y148-L152 HydrophobicContact CD2-CG 4.5Å; Y148-L152 HydrophobicContact CE1-CD1 3.59Å; Y148-L152 HydrophobicContact CE1-CG 4.36Å; Y148-L152 HydrophobicContact CE2-CD1 4.15Å; Y148-L152 HydrophobicContact CE2-CD2 4.3Å; Y148-L152 HydrophobicContact CE2-CG 4.08Å; Y148-L152 WeakPolarHBondContact O-CG 3.37Å; Y148-L152 PolarHBondContact O-N 2.97Å; Y148-V158 HydrophobicContact CD1-CB 4.49Å; Y148-V158 HydrophobicContact CD1-CG1 4.32Å; Y148-V158 HydrophobicContact CE1-CG1 3.94Å; Y148-V160 HydrophobicContact CD1-CB 4.46Å; Y148-V160 HydrophobicContact CD1-CG2 4.26Å; Y148-V160 HydrophobicContact CG-CG2 4.24Å; Y148-P161 HydrophobicContact CE1-CG 4.12Å; Y148-P161 VanDerWaalsContact CZ-CD 3.46Å; Y148-P161 WeakPolarHBondContact OH-CG 3.48Å; Y148-V172 HydrophobicContact CD2-CG1 4.32Å; Y148-V172 HydrophobicContact CD2-CG2 4.11Å; Y148-V172 HydrophobicContact CE2-CG2 3.56Å; Y148-F206 HydrophobicContact CD2-CD2 4.47Å |
| 149 | S | 91.5 | Very high | 88.2 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.028 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 176.1 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | T145 V146 L152 G153 K154 L157 V158 | T145-S149 WeakPolarHBondContact O-CB 3.18Å; T145-S149 PolarHBondContact O-N 2.88Å; T145-S149 PolarHBondContact O-OG 3.38Å; V146-S149 WeakPolarHBondContact O-CB 3.08Å; V146-S149 PolarHBondContact O-N 3.15Å; S149-L152 PolarHBondContact O-N 3.37Å; S149-G153 PolarHBondContact O-N 3.33Å; S149-K154 PolarHBondContact O-N 3Å; S149-L157 WeakPolarHBondContact OG-CA 3.41Å; S149-V158 PolarHBondContact OG-N 3.33Å |
| 150 | E | 89.3 | Confident | 88.2 | Confident | 138 Ų | 138 | 57.8 Ų | 57.8 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.2 | -46.3 | 173.5 | -172.8 | 172.9 | -176.9 | 0 | 0 | 111.8 | V146 Y148 L152 G153 | V146-E150 PolarHBondContact O-N 3.34Å; Y148-E150 VanDerWaalsContact C-N 3.33Å; E150-L152 PolarHBondContact O-N 3.08Å; E150-G153 PolarHBondContact O-N 3.13Å |
| 151 | A | 88.6 | Confident | 87.8 | Confident | 28 Ų | 28 | 58.9 Ų | 58.9 | 23% | 0.231 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -28.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L147 Y148 F206 A208 | L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.07Å; Y148-A151 PolarHBondContact O-N 2.87Å; A151-F206 HydrophobicContact CB-CB 3.78Å; A151-F206 WeakPolarHBondContact CB-O 3.42Å; A151-A208 HydrophobicContact CB-CB 4.16Å |
| 152 | L | 85.7 | Confident | 87.5 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.6 | 172.9 | -69.2 | -178.5 | 0 | 0 | 0 | 113.9 | Y148 S149 E150 K154 V158 A208 | Y148-L152 HydrophobicContact CD1-CD1 4.17Å; Y148-L152 HydrophobicContact CD2-CG 4.5Å; Y148-L152 HydrophobicContact CE1-CD1 3.59Å; Y148-L152 HydrophobicContact CE1-CG 4.36Å; Y148-L152 HydrophobicContact CE2-CD1 4.15Å; Y148-L152 HydrophobicContact CE2-CD2 4.3Å; Y148-L152 HydrophobicContact CE2-CG 4.08Å; Y148-L152 WeakPolarHBondContact O-CG 3.37Å; Y148-L152 PolarHBondContact O-N 2.97Å; S149-L152 PolarHBondContact O-N 3.37Å; E150-L152 PolarHBondContact O-N 3.08Å; L152-K154 VanDerWaalsContact C-N 3.28Å; L152-K154 HydrophobicContact CB-CB 4.48Å; L152-K154 HydrophobicContact CB-CD 3.97Å; L152-K154 HydrophobicContact CB-CG 4.03Å; L152-K154 HydrophobicContact CD1-CD 4.05Å; L152-K154 PolarHBondContact O-N 3.25Å; L152-V158 HydrophobicContact CD1-CB 4.43Å; L152-V158 HydrophobicContact CD1-CG1 4.2Å; L152-A208 HydrophobicContact CD2-CB 3.95Å |
| 153 | G | 83.1 | Confident | 87.1 | Confident | 72 Ų | 72 | 55.1 Ų | 55.1 | 74% | 0.742 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 23.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S149 E150 | S149-G153 PolarHBondContact O-N 3.33Å; E150-G153 PolarHBondContact O-N 3.13Å |
| 154 | K | 82.7 | Confident | 86.3 | Confident | 105 Ų | 105 | 61.9 Ų | 61.9 | 46% | 0.457 | 35% | 0.348 | S | S | . | . | trans | -102.3 | 125 | -174.1 | -69.6 | 176.8 | -179.7 | 179.3 | 0 | 111.2 | S149 L152 S156 V158 | S149-K154 PolarHBondContact O-N 3Å; L152-K154 VanDerWaalsContact C-N 3.28Å; L152-K154 HydrophobicContact CB-CB 4.48Å; L152-K154 HydrophobicContact CB-CD 3.97Å; L152-K154 HydrophobicContact CB-CG 4.03Å; L152-K154 HydrophobicContact CD1-CD 4.05Å; L152-K154 PolarHBondContact O-N 3.25Å; K154-S156 PolarHBondContact O-N 3.48Å; K154-V158 HydrophobicContact CB-CG2 4.39Å; K154-V158 HydrophobicContact CD-CG2 3.61Å | ||
| 155 | S | 70.9 | Confident | 85.8 | Confident | 108 Ų | 108 | 62.3 Ų | 62.3 | 76% | 0.755 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -81 | 13.8 | 175.2 | 68.8 | 0 | 0 | 0 | 0 | 114.1 | K343 | S155-K343 PolarHBondContact OG-NZ 2.97Š|
| 156 | S | 76.3 | Confident | 85.2 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 52% | 0.517 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -119.7 | 139.3 | 172.8 | 52.2 | 0 | 0 | 0 | 0 | 108.5 | K154 V158 | K154-S156 PolarHBondContact O-N 3.48Å; S156-V158 PolarHBondContact O-N 3.37Å |
| 157 | L | 87.1 | Confident | 84.5 | Confident | 109 Ų | 109 | 72.7 Ų | 72.7 | 57% | 0.571 | 39% | 0.39 | S | S | * | . | trans | -64.2 | 118.3 | 177.7 | -63.4 | 178 | 0 | 0 | 0 | 109.9 | T145 V146 S149 | T145-L157 HydrophobicContact CG2-CB 4.08Å; T145-L157 HydrophobicContact CG2-CD2 4.4Å; V146-L157 HydrophobicContact CG2-CD2 3.85Å; S149-L157 WeakPolarHBondContact OG-CA 3.41Å | ||
| 158 | V | 86.4 | Confident | 83.9 | Confident | 34 Ų | 34 | 75.6 Ų | 75.6 | 21% | 0.206 | 41% | 0.405 | C | S | . | . | trans | -107.5 | 118.5 | 175.1 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | Y148 S149 L152 K154 S156 V160 | Y148-V158 HydrophobicContact CD1-CB 4.49Å; Y148-V158 HydrophobicContact CD1-CG1 4.32Å; Y148-V158 HydrophobicContact CE1-CG1 3.94Å; S149-V158 PolarHBondContact OG-N 3.33Å; L152-V158 HydrophobicContact CD1-CB 4.43Å; L152-V158 HydrophobicContact CD1-CG1 4.2Å; K154-V158 HydrophobicContact CB-CG2 4.39Å; K154-V158 HydrophobicContact CD-CG2 3.61Å; S156-V158 PolarHBondContact O-N 3.37Å; V158-V160 PolarHBondContact O-N 3.06Å | ||
| 159 | P | 87.3 | Confident | 83 | Confident | 103 Ų | 103 | 78.9 Ų | 78.9 | 67% | 0.669 | 43% | 0.43 | S | S | * | . | trans | -55.2 | 138.7 | 174.5 | -26.2 | 35.2 | 0 | 0 | 0 | 112.1 | P161 | P159-P161 WeakPolarHBondContact O-CD 3.42Š| ||
| 160 | V | 89.6 | Confident | 82.1 | Confident | 9 Ų | 9 | 80.2 Ų | 80.2 | 6% | 0.055 | 45% | 0.445 | C | S | . | . | trans | -70.8 | 121.6 | -178.5 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | F144 Y148 V158 Y162 I165 | F144-V160 HydrophobicContact CB-CG2 4.16Å; F144-V160 WeakPolarHBondContact O-CG2 3.17Å; Y148-V160 HydrophobicContact CD1-CB 4.46Å; Y148-V160 HydrophobicContact CD1-CG2 4.26Å; Y148-V160 HydrophobicContact CG-CG2 4.24Å; V158-V160 PolarHBondContact O-N 3.06Å; V160-Y162 VanDerWaalsContact C-N 3.26Å; V160-Y162 HydrophobicContact CB-CD1 4.47Å; V160-Y162 HydrophobicContact CB-CD2 4.16Å; V160-Y162 HydrophobicContact CB-CE1 4.03Å; V160-Y162 HydrophobicContact CB-CE2 3.72Å; V160-Y162 HydrophobicContact CG1-CD1 3.94Å; V160-Y162 HydrophobicContact CG1-CD2 4.4Å; V160-Y162 HydrophobicContact CG1-CE1 3.73Å; V160-Y162 HydrophobicContact CG1-CE2 4.24Å; V160-Y162 HydrophobicContact CG1-CG 4.27Å; V160-Y162 WeakPolarHBondContact O-CD2 3.12Å; V160-Y162 WeakPolarHBondContact O-CE2 3.18Å; V160-Y162 PolarHBondContact O-N 2.99Å; V160-I165 HydrophobicContact CG1-CD1 3.53Å | ||
| 161 | P | 86.5 | Confident | 81.6 | Confident | 23 Ų | 23 | 75.3 Ų | 75.3 | 15% | 0.149 | 43% | 0.425 | C | S | . | . | trans | -82.6 | 71.3 | -179.1 | 34.3 | -35.9 | 0 | 0 | 0 | 110.3 | Y148 P159 E163 W164 I165 | Y148-P161 HydrophobicContact CE1-CG 4.12Å; Y148-P161 VanDerWaalsContact CZ-CD 3.46Å; Y148-P161 WeakPolarHBondContact OH-CG 3.48Å; P159-P161 WeakPolarHBondContact O-CD 3.42Å; P161-E163 PolarHBondContact O-N 3.19Å; P161-E163 VanDerWaalsContact O-N 3.15Å; P161-W164 HydrophobicContact CB-CB 4.23Å; P161-W164 HydrophobicContact CB-CD2 4.05Å; P161-W164 HydrophobicContact CB-CE3 3.84Å; P161-W164 HydrophobicContact CB-CG 4.24Å; P161-W164 HydrophobicContact CG-CE3 4.15Å; P161-W164 PolarHBondContact O-N 3.26Å; P161-I165 PolarHBondContact O-N 2.83Å; P161-I165 VanDerWaalsContact O-N 3.08Å | ||
| 162 | Y | 86.1 | Confident | 81.4 | Confident | 19 Ų | 19 | 74.3 Ų | 74.3 | 8% | 0.075 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -53.6 | -36.3 | -176.5 | -61.3 | -79.7 | 0 | 0 | 0 | 112.8 | F144 V160 W164 I165 Q166 L183 K184 K185 P186 | F144-Y162 HydrophobicContact CD2-CE1 4.29Å; V160-Y162 VanDerWaalsContact C-N 3.26Å; V160-Y162 HydrophobicContact CB-CD1 4.47Å; V160-Y162 HydrophobicContact CB-CD2 4.16Å; V160-Y162 HydrophobicContact CB-CE1 4.03Å; V160-Y162 HydrophobicContact CB-CE2 3.72Å; V160-Y162 HydrophobicContact CG1-CD1 3.94Å; V160-Y162 HydrophobicContact CG1-CD2 4.4Å; V160-Y162 HydrophobicContact CG1-CE1 3.73Å; V160-Y162 HydrophobicContact CG1-CE2 4.24Å; V160-Y162 HydrophobicContact CG1-CG 4.27Å; V160-Y162 WeakPolarHBondContact O-CD2 3.12Å; V160-Y162 WeakPolarHBondContact O-CE2 3.18Å; V160-Y162 PolarHBondContact O-N 2.99Å; Y162-W164 PolarHBondContact O-N 3.07Å; Y162-I165 PolarHBondContact O-N 2.98Å; Y162-Q166 WeakPolarHBondContact O-CB 3.46Å; Y162-Q166 PolarHBondContact O-N 2.94Å; Y162-L183 HydrophobicContact CE1-CD1 4.33Å; Y162-K184 WeakPolarHBondContact CE1-O 3.26Å; Y162-K185 HydrophobicContact CD1-CG 4.09Å; Y162-K185 HydrophobicContact CD2-CD 4.47Å; Y162-K185 HydrophobicContact CD2-CG 3.63Å; Y162-K185 HydrophobicContact CE2-CG 4.26Å; Y162-K185 HydrophobicContact CG-CB 4.48Å; Y162-K185 HydrophobicContact CG-CG 3.52Å; Y162-P186 WeakPolarHBondContact OH-CD 3.43Å |
| 163 | E | 84.1 | Confident | 81.3 | Confident | 92 Ų | 92 | 74.6 Ų | 74.6 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.7 | -21.7 | 176.6 | -67.6 | 83.3 | 171.4 | 0 | 0 | 114.3 | P161 K167 K185 | P161-E163 PolarHBondContact O-N 3.19Å; P161-E163 VanDerWaalsContact O-N 3.15Å; E163-K167 WeakPolarHBondContact O-CD 3.42Å; E163-K167 WeakPolarHBondContact O-CG 3.28Å; E163-K185 WeakPolarHBondContact OE1-CE 3.33Å; E163-K185 IonicContact OE1-NZ 3.34Å; E163-K185 PolarHBondContact OE1-NZ 2.89Å; E163-K185 IonicContact OE2-NZ 3.05Å |
| 164 | W | 76.1 | Confident | 81.6 | Confident | 181 Ų | 181 | 72.5 Ų | 72.5 | 69% | 0.686 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -93.7 | -43.1 | 175.8 | -64 | -7.3 | 0 | 0 | 0 | 110.5 | P161 Y162 Q166 K167 D168 | P161-W164 HydrophobicContact CB-CB 4.23Å; P161-W164 HydrophobicContact CB-CD2 4.05Å; P161-W164 HydrophobicContact CB-CE3 3.84Å; P161-W164 HydrophobicContact CB-CG 4.24Å; P161-W164 HydrophobicContact CG-CE3 4.15Å; P161-W164 PolarHBondContact O-N 3.26Å; Y162-W164 PolarHBondContact O-N 3.07Å; W164-Q166 PolarHBondContact O-N 3.38Å; W164-K167 WeakPolarHBondContact O-CA 3.42Å; W164-K167 PolarHBondContact O-N 3.29Å; W164-D168 PolarHBondContact O-N 3.25Å |
| 165 | I | 83.6 | Confident | 81.6 | Confident | 9 Ų | 9 | 71 Ų | 71 | 5% | 0.046 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61 | -34.4 | 175.5 | -60.8 | 171 | 0 | 0 | 0 | 111.3 | V160 P161 Y162 K167 D168 P169 V172 L183 | V160-I165 HydrophobicContact CG1-CD1 3.53Å; P161-I165 PolarHBondContact O-N 2.83Å; P161-I165 VanDerWaalsContact O-N 3.08Å; Y162-I165 PolarHBondContact O-N 2.98Å; I165-K167 VanDerWaalsContact C-N 3.28Å; I165-K167 PolarHBondContact O-N 3.36Å; I165-D168 CarbonylContact O-C 3.57Å; I165-D168 VanDerWaalsContact O-C 3.31Å; I165-P169 WeakPolarHBondContact O-CA 3.5Å; I165-V172 HydrophobicContact CD1-CB 4.01Å; I165-V172 HydrophobicContact CD1-CG1 4.38Å; I165-V172 HydrophobicContact CD1-CG2 3.88Å; I165-V172 HydrophobicContact CG1-CB 4.07Å; I165-V172 HydrophobicContact CG1-CG2 3.88Å; I165-V172 HydrophobicContact CG2-CB 4.48Å; I165-L183 HydrophobicContact CD1-CD2 4.17Å; I165-L183 HydrophobicContact CG2-CD2 4.1Å |
| 166 | Q | 78.9 | Confident | 82.2 | Confident | 132 Ų | 132 | 67.6 Ų | 67.6 | 62% | 0.617 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -18.5 | 174.8 | -170.4 | 172.9 | 46.8 | 0 | 0 | 113.5 | Y162 W164 | Y162-Q166 WeakPolarHBondContact O-CB 3.46Å; Y162-Q166 PolarHBondContact O-N 2.94Å; W164-Q166 PolarHBondContact O-N 3.38Å |
| 167 | K | 78.5 | Confident | 82.8 | Confident | 178 Ų | 178 | 65.5 Ų | 65.5 | 77% | 0.774 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -35.6 | 177.9 | -71.4 | 178.8 | -176.8 | -179 | 0 | 112.9 | E163 W164 I165 | E163-K167 WeakPolarHBondContact O-CD 3.42Å; E163-K167 WeakPolarHBondContact O-CG 3.28Å; W164-K167 WeakPolarHBondContact O-CA 3.42Å; W164-K167 PolarHBondContact O-N 3.29Å; I165-K167 VanDerWaalsContact C-N 3.28Å; I165-K167 PolarHBondContact O-N 3.36Å |
| 168 | D | 77.6 | Confident | 82.7 | Confident | 84 Ų | 84 | 61 Ų | 61 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | trans | -127.8 | 90.5 | 168.5 | 177.8 | 16.6 | 0 | 0 | 0 | 110.2 | W164 I165 G170 C171 | W164-D168 PolarHBondContact O-N 3.25Å; I165-D168 CarbonylContact O-C 3.57Å; I165-D168 VanDerWaalsContact O-C 3.31Å; D168-G170 PolarHBondContact O-N 3.09Å; D168-G170 VanDerWaalsContact OD1-CA 3.29Å; D168-G170 WeakPolarHBondContact OD1-CA 3.47Å; D168-G170 PolarHBondContact OD1-N 2.95Å; D168-C171 HydrophobicContact CB-CB 4.41Å; D168-C171 PolarHBondContact O-N 3.47Å; D168-C171 PolarHBondContact O-SG 3.38Å | ||
| 169 | P | 72.9 | Confident | 82.2 | Confident | 94 Ų | 94 | 69.1 Ų | 69.1 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -11.9 | 173.5 | -24.4 | 35.5 | 0 | 0 | 0 | 114.1 | I165 | I165-P169 WeakPolarHBondContact O-CA 3.5Š|
| 170 | G | 72.3 | Confident | 81.7 | Confident | 33 Ų | 33 | 68.1 Ų | 68.1 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D168 K209 | D168-G170 PolarHBondContact O-N 3.09Å; D168-G170 VanDerWaalsContact OD1-CA 3.29Å; D168-G170 WeakPolarHBondContact OD1-CA 3.47Å; D168-G170 PolarHBondContact OD1-N 2.95Å; G170-K209 WeakPolarHBondContact O-CB 3.22Å |
| 171 | C | 79.2 | Confident | 81.5 | Confident | 34 Ų | 34 | 69 Ų | 69 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -80.2 | -29.3 | 178.7 | 78.4 | 0 | 0 | 0 | 0 | 113.2 | D168 A208 K209 | D168-C171 HydrophobicContact CB-CB 4.41Å; D168-C171 PolarHBondContact O-N 3.47Å; D168-C171 PolarHBondContact O-SG 3.38Å; C171-A208 WeakPolarHBondContact O-CA 3.4Å; C171-K209 PolarHBondContact O-N 3.4Å |
| 172 | V | 84.6 | Confident | 81.5 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 5% | 0.048 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 109.2 | 176.8 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | Y148 I165 L183 F206 | Y148-V172 HydrophobicContact CD2-CG1 4.32Å; Y148-V172 HydrophobicContact CD2-CG2 4.11Å; Y148-V172 HydrophobicContact CE2-CG2 3.56Å; I165-V172 HydrophobicContact CD1-CB 4.01Å; I165-V172 HydrophobicContact CD1-CG1 4.38Å; I165-V172 HydrophobicContact CD1-CG2 3.88Å; I165-V172 HydrophobicContact CG1-CB 4.07Å; I165-V172 HydrophobicContact CG1-CG2 3.88Å; I165-V172 HydrophobicContact CG2-CB 4.48Å; V172-L183 HydrophobicContact CG1-CD2 4.32Å; V172-F206 HydrophobicContact CG1-CB 4.07Å; V172-F206 HydrophobicContact CG1-CD2 4.18Å; V172-F206 HydrophobicContact CG1-CG 4.21Å |
| 173 | V | 84.4 | Confident | 81.6 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 120.2 | 174.5 | -175 | 0 | 0 | 0 | 0 | 109.2 | F206 T207 | V173-F206 CarbonylContact O-C 3.31Å; V173-F206 WeakPolarHBondContact O-CA 3.5Å; V173-T207 PolarHBondContact N-O 3.22Å; V173-T207 PolarHBondContact O-N 3.07Å |
| 174 | A | 87.9 | Confident | 81.7 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 22% | 0.223 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L177 L183 F206 | A174-L177 HydrophobicContact CB-CD1 3.6Å; A174-L177 HydrophobicContact CB-CG 4.3Å; A174-L183 HydrophobicContact CB-CB 4.12Å; A174-L183 HydrophobicContact CB-CD2 4.11Å; A174-F206 HydrophobicContact CB-CD1 3.65Å; A174-F206 HydrophobicContact CB-CE1 3.62Å |
| 175 | H | 84.4 | Confident | 82.4 | Confident | 73 Ų | 73 | 66.8 Ų | 66.8 | 34% | 0.338 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 155.4 | 175.3 | -55.1 | -88.5 | 0 | 0 | 0 | 110.1 | L177 I204 H205 T207 | H175-L177 VanDerWaalsContact C-N 3.27Å; H175-L177 PolarHBondContact O-N 2.92Å; H175-I204 VanDerWaalsContact O-CA 3.29Å; H175-I204 WeakPolarHBondContact O-CA 3.44Å; H175-H205 VanDerWaalsContact CB-CE1 3.41Å; H175-H205 WeakPolarHBondContact CB-CE1 3.25Å; H175-H205 WeakPolarHBondContact CB-NE2 3.42Å; H175-H205 AromaticContact CD2-CD2 3.8Å; H175-H205 AromaticContact CD2-NE2 3.83Å; H175-H205 AromaticContact CG-NE2 3.66Å; H175-H205 PolarHBondContact N-O 3.31Å; H175-H205 PolarHBondContact O-N 3.16Å; H175-H205 VanDerWaalsContact O-N 3.13Å; H175-T207 PolarHBondContact CD2-OG1 2.92Å; H175-T207 PolarHBondContact NE2-OG1 3.33Å |
| 176 | G | 82.9 | Confident | 82.8 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 73.7 | 6.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 177 | L | 87.6 | Confident | 83.2 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 152.4 | 169 | -80.2 | 167.9 | 0 | 0 | 0 | 111.4 | F144 A174 H175 V181 L183 I197 I204 | F144-L177 HydrophobicContact CE1-CD2 4.33Å; F144-L177 HydrophobicContact CZ-CD2 4.05Å; A174-L177 HydrophobicContact CB-CD1 3.6Å; A174-L177 HydrophobicContact CB-CG 4.3Å; H175-L177 VanDerWaalsContact C-N 3.27Å; H175-L177 PolarHBondContact O-N 2.92Å; L177-V181 HydrophobicContact CD2-CG1 4.45Å; L177-L183 HydrophobicContact CD1-CB 4.32Å; L177-I197 HydrophobicContact CD2-CG1 4.44Å; L177-I204 HydrophobicContact CD2-CD1 3.92Å; L177-I204 HydrophobicContact CD2-CG1 4.5Å; L177-I204 HydrophobicContact CD2-CG2 4.39Å; L177-I204 HydrophobicContact CG-CG2 4.4Å |
| 178 | P | 86.8 | Confident | 83.6 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 147.7 | 174.4 | -22.4 | 32.9 | 0 | 0 | 0 | 112.5 | G180 V181 K196 I197 H200 | P178-G180 PolarHBondContact O-N 3.48Å; P178-V181 HydrophobicContact CB-CG2 3.94Å; P178-V181 HydrophobicContact CG-CG2 4.46Å; P178-V181 VanDerWaalsContact O-CB 3.29Å; P178-V181 WeakPolarHBondContact O-CB 3.42Å; P178-V181 WeakPolarHBondContact O-CG2 3.44Å; P178-V181 PolarHBondContact O-N 2.99Å; P178-K196 HydrophobicContact CB-CB 4.39Å; P178-K196 HydrophobicContact CG-CB 4.04Å; P178-I197 HydrophobicContact CG-CG1 4.29Å; P178-H200 HydrophobicContact CG-CB 4.26Å |
| 179 | E | 76.1 | Confident | 84.3 | Confident | 205 Ų | 205 | 55.6 Ų | 55.6 | 96% | 0.958 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 127.7 | -175.4 | -169.2 | 171.9 | -159.8 | 0 | 0 | 112.4 | ||
| 180 | G | 76.4 | Confident | 85.1 | Confident | 81 Ų | 81 | 54.8 Ų | 54.8 | 84% | 0.835 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -3.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116 | P178 | P178-G180 PolarHBondContact O-N 3.48Š|
| 181 | V | 85.4 | Confident | 86 | Confident | 28 Ų | 28 | 56.1 Ų | 56.1 | 17% | 0.17 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 123.8 | -179.1 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | L177 P178 Y189 T193 I197 | L177-V181 HydrophobicContact CD2-CG1 4.45Å; P178-V181 HydrophobicContact CB-CG2 3.94Å; P178-V181 HydrophobicContact CG-CG2 4.46Å; P178-V181 VanDerWaalsContact O-CB 3.29Å; P178-V181 WeakPolarHBondContact O-CB 3.42Å; P178-V181 WeakPolarHBondContact O-CG2 3.44Å; P178-V181 PolarHBondContact O-N 2.99Å; V181-Y189 HydrophobicContact CG1-CE1 3.76Å; V181-T193 HydrophobicContact CG1-CG2 3.9Å; V181-T193 HydrophobicContact CG2-CG2 3.81Å; V181-I197 HydrophobicContact CG1-CD1 4.12Å; V181-I197 HydrophobicContact CG1-CG1 4.4Å |
| 182 | V | 85.3 | Confident | 86.5 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -99.8 | 152.4 | 172.7 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | K184 Y189 | V182-K184 HydrophobicContact CG2-CD 3.96Å; V182-K184 HydrophobicContact CG2-CG 4.17Å; V182-K184 PolarHBondContact O-N 3.5Å; V182-Y189 PolarHBondContact O-OH 3.24Å |
| 183 | L | 88.3 | Confident | 86.8 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 16% | 0.157 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 120.1 | 177.8 | 179.4 | 57.4 | 0 | 0 | 0 | 111.1 | F144 Y162 I165 V172 A174 L177 F206 | F144-L183 HydrophobicContact CD2-CD1 3.57Å; F144-L183 HydrophobicContact CE2-CD1 3.44Å; F144-L183 VanDerWaalsContact CE2-CD1 3.44Å; F144-L183 HydrophobicContact CG-CD1 4.28Å; F144-L183 HydrophobicContact CZ-CD1 4.08Å; Y162-L183 HydrophobicContact CE1-CD1 4.33Å; I165-L183 HydrophobicContact CD1-CD2 4.17Å; I165-L183 HydrophobicContact CG2-CD2 4.1Å; V172-L183 HydrophobicContact CG1-CD2 4.32Å; A174-L183 HydrophobicContact CB-CB 4.12Å; A174-L183 HydrophobicContact CB-CD2 4.11Å; L177-L183 HydrophobicContact CD1-CB 4.32Å; L183-F206 HydrophobicContact CD1-CE1 4.35Å; L183-F206 HydrophobicContact CD1-CE2 4.34Å; L183-F206 HydrophobicContact CD1-CZ 3.69Å; L183-F206 HydrophobicContact CD2-CE1 4.3Å; L183-F206 HydrophobicContact CD2-CE2 4.1Å; L183-F206 HydrophobicContact CD2-CZ 3.94Å; L183-F206 HydrophobicContact CG-CZ 4.49Å |
| 184 | K | 87.7 | Confident | 87.2 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 33% | 0.326 | 34% | 0.34 | S | S | . | . | trans | -148.9 | 171.9 | -174.8 | -78.2 | 175.7 | 156.2 | -121.1 | 0 | 110.4 | Y162 V182 E188 Y189 | Y162-K184 WeakPolarHBondContact CE1-O 3.26Å; V182-K184 HydrophobicContact CG2-CD 3.96Å; V182-K184 HydrophobicContact CG2-CG 4.17Å; V182-K184 PolarHBondContact O-N 3.5Å; K184-E188 HydrophobicContact CB-CB 4.38Å; K184-E188 HydrophobicContact CD-CB 4.48Å; K184-E188 WeakPolarHBondContact CD-OE2 3.49Å; K184-E188 WeakPolarHBondContact CE-OE2 3.36Å; K184-E188 IonicContact NZ-OE2 2.76Å; K184-E188 PolarHBondContact NZ-OE2 3.29Å; K184-Y189 HydrophobicContact CB-CE1 4.09Å; K184-Y189 PolarHBondContact N-OH 2.89Å | ||
| 185 | K | 89.9 | Confident | 87.2 | Confident | 69 Ų | 69 | 64 Ų | 64 | 30% | 0.3 | 35% | 0.354 | S | S | . | . | trans | -61 | 140.1 | 172 | -69.3 | -173.6 | 173.2 | -169.9 | 0 | 110.6 | Y162 E163 S187 E188 | Y162-K185 HydrophobicContact CD1-CG 4.09Å; Y162-K185 HydrophobicContact CD2-CD 4.47Å; Y162-K185 HydrophobicContact CD2-CG 3.63Å; Y162-K185 HydrophobicContact CE2-CG 4.26Å; Y162-K185 HydrophobicContact CG-CB 4.48Å; Y162-K185 HydrophobicContact CG-CG 3.52Å; E163-K185 WeakPolarHBondContact OE1-CE 3.33Å; E163-K185 IonicContact OE1-NZ 3.34Å; E163-K185 PolarHBondContact OE1-NZ 2.89Å; E163-K185 IonicContact OE2-NZ 3.05Å; K185-S187 WeakPolarHBondContact CB-OG 3.43Å; K185-S187 PolarHBondContact O-N 2.81Å; K185-S187 VanDerWaalsContact O-N 3.08Å; K185-E188 HydrophobicContact CB-CG 4.3Å; K185-E188 PolarHBondContact N-OE1 3.25Å; K185-E188 WeakPolarHBondContact O-CB 3.47Å; K185-E188 PolarHBondContact O-N 2.85Å | ||
| 186 | P | 91.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.019 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -55.9 | -29.1 | 177.1 | -28.4 | 36.1 | 0 | 0 | 0 | 114 | R137 V140 E141 Y162 E188 Y189 L194 | R137-P186 HydrophobicContact CB-CB 4.22Å; R137-P186 WeakPolarHBondContact CG-O 3.42Å; R137-P186 VanDerWaalsContact O-CB 3.3Å; R137-P186 WeakPolarHBondContact O-CB 3.18Å; V140-P186 HydrophobicContact CB-CB 4.41Å; V140-P186 HydrophobicContact CG1-CB 4.36Å; V140-P186 HydrophobicContact CG1-CG 4.17Å; E141-P186 HydrophobicContact CB-CB 4.48Å; E141-P186 HydrophobicContact CB-CG 3.8Å; E141-P186 HydrophobicContact CG-CG 4.17Å; Y162-P186 WeakPolarHBondContact OH-CD 3.43Å; P186-E188 PolarHBondContact O-N 3.02Å; P186-Y189 PolarHBondContact O-N 3.49Å; P186-L194 HydrophobicContact CB-CD2 4.49Å |
| 187 | S | 88.1 | Confident | 88 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 49% | 0.49 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -59.7 | -27.6 | 173.2 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | R137 K185 | R137-S187 PolarHBondContact NH2-O 3.32Å; R137-S187 VanDerWaalsContact NH2-O 3.08Å; K185-S187 WeakPolarHBondContact CB-OG 3.43Å; K185-S187 PolarHBondContact O-N 2.81Å; K185-S187 VanDerWaalsContact O-N 3.08Å |
| 188 | E | 87.3 | Confident | 88.1 | Confident | 80 Ų | 80 | 64.2 Ų | 64.2 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -83.9 | -13.9 | -178.2 | -65.4 | 174.6 | -121.4 | 0 | 0 | 113.8 | K184 K185 P186 | K184-E188 HydrophobicContact CB-CB 4.38Å; K184-E188 HydrophobicContact CD-CB 4.48Å; K184-E188 WeakPolarHBondContact CD-OE2 3.49Å; K184-E188 WeakPolarHBondContact CE-OE2 3.36Å; K184-E188 IonicContact NZ-OE2 2.76Å; K184-E188 PolarHBondContact NZ-OE2 3.29Å; K185-E188 HydrophobicContact CB-CG 4.3Å; K185-E188 PolarHBondContact N-OE1 3.25Å; K185-E188 WeakPolarHBondContact O-CB 3.47Å; K185-E188 PolarHBondContact O-N 2.85Å; P186-E188 PolarHBondContact O-N 3.02Å |
| 189 | Y | 91.3 | Very high | 88.3 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 6% | 0.059 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -85.2 | 148 | 177.6 | -60 | -54.6 | 0 | 0 | 0 | 112.1 | V140 F144 V181 V182 K184 P186 T193 L194 I197 | V140-Y189 HydrophobicContact CG1-CE2 4.49Å; F144-Y189 AromaticContact CE2-CE2 3.87Å; F144-Y189 HydrophobicContact CE2-CE2 3.87Å; F144-Y189 HydrophobicContact CZ-CE2 4.32Å; V181-Y189 HydrophobicContact CG1-CE1 3.76Å; V182-Y189 PolarHBondContact O-OH 3.24Å; K184-Y189 HydrophobicContact CB-CE1 4.09Å; K184-Y189 PolarHBondContact N-OH 2.89Å; P186-Y189 PolarHBondContact O-N 3.49Å; Y189-T193 HydrophobicContact CD1-CG2 3.64Å; Y189-T193 HydrophobicContact CE1-CG2 4.24Å; Y189-T193 HydrophobicContact CG-CG2 4.04Å; Y189-L194 HydrophobicContact CD2-CD2 3.89Å; Y189-L194 HydrophobicContact CG-CD2 4.32Å; Y189-I197 HydrophobicContact CD1-CD1 4.3Å; Y189-I197 HydrophobicContact CD2-CD1 3.72Å; Y189-I197 HydrophobicContact CE1-CD1 4.17Å; Y189-I197 HydrophobicContact CE2-CD1 3.58Å; Y189-I197 HydrophobicContact CG-CD1 4.1Å |
| 190 | D | 90.1 | Very high | 88.7 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | trans | -79.4 | 163.5 | 167 | 85.1 | -73.4 | 0 | 0 | 0 | 111.4 | K192 T193 L194 | D190-K192 VanDerWaalsContact C-N 3.25Å; D190-K192 PolarHBondContact O-N 2.92Å; D190-K192 WeakPolarHBondContact OD2-CA 3.48Å; D190-K192 VanDerWaalsContact OD2-CB 3.22Å; D190-K192 WeakPolarHBondContact OD2-CB 3.41Å; D190-K192 PolarHBondContact OD2-N 3.48Å; D190-T193 PolarHBondContact O-N 3.06Å; D190-T193 VanDerWaalsContact O-N 3.16Å; D190-T193 WeakPolarHBondContact OD1-CB 3.46Å; D190-T193 PolarHBondContact OD1-N 3.43Å; D190-T193 PolarHBondContact OD1-OG1 3.3Å; D190-L194 WeakPolarHBondContact O-CG 3.42Å; D190-L194 PolarHBondContact O-N 3.32Å | ||
| 191 | T | 90.7 | Very high | 89.4 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 37% | 0.368 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.7 | -35.6 | -177.3 | -33.7 | 0 | 0 | 0 | 0 | 113.7 | V133 L136 M195 | V133-T191 HydrophobicContact CG2-CG2 3.92Å; V133-T191 WeakPolarHBondContact CG2-OG1 3.46Å; L136-T191 HydrophobicContact CD1-CG2 3.75Å; T191-M195 VanDerWaalsContact O-CG 3.3Å; T191-M195 WeakPolarHBondContact O-CG 3.49Å; T191-M195 PolarHBondContact O-N 3.26Å; T191-M195 VanDerWaalsContact O-N 3.17Å |
| 192 | K | 89.4 | Confident | 89.3 | Confident | 164 Ų | 164 | 65.5 Ų | 65.5 | 71% | 0.713 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -75.2 | -38.6 | -178.6 | -56.5 | 175.9 | -179.7 | 175.7 | 0 | 111.1 | D190 K196 | D190-K192 VanDerWaalsContact C-N 3.25Å; D190-K192 PolarHBondContact O-N 2.92Å; D190-K192 WeakPolarHBondContact OD2-CA 3.48Å; D190-K192 VanDerWaalsContact OD2-CB 3.22Å; D190-K192 WeakPolarHBondContact OD2-CB 3.41Å; D190-K192 PolarHBondContact OD2-N 3.48Å; K192-K196 WeakPolarHBondContact O-CG 3.5Å; K192-K196 PolarHBondContact O-N 3.03Å; K192-K196 VanDerWaalsContact O-N 3.08Å |
| 193 | T | 91.5 | Very high | 89.4 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67 | -42 | 174.6 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | V181 Y189 D190 M195 K196 I197 | V181-T193 HydrophobicContact CG1-CG2 3.9Å; V181-T193 HydrophobicContact CG2-CG2 3.81Å; Y189-T193 HydrophobicContact CD1-CG2 3.64Å; Y189-T193 HydrophobicContact CE1-CG2 4.24Å; Y189-T193 HydrophobicContact CG-CG2 4.04Å; D190-T193 PolarHBondContact O-N 3.06Å; D190-T193 VanDerWaalsContact O-N 3.16Å; D190-T193 WeakPolarHBondContact OD1-CB 3.46Å; D190-T193 PolarHBondContact OD1-N 3.43Å; D190-T193 PolarHBondContact OD1-OG1 3.3Å; T193-M195 PolarHBondContact O-N 3.02Å; T193-K196 PolarHBondContact O-N 3.36Å; T193-I197 HydrophobicContact CG2-CD1 3.81Å; T193-I197 HydrophobicContact CG2-CG1 4.33Å; T193-I197 VanDerWaalsContact O-CG1 3.29Å; T193-I197 WeakPolarHBondContact O-CG1 3.48Å; T193-I197 PolarHBondContact O-N 3.32Å |
| 194 | L | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 174.3 | -69.4 | 166.3 | 0 | 0 | 0 | 112.2 | L136 R137 V140 P186 Y189 D190 K196 I197 L198 | L136-L194 HydrophobicContact CB-CB 4.11Å; L136-L194 HydrophobicContact CB-CD1 4.14Å; R137-L194 HydrophobicContact CG-CD1 3.54Å; R137-L194 HydrophobicContact CG-CD2 4.26Å; V140-L194 HydrophobicContact CB-CD2 3.97Å; V140-L194 HydrophobicContact CG1-CD2 4.34Å; V140-L194 HydrophobicContact CG2-CB 4.42Å; V140-L194 HydrophobicContact CG2-CD2 3.71Å; P186-L194 HydrophobicContact CB-CD2 4.49Å; Y189-L194 HydrophobicContact CD2-CD2 3.89Å; Y189-L194 HydrophobicContact CG-CD2 4.32Å; D190-L194 WeakPolarHBondContact O-CG 3.42Å; D190-L194 PolarHBondContact O-N 3.32Å; L194-K196 PolarHBondContact O-N 3.45Å; L194-I197 PolarHBondContact O-N 2.91Å; L194-L198 WeakPolarHBondContact O-CG 3.46Å; L194-L198 PolarHBondContact O-N 3.22Å; L194-L198 VanDerWaalsContact O-N 3.11Å |
| 195 | M | 89.3 | Confident | 89.6 | Confident | 107 Ų | 107 | 68.3 Ų | 68.3 | 53% | 0.527 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 175.6 | -72.4 | -68.2 | -68.3 | 0 | 0 | 112.1 | L136 T191 T193 I197 L198 E199 | L136-M195 HydrophobicContact CD1-CG 4.02Å; L136-M195 HydrophobicContact CD1-SD 3.8Å; L136-M195 HydrophobicContact CD2-CG 4.43Å; L136-M195 HydrophobicContact CD2-SD 3.45Å; L136-M195 WeakPolarHBondContact CD2-SD 3.49Å; L136-M195 HydrophobicContact CG-SD 4.29Å; T191-M195 VanDerWaalsContact O-CG 3.3Å; T191-M195 WeakPolarHBondContact O-CG 3.49Å; T191-M195 PolarHBondContact O-N 3.26Å; T191-M195 VanDerWaalsContact O-N 3.17Å; T193-M195 PolarHBondContact O-N 3.02Å; M195-I197 PolarHBondContact O-N 2.68Å; M195-L198 PolarHBondContact O-N 2.87Å; M195-E199 WeakPolarHBondContact O-CB 3.31Å; M195-E199 PolarHBondContact O-N 3.22Å |
| 196 | K | 90.3 | Very high | 89.8 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 50% | 0.496 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 177.7 | -76.7 | -178.1 | 172 | -168.6 | 0 | 113.1 | P178 K192 T193 L194 E199 H200 | P178-K196 HydrophobicContact CB-CB 4.39Å; P178-K196 HydrophobicContact CG-CB 4.04Å; K192-K196 WeakPolarHBondContact O-CG 3.5Å; K192-K196 PolarHBondContact O-N 3.03Å; K192-K196 VanDerWaalsContact O-N 3.08Å; T193-K196 PolarHBondContact O-N 3.36Å; L194-K196 PolarHBondContact O-N 3.45Å; K196-E199 PolarHBondContact O-N 2.98Å; K196-H200 WeakPolarHBondContact O-CB 3.49Å; K196-H200 PolarHBondContact O-N 3.32Å; K196-H200 PolarHBondContact O-ND1 3.04Å |
| 197 | I | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 176.4 | -70 | 164.6 | 0 | 0 | 0 | 110.4 | V140 F144 L177 P178 V181 Y189 T193 L194 M195 H200 S201 I204 | V140-I197 HydrophobicContact CG1-CD1 4.46Å; V140-I197 HydrophobicContact CG1-CG2 3.86Å; V140-I197 HydrophobicContact CG2-CB 4.27Å; V140-I197 HydrophobicContact CG2-CG2 3.98Å; F144-I197 HydrophobicContact CE1-CG2 3.63Å; F144-I197 HydrophobicContact CZ-CD1 4.26Å; F144-I197 HydrophobicContact CZ-CG2 3.8Å; L177-I197 HydrophobicContact CD2-CG1 4.44Å; P178-I197 HydrophobicContact CG-CG1 4.29Å; V181-I197 HydrophobicContact CG1-CD1 4.12Å; V181-I197 HydrophobicContact CG1-CG1 4.4Å; Y189-I197 HydrophobicContact CD1-CD1 4.3Å; Y189-I197 HydrophobicContact CD2-CD1 3.72Å; Y189-I197 HydrophobicContact CE1-CD1 4.17Å; Y189-I197 HydrophobicContact CE2-CD1 3.58Å; Y189-I197 HydrophobicContact CG-CD1 4.1Å; T193-I197 HydrophobicContact CG2-CD1 3.81Å; T193-I197 HydrophobicContact CG2-CG1 4.33Å; T193-I197 VanDerWaalsContact O-CG1 3.29Å; T193-I197 WeakPolarHBondContact O-CG1 3.48Å; T193-I197 PolarHBondContact O-N 3.32Å; L194-I197 PolarHBondContact O-N 2.91Å; M195-I197 PolarHBondContact O-N 2.68Å; I197-H200 PolarHBondContact O-N 3.1Å; I197-S201 WeakPolarHBondContact O-CA 3.3Å; I197-S201 PolarHBondContact O-N 3.04Å; I197-I204 HydrophobicContact CG2-CD1 3.84Å |
| 198 | L | 89.8 | Confident | 89.5 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 177.7 | -66.5 | 172.8 | 0 | 0 | 0 | 112.3 | L136 M139 V140 V143 L194 M195 H200 S201 | L136-L198 HydrophobicContact CD2-CD1 3.64Å; M139-L198 HydrophobicContact CB-CD1 3.92Å; M139-L198 HydrophobicContact CB-CD2 3.9Å; M139-L198 HydrophobicContact CE-CD1 4.22Å; M139-L198 HydrophobicContact SD-CD1 4.41Å; V140-L198 HydrophobicContact CG2-CD1 4.21Å; V140-L198 HydrophobicContact CG2-CD2 3.7Å; V140-L198 HydrophobicContact CG2-CG 3.66Å; V143-L198 HydrophobicContact CG2-CD2 4.24Å; L194-L198 WeakPolarHBondContact O-CG 3.46Å; L194-L198 PolarHBondContact O-N 3.22Å; L194-L198 VanDerWaalsContact O-N 3.11Å; M195-L198 PolarHBondContact O-N 2.87Å; L198-H200 VanDerWaalsContact C-N 3.34Å; L198-H200 PolarHBondContact O-N 2.98Å; L198-S201 VanDerWaalsContact O-CB 3.25Å; L198-S201 WeakPolarHBondContact O-CB 3.06Å; L198-S201 PolarHBondContact O-N 3.45Å; L198-S201 PolarHBondContact O-OG 3.31Å |
| 199 | E | 91 | Very high | 88.9 | Confident | 127 Ų | 127 | 70.4 Ų | 70.4 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58 | -44 | 174.4 | 178.7 | -177.9 | -136.2 | 0 | 0 | 112.2 | M195 K196 H202 | M195-E199 WeakPolarHBondContact O-CB 3.31Å; M195-E199 PolarHBondContact O-N 3.22Å; K196-E199 PolarHBondContact O-N 2.98Å; E199-H202 PolarHBondContact O-CE1 3.22Å; E199-H202 VanDerWaalsContact O-CE1 3.28Å; E199-H202 PolarHBondContact O-ND1 3.13Å; E199-H202 VanDerWaalsContact O-ND1 3.1Å |
| 200 | H | 85.9 | Confident | 87.3 | Confident | 54 Ų | 54 | 80.7 Ų | 80.7 | 25% | 0.25 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -89.6 | 0.5 | -178.1 | -67.3 | 71.5 | 0 | 0 | 0 | 113.9 | P178 K196 I197 L198 H202 R203 | P178-H200 HydrophobicContact CG-CB 4.26Å; K196-H200 WeakPolarHBondContact O-CB 3.49Å; K196-H200 PolarHBondContact O-N 3.32Å; K196-H200 PolarHBondContact O-ND1 3.04Å; I197-H200 PolarHBondContact O-N 3.1Å; L198-H200 VanDerWaalsContact C-N 3.34Å; L198-H200 PolarHBondContact O-N 2.98Å; H200-H202 PolarHBondContact O-N 3.33Å; H200-R203 WeakPolarHBondContact O-CB 3.44Å; H200-R203 PolarHBondContact O-N 2.73Å |
| 201 | S | 89.8 | Confident | 84.8 | Confident | 41 Ų | 41 | 86.2 Ų | 86.2 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -48.8 | -39.8 | -173.7 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | I197 L198 R203 I204 | I197-S201 WeakPolarHBondContact O-CA 3.3Å; I197-S201 PolarHBondContact O-N 3.04Å; L198-S201 VanDerWaalsContact O-CB 3.25Å; L198-S201 WeakPolarHBondContact O-CB 3.06Å; L198-S201 PolarHBondContact O-N 3.45Å; L198-S201 PolarHBondContact O-OG 3.31Å; S201-R203 PolarHBondContact O-N 2.69Å; S201-I204 PolarHBondContact O-N 3.43Å |
| 202 | H | 84 | Confident | 82.1 | Confident | 134 Ų | 134 | 87.4 Ų | 87.4 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -61.1 | -7.8 | 176.1 | 67.6 | -84.8 | 0 | 0 | 0 | 115.6 | E199 H200 | E199-H202 PolarHBondContact O-CE1 3.22Å; E199-H202 VanDerWaalsContact O-CE1 3.28Å; E199-H202 PolarHBondContact O-ND1 3.13Å; E199-H202 VanDerWaalsContact O-ND1 3.1Å; H200-H202 PolarHBondContact O-N 3.33Å |
| 203 | R | 86.1 | Confident | 79.2 | Confident | 152 Ų | 152 | 87.6 Ų | 87.6 | 57% | 0.574 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -110 | -18.2 | 175.2 | -49.7 | -173.3 | -174.3 | -175.5 | 0.9 | 112.4 | H200 S201 H205 | H200-R203 WeakPolarHBondContact O-CB 3.44Å; H200-R203 PolarHBondContact O-N 2.73Å; S201-R203 PolarHBondContact O-N 2.69Å; R203-H205 PolarHBondContact O-N 2.87Å; R203-H205 PolarHBondContact O-ND1 3.2Å; R203-H205 VanDerWaalsContact O-ND1 3.11Å |
| 204 | I | 92.4 | Very high | 76 | Confident | 6 Ų | 6 | 94.4 Ų | 94.4 | 3% | 0.031 | 46% | 0.455 | C | S | . | . | trans | -75.7 | 126.7 | -175.8 | -51.9 | 176.7 | 0 | 0 | 0 | 108.5 | F144 L147 H175 L177 I197 S201 F206 | F144-I204 HydrophobicContact CE1-CD1 4.32Å; L147-I204 HydrophobicContact CD1-CB 3.89Å; L147-I204 HydrophobicContact CD1-CG2 3.75Å; L147-I204 WeakPolarHBondContact CD2-O 3.45Å; H175-I204 VanDerWaalsContact O-CA 3.29Å; H175-I204 WeakPolarHBondContact O-CA 3.44Å; L177-I204 HydrophobicContact CD2-CD1 3.92Å; L177-I204 HydrophobicContact CD2-CG1 4.5Å; L177-I204 HydrophobicContact CD2-CG2 4.39Å; L177-I204 HydrophobicContact CG-CG2 4.4Å; I197-I204 HydrophobicContact CG2-CD1 3.84Å; S201-I204 PolarHBondContact O-N 3.43Å; I204-F206 HydrophobicContact CG2-CD1 4.19Å; I204-F206 HydrophobicContact CG2-CE1 3.72Å | ||
| 205 | H | 89.3 | Confident | 73.2 | Confident | 99 Ų | 99 | 100.4 Ų | 100.4 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 143.1 | 172.5 | 56.1 | -78.8 | 0 | 0 | 0 | 109.9 | H175 R203 | H175-H205 VanDerWaalsContact CB-CE1 3.41Å; H175-H205 WeakPolarHBondContact CB-CE1 3.25Å; H175-H205 WeakPolarHBondContact CB-NE2 3.42Å; H175-H205 AromaticContact CD2-CD2 3.8Å; H175-H205 AromaticContact CD2-NE2 3.83Å; H175-H205 AromaticContact CG-NE2 3.66Å; H175-H205 PolarHBondContact N-O 3.31Å; H175-H205 PolarHBondContact O-N 3.16Å; H175-H205 VanDerWaalsContact O-N 3.13Å; R203-H205 PolarHBondContact O-N 2.87Å; R203-H205 PolarHBondContact O-ND1 3.2Å; R203-H205 VanDerWaalsContact O-ND1 3.11Å |
| 206 | F | 93.1 | Very high | 70.2 | Confident | 14 Ų | 14 | 100 Ų | 100 | 6% | 0.061 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 140.1 | -178.4 | -67.4 | -1.6 | 0 | 0 | 0 | 110 | F144 L147 Y148 A151 V172 V173 A174 L183 I204 | F144-F206 HydrophobicContact CB-CE2 4.19Å; F144-F206 HydrophobicContact CB-CZ 4.08Å; F144-F206 HydrophobicContact CD1-CE1 4.47Å; F144-F206 AromaticContact CD1-CZ 3.78Å; F144-F206 HydrophobicContact CD1-CZ 3.78Å; F144-F206 HydrophobicContact CD2-CZ 4.43Å; F144-F206 HydrophobicContact CE1-CZ 4.27Å; F144-F206 HydrophobicContact CG-CE2 4.46Å; F144-F206 AromaticContact CG-CZ 3.86Å; F144-F206 HydrophobicContact CG-CZ 3.86Å; L147-F206 HydrophobicContact CB-CD1 4.45Å; L147-F206 HydrophobicContact CB-CD2 4.08Å; L147-F206 HydrophobicContact CB-CE2 4.25Å; L147-F206 HydrophobicContact CB-CG 4.18Å; Y148-F206 HydrophobicContact CD2-CD2 4.47Å; A151-F206 HydrophobicContact CB-CB 3.78Å; A151-F206 WeakPolarHBondContact CB-O 3.42Å; V172-F206 HydrophobicContact CG1-CB 4.07Å; V172-F206 HydrophobicContact CG1-CD2 4.18Å; V172-F206 HydrophobicContact CG1-CG 4.21Å; V173-F206 CarbonylContact O-C 3.31Å; V173-F206 WeakPolarHBondContact O-CA 3.5Å; A174-F206 HydrophobicContact CB-CD1 3.65Å; A174-F206 HydrophobicContact CB-CE1 3.62Å; L183-F206 HydrophobicContact CD1-CE1 4.35Å; L183-F206 HydrophobicContact CD1-CE2 4.34Å; L183-F206 HydrophobicContact CD1-CZ 3.69Å; L183-F206 HydrophobicContact CD2-CE1 4.3Å; L183-F206 HydrophobicContact CD2-CE2 4.1Å; L183-F206 HydrophobicContact CD2-CZ 3.94Å; L183-F206 HydrophobicContact CG-CZ 4.49Å; I204-F206 HydrophobicContact CG2-CD1 4.19Å; I204-F206 HydrophobicContact CG2-CE1 3.72Å |
| 207 | T | 87.8 | Confident | 67.1 | Low | 69 Ų | 69 | 106.9 Ų | 106.9 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 104.3 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 108.3 | V173 H175 | V173-T207 PolarHBondContact N-O 3.22Å; V173-T207 PolarHBondContact O-N 3.07Å; H175-T207 PolarHBondContact CD2-OG1 2.92Å; H175-T207 PolarHBondContact NE2-OG1 3.33Å |
| 208 | A | 86.1 | Confident | 64.1 | Low | 24 Ų | 24 | 115.7 Ų | 115.7 | 20% | 0.198 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 125.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A151 L152 C171 R210 | A151-A208 HydrophobicContact CB-CB 4.16Å; L152-A208 HydrophobicContact CD2-CB 3.95Å; C171-A208 WeakPolarHBondContact O-CA 3.4Å; A208-R210 PolarHBondContact O-N 2.94Å |
| 209 | K | 74.6 | Confident | 61.1 | Low | 159 Ų | 159 | 118.9 Ų | 118.9 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | trans | -79.1 | 108.2 | 178 | -173.1 | -179.3 | 178.5 | -174.2 | 0 | 109.7 | G170 C171 Q211 | G170-K209 WeakPolarHBondContact O-CB 3.22Å; C171-K209 PolarHBondContact O-N 3.4Å; K209-Q211 PolarHBondContact O-N 3.03Å | ||
| 210 | R | 57.4 | Low | 57.9 | Low | 232 Ų | 232 | 122 Ų | 122 | 88% | 0.875 | 60% | 0.601 | S | S | * | * | trans | -62.4 | 132.3 | 170.5 | -59.6 | -178.1 | -164.5 | 146.6 | 5.7 | 109.5 | A208 | A208-R210 PolarHBondContact O-N 2.94Š| ||
| 211 | Q | 38.3 | Very low | 54.9 | Low | 194 Ų | 194 | 127.2 Ų | 127.2 | 91% | 0.907 | 63% | 0.63 | S | S | * | * | trans | -72.1 | 142.7 | 155.6 | -70.3 | -179.2 | -16.4 | 0 | 0 | 108.3 | K209 | K209-Q211 PolarHBondContact O-N 3.03Š| ||
| 212 | A | 33.5 | Very low | 51.6 | Low | 84 Ų | 84 | 131 Ų | 131 | 69% | 0.694 | 66% | 0.656 | S | S | * | * | trans | -145 | 160.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 213 | E | 28.9 | Very low | 48.8 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 79% | 0.79 | 66% | 0.662 | S | S | * | * | trans | 83.5 | 132.9 | -154.2 | -55.3 | 175 | 149.6 | 0 | 0 | 111.3 | L215 | E213-L215 HydrophobicContact CG-CD1 3.98Å; E213-L215 HydrophobicContact CG-CG 4.22Å | ||
| 214 | D | 24.4 | Very low | 45.9 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 93% | 0.925 | 67% | 0.666 | S | S | * | * | S | Bend | cis | -62.9 | 158.2 | 9.2 | -81.5 | -59 | 0 | 0 | 0 | 117.6 | ||
| 215 | L | 32.2 | Very low | 42.9 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 66% | 0.66 | 71% | 0.705 | S | S | * | * | trans | -124 | 130.8 | -173.3 | -95 | 168.4 | 0 | 0 | 0 | 113.3 | E213 | E213-L215 HydrophobicContact CG-CD1 3.98Å; E213-L215 HydrophobicContact CG-CG 4.22Å | ||
| 216 | S | 26.7 | Very low | 39.9 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 71% | 0.705 | S | S | * | * | trans | 56.7 | 126 | 146.2 | 68.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 217 | R | 26 | Very low | 36.6 | Very low | 258 Ų | 258 | 142.1 Ų | 142.1 | 97% | 0.974 | 74% | 0.741 | S | S | * | * | -133.1 | 87.3 | 129.6 | -85.5 | -163.3 | 175.3 | -173.2 | -0.1 | 109.7 | |||||
| 218 | E | 28.3 | Very low | 33.7 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -91.7 | 130.4 | 172.5 | -174.7 | 171.1 | -152.4 | 0 | 0 | 110.1 | ||||
| 219 | A | 26.8 | Very low | 32.2 | Very low | 99 Ų | 99 | 149.9 Ų | 149.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -121.2 | 76.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 220 | K | 24.8 | Very low | 29.8 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 16.2 | 124.9 | 157 | -58.2 | 179.2 | 179.2 | -176.2 | 0 | 118 | ||||
| 221 | L | 21.6 | Very low | 28.4 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | -165.6 | 102.5 | 127.1 | -113.7 | 170.9 | 0 | 0 | 0 | 114.1 | |||||
| 222 | S | 22.1 | Very low | 27.9 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -168.2 | 125.6 | 145.1 | 52.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 223 | T | 25.4 | Very low | 27.7 | Very low | 120 Ų | 120 | 140 Ų | 140 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -115.5 | 115.5 | -168.2 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 224 | E | 24.6 | Very low | 27.6 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | 35.9 | 119.4 | 135.9 | -171.3 | -174.2 | -167.7 | 0 | 0 | 121 | N226 | E224-N226 HydrophobicContact CG-CB 3.9Å; E224-N226 PolarHBondContact OE1-ND2 2.9Å; E224-N226 VanDerWaalsContact OE1-ND2 3.16Å | ||
| 225 | V | 28.2 | Very low | 27.8 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | -152.1 | 112.4 | 129.8 | 176.4 | 0 | 0 | 0 | 0 | 105 | |||||
| 226 | N | 27 | Very low | 27.8 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 46% | 0.46 | 79% | 0.785 | S | S | . | * | cis | 76.9 | 106.8 | 37.7 | -164.4 | 2.7 | 0 | 0 | 0 | 114.5 | E224 | E224-N226 HydrophobicContact CG-CB 3.9Å; E224-N226 PolarHBondContact OE1-ND2 2.9Å; E224-N226 VanDerWaalsContact OE1-ND2 3.16Å | ||
| 227 | N | 24.9 | Very low | 28.5 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | -177 | 142.5 | 120.8 | -97.2 | -67.4 | 0 | 0 | 0 | 114 | |||||
| 228 | N | 26.1 | Very low | 28.4 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -93 | -161 | -173.5 | -72 | -35.7 | 0 | 0 | 0 | 111.9 | ||||
| 229 | P | 54.4 | Low | 28.3 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | -133.2 | -165.6 | -69.4 | 40.8 | -25.5 | 0 | 0 | 0 | 112.3 | |||||
| 230 | S | 23.5 | Very low | 28.4 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | trans | -157.7 | 156.4 | 143.1 | -85.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 231 | A | 29.2 | Very low | 28.4 | Very low | 102 Ų | 102 | 123 Ų | 123 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -151.5 | 151.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 232 | A | 27.4 | Very low | 28.6 | Very low | 94 Ų | 94 | 121.8 Ų | 121.8 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | -164.4 | 122.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 233 | V | 28.4 | Very low | 28.8 | Very low | 138 Ų | 138 | 120 Ų | 120 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | cis | 104.4 | 139.9 | 44.6 | 161.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 234 | V | 27.1 | Very low | 28.8 | Very low | 137 Ų | 137 | 124 Ų | 124 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | 110.5 | 135.8 | -179.6 | 170.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 235 | V | 28.8 | Very low | 28.7 | Very low | 112 Ų | 112 | 121 Ų | 121 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | cis | -157.6 | 115.6 | -41.4 | 96.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 236 | T | 32 | Very low | 28.5 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 49.7 | -174.1 | 140.9 | 64 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 237 | P | 42.3 | Very low | 28.3 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | -131 | 169.8 | -61.8 | 34.9 | -20 | 0 | 0 | 0 | 115.2 | |||||
| 238 | S | 24.3 | Very low | 28.3 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | -174.2 | 172 | 125.8 | -159.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 239 | S | 25.6 | Very low | 28.3 | Very low | 79 Ų | 79 | 119.5 Ų | 119.5 | 55% | 0.552 | 77% | 0.774 | S | S | * | * | trans | -149 | 169.5 | -159.2 | 52.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 240 | H | 29.3 | Very low | 26.9 | Very low | 183 Ų | 183 | 119.1 Ų | 119.1 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | 71.7 | 154 | 176.4 | -40.6 | -73.4 | 0 | 0 | 0 | 114.9 | ||||
| 241 | G | 25.2 | Very low | 27.3 | Very low | 71 Ų | 71 | 118.8 Ų | 118.8 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | cis | 158.1 | 167.7 | 0.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 242 | V | 25.7 | Very low | 26.9 | Very low | 137 Ų | 137 | 118.1 Ų | 118.1 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | cis | -169.4 | 149 | -5.8 | 112.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 243 | A | 25.3 | Very low | 26.8 | Very low | 85 Ų | 85 | 120 Ų | 120 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | 64 | 166.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 244 | K | 25.4 | Very low | 26.6 | Very low | 204 Ų | 204 | 117.7 Ų | 117.7 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | cis | -167.5 | 170.6 | -12.4 | -113.4 | 176.5 | -177.3 | 177.8 | 0 | 107.5 | ||||
| 245 | A | 23.3 | Very low | 26.4 | Very low | 77 Ų | 77 | 117.6 Ų | 117.6 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -161.2 | 172.2 | -6.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 246 | V | 23.1 | Very low | 26.2 | Very low | 129 Ų | 129 | 118.6 Ų | 118.6 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | 13.4 | 128.3 | 131.7 | -173.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 247 | T | 23.5 | Very low | 26.1 | Very low | 131 Ų | 131 | 117.9 Ų | 117.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | -162.2 | 156.4 | 63.6 | -30.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 248 | S | 23.9 | Very low | 25.4 | Very low | 102 Ų | 102 | 118.7 Ų | 118.7 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -83.9 | 166.6 | 159.3 | 60 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 249 | P | 26.5 | Very low | 26.1 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | -143.6 | 161.5 | 88 | 38 | -22.5 | 0 | 0 | 0 | 115.5 | |||||
| 250 | S | 24.7 | Very low | 26 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -92.5 | 167.3 | 161.9 | -170.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 251 | P | 32.1 | Very low | 26 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | -154.5 | 165.5 | 96 | 39.6 | -21.7 | 0 | 0 | 0 | 117.8 | |||||
| 252 | A | 21.3 | Very low | 26 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 62.7 | 130.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 253 | T | 24.3 | Very low | 26.1 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | cis | 100.6 | 99.4 | 11.3 | -51.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 254 | A | 24.6 | Very low | 26.1 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -175.5 | 136.3 | 143.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 255 | N | 23.7 | Very low | 26 | Very low | 136 Ų | 136 | 126 Ų | 126 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | 74.1 | 127.3 | 45 | -65.1 | 5.2 | 0 | 0 | 0 | 112.2 | ||||
| 256 | N | 25 | Very low | 26.5 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | -145.4 | 161.8 | 12.5 | -81.2 | -40.2 | 0 | 0 | 0 | 110.7 | ||||
| 257 | S | 28.3 | Very low | 26.8 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | 49.5 | 146.6 | 91.5 | -136.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 258 | V | 28.2 | Very low | 26.8 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -149.9 | 168.8 | 33.9 | -168.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 259 | L | 38.9 | Very low | 26.8 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -78.7 | 160.1 | 175.4 | -60.9 | 162 | 0 | 0 | 0 | 115.5 | ||||
| 260 | S | 24.4 | Very low | 26.9 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -173.4 | 162.6 | 137.1 | -86.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 261 | N | 28.4 | Very low | 26.8 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -89.8 | 160.9 | -174.5 | -64.7 | -26.7 | 0 | 0 | 0 | 114.2 | ||||
| 262 | F | 24.8 | Very low | 27 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | 176.3 | 128.5 | 102.6 | -102.4 | -75 | 0 | 0 | 0 | 116.3 | |||||
| 263 | L | 27.8 | Very low | 27 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | trans | 40 | 145.1 | 146.2 | -79.7 | 175.1 | 0 | 0 | 0 | 127.1 | ||||
| 264 | Y | 27 | Very low | 28.1 | Very low | 224 Ų | 224 | 141.1 Ų | 141.1 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | 77.2 | 140.3 | 145.8 | -85.4 | -58.9 | 0 | 0 | 0 | 123.2 | ||||
| 265 | G | 23.2 | Very low | 28.1 | Very low | 69 Ų | 69 | 143.8 Ų | 143.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 127.6 | 120.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 266 | M | 32.5 | Very low | 28.1 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 95% | 0.946 | 80% | 0.796 | S | S | * | * | trans | -99.7 | 148.9 | 154.9 | -68.5 | -164.6 | 78.5 | 0 | 0 | 109.6 | ||||
| 267 | P | 29.1 | Very low | 28.2 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -123.6 | 143.5 | 156.6 | 35.7 | -24.8 | 0 | 0 | 0 | 113.4 | ||||
| 268 | M | 24.4 | Very low | 28.1 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -79.3 | 160.5 | 161.1 | -73 | -99.7 | -75.7 | 0 | 0 | 110.1 | ||||
| 269 | S | 24.4 | Very low | 27.9 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | -101.2 | 127.1 | 169.1 | -175.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 270 | S | 28.2 | Very low | 27.2 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -136.2 | 161.1 | 171.4 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 271 | K | 23.3 | Very low | 26.9 | Very low | 205 Ų | 205 | 148.5 Ų | 148.5 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -79.2 | 164.7 | -176.2 | -90 | -176.1 | 174.5 | 179.3 | 0 | 112.7 | ||||
| 272 | P | 35.3 | Very low | 27.6 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -112.8 | 168 | -139.4 | 41.8 | -38 | 0 | 0 | 0 | 116.6 | ||||
| 273 | H | 22.2 | Very low | 27.6 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | -170 | 177.9 | 128.4 | -120.8 | -4 | 0 | 0 | 0 | 110.7 | |||||
| 274 | P | 45.9 | Very low | 27.4 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 58% | 0.578 | 78% | 0.781 | S | S | * | * | trans | -126.7 | 176.2 | -149.5 | 35.6 | -13.3 | 0 | 0 | 0 | 116 | ||||
| 275 | D | 24.6 | Very low | 27.4 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | 154.9 | 142.1 | 110.3 | -97.4 | -41.4 | 0 | 0 | 0 | 115.5 | |||||
| 276 | S | 24.4 | Very low | 27.5 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | 62 | 146.5 | 160 | -78.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 277 | K | 26.3 | Very low | 27.1 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | cis | -175.2 | 142.4 | -21.4 | -126.1 | -170.5 | 167.7 | -176.2 | 0 | 110.8 | ||||
| 278 | L | 27 | Very low | 27.1 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | trans | 60.6 | 162.4 | 154.6 | -56.4 | 171.3 | 0 | 0 | 0 | 118.1 | ||||
| 279 | D | 23.6 | Very low | 27 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 65% | 0.647 | 77% | 0.769 | S | S | * | * | cis | -162.9 | -173.2 | -46.9 | -119.3 | -77.5 | 0 | 0 | 0 | 106.2 | ||||
| 280 | F | 23.5 | Very low | 27 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | cis | -149.4 | -122.5 | 11.9 | -141.9 | -45.3 | 0 | 0 | 0 | 112.4 | ||||
| 281 | K | 18.4 | Very low | 26.9 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 79% | 0.787 | 76% | 0.756 | S | S | * | * | trans | -158 | -172.4 | -165.5 | -71.2 | -172.9 | -177.6 | 175.6 | 0 | 111.4 | ||||
| 282 | P | 44.6 | Very low | 27.3 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | -139.4 | -153.8 | -59.6 | 42.9 | -24.8 | 0 | 0 | 0 | 114 | |||||
| 283 | A | 23.8 | Very low | 26.7 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | trans | 96.2 | 151.1 | 155 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 284 | T | 24.5 | Very low | 26.7 | Very low | 125 Ų | 125 | 138 Ų | 138 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | cis | -165.1 | 169.9 | 0.4 | -3.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 285 | L | 25.5 | Very low | 25.6 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | trans | 85.6 | 110 | 145.7 | -103.2 | 106.6 | 0 | 0 | 0 | 126 | ||||
| 286 | V | 26.5 | Very low | 25.5 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | 75.6 | 166.7 | 125.1 | 178.1 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 287 | N | 24.5 | Very low | 25.4 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | -122.9 | 167 | -153.4 | -70.6 | -82.5 | 0 | 0 | 0 | 117.2 | ||||
| 288 | L | 29.1 | Very low | 25.2 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 93% | 0.932 | 76% | 0.757 | S | S | * | * | trans | 108.1 | 134.9 | 136.4 | -154.1 | 70.4 | 0 | 0 | 0 | 120.7 | ||||
| 289 | G | 22.2 | Very low | 25 | Very low | 71 Ų | 71 | 144.2 Ų | 144.2 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | -168 | 159.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 290 | K | 24.6 | Very low | 24.9 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -162.3 | 145.4 | -155.7 | -180 | 179.5 | 171.4 | -174.6 | 0 | 118.6 | ||||
| 291 | D | 26.3 | Very low | 24.9 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 56% | 0.561 | 77% | 0.765 | S | S | * | * | trans | 54.7 | 128.6 | 156 | -78.7 | -59.6 | 0 | 0 | 0 | 126.7 | ||||
| 292 | R | 31.5 | Very low | 25.1 | Very low | 219 Ų | 219 | 137.2 Ų | 137.2 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | 62.3 | 136.5 | 125.4 | -66.6 | 168.6 | -174.1 | -120 | -4.5 | 128.4 | |||||
| 293 | L | 21 | Very low | 24.1 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | -171.3 | 151.8 | 126.1 | -130.2 | 56.1 | 0 | 0 | 0 | 109.5 | |||||
| 294 | A | 24.1 | Very low | 24.1 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | 100.4 | 134.2 | 4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 295 | N | 21.7 | Very low | 24 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | cis | -169.4 | 179.1 | -9.1 | -171 | 30.5 | 0 | 0 | 0 | 113.1 | ||||
| 296 | W | 22.4 | Very low | 23.9 | Very low | 217 Ų | 217 | 138.7 Ų | 138.7 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 83.2 | 164.6 | 164.6 | -39 | 108.1 | 0 | 0 | 0 | 118.8 | ||||
| 297 | T | 22.3 | Very low | 23.7 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | cis | -163 | 165.8 | 1.3 | -10.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 298 | E | 21.6 | Very low | 23.6 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | 81 | 168.5 | 148.6 | -84.7 | -66.8 | 112.1 | 0 | 0 | 125.5 | ||||
| 299 | K | 24.1 | Very low | 23.3 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -96.6 | 168 | -147.7 | -61.1 | 174.5 | -165.1 | 68.5 | 0 | 119 | ||||
| 300 | G | 21.7 | Very low | 23.3 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -165.4 | 165.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 301 | S | 22.4 | Very low | 23.4 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -149.5 | 166 | -175.8 | 68.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 302 | T | 23.3 | Very low | 24 | Very low | 148 Ų | 148 | 137 Ų | 137 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | trans | 64.8 | 157 | 170.1 | 55.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 303 | G | 23.5 | Very low | 23.6 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | -162.5 | 175.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 304 | K | 23.7 | Very low | 23.8 | Very low | 198 Ų | 198 | 136 Ų | 136 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -160.1 | 170.1 | 172 | -160.1 | 165.1 | -179.4 | -179.5 | 0 | 110.8 | ||||
| 305 | D | 23.1 | Very low | 23.7 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -68.1 | 152.9 | -169.9 | -42 | -94.2 | 0 | 0 | 0 | 116.6 | ||||
| 306 | G | 22.1 | Very low | 24.1 | Very low | 83 Ų | 83 | 139.8 Ų | 139.8 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | 125.8 | 102.4 | 134.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 307 | G | 22.8 | Very low | 24.3 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 101 | 123.1 | 137.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 308 | N | 22 | Very low | 24.5 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | 54.5 | 139.5 | 158.9 | -60.3 | 1.7 | 0 | 0 | 0 | 118.9 | ||||
| 309 | T | 22.8 | Very low | 24.9 | Very low | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | -163.9 | 163.2 | 57.9 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 310 | D | 23.2 | Very low | 25.1 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -77.6 | 154.7 | -173.3 | -58.1 | -87 | 0 | 0 | 0 | 117.9 | ||||
| 311 | E | 25.5 | Very low | 25.3 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | 60.3 | 169.4 | 153.2 | -87.4 | -96.8 | 96.4 | 0 | 0 | 118.8 | ||||
| 312 | P | 39.3 | Very low | 25.5 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 62% | 0.623 | 82% | 0.819 | S | S | * | * | cis | -126.1 | -175.5 | -11.5 | 31.3 | -11.5 | 0 | 0 | 0 | 115.3 | ||||
| 313 | T | 23.1 | Very low | 25.8 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | 105.3 | 113.2 | 152.8 | -41.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 314 | R | 24.2 | Very low | 26.2 | Very low | 238 Ų | 238 | 139.7 Ų | 139.7 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -131.4 | 143.6 | 166.2 | -84.4 | -179.6 | 167.6 | 172.7 | -2.8 | 110.2 | ||||
| 315 | L | 23.6 | Very low | 26.9 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | 162.7 | 159.9 | 132.3 | -88.8 | 179.7 | 0 | 0 | 0 | 109.2 | ||||
| 316 | P | 28.8 | Very low | 27.9 | Very low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | cis | -110.1 | 163.7 | -13 | 38.2 | -27.7 | 0 | 0 | 0 | 112.5 | ||||
| 317 | A | 27.4 | Very low | 29.3 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -116.6 | 136.5 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q319 | A317-Q319 PolarHBondContact O-N 3.48Š| ||
| 318 | E | 26.5 | Very low | 31.6 | Very low | 205 Ų | 205 | 135.9 Ų | 135.9 | 96% | 0.958 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 120.1 | 175.1 | -67.7 | -158.2 | 107.8 | 0 | 0 | 110.4 | ||
| 319 | Q | 29.8 | Very low | 34.4 | Very low | 182 Ų | 182 | 131.1 Ų | 131.1 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 128 | 170.5 | -68.9 | -175 | -67.6 | 0 | 0 | 109.4 | A317 | A317-Q319 PolarHBondContact O-N 3.48Š|
| 320 | G | 27.4 | Very low | 37 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 137.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S322 | G320-S322 PolarHBondContact O-N 3.08Š|
| 321 | Q | 26 | Very low | 39.8 | Very low | 192 Ų | 192 | 135 Ų | 135 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 122 | 179.3 | -62.7 | 174.2 | 2.9 | 0 | 0 | 110.3 | ||
| 322 | S | 26.5 | Very low | 42.8 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 131.5 | 169.9 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | G320 | G320-S322 PolarHBondContact O-N 3.08Š|
| 323 | P | 30.5 | Very low | 45.3 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 147.1 | 177.7 | -23.3 | 34.2 | 0 | 0 | 0 | 112.4 | ||
| 324 | P | 32.7 | Very low | 48.5 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 78% | 0.779 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -63.6 | 154 | 172.1 | 28.7 | -35 | 0 | 0 | 0 | 111.3 | I326 | P324-I326 PolarHBondContact O-N 2.94Š|
| 325 | G | 38 | Very low | 51.7 | Low | 84 Ų | 84 | 114 Ų | 114 | 87% | 0.866 | 64% | 0.641 | S | S | * | * | trans | -43.8 | 105.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | H327 | G325-H327 PolarHBondContact O-N 3.49Š| ||
| 326 | I | 44.7 | Very low | 54.9 | Low | 122 Ų | 122 | 106.2 Ų | 106.2 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | trans | -68.3 | 124.2 | 174.9 | -61.8 | 170.4 | 0 | 0 | 0 | 108.5 | P324 I328 | P324-I326 PolarHBondContact O-N 2.94Å; I326-I328 VanDerWaalsContact C-N 3.26Å; I326-I328 HydrophobicContact CB-CG1 4.47Å; I326-I328 HydrophobicContact CG2-CG1 4.1Å; I326-I328 PolarHBondContact O-N 3.32Å | ||
| 327 | H | 50.4 | Low | 58 | Low | 182 Ų | 182 | 100.4 Ų | 100.4 | 84% | 0.843 | 56% | 0.562 | S | S | * | * | trans | -76.1 | 78.7 | 173.3 | -174 | -66 | 0 | 0 | 0 | 110.2 | G325 S329 | G325-H327 PolarHBondContact O-N 3.49Å; H327-S329 PolarHBondContact O-N 3.08Å; H327-S329 VanDerWaalsContact O-N 3.14Å | ||
| 328 | I | 70.7 | Confident | 61 | Low | 34 Ų | 34 | 99.3 Ų | 99.3 | 17% | 0.174 | 54% | 0.543 | C | S | . | . | trans | -57.6 | 116.7 | -177.4 | -59.1 | 171.7 | 0 | 0 | 0 | 109.6 | I326 L332 L333 I336 F347 T356 | I326-I328 VanDerWaalsContact C-N 3.26Å; I326-I328 HydrophobicContact CB-CG1 4.47Å; I326-I328 HydrophobicContact CG2-CG1 4.1Å; I326-I328 PolarHBondContact O-N 3.32Å; I328-L332 HydrophobicContact CG2-CB 3.99Å; I328-L332 HydrophobicContact CG2-CD2 4.04Å; I328-L332 HydrophobicContact CG2-CG 4.17Å; I328-L333 HydrophobicContact CB-CD2 4.44Å; I328-L333 HydrophobicContact CG2-CD2 3.53Å; I328-L333 HydrophobicContact CG2-CG 3.78Å; I328-I336 HydrophobicContact CG2-CD1 4.43Å; I328-F347 HydrophobicContact CD1-CZ 3.73Å; I328-T356 HydrophobicContact CD1-CG2 3.68Å | ||
| 329 | S | 80.7 | Confident | 64.1 | Low | 58 Ų | 58 | 93.5 Ų | 93.5 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | trans | -72.7 | 154 | -178.8 | 79.3 | 0 | 0 | 0 | 0 | 111.7 | H327 R331 L332 L333 | H327-S329 PolarHBondContact O-N 3.08Å; H327-S329 VanDerWaalsContact O-N 3.14Å; S329-R331 PolarHBondContact O-N 2.7Å; S329-L332 WeakPolarHBondContact O-CA 3.45Å; S329-L332 VanDerWaalsContact O-CB 3.31Å; S329-L332 WeakPolarHBondContact O-CB 3.43Å; S329-L332 PolarHBondContact O-N 3.39Å; S329-L332 PolarHBondContact OG-N 2.75Å; S329-L333 PolarHBondContact O-N 3.06Å | ||
| 330 | K | 78.3 | Confident | 66.9 | Low | 144 Ų | 144 | 93.2 Ų | 93.2 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.1 | -32.1 | 177 | -69.1 | -171.5 | 175 | -176.8 | 0 | 113.5 | L332 L333 F334 | K330-L332 VanDerWaalsContact C-N 3.3Å; K330-L332 PolarHBondContact O-N 3.44Å; K330-L333 PolarHBondContact O-N 3.17Å; K330-F334 WeakPolarHBondContact O-CD2 3.18Å; K330-F334 PolarHBondContact O-N 3.37Å |
| 331 | R | 81.7 | Confident | 69.8 | Low | 217 Ų | 217 | 90.9 Ų | 90.9 | 82% | 0.819 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.9 | -39.9 | 171.4 | -71.4 | -174.7 | -178.5 | 168.1 | 0.1 | 111.7 | S329 F334 S335 | S329-R331 PolarHBondContact O-N 2.7Å; R331-F334 VanDerWaalsContact O-CB 3.31Å; R331-F334 WeakPolarHBondContact O-CB 3.21Å; R331-F334 PolarHBondContact O-N 2.86Å; R331-S335 PolarHBondContact O-N 2.88Å; R331-S335 PolarHBondContact O-OG 3.13Å |
| 332 | L | 89.1 | Confident | 72.7 | Confident | 63 Ų | 63 | 88.9 Ų | 88.9 | 33% | 0.33 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70 | -40.3 | 179.3 | -162 | 58 | 0 | 0 | 0 | 111.7 | I328 S329 K330 F334 S335 I336 W344 | I328-L332 HydrophobicContact CG2-CB 3.99Å; I328-L332 HydrophobicContact CG2-CD2 4.04Å; I328-L332 HydrophobicContact CG2-CG 4.17Å; S329-L332 WeakPolarHBondContact O-CA 3.45Å; S329-L332 VanDerWaalsContact O-CB 3.31Å; S329-L332 WeakPolarHBondContact O-CB 3.43Å; S329-L332 PolarHBondContact O-N 3.39Å; S329-L332 PolarHBondContact OG-N 2.75Å; K330-L332 VanDerWaalsContact C-N 3.3Å; K330-L332 PolarHBondContact O-N 3.44Å; L332-F334 VanDerWaalsContact C-N 3.3Å; L332-F334 PolarHBondContact O-N 3.25Å; L332-S335 WeakPolarHBondContact O-CB 3.28Å; L332-S335 PolarHBondContact O-N 3.14Å; L332-I336 HydrophobicContact CG-CD1 4.48Å; L332-I336 WeakPolarHBondContact O-CD1 3.33Å; L332-I336 VanDerWaalsContact O-CG1 3.3Å; L332-I336 WeakPolarHBondContact O-CG1 3.35Å; L332-I336 PolarHBondContact O-N 3.26Å; L332-W344 HydrophobicContact CD1-CH2 3.55Å; L332-W344 HydrophobicContact CD1-CZ2 3.96Å; L332-W344 HydrophobicContact CD1-CZ3 4.47Å; L332-W344 HydrophobicContact CG-CH2 4.3Å |
| 333 | L | 90.4 | Very high | 75.8 | Confident | 4 Ų | 4 | 88.9 Ų | 88.9 | 2% | 0.021 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 170.7 | -59.7 | 170.6 | 0 | 0 | 0 | 111.7 | I328 S329 K330 I336 V337 T356 E359 C360 I363 | I328-L333 HydrophobicContact CB-CD2 4.44Å; I328-L333 HydrophobicContact CG2-CD2 3.53Å; I328-L333 HydrophobicContact CG2-CG 3.78Å; S329-L333 PolarHBondContact O-N 3.06Å; K330-L333 PolarHBondContact O-N 3.17Å; L333-I336 HydrophobicContact CD2-CD1 4.41Å; L333-I336 PolarHBondContact O-N 2.88Å; L333-V337 WeakPolarHBondContact O-CB 3.42Å; L333-V337 VanDerWaalsContact O-CG2 3.25Å; L333-V337 WeakPolarHBondContact O-CG2 3.19Å; L333-V337 PolarHBondContact O-N 2.88Å; L333-T356 HydrophobicContact CD2-CG2 4.03Å; L333-E359 HydrophobicContact CD1-CB 3.87Å; L333-E359 WeakPolarHBondContact CD1-OE2 2.96Å; L333-C360 VanDerWaalsContact CD2-SG 3.6Å; L333-I363 HydrophobicContact CB-CD1 3.48Å; L333-I363 VanDerWaalsContact CB-CD1 3.48Å; L333-I363 HydrophobicContact CD1-CD1 3.87Å; L333-I363 HydrophobicContact CG-CD1 4.31Å |
| 334 | F | 90.9 | Very high | 78.7 | Confident | 81 Ų | 81 | 85.5 Ų | 85.5 | 36% | 0.355 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 172.5 | -103.4 | -91.2 | 0 | 0 | 0 | 112.1 | K330 R331 L332 V337 H338 I363 M378 | K330-F334 WeakPolarHBondContact O-CD2 3.18Å; K330-F334 PolarHBondContact O-N 3.37Å; R331-F334 VanDerWaalsContact O-CB 3.31Å; R331-F334 WeakPolarHBondContact O-CB 3.21Å; R331-F334 PolarHBondContact O-N 2.86Å; L332-F334 VanDerWaalsContact C-N 3.3Å; L332-F334 PolarHBondContact O-N 3.25Å; F334-V337 PolarHBondContact O-N 2.83Å; F334-H338 AromaticContact CD1-CE1 3.47Å; F334-H338 VanDerWaalsContact CD1-CE1 3.47Å; F334-H338 WeakPolarHBondContact CD1-CE1 3.17Å; F334-H338 AromaticContact CD1-ND1 3.61Å; F334-H338 AromaticContact CE1-CE1 3.81Å; F334-H338 PolarHBondContact O-N 2.91Å; F334-H338 PolarHBondContact O-ND1 3.08Å; F334-I363 HydrophobicContact CD1-CG2 4.46Å; F334-I363 HydrophobicContact CD2-CG2 4.09Å; F334-I363 HydrophobicContact CE2-CG2 4.19Å; F334-I363 HydrophobicContact CG-CG2 4.26Å; F334-I363 HydrophobicContact CZ-CG2 4.44Å; F334-M378 HydrophobicContact CE1-SD 4.5Å; F334-M378 HydrophobicContact CE2-CG 4.45Å; F334-M378 HydrophobicContact CE2-SD 3.5Å; F334-M378 WeakPolarHBondContact CE2-SD 3.37Å; F334-M378 HydrophobicContact CZ-CG 3.69Å; F334-M378 HydrophobicContact CZ-SD 3.34Å; F334-M378 WeakPolarHBondContact CZ-SD 3.13Å |
| 335 | S | 91.2 | Very high | 81.4 | Confident | 44 Ų | 44 | 81.6 Ų | 81.6 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.9 | -52.3 | 173.5 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | R331 L332 V337 H338 E339 | R331-S335 PolarHBondContact O-N 2.88Å; R331-S335 PolarHBondContact O-OG 3.13Å; L332-S335 WeakPolarHBondContact O-CB 3.28Å; L332-S335 PolarHBondContact O-N 3.14Å; S335-V337 PolarHBondContact O-N 2.83Å; S335-V337 VanDerWaalsContact O-N 3.1Å; S335-H338 PolarHBondContact O-N 3.49Å; S335-E339 WeakPolarHBondContact O-CA 3.33Å; S335-E339 WeakPolarHBondContact O-CB 3.2Å; S335-E339 PolarHBondContact O-N 2.82Å |
| 336 | I | 92.3 | Very high | 84 | Confident | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -50.3 | -41 | 177.2 | -69.5 | 156.6 | 0 | 0 | 0 | 111.7 | I328 L332 L333 W344 F347 I348 R422 | I328-I336 HydrophobicContact CG2-CD1 4.43Å; L332-I336 HydrophobicContact CG-CD1 4.48Å; L332-I336 WeakPolarHBondContact O-CD1 3.33Å; L332-I336 VanDerWaalsContact O-CG1 3.3Å; L332-I336 WeakPolarHBondContact O-CG1 3.35Å; L332-I336 PolarHBondContact O-N 3.26Å; L333-I336 HydrophobicContact CD2-CD1 4.41Å; L333-I336 PolarHBondContact O-N 2.88Å; I336-W344 HydrophobicContact CB-CD2 4.46Å; I336-W344 HydrophobicContact CD1-CE3 4.31Å; I336-W344 HydrophobicContact CD1-CZ3 4.32Å; I336-W344 HydrophobicContact CG1-CD2 3.71Å; I336-W344 HydrophobicContact CG1-CE3 3.41Å; I336-W344 VanDerWaalsContact CG1-CE3 3.41Å; I336-W344 HydrophobicContact CG1-CG 4.27Å; I336-W344 HydrophobicContact CG1-CH2 4.42Å; I336-W344 HydrophobicContact CG1-CZ3 3.8Å; I336-F347 HydrophobicContact CD1-CD1 3.89Å; I336-F347 HydrophobicContact CD1-CE1 3.55Å; I336-F347 HydrophobicContact CD1-CZ 4.31Å; I336-F347 HydrophobicContact CG1-CD1 4.14Å; I336-F347 HydrophobicContact CG1-CE1 4.3Å; I336-F347 HydrophobicContact CG2-CD1 4.35Å; I336-I348 HydrophobicContact CG2-CD1 3.95Å; I336-I348 HydrophobicContact CG2-CG1 3.94Å; I336-R422 PolarHBondContact O-NE 3.37Å |
| 337 | V | 93.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -78.2 | -41.6 | -177.2 | 170.5 | 0 | 0 | 0 | 0 | 113.7 | L333 F334 S335 C360 I363 L364 R422 H423 | L333-V337 WeakPolarHBondContact O-CB 3.42Å; L333-V337 VanDerWaalsContact O-CG2 3.25Å; L333-V337 WeakPolarHBondContact O-CG2 3.19Å; L333-V337 PolarHBondContact O-N 2.88Å; F334-V337 PolarHBondContact O-N 2.83Å; S335-V337 PolarHBondContact O-N 2.83Å; S335-V337 VanDerWaalsContact O-N 3.1Å; V337-C360 HydrophobicContact CG2-CB 3.87Å; V337-C360 VanDerWaalsContact CG2-O 3.3Å; V337-C360 WeakPolarHBondContact CG2-O 3.44Å; V337-I363 HydrophobicContact CB-CG2 4.45Å; V337-I363 HydrophobicContact CG1-CG2 4.44Å; V337-I363 HydrophobicContact CG2-CB 4.49Å; V337-I363 HydrophobicContact CG2-CG2 4.32Å; V337-L364 HydrophobicContact CG1-CB 3.68Å; V337-L364 HydrophobicContact CG1-CD1 3.87Å; V337-L364 HydrophobicContact CG1-CG 4.33Å; V337-R422 VanDerWaalsContact O-CD 3.25Å; V337-R422 WeakPolarHBondContact O-CD 3.4Å; V337-R422 PolarHBondContact O-NE 3.38Å; V337-H423 PolarHBondContact O-CE1 3.1Å |
| 338 | H | 89.4 | Confident | 88.2 | Confident | 61 Ų | 61 | 68 Ų | 68 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -105 | -22.2 | -169.1 | -57.7 | 85.1 | 0 | 0 | 0 | 114.1 | F334 S335 S367 H423 | F334-H338 AromaticContact CD1-CE1 3.47Å; F334-H338 VanDerWaalsContact CD1-CE1 3.47Å; F334-H338 WeakPolarHBondContact CD1-CE1 3.17Å; F334-H338 AromaticContact CD1-ND1 3.61Å; F334-H338 AromaticContact CE1-CE1 3.81Å; F334-H338 PolarHBondContact O-N 2.91Å; F334-H338 PolarHBondContact O-ND1 3.08Å; S335-H338 PolarHBondContact O-N 3.49Å; H338-S367 WeakPolarHBondContact NE2-CB 3.49Å; H338-S367 PolarHBondContact NE2-OG 3.16Å; H338-H423 VanDerWaalsContact CA-CE1 3.45Å; H338-H423 WeakPolarHBondContact CA-CE1 3.41Å; H338-H423 PolarHBondContact O-CE1 3.07Å |
| 339 | E | 92.3 | Very high | 89.2 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 39% | 0.388 | 34% | 0.338 | S | S | . | . | trans | -83.9 | 123.9 | 178.4 | -167.3 | -167.4 | 141.9 | 0 | 0 | 109.8 | S335 S341 W344 R422 H423 | S335-E339 WeakPolarHBondContact O-CA 3.33Å; S335-E339 WeakPolarHBondContact O-CB 3.2Å; S335-E339 PolarHBondContact O-N 2.82Å; E339-S341 PolarHBondContact O-N 2.95Å; E339-S341 WeakPolarHBondContact OE1-CB 3.31Å; E339-W344 PolarHBondContact OE1-NE1 3.23Å; E339-W344 PolarHBondContact OE2-NE1 3.21Å; E339-R422 PolarHBondContact O-NH2 3.33Å; E339-H423 PolarHBondContact N-CE1 3.02Å; E339-H423 PolarHBondContact O-CE1 3.12Å; E339-H423 PolarHBondContact O-NE2 3.39Å; E339-H423 VanDerWaalsContact O-NE2 3.13Å | ||
| 340 | K | 88.8 | Confident | 89.7 | Confident | 176 Ų | 176 | 77.3 Ų | 77.3 | 77% | 0.765 | 35% | 0.353 | S | S | * | . | trans | -87.8 | 81.1 | 176.5 | -168.1 | 177.3 | -179.7 | -177.7 | 0 | 109.7 | H423 | K340-H423 VanDerWaalsContact CA-NE2 3.35Å; K340-H423 WeakPolarHBondContact CA-NE2 3.41Å; K340-H423 PolarHBondContact N-CE1 2.97Å; K340-H423 VanDerWaalsContact N-CE1 3.32Å | ||
| 341 | S | 88.5 | Confident | 90.3 | Very high | 32 Ų | 32 | 71.4 Ų | 71.4 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | trans | -132.5 | 131.4 | -176.1 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | E339 K343 W344 D345 | E339-S341 PolarHBondContact O-N 2.95Å; E339-S341 WeakPolarHBondContact OE1-CB 3.31Å; S341-K343 PolarHBondContact O-N 2.87Å; S341-K343 VanDerWaalsContact O-N 3.12Å; S341-W344 WeakPolarHBondContact O-CA 3.38Å; S341-W344 PolarHBondContact O-N 2.7Å; S341-D345 PolarHBondContact O-N 2.77Å; S341-D345 VanDerWaalsContact O-N 3.09Å | ||
| 342 | E | 87.1 | Confident | 90.7 | Very high | 150 Ų | 150 | 69 Ų | 69 | 70% | 0.701 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.9 | -25.7 | 179.9 | -178.6 | 171.7 | -150.8 | 0 | 0 | 112.5 | D345 S346 | E342-D345 PolarHBondContact O-N 2.7Å; E342-S346 VanDerWaalsContact O-CB 3.29Å; E342-S346 WeakPolarHBondContact O-CB 3.31Å; E342-S346 PolarHBondContact O-N 3.26Å; E342-S346 PolarHBondContact O-OG 3.34Å |
| 343 | K | 90.7 | Very high | 90.8 | Very high | 112 Ų | 112 | 69.1 Ų | 69.1 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 169.5 | 179.9 | -178.7 | 178.4 | 179.5 | 0 | 111.7 | S155 S341 F347 | S155-K343 PolarHBondContact OG-NZ 2.97Å; S341-K343 PolarHBondContact O-N 2.87Å; S341-K343 VanDerWaalsContact O-N 3.12Å; K343-F347 WeakPolarHBondContact O-CB 3.41Å; K343-F347 PolarHBondContact O-N 3.15Å |
| 344 | W | 91.4 | Very high | 90.8 | Very high | 27 Ų | 27 | 71.1 Ų | 71.1 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -77.4 | -34.6 | 178.8 | -60.9 | 135.3 | 0 | 0 | 0 | 112.4 | L332 I336 E339 S341 S346 F347 I348 | L332-W344 HydrophobicContact CD1-CH2 3.55Å; L332-W344 HydrophobicContact CD1-CZ2 3.96Å; L332-W344 HydrophobicContact CD1-CZ3 4.47Å; L332-W344 HydrophobicContact CG-CH2 4.3Å; I336-W344 HydrophobicContact CB-CD2 4.46Å; I336-W344 HydrophobicContact CD1-CE3 4.31Å; I336-W344 HydrophobicContact CD1-CZ3 4.32Å; I336-W344 HydrophobicContact CG1-CD2 3.71Å; I336-W344 HydrophobicContact CG1-CE3 3.41Å; I336-W344 VanDerWaalsContact CG1-CE3 3.41Å; I336-W344 HydrophobicContact CG1-CG 4.27Å; I336-W344 HydrophobicContact CG1-CH2 4.42Å; I336-W344 HydrophobicContact CG1-CZ3 3.8Å; E339-W344 PolarHBondContact OE1-NE1 3.23Å; E339-W344 PolarHBondContact OE2-NE1 3.21Å; S341-W344 WeakPolarHBondContact O-CA 3.38Å; S341-W344 PolarHBondContact O-N 2.7Å; W344-S346 VanDerWaalsContact C-N 3.3Å; W344-S346 PolarHBondContact O-N 3.13Å; W344-F347 HydrophobicContact CE3-CB 4.16Å; W344-F347 HydrophobicContact CE3-CD1 4.45Å; W344-F347 HydrophobicContact CE3-CG 4.33Å; W344-F347 PolarHBondContact O-N 2.93Å; W344-I348 WeakPolarHBondContact O-CB 3.48Å; W344-I348 WeakPolarHBondContact O-CD1 3.36Å; W344-I348 WeakPolarHBondContact O-CG1 3.22Å; W344-I348 PolarHBondContact O-N 3.06Å |
| 345 | D | 90.6 | Very high | 90.9 | Very high | 39 Ų | 39 | 71.8 Ų | 71.8 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 172.5 | -56.2 | -40.7 | 0 | 0 | 0 | 111 | S341 E342 I348 R349 R422 | S341-D345 PolarHBondContact O-N 2.77Å; S341-D345 VanDerWaalsContact O-N 3.09Å; E342-D345 PolarHBondContact O-N 2.7Å; D345-I348 PolarHBondContact O-N 3.19Å; D345-R349 WeakPolarHBondContact O-CG 3.36Å; D345-R349 PolarHBondContact O-N 3.49Å; D345-R349 PolarHBondContact O-NH1 2.76Å; D345-R422 IonicContact OD1-CZ 2.69Å; D345-R422 IonicContact OD1-NH1 3.69Å; D345-R422 PolarHBondContact OD1-NH1 3.49Å; D345-R422 IonicContact OD1-NH2 2.73Å; D345-R422 PolarHBondContact OD1-NH2 3.49Å |
| 346 | S | 91.3 | Very high | 91 | Very high | 43 Ų | 43 | 70.7 Ų | 70.7 | 30% | 0.301 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 173.2 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | E342 W344 I348 R349 E350 | E342-S346 VanDerWaalsContact O-CB 3.29Å; E342-S346 WeakPolarHBondContact O-CB 3.31Å; E342-S346 PolarHBondContact O-N 3.26Å; E342-S346 PolarHBondContact O-OG 3.34Å; W344-S346 VanDerWaalsContact C-N 3.3Å; W344-S346 PolarHBondContact O-N 3.13Å; S346-I348 VanDerWaalsContact C-N 3.32Å; S346-I348 PolarHBondContact O-N 2.83Å; S346-R349 PolarHBondContact O-N 2.73Å; S346-R349 VanDerWaalsContact O-N 3.16Å; S346-R349 PolarHBondContact OG-NH2 3.05Å; S346-E350 WeakPolarHBondContact O-CB 3.47Å; S346-E350 PolarHBondContact O-N 2.94Å |
| 347 | F | 91.7 | Very high | 91.1 | Very high | 58 Ų | 58 | 70.8 Ų | 70.8 | 25% | 0.254 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 175.4 | 176.5 | -95.9 | 0 | 0 | 0 | 112.9 | I328 I336 K343 W344 E350 T351 T356 | I328-F347 HydrophobicContact CD1-CZ 3.73Å; I336-F347 HydrophobicContact CD1-CD1 3.89Å; I336-F347 HydrophobicContact CD1-CE1 3.55Å; I336-F347 HydrophobicContact CD1-CZ 4.31Å; I336-F347 HydrophobicContact CG1-CD1 4.14Å; I336-F347 HydrophobicContact CG1-CE1 4.3Å; I336-F347 HydrophobicContact CG2-CD1 4.35Å; K343-F347 WeakPolarHBondContact O-CB 3.41Å; K343-F347 PolarHBondContact O-N 3.15Å; W344-F347 HydrophobicContact CE3-CB 4.16Å; W344-F347 HydrophobicContact CE3-CD1 4.45Å; W344-F347 HydrophobicContact CE3-CG 4.33Å; W344-F347 PolarHBondContact O-N 2.93Å; F347-E350 PolarHBondContact O-N 3.44Å; F347-T351 WeakPolarHBondContact CE1-OG1 3.27Å; F347-T351 WeakPolarHBondContact CE2-OG1 3.43Å; F347-T351 HydrophobicContact CZ-CG2 4.49Å; F347-T351 WeakPolarHBondContact CZ-OG1 3.45Å; F347-T351 WeakPolarHBondContact O-CB 3.44Å; F347-T351 PolarHBondContact O-N 3.29Å; F347-T351 PolarHBondContact O-OG1 2.75Å; F347-T356 HydrophobicContact CE1-CG2 4.29Å; F347-T356 HydrophobicContact CZ-CG2 4.32Å |
| 348 | I | 93 | Very high | 91.2 | Very high | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 176.4 | -71 | 158.7 | 0 | 0 | 0 | 110.9 | I336 W344 D345 S346 K416 L419 | I336-I348 HydrophobicContact CG2-CD1 3.95Å; I336-I348 HydrophobicContact CG2-CG1 3.94Å; W344-I348 WeakPolarHBondContact O-CB 3.48Å; W344-I348 WeakPolarHBondContact O-CD1 3.36Å; W344-I348 WeakPolarHBondContact O-CG1 3.22Å; W344-I348 PolarHBondContact O-N 3.06Å; D345-I348 PolarHBondContact O-N 3.19Å; S346-I348 VanDerWaalsContact C-N 3.32Å; S346-I348 PolarHBondContact O-N 2.83Å; I348-K416 WeakPolarHBondContact O-CD 3.36Å; I348-K416 WeakPolarHBondContact O-CE 3.34Å; I348-L419 HydrophobicContact CD1-CB 4.14Å; I348-L419 HydrophobicContact CG1-CB 4.42Å; I348-L419 HydrophobicContact CG2-CB 3.7Å; I348-L419 HydrophobicContact CG2-CD1 4.32Å |
| 349 | R | 91.7 | Very high | 91.5 | Very high | 135 Ų | 135 | 75.5 Ų | 75.5 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 175.2 | -71.5 | -173.8 | -57.6 | -96.6 | 7.4 | 112.6 | D345 S346 K416 | D345-R349 WeakPolarHBondContact O-CG 3.36Å; D345-R349 PolarHBondContact O-N 3.49Å; D345-R349 PolarHBondContact O-NH1 2.76Å; S346-R349 PolarHBondContact O-N 2.73Å; S346-R349 VanDerWaalsContact O-N 3.16Å; S346-R349 PolarHBondContact OG-NH2 3.05Å; R349-K416 PolarHBondContact O-NZ 3.4Å |
| 350 | E | 90.3 | Very high | 91.6 | Very high | 153 Ų | 153 | 71.6 Ų | 71.6 | 72% | 0.715 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -78.6 | -42.2 | -177.2 | -170.5 | 175 | -168 | 0 | 0 | 113 | S346 F347 E352 | S346-E350 WeakPolarHBondContact O-CB 3.47Å; S346-E350 PolarHBondContact O-N 2.94Å; F347-E350 PolarHBondContact O-N 3.44Å; E350-E352 PolarHBondContact O-N 3.03Å |
| 351 | T | 90.3 | Very high | 92 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | trans | -56.8 | 122.2 | -174.3 | -66.7 | 0 | 0 | 0 | 0 | 112.9 | F347 D353 T356 L357 K416 | F347-T351 WeakPolarHBondContact CE1-OG1 3.27Å; F347-T351 WeakPolarHBondContact CE2-OG1 3.43Å; F347-T351 HydrophobicContact CZ-CG2 4.49Å; F347-T351 WeakPolarHBondContact CZ-OG1 3.45Å; F347-T351 WeakPolarHBondContact O-CB 3.44Å; F347-T351 PolarHBondContact O-N 3.29Å; F347-T351 PolarHBondContact O-OG1 2.75Å; T351-D353 HydrophobicContact CG2-CB 4.3Å; T351-T356 HydrophobicContact CG2-CG2 4.26Å; T351-L357 HydrophobicContact CG2-CD2 4.33Å; T351-L357 HydrophobicContact CG2-CG 4.11Å; T351-K416 WeakPolarHBondContact O-CE 3.34Å; T351-K416 PolarHBondContact O-NZ 3.24Å | ||
| 352 | E | 90.9 | Very high | 92.3 | Very high | 166 Ų | 166 | 64.4 Ų | 64.4 | 78% | 0.776 | 30% | 0.304 | S | S | * | . | trans | -96.8 | -15.4 | 174.1 | -58.3 | -159.3 | 137.7 | 0 | 0 | 113.7 | E350 I354 | E350-E352 PolarHBondContact O-N 3.03Å; E352-I354 PolarHBondContact O-N 3.05Å | ||
| 353 | D | 90.8 | Very high | 92.7 | Very high | 66 Ų | 66 | 57.9 Ų | 57.9 | 35% | 0.353 | 27% | 0.274 | S | S | . | . | trans | -65.4 | 107.9 | 178.7 | 174.6 | 35.1 | 0 | 0 | 0 | 112 | T351 N355 T356 L357 | T351-D353 HydrophobicContact CG2-CB 4.3Å; D353-N355 PolarHBondContact O-N 3.12Å; D353-N355 WeakPolarHBondContact OD1-CB 3.4Å; D353-N355 PolarHBondContact OD1-N 3.11Å; D353-N355 PolarHBondContact OD1-ND2 3.22Å; D353-T356 PolarHBondContact O-N 3.02Å; D353-T356 WeakPolarHBondContact OD2-CB 3.4Å; D353-T356 PolarHBondContact OD2-N 3.05Å; D353-T356 PolarHBondContact OD2-OG1 2.97Å; D353-L357 WeakPolarHBondContact O-CG 3.32Å; D353-L357 PolarHBondContact O-N 3.11Å; D353-L357 VanDerWaalsContact O-N 3.14Å | ||
| 354 | I | 91.7 | Very high | 92.9 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 24% | 0.236 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -25.7 | 176.1 | -163.1 | 171.7 | 0 | 0 | 0 | 112.8 | E352 R358 V412 L415 | E352-I354 PolarHBondContact O-N 3.05Å; I354-R358 HydrophobicContact CG1-CG 4.48Å; I354-R358 VanDerWaalsContact O-CB 3.26Å; I354-R358 WeakPolarHBondContact O-CB 3.49Å; I354-R358 WeakPolarHBondContact O-CD 3.42Å; I354-R358 WeakPolarHBondContact O-CG 3.17Å; I354-R358 PolarHBondContact O-N 3.45Å; I354-V412 HydrophobicContact CB-CG2 3.71Å; I354-V412 HydrophobicContact CD1-CG2 4.11Å; I354-V412 HydrophobicContact CG1-CG2 3.78Å; I354-L415 HydrophobicContact CG1-CD1 3.84Å |
| 355 | N | 92.8 | Very high | 93.1 | Very high | 95 Ų | 95 | 51.3 Ų | 51.3 | 51% | 0.508 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -77.8 | -48.6 | -177.5 | -55 | -70.7 | 0 | 0 | 0 | 111.3 | D353 L357 R358 E359 | D353-N355 PolarHBondContact O-N 3.12Å; D353-N355 WeakPolarHBondContact OD1-CB 3.4Å; D353-N355 PolarHBondContact OD1-N 3.11Å; D353-N355 PolarHBondContact OD1-ND2 3.22Å; N355-L357 VanDerWaalsContact C-N 3.32Å; N355-L357 PolarHBondContact O-N 2.73Å; N355-R358 CarbonylContact O-C 3.44Å; N355-R358 WeakPolarHBondContact O-CB 3.46Å; N355-R358 PolarHBondContact O-N 3.33Å; N355-R358 VanDerWaalsContact O-N 3.12Å; N355-E359 PolarHBondContact O-N 2.89Å |
| 356 | T | 92.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 14% | 0.135 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.9 | -49 | 169.2 | -65.6 | 0 | 0 | 0 | 0 | 111 | I328 L333 F347 T351 D353 R358 E359 C360 | I328-T356 HydrophobicContact CD1-CG2 3.68Å; L333-T356 HydrophobicContact CD2-CG2 4.03Å; F347-T356 HydrophobicContact CE1-CG2 4.29Å; F347-T356 HydrophobicContact CZ-CG2 4.32Å; T351-T356 HydrophobicContact CG2-CG2 4.26Å; D353-T356 PolarHBondContact O-N 3.02Å; D353-T356 WeakPolarHBondContact OD2-CB 3.4Å; D353-T356 PolarHBondContact OD2-N 3.05Å; D353-T356 PolarHBondContact OD2-OG1 2.97Å; T356-R358 VanDerWaalsContact C-N 3.33Å; T356-R358 PolarHBondContact O-N 3.18Å; T356-E359 PolarHBondContact O-N 3.04Å; T356-C360 PolarHBondContact O-N 3.31Å; T356-C360 PolarHBondContact O-SG 3.03Å |
| 357 | L | 94.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -36.2 | 177.8 | -66.3 | 170.8 | 0 | 0 | 0 | 112.6 | T351 D353 N355 V361 V412 L415 K416 L419 | T351-L357 HydrophobicContact CG2-CD2 4.33Å; T351-L357 HydrophobicContact CG2-CG 4.11Å; D353-L357 WeakPolarHBondContact O-CG 3.32Å; D353-L357 PolarHBondContact O-N 3.11Å; D353-L357 VanDerWaalsContact O-N 3.14Å; N355-L357 VanDerWaalsContact C-N 3.32Å; N355-L357 PolarHBondContact O-N 2.73Å; L357-V361 WeakPolarHBondContact O-CG2 3.37Å; L357-V361 PolarHBondContact O-N 2.82Å; L357-V361 VanDerWaalsContact O-N 3.09Å; L357-V412 HydrophobicContact CD1-CB 4.46Å; L357-V412 HydrophobicContact CD1-CG1 3.8Å; L357-V412 HydrophobicContact CD1-CG2 4.31Å; L357-L415 HydrophobicContact CB-CB 4.04Å; L357-L415 HydrophobicContact CB-CD1 4.06Å; L357-K416 HydrophobicContact CD1-CG 4.16Å; L357-K416 HydrophobicContact CD2-CG 4.38Å; L357-L419 HydrophobicContact CD2-CD1 3.69Å |
| 358 | R | 95.9 | Very high | 93.7 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 27% | 0.272 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 173.5 | -80 | 166.9 | 174.4 | 173.2 | -1.3 | 112.4 | I354 N355 T356 Q362 C408 Y410 L415 | I354-R358 HydrophobicContact CG1-CG 4.48Å; I354-R358 VanDerWaalsContact O-CB 3.26Å; I354-R358 WeakPolarHBondContact O-CB 3.49Å; I354-R358 WeakPolarHBondContact O-CD 3.42Å; I354-R358 WeakPolarHBondContact O-CG 3.17Å; I354-R358 PolarHBondContact O-N 3.45Å; N355-R358 CarbonylContact O-C 3.44Å; N355-R358 WeakPolarHBondContact O-CB 3.46Å; N355-R358 PolarHBondContact O-N 3.33Å; N355-R358 VanDerWaalsContact O-N 3.12Å; T356-R358 VanDerWaalsContact C-N 3.33Å; T356-R358 PolarHBondContact O-N 3.18Å; R358-Q362 VanDerWaalsContact O-CB 3.26Å; R358-Q362 WeakPolarHBondContact O-CB 3.41Å; R358-Q362 PolarHBondContact O-N 3.38Å; R358-C408 PolarHBondContact NH2-O 3.14Å; R358-C408 VanDerWaalsContact NH2-O 3.14Å; R358-Y410 PolarHBondContact NH2-O 3.44Å; R358-L415 HydrophobicContact CG-CD1 3.74Å; R358-L415 HydrophobicContact CG-CD2 4.2Å |
| 359 | E | 94.6 | Very high | 93.8 | Very high | 89 Ų | 89 | 49.1 Ų | 49.1 | 42% | 0.416 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.1 | -43.9 | 174.7 | -69 | -131.6 | 157.6 | 0 | 0 | 111.1 | L333 N355 T356 V361 Q362 I363 | L333-E359 HydrophobicContact CD1-CB 3.87Å; L333-E359 WeakPolarHBondContact CD1-OE2 2.96Å; N355-E359 PolarHBondContact O-N 2.89Å; T356-E359 PolarHBondContact O-N 3.04Å; E359-V361 PolarHBondContact O-N 2.99Å; E359-Q362 PolarHBondContact O-N 3.41Å; E359-Q362 VanDerWaalsContact O-N 3.14Å; E359-I363 WeakPolarHBondContact O-CB 3.39Å; E359-I363 VanDerWaalsContact O-CG1 3.31Å; E359-I363 WeakPolarHBondContact O-CG1 3.24Å; E359-I363 PolarHBondContact O-N 2.9Å |
| 360 | C | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.4 | -49.8 | 174.3 | -73.4 | 0 | 0 | 0 | 0 | 112.2 | L333 V337 T356 Q362 I363 L364 L419 | L333-C360 VanDerWaalsContact CD2-SG 3.6Å; V337-C360 HydrophobicContact CG2-CB 3.87Å; V337-C360 VanDerWaalsContact CG2-O 3.3Å; V337-C360 WeakPolarHBondContact CG2-O 3.44Å; T356-C360 PolarHBondContact O-N 3.31Å; T356-C360 PolarHBondContact O-SG 3.03Å; C360-Q362 VanDerWaalsContact C-N 3.32Å; C360-Q362 PolarHBondContact O-N 3.29Å; C360-I363 PolarHBondContact O-N 3.13Å; C360-L364 WeakPolarHBondContact O-CB 3.14Å; C360-L364 PolarHBondContact O-N 2.89Å; C360-L419 HydrophobicContact CB-CD1 3.75Å; C360-L419 HydrophobicContact CB-CD2 3.75Å; C360-L419 HydrophobicContact CB-CG 4.42Å |
| 361 | V | 96 | Very high | 94 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.3 | -33 | 177.7 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | L357 E359 F365 P407 L415 I418 L419 | L357-V361 WeakPolarHBondContact O-CG2 3.37Å; L357-V361 PolarHBondContact O-N 2.82Å; L357-V361 VanDerWaalsContact O-N 3.09Å; E359-V361 PolarHBondContact O-N 2.99Å; V361-F365 HydrophobicContact CG1-CD2 3.77Å; V361-F365 HydrophobicContact CG1-CE1 4.36Å; V361-F365 HydrophobicContact CG1-CE2 3.44Å; V361-F365 VanDerWaalsContact CG1-CE2 3.44Å; V361-F365 HydrophobicContact CG1-CG 4.4Å; V361-F365 HydrophobicContact CG1-CZ 3.76Å; V361-F365 WeakPolarHBondContact O-CG 3.31Å; V361-F365 PolarHBondContact O-N 3.18Å; V361-P407 HydrophobicContact CB-CB 4.31Å; V361-P407 HydrophobicContact CB-CG 4.46Å; V361-P407 HydrophobicContact CG1-CB 4.2Å; V361-P407 HydrophobicContact CG1-CG 4.05Å; V361-L415 HydrophobicContact CB-CD2 4.08Å; V361-L415 HydrophobicContact CG1-CD2 4.48Å; V361-L415 HydrophobicContact CG2-CD2 3.77Å; V361-I418 HydrophobicContact CG1-CD1 4.49Å; V361-I418 HydrophobicContact CG1-CG2 3.84Å; V361-I418 HydrophobicContact CG2-CB 4.28Å; V361-I418 HydrophobicContact CG2-CG2 3.97Å; V361-L419 HydrophobicContact CG2-CD1 3.98Å; V361-L419 HydrophobicContact CG2-CD2 3.68Å; V361-L419 HydrophobicContact CG2-CG 3.57Å |
| 362 | Q | 95.4 | Very high | 94.1 | Very high | 57 Ų | 57 | 41.1 Ų | 41.1 | 27% | 0.266 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69.1 | -36.8 | 175.6 | -170.4 | 59.7 | 90.8 | 0 | 0 | 112.5 | R358 E359 C360 N366 Y383 P407 | R358-Q362 VanDerWaalsContact O-CB 3.26Å; R358-Q362 WeakPolarHBondContact O-CB 3.41Å; R358-Q362 PolarHBondContact O-N 3.38Å; E359-Q362 PolarHBondContact O-N 3.41Å; E359-Q362 VanDerWaalsContact O-N 3.14Å; C360-Q362 VanDerWaalsContact C-N 3.32Å; C360-Q362 PolarHBondContact O-N 3.29Å; Q362-N366 PolarHBondContact NE2-ND2 3.12Å; Q362-N366 PolarHBondContact NE2-OD1 3Å; Q362-N366 WeakPolarHBondContact O-CB 3.41Å; Q362-N366 PolarHBondContact O-N 2.88Å; Q362-N366 VanDerWaalsContact O-N 3.16Å; Q362-N366 PolarHBondContact O-ND2 2.9Å; Q362-Y383 PolarHBondContact NE2-OH 3.1Å; Q362-P407 HydrophobicContact CB-CB 4.44Å; Q362-P407 HydrophobicContact CB-CG 3.92Å; Q362-P407 HydrophobicContact CG-CG 4.48Å |
| 363 | I | 95 | Very high | 94.1 | Very high | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.6 | -48.8 | 174.7 | -72.2 | 162.6 | 0 | 0 | 0 | 109.9 | L333 F334 V337 E359 C360 F365 N366 S367 M378 | L333-I363 HydrophobicContact CB-CD1 3.48Å; L333-I363 VanDerWaalsContact CB-CD1 3.48Å; L333-I363 HydrophobicContact CD1-CD1 3.87Å; L333-I363 HydrophobicContact CG-CD1 4.31Å; F334-I363 HydrophobicContact CD1-CG2 4.46Å; F334-I363 HydrophobicContact CD2-CG2 4.09Å; F334-I363 HydrophobicContact CE2-CG2 4.19Å; F334-I363 HydrophobicContact CG-CG2 4.26Å; F334-I363 HydrophobicContact CZ-CG2 4.44Å; V337-I363 HydrophobicContact CB-CG2 4.45Å; V337-I363 HydrophobicContact CG1-CG2 4.44Å; V337-I363 HydrophobicContact CG2-CB 4.49Å; V337-I363 HydrophobicContact CG2-CG2 4.32Å; E359-I363 WeakPolarHBondContact O-CB 3.39Å; E359-I363 VanDerWaalsContact O-CG1 3.31Å; E359-I363 WeakPolarHBondContact O-CG1 3.24Å; E359-I363 PolarHBondContact O-N 2.9Å; C360-I363 PolarHBondContact O-N 3.13Å; I363-F365 PolarHBondContact O-N 3.13Å; I363-N366 PolarHBondContact O-N 3.13Å; I363-S367 VanDerWaalsContact O-CB 3.22Å; I363-S367 WeakPolarHBondContact O-CB 3.34Å; I363-S367 PolarHBondContact O-N 2.98Å; I363-M378 HydrophobicContact CB-CE 4.14Å; I363-M378 HydrophobicContact CG1-CE 3.96Å; I363-M378 HydrophobicContact CG2-CE 4.21Å |
| 364 | L | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.6 | -55.4 | 175.9 | 175.8 | 60.1 | 0 | 0 | 0 | 112.1 | V337 C360 N366 S367 R368 I418 L419 R422 I425 | V337-L364 HydrophobicContact CG1-CB 3.68Å; V337-L364 HydrophobicContact CG1-CD1 3.87Å; V337-L364 HydrophobicContact CG1-CG 4.33Å; C360-L364 WeakPolarHBondContact O-CB 3.14Å; C360-L364 PolarHBondContact O-N 2.89Å; L364-N366 PolarHBondContact O-N 3.28Å; L364-S367 PolarHBondContact O-N 3.15Å; L364-R368 HydrophobicContact CD1-CG 3.84Å; L364-R368 WeakPolarHBondContact O-CG 3.22Å; L364-R368 PolarHBondContact O-N 3.14Å; L364-I418 HydrophobicContact CD2-CG2 4.32Å; L364-L419 HydrophobicContact CD2-CD2 4.34Å; L364-R422 HydrophobicContact CD1-CB 4.07Å; L364-R422 WeakPolarHBondContact CD1-O 3.33Å; L364-R422 HydrophobicContact CD2-CB 3.65Å; L364-I425 HydrophobicContact CD2-CD1 3.79Å; L364-I425 HydrophobicContact CG-CG2 4.5Å |
| 365 | F | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.9 | -39.6 | -177.6 | -70 | -22.4 | 0 | 0 | 0 | 113 | V361 I363 S367 Y369 V381 Y383 I398 F404 P407 Y410 I418 I425 F427 | V361-F365 HydrophobicContact CG1-CD2 3.77Å; V361-F365 HydrophobicContact CG1-CE1 4.36Å; V361-F365 HydrophobicContact CG1-CE2 3.44Å; V361-F365 VanDerWaalsContact CG1-CE2 3.44Å; V361-F365 HydrophobicContact CG1-CG 4.4Å; V361-F365 HydrophobicContact CG1-CZ 3.76Å; V361-F365 WeakPolarHBondContact O-CG 3.31Å; V361-F365 PolarHBondContact O-N 3.18Å; I363-F365 PolarHBondContact O-N 3.13Å; F365-S367 VanDerWaalsContact C-N 3.34Å; F365-Y369 WeakPolarHBondContact O-CB 3.39Å; F365-Y369 PolarHBondContact O-N 3.22Å; F365-Y369 VanDerWaalsContact O-N 3.09Å; F365-V381 HydrophobicContact CB-CG2 4.02Å; F365-V381 VanDerWaalsContact O-CG2 3.25Å; F365-V381 WeakPolarHBondContact O-CG2 3.49Å; F365-Y383 HydrophobicContact CD2-CE1 4.38Å; F365-I398 HydrophobicContact CE1-CD1 4.19Å; F365-I398 HydrophobicContact CZ-CD1 4.29Å; F365-F404 HydrophobicContact CD1-CE2 4.19Å; F365-F404 AromaticContact CD2-CE2 3.87Å; F365-F404 HydrophobicContact CD2-CE2 3.87Å; F365-F404 HydrophobicContact CE1-CE2 4.06Å; F365-F404 HydrophobicContact CE2-CD2 4.22Å; F365-F404 AromaticContact CE2-CE2 3.71Å; F365-F404 HydrophobicContact CE2-CE2 3.71Å; F365-F404 HydrophobicContact CG-CE2 4.1Å; F365-F404 HydrophobicContact CZ-CD2 4.08Å; F365-F404 AromaticContact CZ-CE2 3.81Å; F365-F404 HydrophobicContact CZ-CE2 3.81Å; F365-P407 HydrophobicContact CD2-CG 4.16Å; F365-Y410 HydrophobicContact CE2-CE2 4.15Å; F365-I418 HydrophobicContact CE1-CG2 4.08Å; F365-I418 HydrophobicContact CZ-CG2 3.93Å; F365-I425 HydrophobicContact CD1-CG2 4.24Å; F365-I425 HydrophobicContact CE1-CD1 4.34Å; F365-I425 HydrophobicContact CE1-CG2 4.18Å; F365-F427 HydrophobicContact CB-CE2 4.47Å; F365-F427 HydrophobicContact CB-CZ 4.27Å; F365-F427 HydrophobicContact CD1-CE2 4.24Å; F365-F427 HydrophobicContact CD1-CZ 4.22Å; F365-F427 HydrophobicContact CG-CZ 4.42Å |
| 366 | N | 95 | Very high | 93.3 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 10% | 0.102 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.3 | -28.1 | 178.2 | -71.5 | -6.3 | 0 | 0 | 0 | 113 | Q362 I363 L364 A370 M378 V379 P380 V381 | Q362-N366 PolarHBondContact NE2-ND2 3.12Å; Q362-N366 PolarHBondContact NE2-OD1 3Å; Q362-N366 WeakPolarHBondContact O-CB 3.41Å; Q362-N366 PolarHBondContact O-N 2.88Å; Q362-N366 VanDerWaalsContact O-N 3.16Å; Q362-N366 PolarHBondContact O-ND2 2.9Å; I363-N366 PolarHBondContact O-N 3.13Å; L364-N366 PolarHBondContact O-N 3.28Å; N366-A370 WeakPolarHBondContact O-CB 3.42Å; N366-A370 PolarHBondContact O-N 3Å; N366-M378 HydrophobicContact CB-CB 4.34Å; N366-M378 HydrophobicContact CB-CE 3.57Å; N366-V379 WeakPolarHBondContact CA-O 3.37Å; N366-V379 WeakPolarHBondContact CB-O 3.41Å; N366-V379 PolarHBondContact O-N 2.84Å; N366-P380 WeakPolarHBondContact OD1-CA 3.49Å; N366-V381 PolarHBondContact OD1-N 3.41Å; N366-V381 VanDerWaalsContact OD1-N 3.1Å |
| 367 | S | 94.8 | Very high | 92.9 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.9 | -54.8 | 175 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | H338 I363 L364 F365 Y369 A370 E371 | H338-S367 WeakPolarHBondContact NE2-CB 3.49Å; H338-S367 PolarHBondContact NE2-OG 3.16Å; I363-S367 VanDerWaalsContact O-CB 3.22Å; I363-S367 WeakPolarHBondContact O-CB 3.34Å; I363-S367 PolarHBondContact O-N 2.98Å; L364-S367 PolarHBondContact O-N 3.15Å; F365-S367 VanDerWaalsContact C-N 3.34Å; S367-Y369 PolarHBondContact O-N 3.38Å; S367-A370 WeakPolarHBondContact O-CB 3.07Å; S367-A370 PolarHBondContact O-N 3.38Å; S367-E371 PolarHBondContact O-N 2.85Å |
| 368 | R | 95 | Very high | 92.6 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 14% | 0.143 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -25.1 | 179.2 | -61.6 | -60 | -170.8 | -157.4 | -3.9 | 113.8 | L364 E371 A372 I425 F427 | L364-R368 HydrophobicContact CD1-CG 3.84Å; L364-R368 WeakPolarHBondContact O-CG 3.22Å; L364-R368 PolarHBondContact O-N 3.14Å; R368-E371 WeakPolarHBondContact CD-OE2 3.44Å; R368-E371 IonicContact CZ-OE2 3.65Å; R368-E371 IonicContact NE-OE2 3.15Å; R368-E371 IonicContact NH1-OE1 3.04Å; R368-E371 PolarHBondContact NH1-OE1 2.95Å; R368-E371 IonicContact NH1-OE2 3.63Å; R368-E371 PolarHBondContact NH1-OE2 3.17Å; R368-A372 WeakPolarHBondContact O-CB 3.45Å; R368-A372 PolarHBondContact O-N 2.84Å; R368-I425 VanDerWaalsContact CD-O 3.3Å; R368-I425 WeakPolarHBondContact CD-O 3.44Å; R368-I425 HydrophobicContact CG-CG2 4.43Å; R368-I425 WeakPolarHBondContact CG-O 3.48Å; R368-I425 PolarHBondContact NE-O 3.23Å; R368-F427 HydrophobicContact CB-CD2 3.63Å; R368-F427 HydrophobicContact CB-CE2 3.91Å |
| 369 | Y | 95.4 | Very high | 92.3 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -79.6 | -29.5 | 172.8 | -177.6 | -103.2 | 0 | 0 | 0 | 113.1 | F365 S367 L373 V379 V381 P382 F427 I429 | F365-Y369 WeakPolarHBondContact O-CB 3.39Å; F365-Y369 PolarHBondContact O-N 3.22Å; F365-Y369 VanDerWaalsContact O-N 3.09Å; S367-Y369 PolarHBondContact O-N 3.38Å; Y369-L373 HydrophobicContact CD1-CD1 4.04Å; Y369-L373 HydrophobicContact CE1-CD1 3.59Å; Y369-L373 HydrophobicContact CE1-CG 4.47Å; Y369-L373 WeakPolarHBondContact O-CG 3.48Å; Y369-L373 PolarHBondContact O-N 3.14Å; Y369-V379 HydrophobicContact CD1-CB 4.04Å; Y369-V379 HydrophobicContact CD1-CG1 3.92Å; Y369-V379 HydrophobicContact CE1-CB 4.37Å; Y369-V379 HydrophobicContact CE1-CG1 3.77Å; Y369-V381 HydrophobicContact CD1-CG2 4.28Å; Y369-V381 HydrophobicContact CD2-CG1 4.41Å; Y369-V381 HydrophobicContact CG-CG1 4.44Å; Y369-V381 HydrophobicContact CG-CG2 3.96Å; Y369-P382 VanDerWaalsContact CE1-CD 3.5Å; Y369-P382 HydrophobicContact CE1-CG 4.31Å; Y369-P382 HydrophobicContact CE2-CG 4.43Å; Y369-P382 VanDerWaalsContact CZ-CD 3.4Å; Y369-P382 WeakPolarHBondContact OH-CG 3.45Å; Y369-F427 AromaticContact CD2-CD1 3.87Å; Y369-F427 HydrophobicContact CD2-CD1 3.87Å; Y369-F427 HydrophobicContact CD2-CE1 4.31Å; Y369-F427 HydrophobicContact CD2-CG 4.28Å; Y369-I429 HydrophobicContact CE2-CD1 4.23Å |
| 370 | A | 93.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.9 | -42.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | N366 S367 A372 L373 G374 L375 H377 V379 | N366-A370 WeakPolarHBondContact O-CB 3.42Å; N366-A370 PolarHBondContact O-N 3Å; S367-A370 WeakPolarHBondContact O-CB 3.07Å; S367-A370 PolarHBondContact O-N 3.38Å; A370-A372 VanDerWaalsContact C-N 3.28Å; A370-A372 PolarHBondContact O-N 3.19Å; A370-L373 CarbonylContact O-C 3.58Å; A370-L373 WeakPolarHBondContact O-CA 3.46Å; A370-L373 WeakPolarHBondContact O-CB 3.05Å; A370-L373 PolarHBondContact O-N 3.09Å; A370-G374 PolarHBondContact O-N 3Å; A370-G374 VanDerWaalsContact O-N 3.11Å; A370-L375 CarbonylContact C-O 3.6Å; A370-L375 HydrophobicContact CB-CB 4.42Å; A370-L375 PolarHBondContact O-N 3.26Å; A370-H377 WeakPolarHBondContact CB-O 3.36Å; A370-V379 HydrophobicContact CB-CB 4.21Å; A370-V379 HydrophobicContact CB-CG2 3.95Å |
| 371 | E | 92.9 | Very high | 92.2 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 50% | 0.495 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -53.5 | -45.8 | 171.3 | -174.5 | -179.7 | -178.5 | 0 | 0 | 110.9 | S367 R368 L373 G374 | S367-E371 PolarHBondContact O-N 2.85Å; R368-E371 WeakPolarHBondContact CD-OE2 3.44Å; R368-E371 IonicContact CZ-OE2 3.65Å; R368-E371 IonicContact NE-OE2 3.15Å; R368-E371 IonicContact NH1-OE1 3.04Å; R368-E371 PolarHBondContact NH1-OE1 2.95Å; R368-E371 IonicContact NH1-OE2 3.63Å; R368-E371 PolarHBondContact NH1-OE2 3.17Å; E371-L373 PolarHBondContact O-N 3.29Å; E371-G374 PolarHBondContact O-N 3.16Å |
| 372 | A | 92.8 | Very high | 92 | Very high | 32 Ų | 32 | 48.5 Ų | 48.5 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R368 A370 F427 I429 | R368-A372 WeakPolarHBondContact O-CB 3.45Å; R368-A372 PolarHBondContact O-N 2.84Å; A370-A372 VanDerWaalsContact C-N 3.28Å; A370-A372 PolarHBondContact O-N 3.19Å; A372-F427 HydrophobicContact CB-CB 3.68Å; A372-F427 VanDerWaalsContact CB-O 3.26Å; A372-F427 WeakPolarHBondContact CB-O 3.37Å; A372-I429 HydrophobicContact CB-CD1 4.35Å; A372-I429 HydrophobicContact CB-CG1 4.24Å; A372-I429 WeakPolarHBondContact O-CD1 3.26Å |
| 373 | L | 90 | Very high | 91.8 | Very high | 57 Ų | 57 | 46.6 Ų | 46.6 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -7 | 170.3 | -75.5 | 166.6 | 0 | 0 | 0 | 112.8 | Y369 A370 E371 L375 V379 I429 | Y369-L373 HydrophobicContact CD1-CD1 4.04Å; Y369-L373 HydrophobicContact CE1-CD1 3.59Å; Y369-L373 HydrophobicContact CE1-CG 4.47Å; Y369-L373 WeakPolarHBondContact O-CG 3.48Å; Y369-L373 PolarHBondContact O-N 3.14Å; A370-L373 CarbonylContact O-C 3.58Å; A370-L373 WeakPolarHBondContact O-CA 3.46Å; A370-L373 WeakPolarHBondContact O-CB 3.05Å; A370-L373 PolarHBondContact O-N 3.09Å; E371-L373 PolarHBondContact O-N 3.29Å; L373-L375 HydrophobicContact CB-CB 4.49Å; L373-L375 HydrophobicContact CB-CD1 3.79Å; L373-L375 HydrophobicContact CB-CG 3.93Å; L373-L375 HydrophobicContact CD1-CD1 4.07Å; L373-V379 HydrophobicContact CD1-CB 4.18Å; L373-V379 HydrophobicContact CD1-CG1 3.97Å; L373-V379 HydrophobicContact CD1-CG2 4.11Å; L373-I429 HydrophobicContact CD2-CD1 3.39Å; L373-I429 HydrophobicContact CG-CD1 3.61Å |
| 374 | G | 89.8 | Confident | 91.5 | Very high | 65 Ų | 65 | 55.8 Ų | 55.8 | 67% | 0.67 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 37.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A370 E371 | A370-G374 PolarHBondContact O-N 3Å; A370-G374 VanDerWaalsContact O-N 3.11Å; E371-G374 PolarHBondContact O-N 3.16Å |
| 375 | L | 89.3 | Confident | 91 | Very high | 69 Ų | 69 | 58.9 Ų | 58.9 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | trans | -121.9 | 125.1 | -176.2 | -63.4 | 174.8 | 0 | 0 | 0 | 112.2 | A370 L373 H377 V379 | A370-L375 CarbonylContact C-O 3.6Å; A370-L375 HydrophobicContact CB-CB 4.42Å; A370-L375 PolarHBondContact O-N 3.26Å; L373-L375 HydrophobicContact CB-CB 4.49Å; L373-L375 HydrophobicContact CB-CD1 3.79Å; L373-L375 HydrophobicContact CB-CG 3.93Å; L373-L375 HydrophobicContact CD1-CD1 4.07Å; L375-H377 PolarHBondContact O-N 2.83Å; L375-V379 HydrophobicContact CD1-CG2 3.79Å | ||
| 376 | D | 80.1 | Confident | 90.6 | Very high | 177 Ų | 177 | 59.4 Ų | 59.4 | 95% | 0.947 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -73.1 | 8.9 | -179.1 | -52 | -56.9 | 0 | 0 | 0 | 114.7 | ||
| 377 | H | 84.2 | Confident | 90.2 | Very high | 102 Ų | 102 | 62.5 Ų | 62.5 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -134 | 140.7 | -178 | 67.7 | -86.5 | 0 | 0 | 0 | 111.2 | A370 L375 V379 | A370-H377 WeakPolarHBondContact CB-O 3.36Å; L375-H377 PolarHBondContact O-N 2.83Å; H377-V379 PolarHBondContact O-N 3.23Å |
| 378 | M | 86.9 | Confident | 89.6 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | trans | -53.2 | 131.5 | -178.3 | -64.4 | 177.9 | 73.3 | 0 | 0 | 113 | F334 I363 N366 | F334-M378 HydrophobicContact CE1-SD 4.5Å; F334-M378 HydrophobicContact CE2-CG 4.45Å; F334-M378 HydrophobicContact CE2-SD 3.5Å; F334-M378 WeakPolarHBondContact CE2-SD 3.37Å; F334-M378 HydrophobicContact CZ-CG 3.69Å; F334-M378 HydrophobicContact CZ-SD 3.34Å; F334-M378 WeakPolarHBondContact CZ-SD 3.13Å; I363-M378 HydrophobicContact CB-CE 4.14Å; I363-M378 HydrophobicContact CG1-CE 3.96Å; I363-M378 HydrophobicContact CG2-CE 4.21Å; N366-M378 HydrophobicContact CB-CB 4.34Å; N366-M378 HydrophobicContact CB-CE 3.57Å | ||
| 379 | V | 90.2 | Very high | 89 | Confident | 30 Ų | 30 | 64.9 Ų | 64.9 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | trans | -115.2 | 126.1 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | N366 Y369 A370 L373 L375 H377 V381 | N366-V379 WeakPolarHBondContact CA-O 3.37Å; N366-V379 WeakPolarHBondContact CB-O 3.41Å; N366-V379 PolarHBondContact O-N 2.84Å; Y369-V379 HydrophobicContact CD1-CB 4.04Å; Y369-V379 HydrophobicContact CD1-CG1 3.92Å; Y369-V379 HydrophobicContact CE1-CB 4.37Å; Y369-V379 HydrophobicContact CE1-CG1 3.77Å; A370-V379 HydrophobicContact CB-CB 4.21Å; A370-V379 HydrophobicContact CB-CG2 3.95Å; L373-V379 HydrophobicContact CD1-CB 4.18Å; L373-V379 HydrophobicContact CD1-CG1 3.97Å; L373-V379 HydrophobicContact CD1-CG2 4.11Å; L375-V379 HydrophobicContact CD1-CG2 3.79Å; H377-V379 PolarHBondContact O-N 3.23Å; V379-V381 PolarHBondContact O-N 3.14Å | ||
| 380 | P | 93.8 | Very high | 88.3 | Confident | 101 Ų | 101 | 68.9 Ų | 68.9 | 66% | 0.656 | 39% | 0.391 | S | S | * | . | trans | -59.9 | 121.2 | 176.6 | -25.2 | 35.1 | 0 | 0 | 0 | 112.6 | N366 | N366-P380 WeakPolarHBondContact OD1-CA 3.49Š| ||
| 381 | V | 94.6 | Very high | 87.7 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 5% | 0.048 | 41% | 0.41 | C | S | . | . | trans | -63.5 | 128.5 | -176.5 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | F365 N366 Y369 V379 Y383 I386 F404 F427 | F365-V381 HydrophobicContact CB-CG2 4.02Å; F365-V381 VanDerWaalsContact O-CG2 3.25Å; F365-V381 WeakPolarHBondContact O-CG2 3.49Å; N366-V381 PolarHBondContact OD1-N 3.41Å; N366-V381 VanDerWaalsContact OD1-N 3.1Å; Y369-V381 HydrophobicContact CD1-CG2 4.28Å; Y369-V381 HydrophobicContact CD2-CG1 4.41Å; Y369-V381 HydrophobicContact CG-CG1 4.44Å; Y369-V381 HydrophobicContact CG-CG2 3.96Å; V379-V381 PolarHBondContact O-N 3.14Å; V381-Y383 HydrophobicContact CB-CD2 4.31Å; V381-Y383 HydrophobicContact CB-CE1 4.24Å; V381-Y383 HydrophobicContact CB-CE2 3.89Å; V381-Y383 HydrophobicContact CG1-CD1 4.35Å; V381-Y383 HydrophobicContact CG1-CE1 4.25Å; V381-Y383 WeakPolarHBondContact O-CD2 3.41Å; V381-Y383 WeakPolarHBondContact O-CE2 3.21Å; V381-Y383 PolarHBondContact O-N 2.78Å; V381-I386 HydrophobicContact CG1-CD1 3.46Å; V381-I386 VanDerWaalsContact CG1-CD1 3.46Å; V381-F404 HydrophobicContact CG1-CE1 4.29Å; V381-F404 HydrophobicContact CG1-CZ 4.02Å; V381-F427 HydrophobicContact CG1-CE1 4.19Å; V381-F427 HydrophobicContact CG2-CZ 4.35Å | ||
| 382 | P | 91.8 | Very high | 87.4 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 24% | 0.24 | 39% | 0.387 | C | S | . | . | trans | -82.1 | 62.5 | -179.2 | 35.1 | -37.5 | 0 | 0 | 0 | 111.6 | Y369 R384 K385 I386 F433 | Y369-P382 VanDerWaalsContact CE1-CD 3.5Å; Y369-P382 HydrophobicContact CE1-CG 4.31Å; Y369-P382 HydrophobicContact CE2-CG 4.43Å; Y369-P382 VanDerWaalsContact CZ-CD 3.4Å; Y369-P382 WeakPolarHBondContact OH-CG 3.45Å; P382-R384 PolarHBondContact O-N 3.24Å; P382-K385 HydrophobicContact CB-CB 4.18Å; P382-K385 HydrophobicContact CB-CG 4.31Å; P382-K385 PolarHBondContact O-N 3.31Å; P382-I386 HydrophobicContact CG-CD1 4.48Å; P382-I386 HydrophobicContact CG-CG1 4.5Å; P382-I386 PolarHBondContact O-N 3.48Å; P382-I386 VanDerWaalsContact O-N 3.14Å; P382-F433 HydrophobicContact CG-CE2 3.81Å; P382-F433 HydrophobicContact CG-CZ 4.28Å | ||
| 383 | Y | 91.7 | Very high | 87.3 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 7% | 0.071 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -45.3 | -35.1 | -175.5 | -60.6 | -84 | 0 | 0 | 0 | 114.6 | Q362 F365 V381 A387 F404 R406 P407 | Q362-Y383 PolarHBondContact NE2-OH 3.1Å; F365-Y383 HydrophobicContact CD2-CE1 4.38Å; V381-Y383 HydrophobicContact CB-CD2 4.31Å; V381-Y383 HydrophobicContact CB-CE1 4.24Å; V381-Y383 HydrophobicContact CB-CE2 3.89Å; V381-Y383 HydrophobicContact CG1-CD1 4.35Å; V381-Y383 HydrophobicContact CG1-CE1 4.25Å; V381-Y383 WeakPolarHBondContact O-CD2 3.41Å; V381-Y383 WeakPolarHBondContact O-CE2 3.21Å; V381-Y383 PolarHBondContact O-N 2.78Å; Y383-A387 VanDerWaalsContact O-CB 3.22Å; Y383-A387 WeakPolarHBondContact O-CB 3.2Å; Y383-A387 PolarHBondContact O-N 3.34Å; Y383-F404 HydrophobicContact CD1-CD1 4.44Å; Y383-F404 AromaticContact CD1-CE1 3.64Å; Y383-F404 HydrophobicContact CD1-CE1 3.64Å; Y383-F404 AromaticContact CD1-CZ 3.74Å; Y383-F404 HydrophobicContact CD1-CZ 3.74Å; Y383-F404 AromaticContact CE1-CE1 3.88Å; Y383-F404 HydrophobicContact CE1-CE1 3.88Å; Y383-F404 HydrophobicContact CE1-CE2 4.06Å; Y383-F404 AromaticContact CE1-CZ 3.44Å; Y383-F404 HydrophobicContact CE1-CZ 3.44Å; Y383-F404 VanDerWaalsContact CE1-CZ 3.44Å; Y383-R406 HydrophobicContact CD1-CG 4.2Å; Y383-R406 HydrophobicContact CD2-CG 3.65Å; Y383-R406 HydrophobicContact CE2-CG 4.04Å; Y383-R406 HydrophobicContact CG-CG 3.75Å; Y383-P407 WeakPolarHBondContact OH-CD 3.33Å |
| 384 | R | 87 | Confident | 87.4 | Confident | 206 Ų | 206 | 65.2 Ų | 65.2 | 78% | 0.777 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -73.9 | -35.7 | 178 | -170.1 | 177.3 | -177.5 | -178.5 | 0.9 | 113.2 | P382 C388 | P382-R384 PolarHBondContact O-N 3.24Å; R384-C388 PolarHBondContact O-N 2.94Å; R384-C388 PolarHBondContact O-SG 3Å |
| 385 | K | 85.8 | Confident | 87.5 | Confident | 64 Ų | 64 | 64.1 Ų | 64.1 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.5 | -45 | 174.1 | -65.7 | -164.8 | 174.6 | -169.8 | 0 | 109.7 | P382 A387 C388 D389 F433 E435 F438 | P382-K385 HydrophobicContact CB-CB 4.18Å; P382-K385 HydrophobicContact CB-CG 4.31Å; P382-K385 PolarHBondContact O-N 3.31Å; K385-A387 PolarHBondContact O-N 3.28Å; K385-C388 PolarHBondContact O-N 3.33Å; K385-D389 PolarHBondContact O-N 3.48Å; K385-F433 HydrophobicContact CB-CD1 3.72Å; K385-F433 HydrophobicContact CB-CD2 4.21Å; K385-F433 HydrophobicContact CB-CE1 3.62Å; K385-F433 HydrophobicContact CB-CE2 4.14Å; K385-F433 HydrophobicContact CB-CG 4.01Å; K385-F433 HydrophobicContact CB-CZ 3.85Å; K385-F433 HydrophobicContact CD-CB 3.92Å; K385-F433 HydrophobicContact CD-CD1 4.35Å; K385-F433 HydrophobicContact CD-CD2 3.9Å; K385-F433 HydrophobicContact CD-CG 3.81Å; K385-E435 IonicContact NZ-OE1 3.88Å; K385-E435 PolarHBondContact NZ-OE1 2.93Å; K385-F438 HydrophobicContact CB-CE1 4.39Å; K385-F438 HydrophobicContact CB-CZ 3.94Å; K385-F438 HydrophobicContact CD-CE2 4.32Å; K385-F438 HydrophobicContact CD-CZ 4.34Å; K385-F438 HydrophobicContact CG-CE1 4.14Å; K385-F438 HydrophobicContact CG-CE2 4.36Å; K385-F438 HydrophobicContact CG-CZ 3.89Å |
| 386 | I | 89 | Confident | 87.7 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 176.1 | -60.3 | 169.5 | 0 | 0 | 0 | 111.6 | V381 P382 C388 D389 P390 V393 F404 F433 | V381-I386 HydrophobicContact CG1-CD1 3.46Å; V381-I386 VanDerWaalsContact CG1-CD1 3.46Å; P382-I386 HydrophobicContact CG-CD1 4.48Å; P382-I386 HydrophobicContact CG-CG1 4.5Å; P382-I386 PolarHBondContact O-N 3.48Å; P382-I386 VanDerWaalsContact O-N 3.14Å; I386-C388 VanDerWaalsContact C-N 3.26Å; I386-C388 PolarHBondContact O-N 3.09Å; I386-D389 CarbonylContact O-C 3.59Å; I386-D389 PolarHBondContact O-N 3.39Å; I386-D389 VanDerWaalsContact O-N 3.13Å; I386-P390 VanDerWaalsContact O-N 3.13Å; I386-V393 HydrophobicContact CD1-CG1 4.48Å; I386-V393 HydrophobicContact CG1-CB 4.29Å; I386-V393 HydrophobicContact CG1-CG2 4.33Å; I386-F404 HydrophobicContact CD1-CE1 4.01Å; I386-F404 HydrophobicContact CG2-CD1 4.35Å; I386-F404 HydrophobicContact CG2-CE1 4.4Å; I386-F433 HydrophobicContact CG1-CE1 4.43Å; I386-F433 HydrophobicContact CG1-CZ 3.73Å |
| 387 | A | 85.2 | Confident | 88 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 70% | 0.702 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.6 | -21.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y383 K385 | Y383-A387 VanDerWaalsContact O-CB 3.22Å; Y383-A387 WeakPolarHBondContact O-CB 3.2Å; Y383-A387 PolarHBondContact O-N 3.34Å; K385-A387 PolarHBondContact O-N 3.28Å |
| 388 | C | 82.5 | Confident | 88.4 | Confident | 87 Ų | 87 | 53.5 Ų | 53.5 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -87.3 | -20.8 | 171.5 | -70.8 | 0 | 0 | 0 | 0 | 112.9 | R384 K385 I386 F438 | R384-C388 PolarHBondContact O-N 2.94Å; R384-C388 PolarHBondContact O-SG 3Å; K385-C388 PolarHBondContact O-N 3.33Å; I386-C388 VanDerWaalsContact C-N 3.26Å; I386-C388 PolarHBondContact O-N 3.09Å; C388-F438 HydrophobicContact CB-CE1 4.03Å |
| 389 | D | 82 | Confident | 88.6 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | trans | -146.7 | 76.3 | -176.3 | -171 | -0.6 | 0 | 0 | 0 | 111.6 | K385 I386 G391 A392 R431 | K385-D389 PolarHBondContact O-N 3.48Å; I386-D389 CarbonylContact O-C 3.59Å; I386-D389 PolarHBondContact O-N 3.39Å; I386-D389 VanDerWaalsContact O-N 3.13Å; D389-G391 PolarHBondContact O-N 3.16Å; D389-G391 VanDerWaalsContact O-N 3.16Å; D389-G391 PolarHBondContact OD1-N 3.2Å; D389-A392 HydrophobicContact CB-CB 4.44Å; D389-A392 PolarHBondContact O-N 3.09Å; D389-A392 PolarHBondContact OD1-N 3.46Å; D389-R431 VanDerWaalsContact CG-NH2 3.28Å; D389-R431 IonicContact OD1-CZ 2.77Å; D389-R431 IonicContact OD1-NH1 3.64Å; D389-R431 IonicContact OD1-NH2 2.67Å; D389-R431 PolarHBondContact OD1-NH2 3.35Å; D389-R431 IonicContact OD2-CZ 2.74Å; D389-R431 VanDerWaalsContact OD2-CZ 3.31Å; D389-R431 IonicContact OD2-NH1 2.81Å; D389-R431 PolarHBondContact OD2-NH1 3.25Å; D389-R431 IonicContact OD2-NH2 3.93Å; D389-R431 PolarHBondContact OD2-NH2 3Å | ||
| 390 | P | 80.6 | Confident | 87.7 | Confident | 100 Ų | 100 | 56.4 Ų | 56.4 | 65% | 0.649 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -6.8 | 178.5 | 29.3 | -35.9 | 0 | 0 | 0 | 113.1 | I386 | I386-P390 VanDerWaalsContact O-N 3.13Š|
| 391 | G | 81.3 | Confident | 86.9 | Confident | 40 Ų | 40 | 60.1 Ų | 60.1 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -10.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D389 | D389-G391 PolarHBondContact O-N 3.16Å; D389-G391 VanDerWaalsContact O-N 3.16Å; D389-G391 PolarHBondContact OD1-N 3.2Å |
| 392 | A | 86.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -35.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D389 K430 R431 F433 | D389-A392 HydrophobicContact CB-CB 4.44Å; D389-A392 PolarHBondContact O-N 3.09Å; D389-A392 PolarHBondContact OD1-N 3.46Å; A392-K430 PolarHBondContact O-N 3.31Å; A392-R431 HydrophobicContact CB-CG 4.36Å; A392-R431 PolarHBondContact O-N 3.16Å; A392-F433 HydrophobicContact CB-CD1 3.86Å; A392-F433 HydrophobicContact CB-CE1 3.62Å; A392-F433 HydrophobicContact CB-CZ 4.33Å |
| 393 | V | 91.3 | Very high | 86.6 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 115.2 | -174.9 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | I386 I395 F427 I428 I429 F433 | I386-V393 HydrophobicContact CD1-CG1 4.48Å; I386-V393 HydrophobicContact CG1-CB 4.29Å; I386-V393 HydrophobicContact CG1-CG2 4.33Å; V393-I395 HydrophobicContact CG1-CG1 4.39Å; V393-F427 HydrophobicContact CG1-CB 4.47Å; V393-F427 HydrophobicContact CG1-CD1 3.85Å; V393-I428 WeakPolarHBondContact CA-O 2.97Å; V393-I429 HydrophobicContact CG2-CG1 4.38Å; V393-F433 HydrophobicContact CG2-CE1 4.37Å; V393-F433 HydrophobicContact CG2-CE2 4.12Å; V393-F433 HydrophobicContact CG2-CZ 3.61Å |
| 394 | E | 91.2 | Very high | 86.6 | Confident | 76 Ų | 76 | 63.4 Ų | 63.4 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 149.1 | 170 | 175.5 | 165.3 | -97.3 | 0 | 0 | 110 | I396 F427 I428 K430 | E394-I396 HydrophobicContact CG-CG1 4.17Å; E394-F427 CarbonylContact O-C 3.59Å; E394-F427 WeakPolarHBondContact O-CA 3.43Å; E394-I428 HydrophobicContact CB-CB 4.3Å; E394-I428 PolarHBondContact N-O 3.03Å; E394-I428 PolarHBondContact O-N 3.49Å; E394-K430 HydrophobicContact CB-CD 4.33Å; E394-K430 VanDerWaalsContact CD-CE 3.49Å; E394-K430 IonicContact OE1-NZ 3.72Å; E394-K430 PolarHBondContact OE1-NZ 3.43Å; E394-K430 WeakPolarHBondContact OE2-CE 3.33Å; E394-K430 IonicContact OE2-NZ 2.74Å; E394-K430 PolarHBondContact OE2-NZ 2.98Å |
| 395 | I | 93.4 | Very high | 86.8 | Confident | 41 Ų | 41 | 59 Ų | 59 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 121.4 | -178.1 | -45.6 | 175.6 | 0 | 0 | 0 | 107.5 | V393 I398 F404 R426 F427 | V393-I395 HydrophobicContact CG1-CG1 4.39Å; I395-I398 HydrophobicContact CG2-CD1 3.65Å; I395-I398 HydrophobicContact CG2-CG1 4.12Å; I395-F404 HydrophobicContact CD1-CB 4.23Å; I395-F404 HydrophobicContact CD1-CD1 3.35Å; I395-F404 HydrophobicContact CD1-CD2 3.8Å; I395-F404 HydrophobicContact CD1-CE1 3.49Å; I395-F404 VanDerWaalsContact CD1-CE1 3.49Å; I395-F404 HydrophobicContact CD1-CE2 3.92Å; I395-F404 HydrophobicContact CD1-CG 3.51Å; I395-F404 HydrophobicContact CD1-CZ 3.77Å; I395-R426 WeakPolarHBondContact CA-O 3.32Å; I395-F427 HydrophobicContact CD1-CD1 3.95Å; I395-F427 HydrophobicContact CD1-CE1 3.52Å; I395-F427 HydrophobicContact CD1-CZ 4.27Å; I395-F427 HydrophobicContact CG1-CD1 3.72Å; I395-F427 HydrophobicContact CG1-CE1 3.83Å; I395-F427 HydrophobicContact CG1-CG 4.48Å; I395-F427 HydrophobicContact CG2-CD1 4.35Å; I395-F427 HydrophobicContact CG2-CE1 4.25Å; I395-F427 HydrophobicContact CG2-CE2 4.42Å; I395-F427 HydrophobicContact CG2-CG 4.49Å; I395-F427 HydrophobicContact CG2-CZ 4.29Å |
| 396 | I | 91.8 | Very high | 87.2 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 35% | 0.354 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 146.9 | -174.6 | -60.7 | -176.5 | 0 | 0 | 0 | 108.8 | E394 I425 R426 I428 | E394-I396 HydrophobicContact CG-CG1 4.17Å; I396-I425 VanDerWaalsContact O-CA 3.3Å; I396-I425 WeakPolarHBondContact O-CA 3.3Å; I396-R426 PolarHBondContact N-O 3.08Å; I396-R426 PolarHBondContact O-N 2.85Å; I396-I428 HydrophobicContact CD1-CD1 3.61Å; I396-I428 HydrophobicContact CG1-CD1 4.44Å |
| 397 | G | 87.9 | Confident | 87.4 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 26% | 0.258 | 35% | 0.346 | S | S | . | . | trans | 80.5 | 18.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | I425 | G397-I425 WeakPolarHBondContact O-CG1 3.46Š| ||
| 398 | I | 91.6 | Very high | 87.7 | Confident | 31 Ų | 31 | 61.4 Ų | 61.4 | 16% | 0.159 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 134.8 | 165.1 | -68.5 | -178.2 | 0 | 0 | 0 | 107.9 | F365 I395 I402 F404 I425 | F365-I398 HydrophobicContact CE1-CD1 4.19Å; F365-I398 HydrophobicContact CZ-CD1 4.29Å; I395-I398 HydrophobicContact CG2-CD1 3.65Å; I395-I398 HydrophobicContact CG2-CG1 4.12Å; I398-I402 HydrophobicContact CG2-CB 4.09Å; I398-I402 HydrophobicContact CG2-CG2 4.26Å; I398-I402 WeakPolarHBondContact CG2-O 3.4Å; I398-F404 HydrophobicContact CD1-CB 4.29Å; I398-F404 HydrophobicContact CD1-CD2 3.5Å; I398-F404 HydrophobicContact CD1-CE2 4.25Å; I398-F404 HydrophobicContact CD1-CG 4.28Å; I398-I425 HydrophobicContact CG1-CD1 4.29Å; I398-I425 HydrophobicContact CG1-CG1 4.18Å |
| 399 | P | 90.8 | Very high | 88.1 | Confident | 9 Ų | 9 | 61.2 Ų | 61.2 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 143.2 | -177.5 | -20.2 | 21.9 | 0 | 0 | 0 | 113.4 | I402 R417 E421 | P399-I402 HydrophobicContact CB-CD1 3.9Å; P399-I402 HydrophobicContact CB-CG1 4.29Å; P399-I402 HydrophobicContact CG-CD1 4.01Å; P399-I402 WeakPolarHBondContact O-CB 3.45Å; P399-I402 PolarHBondContact O-N 3.43Å; P399-I402 VanDerWaalsContact O-N 3.15Å; P399-R417 HydrophobicContact CG-CB 4.08Å; P399-R417 WeakPolarHBondContact CG-O 3.38Å; P399-E421 WeakPolarHBondContact CA-OE2 3.31Å; P399-E421 WeakPolarHBondContact CB-OE1 3.38Å; P399-E421 HydrophobicContact CG-CB 4.25Å; P399-E421 VanDerWaalsContact CG-CD 3.47Å; P399-E421 HydrophobicContact CG-CG 4.17Å; P399-E421 WeakPolarHBondContact CG-OE1 3.32Å |
| 400 | D | 72.4 | Confident | 88.6 | Confident | 150 Ų | 150 | 60.6 Ų | 60.6 | 80% | 0.802 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 146.6 | 177.1 | -74.6 | -40.7 | 0 | 0 | 0 | 112.5 | I402 | D400-I402 PolarHBondContact O-N 3.09Š|
| 401 | Q | 76.9 | Confident | 89.2 | Confident | 179 Ų | 179 | 57.5 Ų | 57.5 | 84% | 0.836 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 7.9 | -174 | -44.1 | -66.3 | 3.1 | 0 | 0 | 115.8 | P403 | Q401-P403 WeakPolarHBondContact O-CD 3.35Š|
| 402 | I | 89.6 | Confident | 89.8 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | trans | -104.5 | 100.9 | 173.7 | -54.8 | -170.8 | 0 | 0 | 0 | 111 | I398 P399 D400 Y410 K414 R417 I418 | I398-I402 HydrophobicContact CG2-CB 4.09Å; I398-I402 HydrophobicContact CG2-CG2 4.26Å; I398-I402 WeakPolarHBondContact CG2-O 3.4Å; P399-I402 HydrophobicContact CB-CD1 3.9Å; P399-I402 HydrophobicContact CB-CG1 4.29Å; P399-I402 HydrophobicContact CG-CD1 4.01Å; P399-I402 WeakPolarHBondContact O-CB 3.45Å; P399-I402 PolarHBondContact O-N 3.43Å; P399-I402 VanDerWaalsContact O-N 3.15Å; D400-I402 PolarHBondContact O-N 3.09Å; I402-Y410 HydrophobicContact CG2-CE1 3.97Å; I402-K414 HydrophobicContact CD1-CB 4.26Å; I402-K414 HydrophobicContact CD1-CG 4.47Å; I402-R417 HydrophobicContact CD1-CB 3.99Å; I402-I418 HydrophobicContact CD1-CG1 4.09Å; I402-I418 HydrophobicContact CG2-CD1 3.96Å; I402-I418 HydrophobicContact CG2-CG1 4.17Å | ||
| 403 | P | 89.2 | Confident | 90.1 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 43% | 0.429 | 34% | 0.335 | S | S | . | . | trans | -73.5 | 132.6 | 179.8 | 29.6 | -34.8 | 0 | 0 | 0 | 111.5 | Q401 K405 Y410 | Q401-P403 WeakPolarHBondContact O-CD 3.35Å; P403-K405 PolarHBondContact O-N 3.04Å; P403-K405 VanDerWaalsContact O-N 3.13Å; P403-Y410 PolarHBondContact O-OH 2.92Å | ||
| 404 | F | 92.9 | Very high | 90.2 | Very high | 51 Ų | 51 | 66.3 Ų | 66.3 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | trans | -61.4 | 113.1 | -177.6 | -175.6 | -111.3 | 0 | 0 | 0 | 113.2 | F365 V381 Y383 I386 I395 I398 F427 | F365-F404 HydrophobicContact CD1-CE2 4.19Å; F365-F404 AromaticContact CD2-CE2 3.87Å; F365-F404 HydrophobicContact CD2-CE2 3.87Å; F365-F404 HydrophobicContact CE1-CE2 4.06Å; F365-F404 HydrophobicContact CE2-CD2 4.22Å; F365-F404 AromaticContact CE2-CE2 3.71Å; F365-F404 HydrophobicContact CE2-CE2 3.71Å; F365-F404 HydrophobicContact CG-CE2 4.1Å; F365-F404 HydrophobicContact CZ-CD2 4.08Å; F365-F404 AromaticContact CZ-CE2 3.81Å; F365-F404 HydrophobicContact CZ-CE2 3.81Å; V381-F404 HydrophobicContact CG1-CE1 4.29Å; V381-F404 HydrophobicContact CG1-CZ 4.02Å; Y383-F404 HydrophobicContact CD1-CD1 4.44Å; Y383-F404 AromaticContact CD1-CE1 3.64Å; Y383-F404 HydrophobicContact CD1-CE1 3.64Å; Y383-F404 AromaticContact CD1-CZ 3.74Å; Y383-F404 HydrophobicContact CD1-CZ 3.74Å; Y383-F404 AromaticContact CE1-CE1 3.88Å; Y383-F404 HydrophobicContact CE1-CE1 3.88Å; Y383-F404 HydrophobicContact CE1-CE2 4.06Å; Y383-F404 AromaticContact CE1-CZ 3.44Å; Y383-F404 HydrophobicContact CE1-CZ 3.44Å; Y383-F404 VanDerWaalsContact CE1-CZ 3.44Å; I386-F404 HydrophobicContact CD1-CE1 4.01Å; I386-F404 HydrophobicContact CG2-CD1 4.35Å; I386-F404 HydrophobicContact CG2-CE1 4.4Å; I395-F404 HydrophobicContact CD1-CB 4.23Å; I395-F404 HydrophobicContact CD1-CD1 3.35Å; I395-F404 HydrophobicContact CD1-CD2 3.8Å; I395-F404 HydrophobicContact CD1-CE1 3.49Å; I395-F404 VanDerWaalsContact CD1-CE1 3.49Å; I395-F404 HydrophobicContact CD1-CE2 3.92Å; I395-F404 HydrophobicContact CD1-CG 3.51Å; I395-F404 HydrophobicContact CD1-CZ 3.77Å; I398-F404 HydrophobicContact CD1-CB 4.29Å; I398-F404 HydrophobicContact CD1-CD2 3.5Å; I398-F404 HydrophobicContact CD1-CE2 4.25Å; I398-F404 HydrophobicContact CD1-CG 4.28Å; F404-F427 HydrophobicContact CE1-CE1 4.32Å; F404-F427 HydrophobicContact CE2-CE1 4.22Å; F404-F427 AromaticContact CE2-CZ 3.88Å; F404-F427 HydrophobicContact CE2-CZ 3.88Å; F404-F427 AromaticContact CZ-CE1 3.72Å; F404-F427 HydrophobicContact CZ-CE1 3.72Å; F404-F427 AromaticContact CZ-CZ 3.73Å; F404-F427 HydrophobicContact CZ-CZ 3.73Å | ||
| 405 | K | 91.7 | Very high | 90.5 | Very high | 114 Ų | 114 | 62.7 Ų | 62.7 | 50% | 0.496 | 34% | 0.338 | S | S | . | . | trans | -143.9 | 177.5 | -179.3 | -64.7 | -178.8 | -178.4 | 179.7 | 0 | 110.8 | P403 T409 Y410 | P403-K405 PolarHBondContact O-N 3.04Å; P403-K405 VanDerWaalsContact O-N 3.13Å; K405-T409 VanDerWaalsContact CB-OG1 3.24Å; K405-T409 WeakPolarHBondContact CB-OG1 3.38Å; K405-Y410 HydrophobicContact CB-CE1 4.19Å; K405-Y410 PolarHBondContact N-OH 3.46Å; K405-Y410 PolarHBondContact O-OH 3.2Å | ||
| 406 | R | 93.4 | Very high | 90.5 | Very high | 131 Ų | 131 | 62.4 Ų | 62.4 | 49% | 0.494 | 34% | 0.335 | S | S | . | . | trans | -63 | 141.4 | 175.6 | -70 | 176.2 | 175.6 | -90.8 | 1.4 | 110.7 | Y383 C408 T409 | Y383-R406 HydrophobicContact CD1-CG 4.2Å; Y383-R406 HydrophobicContact CD2-CG 3.65Å; Y383-R406 HydrophobicContact CE2-CG 4.04Å; Y383-R406 HydrophobicContact CG-CG 3.75Å; R406-C408 PolarHBondContact O-N 3.44Å; R406-C408 VanDerWaalsContact O-N 3.13Å; R406-T409 HydrophobicContact CB-CG2 4.35Å; R406-T409 PolarHBondContact O-N 2.95Å; R406-T409 PolarHBondContact O-OG1 2.92Å | ||
| 407 | P | 92.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.013 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -54.1 | -36.3 | -179.4 | -28.2 | 35.8 | 0 | 0 | 0 | 114.2 | V361 Q362 F365 Y383 T409 Y410 | V361-P407 HydrophobicContact CB-CB 4.31Å; V361-P407 HydrophobicContact CB-CG 4.46Å; V361-P407 HydrophobicContact CG1-CB 4.2Å; V361-P407 HydrophobicContact CG1-CG 4.05Å; Q362-P407 HydrophobicContact CB-CB 4.44Å; Q362-P407 HydrophobicContact CB-CG 3.92Å; Q362-P407 HydrophobicContact CG-CG 4.48Å; F365-P407 HydrophobicContact CD2-CG 4.16Å; Y383-P407 WeakPolarHBondContact OH-CD 3.33Å; P407-T409 PolarHBondContact O-N 3.45Å; P407-T409 VanDerWaalsContact O-N 3.13Å; P407-Y410 PolarHBondContact O-N 3.01Å; P407-Y410 VanDerWaalsContact O-N 3.13Å |
| 408 | C | 90.9 | Very high | 91 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 52% | 0.52 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -62.5 | -15.5 | 176 | 59.2 | 0 | 0 | 0 | 0 | 115 | R358 R406 | R358-C408 PolarHBondContact NH2-O 3.14Å; R358-C408 VanDerWaalsContact NH2-O 3.14Å; R406-C408 PolarHBondContact O-N 3.44Å; R406-C408 VanDerWaalsContact O-N 3.13Å |
| 409 | T | 92.1 | Very high | 91.2 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -91.8 | -2.1 | 177.3 | 66 | 0 | 0 | 0 | 0 | 113.9 | K405 R406 P407 | K405-T409 VanDerWaalsContact CB-OG1 3.24Å; K405-T409 WeakPolarHBondContact CB-OG1 3.38Å; R406-T409 HydrophobicContact CB-CG2 4.35Å; R406-T409 PolarHBondContact O-N 2.95Å; R406-T409 PolarHBondContact O-OG1 2.92Å; P407-T409 PolarHBondContact O-N 3.45Å; P407-T409 VanDerWaalsContact O-N 3.13Å |
| 410 | Y | 92.6 | Very high | 91.3 | Very high | 10 Ų | 10 | 66.8 Ų | 66.8 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | trans | -97.5 | 150.5 | 172.9 | -52.9 | -51.5 | 0 | 0 | 0 | 111.3 | R358 F365 I402 P403 K405 P407 L415 I418 | R358-Y410 PolarHBondContact NH2-O 3.44Å; F365-Y410 HydrophobicContact CE2-CE2 4.15Å; I402-Y410 HydrophobicContact CG2-CE1 3.97Å; P403-Y410 PolarHBondContact O-OH 2.92Å; K405-Y410 HydrophobicContact CB-CE1 4.19Å; K405-Y410 PolarHBondContact N-OH 3.46Å; K405-Y410 PolarHBondContact O-OH 3.2Å; P407-Y410 PolarHBondContact O-N 3.01Å; P407-Y410 VanDerWaalsContact O-N 3.13Å; Y410-L415 HydrophobicContact CD2-CD2 3.89Å; Y410-L415 HydrophobicContact CG-CD2 4.36Å; Y410-I418 HydrophobicContact CD2-CD1 3.65Å; Y410-I418 HydrophobicContact CE1-CD1 4.42Å; Y410-I418 HydrophobicContact CE2-CD1 3.43Å; Y410-I418 VanDerWaalsContact CE2-CD1 3.43Å; Y410-I418 HydrophobicContact CG-CD1 4.24Å | ||
| 411 | G | 92.1 | Very high | 92.3 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | trans | -96.7 | 166 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K414 L415 | G411-K414 PolarHBondContact O-N 2.9Å; G411-L415 PolarHBondContact O-N 2.95Å; G411-L415 VanDerWaalsContact O-N 3.12Å | ||
| 412 | V | 93.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 55.3 Ų | 55.3 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -45 | -48.3 | -173.4 | 174.4 | 0 | 0 | 0 | 0 | 114.3 | I354 L357 K414 L415 K416 | I354-V412 HydrophobicContact CB-CG2 3.71Å; I354-V412 HydrophobicContact CD1-CG2 4.11Å; I354-V412 HydrophobicContact CG1-CG2 3.78Å; L357-V412 HydrophobicContact CD1-CB 4.46Å; L357-V412 HydrophobicContact CD1-CG1 3.8Å; L357-V412 HydrophobicContact CD1-CG2 4.31Å; V412-K414 VanDerWaalsContact C-N 3.28Å; V412-K414 PolarHBondContact O-N 3.34Å; V412-L415 PolarHBondContact O-N 3.33Å; V412-L415 VanDerWaalsContact O-N 3.15Å; V412-K416 HydrophobicContact CG1-CD 4.18Å; V412-K416 HydrophobicContact CG1-CG 4.35Å; V412-K416 PolarHBondContact O-N 3.4Å |
| 413 | P | 93.4 | Very high | 93.3 | Very high | 94 Ų | 94 | 57.5 Ų | 57.5 | 61% | 0.61 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.5 | -28.4 | -177.7 | -23.3 | 35.2 | 0 | 0 | 0 | 114.5 | R417 | P413-R417 WeakPolarHBondContact O-CG 3.29Å |
| 414 | K | 94.7 | Very high | 93.4 | Very high | 99 Ų | 99 | 56 Ų | 56 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -82 | -35.2 | 175.4 | -65.1 | -166.6 | 179.5 | -164.5 | 0 | 111.4 | I402 G411 V412 I418 | I402-K414 HydrophobicContact CD1-CB 4.26Å; I402-K414 HydrophobicContact CD1-CG 4.47Å; G411-K414 PolarHBondContact O-N 2.9Å; V412-K414 VanDerWaalsContact C-N 3.28Å; V412-K414 PolarHBondContact O-N 3.34Å; K414-I418 WeakPolarHBondContact O-CD1 3.47Å; K414-I418 WeakPolarHBondContact O-CG1 3.26Å; K414-I418 PolarHBondContact O-N 3.26Å; K414-I418 VanDerWaalsContact O-N 3.16Å |
| 415 | L | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 174.9 | -67.2 | 163.7 | 0 | 0 | 0 | 111.8 | I354 L357 R358 V361 Y410 G411 V412 I418 L419 | I354-L415 HydrophobicContact CG1-CD1 3.84Å; L357-L415 HydrophobicContact CB-CB 4.04Å; L357-L415 HydrophobicContact CB-CD1 4.06Å; R358-L415 HydrophobicContact CG-CD1 3.74Å; R358-L415 HydrophobicContact CG-CD2 4.2Å; V361-L415 HydrophobicContact CB-CD2 4.08Å; V361-L415 HydrophobicContact CG1-CD2 4.48Å; V361-L415 HydrophobicContact CG2-CD2 3.77Å; Y410-L415 HydrophobicContact CD2-CD2 3.89Å; Y410-L415 HydrophobicContact CG-CD2 4.36Å; G411-L415 PolarHBondContact O-N 2.95Å; G411-L415 VanDerWaalsContact O-N 3.12Å; V412-L415 PolarHBondContact O-N 3.33Å; V412-L415 VanDerWaalsContact O-N 3.15Å; L415-I418 PolarHBondContact O-N 2.84Å; L415-L419 WeakPolarHBondContact O-CG 3.14Å; L415-L419 PolarHBondContact O-N 3.11Å; L415-L419 VanDerWaalsContact O-N 3.11Å |
| 416 | K | 94.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 55 Ų | 55 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.8 | -53.5 | 176.2 | -70.5 | -172.3 | 177.4 | -175.6 | 0 | 111.4 | I348 R349 T351 L357 V412 I418 L419 D420 | I348-K416 WeakPolarHBondContact O-CD 3.36Å; I348-K416 WeakPolarHBondContact O-CE 3.34Å; R349-K416 PolarHBondContact O-NZ 3.4Å; T351-K416 WeakPolarHBondContact O-CE 3.34Å; T351-K416 PolarHBondContact O-NZ 3.24Å; L357-K416 HydrophobicContact CD1-CG 4.16Å; L357-K416 HydrophobicContact CD2-CG 4.38Å; V412-K416 HydrophobicContact CG1-CD 4.18Å; V412-K416 HydrophobicContact CG1-CG 4.35Å; V412-K416 PolarHBondContact O-N 3.4Å; K416-I418 VanDerWaalsContact C-N 3.32Å; K416-I418 PolarHBondContact O-N 3.23Å; K416-L419 CarbonylContact O-C 3.58Å; K416-L419 WeakPolarHBondContact O-CA 3.16Å; K416-L419 WeakPolarHBondContact O-CB 3.44Å; K416-L419 PolarHBondContact O-N 3.41Å; K416-D420 VanDerWaalsContact C-OD2 3.25Å; K416-D420 VanDerWaalsContact O-CG 3.24Å; K416-D420 PolarHBondContact O-N 2.93Å; K416-D420 VanDerWaalsContact O-OD2 3.08Å |
| 417 | R | 94.8 | Very high | 93.7 | Very high | 152 Ų | 152 | 49.2 Ų | 49.2 | 57% | 0.574 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -54.4 | -41 | 176.7 | -68.8 | -179.6 | -173.6 | -174.7 | 1 | 114.2 | P399 I402 P413 L419 D420 E421 | P399-R417 HydrophobicContact CG-CB 4.08Å; P399-R417 WeakPolarHBondContact CG-O 3.38Å; I402-R417 HydrophobicContact CD1-CB 3.99Å; P413-R417 WeakPolarHBondContact O-CG 3.29Å; R417-L419 VanDerWaalsContact C-N 3.27Å; R417-L419 PolarHBondContact O-N 3.4Å; R417-D420 WeakPolarHBondContact CA-OD2 3.3Å; R417-D420 PolarHBondContact N-OD2 2.82Å; R417-D420 PolarHBondContact O-N 2.84Å; R417-E421 PolarHBondContact O-N 3.43Å |
| 418 | I | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -33.5 | 175.4 | -65.2 | 162.5 | 0 | 0 | 0 | 111.4 | V361 L364 F365 I402 Y410 K414 L415 K416 R422 I425 | V361-I418 HydrophobicContact CG1-CD1 4.49Å; V361-I418 HydrophobicContact CG1-CG2 3.84Å; V361-I418 HydrophobicContact CG2-CB 4.28Å; V361-I418 HydrophobicContact CG2-CG2 3.97Å; L364-I418 HydrophobicContact CD2-CG2 4.32Å; F365-I418 HydrophobicContact CE1-CG2 4.08Å; F365-I418 HydrophobicContact CZ-CG2 3.93Å; I402-I418 HydrophobicContact CD1-CG1 4.09Å; I402-I418 HydrophobicContact CG2-CD1 3.96Å; I402-I418 HydrophobicContact CG2-CG1 4.17Å; Y410-I418 HydrophobicContact CD2-CD1 3.65Å; Y410-I418 HydrophobicContact CE1-CD1 4.42Å; Y410-I418 HydrophobicContact CE2-CD1 3.43Å; Y410-I418 VanDerWaalsContact CE2-CD1 3.43Å; Y410-I418 HydrophobicContact CG-CD1 4.24Å; K414-I418 WeakPolarHBondContact O-CD1 3.47Å; K414-I418 WeakPolarHBondContact O-CG1 3.26Å; K414-I418 PolarHBondContact O-N 3.26Å; K414-I418 VanDerWaalsContact O-N 3.16Å; L415-I418 PolarHBondContact O-N 2.84Å; K416-I418 VanDerWaalsContact C-N 3.32Å; K416-I418 PolarHBondContact O-N 3.23Å; I418-R422 PolarHBondContact O-N 3.44Å; I418-I425 HydrophobicContact CG2-CD1 3.69Å; I418-I425 VanDerWaalsContact O-CD1 3.28Å; I418-I425 WeakPolarHBondContact O-CD1 3.4Å |
| 419 | L | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -83.1 | -25.8 | 178.3 | -67.6 | 172.3 | 0 | 0 | 0 | 113.3 | I348 L357 C360 V361 L364 L415 K416 R417 R422 | I348-L419 HydrophobicContact CD1-CB 4.14Å; I348-L419 HydrophobicContact CG1-CB 4.42Å; I348-L419 HydrophobicContact CG2-CB 3.7Å; I348-L419 HydrophobicContact CG2-CD1 4.32Å; L357-L419 HydrophobicContact CD2-CD1 3.69Å; C360-L419 HydrophobicContact CB-CD1 3.75Å; C360-L419 HydrophobicContact CB-CD2 3.75Å; C360-L419 HydrophobicContact CB-CG 4.42Å; V361-L419 HydrophobicContact CG2-CD1 3.98Å; V361-L419 HydrophobicContact CG2-CD2 3.68Å; V361-L419 HydrophobicContact CG2-CG 3.57Å; L364-L419 HydrophobicContact CD2-CD2 4.34Å; L415-L419 WeakPolarHBondContact O-CG 3.14Å; L415-L419 PolarHBondContact O-N 3.11Å; L415-L419 VanDerWaalsContact O-N 3.11Å; K416-L419 CarbonylContact O-C 3.58Å; K416-L419 WeakPolarHBondContact O-CA 3.16Å; K416-L419 WeakPolarHBondContact O-CB 3.44Å; K416-L419 PolarHBondContact O-N 3.41Å; R417-L419 VanDerWaalsContact C-N 3.27Å; R417-L419 PolarHBondContact O-N 3.4Å; L419-R422 VanDerWaalsContact O-CB 3.32Å; L419-R422 WeakPolarHBondContact O-CB 3.48Å; L419-R422 WeakPolarHBondContact O-CD 3.43Å; L419-R422 WeakPolarHBondContact O-CG 3.38Å; L419-R422 PolarHBondContact O-N 3.41Å; L419-R422 PolarHBondContact O-NH1 3.47Å |
| 420 | D | 93.8 | Very high | 93.7 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 170.1 | -59.5 | -44 | 0 | 0 | 0 | 109.7 | K416 R417 R422 | K416-D420 VanDerWaalsContact C-OD2 3.25Å; K416-D420 VanDerWaalsContact O-CG 3.24Å; K416-D420 PolarHBondContact O-N 2.93Å; K416-D420 VanDerWaalsContact O-OD2 3.08Å; R417-D420 WeakPolarHBondContact CA-OD2 3.3Å; R417-D420 PolarHBondContact N-OD2 2.82Å; R417-D420 PolarHBondContact O-N 2.84Å; D420-R422 VanDerWaalsContact C-N 3.34Å; D420-R422 PolarHBondContact O-N 3.22Å |
| 421 | E | 93.4 | Very high | 93.3 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 41% | 0.407 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 10.7 | 177.1 | -70.8 | -179.8 | -142.3 | 0 | 0 | 114.8 | P399 R417 H423 G424 I425 | P399-E421 WeakPolarHBondContact CA-OE2 3.31Å; P399-E421 WeakPolarHBondContact CB-OE1 3.38Å; P399-E421 HydrophobicContact CG-CB 4.25Å; P399-E421 VanDerWaalsContact CG-CD 3.47Å; P399-E421 HydrophobicContact CG-CG 4.17Å; P399-E421 WeakPolarHBondContact CG-OE1 3.32Å; R417-E421 PolarHBondContact O-N 3.43Å; E421-H423 PolarHBondContact O-N 2.74Å; E421-G424 PolarHBondContact O-N 3.02Å; E421-I425 PolarHBondContact O-N 3.35Å |
| 422 | R | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -24.3 | -171.8 | 69 | -169.3 | -178.1 | -68.9 | -2.6 | 116.7 | I336 V337 E339 D345 L364 I418 L419 D420 | I336-R422 PolarHBondContact O-NE 3.37Å; V337-R422 VanDerWaalsContact O-CD 3.25Å; V337-R422 WeakPolarHBondContact O-CD 3.4Å; V337-R422 PolarHBondContact O-NE 3.38Å; E339-R422 PolarHBondContact O-NH2 3.33Å; D345-R422 IonicContact OD1-CZ 2.69Å; D345-R422 IonicContact OD1-NH1 3.69Å; D345-R422 PolarHBondContact OD1-NH1 3.49Å; D345-R422 IonicContact OD1-NH2 2.73Å; D345-R422 PolarHBondContact OD1-NH2 3.49Å; L364-R422 HydrophobicContact CD1-CB 4.07Å; L364-R422 WeakPolarHBondContact CD1-O 3.33Å; L364-R422 HydrophobicContact CD2-CB 3.65Å; I418-R422 PolarHBondContact O-N 3.44Å; L419-R422 VanDerWaalsContact O-CB 3.32Å; L419-R422 WeakPolarHBondContact O-CB 3.48Å; L419-R422 WeakPolarHBondContact O-CD 3.43Å; L419-R422 WeakPolarHBondContact O-CG 3.38Å; L419-R422 PolarHBondContact O-N 3.41Å; L419-R422 PolarHBondContact O-NH1 3.47Å; D420-R422 VanDerWaalsContact C-N 3.34Å; D420-R422 PolarHBondContact O-N 3.22Å |
| 423 | H | 93.3 | Very high | 92.1 | Very high | 60 Ų | 60 | 62.5 Ų | 62.5 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -17.8 | 178 | -62.5 | -66.8 | 0 | 0 | 0 | 113.5 | V337 H338 E339 K340 E421 | V337-H423 PolarHBondContact O-CE1 3.1Å; H338-H423 VanDerWaalsContact CA-CE1 3.45Å; H338-H423 WeakPolarHBondContact CA-CE1 3.41Å; H338-H423 PolarHBondContact O-CE1 3.07Å; E339-H423 PolarHBondContact N-CE1 3.02Å; E339-H423 PolarHBondContact O-CE1 3.12Å; E339-H423 PolarHBondContact O-NE2 3.39Å; E339-H423 VanDerWaalsContact O-NE2 3.13Å; K340-H423 VanDerWaalsContact CA-NE2 3.35Å; K340-H423 WeakPolarHBondContact CA-NE2 3.41Å; K340-H423 PolarHBondContact N-CE1 2.97Å; K340-H423 VanDerWaalsContact N-CE1 3.32Å; E421-H423 PolarHBondContact O-N 2.74Å |
| 424 | G | 91.1 | Very high | 90.6 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 37% | 0.371 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -26.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E421 R426 | E421-G424 PolarHBondContact O-N 3.02Å; G424-R426 PolarHBondContact O-N 3.27Å |
| 425 | I | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -63.3 | 117.7 | -176.4 | -69.3 | 171.9 | 0 | 0 | 0 | 111.5 | L364 F365 R368 I396 G397 I398 I418 E421 | L364-I425 HydrophobicContact CD2-CD1 3.79Å; L364-I425 HydrophobicContact CG-CG2 4.5Å; F365-I425 HydrophobicContact CD1-CG2 4.24Å; F365-I425 HydrophobicContact CE1-CD1 4.34Å; F365-I425 HydrophobicContact CE1-CG2 4.18Å; R368-I425 VanDerWaalsContact CD-O 3.3Å; R368-I425 WeakPolarHBondContact CD-O 3.44Å; R368-I425 HydrophobicContact CG-CG2 4.43Å; R368-I425 WeakPolarHBondContact CG-O 3.48Å; R368-I425 PolarHBondContact NE-O 3.23Å; I396-I425 VanDerWaalsContact O-CA 3.3Å; I396-I425 WeakPolarHBondContact O-CA 3.3Å; G397-I425 WeakPolarHBondContact O-CG1 3.46Å; I398-I425 HydrophobicContact CG1-CD1 4.29Å; I398-I425 HydrophobicContact CG1-CG1 4.18Å; I418-I425 HydrophobicContact CG2-CD1 3.69Å; I418-I425 VanDerWaalsContact O-CD1 3.28Å; I418-I425 WeakPolarHBondContact O-CD1 3.4Å; E421-I425 PolarHBondContact O-N 3.35Å | ||
| 426 | R | 94.1 | Very high | 87 | Confident | 142 Ų | 142 | 71 Ų | 71 | 54% | 0.536 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 149.3 | 176.6 | -67.6 | -178.7 | -67.3 | -177.4 | 2.4 | 111.3 | I395 I396 G424 | I395-R426 WeakPolarHBondContact CA-O 3.32Å; I396-R426 PolarHBondContact N-O 3.08Å; I396-R426 PolarHBondContact O-N 2.85Å; G424-R426 PolarHBondContact O-N 3.27Å |
| 427 | F | 95.4 | Very high | 85.1 | Confident | 11 Ų | 11 | 74 Ų | 74 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 147.2 | 172.1 | -68.8 | -108 | 0 | 0 | 0 | 109.5 | F365 R368 Y369 A372 V381 V393 E394 I395 F404 | F365-F427 HydrophobicContact CB-CE2 4.47Å; F365-F427 HydrophobicContact CB-CZ 4.27Å; F365-F427 HydrophobicContact CD1-CE2 4.24Å; F365-F427 HydrophobicContact CD1-CZ 4.22Å; F365-F427 HydrophobicContact CG-CZ 4.42Å; R368-F427 HydrophobicContact CB-CD2 3.63Å; R368-F427 HydrophobicContact CB-CE2 3.91Å; Y369-F427 AromaticContact CD2-CD1 3.87Å; Y369-F427 HydrophobicContact CD2-CD1 3.87Å; Y369-F427 HydrophobicContact CD2-CE1 4.31Å; Y369-F427 HydrophobicContact CD2-CG 4.28Å; A372-F427 HydrophobicContact CB-CB 3.68Å; A372-F427 VanDerWaalsContact CB-O 3.26Å; A372-F427 WeakPolarHBondContact CB-O 3.37Å; V381-F427 HydrophobicContact CG1-CE1 4.19Å; V381-F427 HydrophobicContact CG2-CZ 4.35Å; V393-F427 HydrophobicContact CG1-CB 4.47Å; V393-F427 HydrophobicContact CG1-CD1 3.85Å; E394-F427 CarbonylContact O-C 3.59Å; E394-F427 WeakPolarHBondContact O-CA 3.43Å; I395-F427 HydrophobicContact CD1-CD1 3.95Å; I395-F427 HydrophobicContact CD1-CE1 3.52Å; I395-F427 HydrophobicContact CD1-CZ 4.27Å; I395-F427 HydrophobicContact CG1-CD1 3.72Å; I395-F427 HydrophobicContact CG1-CE1 3.83Å; I395-F427 HydrophobicContact CG1-CG 4.48Å; I395-F427 HydrophobicContact CG2-CD1 4.35Å; I395-F427 HydrophobicContact CG2-CE1 4.25Å; I395-F427 HydrophobicContact CG2-CE2 4.42Å; I395-F427 HydrophobicContact CG2-CG 4.49Å; I395-F427 HydrophobicContact CG2-CZ 4.29Å; F404-F427 HydrophobicContact CE1-CE1 4.32Å; F404-F427 HydrophobicContact CE2-CE1 4.22Å; F404-F427 AromaticContact CE2-CZ 3.88Å; F404-F427 HydrophobicContact CE2-CZ 3.88Å; F404-F427 AromaticContact CZ-CE1 3.72Å; F404-F427 HydrophobicContact CZ-CE1 3.72Å; F404-F427 AromaticContact CZ-CZ 3.73Å; F404-F427 HydrophobicContact CZ-CZ 3.73Å |
| 428 | I | 93.2 | Very high | 83 | Confident | 73 Ų | 73 | 70 Ų | 70 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 116.2 | 174.7 | -60.7 | -179.3 | 0 | 0 | 0 | 108.1 | V393 E394 I396 K430 | V393-I428 WeakPolarHBondContact CA-O 2.97Å; E394-I428 HydrophobicContact CB-CB 4.3Å; E394-I428 PolarHBondContact N-O 3.03Å; E394-I428 PolarHBondContact O-N 3.49Å; I396-I428 HydrophobicContact CD1-CD1 3.61Å; I396-I428 HydrophobicContact CG1-CD1 4.44Å; I428-K430 HydrophobicContact CG2-CG 4.4Å; I428-K430 PolarHBondContact O-N 2.94Å |
| 429 | I | 92.8 | Very high | 80.8 | Confident | 41 Ų | 41 | 74.7 Ų | 74.7 | 21% | 0.21 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 99.9 | -179.2 | -58.3 | -177.7 | 0 | 0 | 0 | 108.5 | Y369 A372 L373 V393 | Y369-I429 HydrophobicContact CE2-CD1 4.23Å; A372-I429 HydrophobicContact CB-CD1 4.35Å; A372-I429 HydrophobicContact CB-CG1 4.24Å; A372-I429 WeakPolarHBondContact O-CD1 3.26Å; L373-I429 HydrophobicContact CD2-CD1 3.39Å; L373-I429 HydrophobicContact CG-CD1 3.61Å; V393-I429 HydrophobicContact CG2-CG1 4.38Å |
| 430 | K | 89.4 | Confident | 78.4 | Confident | 122 Ų | 122 | 78.1 Ų | 78.1 | 53% | 0.53 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -74.6 | -27.4 | 179.5 | -69.5 | -176.2 | 174.9 | 176.2 | 0 | 112.3 | A392 E394 I428 | A392-K430 PolarHBondContact O-N 3.31Å; E394-K430 HydrophobicContact CB-CD 4.33Å; E394-K430 VanDerWaalsContact CD-CE 3.49Å; E394-K430 IonicContact OE1-NZ 3.72Å; E394-K430 PolarHBondContact OE1-NZ 3.43Å; E394-K430 WeakPolarHBondContact OE2-CE 3.33Å; E394-K430 IonicContact OE2-NZ 2.74Å; E394-K430 PolarHBondContact OE2-NZ 2.98Å; I428-K430 HydrophobicContact CG2-CG 4.4Å; I428-K430 PolarHBondContact O-N 2.94Å |
| 431 | R | 83.7 | Confident | 76 | Confident | 110 Ų | 110 | 79 Ų | 79 | 42% | 0.415 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -166.3 | 158 | 170.7 | 51.8 | 177.8 | 175.3 | 72.1 | 6.8 | 111.5 | D389 A392 | D389-R431 VanDerWaalsContact CG-NH2 3.28Å; D389-R431 IonicContact OD1-CZ 2.77Å; D389-R431 IonicContact OD1-NH1 3.64Å; D389-R431 IonicContact OD1-NH2 2.67Å; D389-R431 PolarHBondContact OD1-NH2 3.35Å; D389-R431 IonicContact OD2-CZ 2.74Å; D389-R431 VanDerWaalsContact OD2-CZ 3.31Å; D389-R431 IonicContact OD2-NH1 2.81Å; D389-R431 PolarHBondContact OD2-NH1 3.25Å; D389-R431 IonicContact OD2-NH2 3.93Å; D389-R431 PolarHBondContact OD2-NH2 3Å; A392-R431 HydrophobicContact CB-CG 4.36Å; A392-R431 PolarHBondContact O-N 3.16Å |
| 432 | M | 81.4 | Confident | 73.3 | Confident | 144 Ų | 144 | 77.9 Ų | 77.9 | 71% | 0.709 | 41% | 0.411 | S | S | * | . | trans | -64.9 | 153.9 | 172.9 | -66.1 | -65.3 | 171.5 | 0 | 0 | 112.1 | D434 | M432-D434 PolarHBondContact O-N 2.85Š| ||
| 433 | F | 80.5 | Confident | 70.5 | Confident | 31 Ų | 31 | 86.5 Ų | 86.5 | 14% | 0.136 | 45% | 0.449 | C | S | . | . | trans | -76.6 | 111.7 | 175 | -63.7 | -71.9 | 0 | 0 | 0 | 111.2 | P382 K385 I386 A392 V393 E435 F438 | P382-F433 HydrophobicContact CG-CE2 3.81Å; P382-F433 HydrophobicContact CG-CZ 4.28Å; K385-F433 HydrophobicContact CB-CD1 3.72Å; K385-F433 HydrophobicContact CB-CD2 4.21Å; K385-F433 HydrophobicContact CB-CE1 3.62Å; K385-F433 HydrophobicContact CB-CE2 4.14Å; K385-F433 HydrophobicContact CB-CG 4.01Å; K385-F433 HydrophobicContact CB-CZ 3.85Å; K385-F433 HydrophobicContact CD-CB 3.92Å; K385-F433 HydrophobicContact CD-CD1 4.35Å; K385-F433 HydrophobicContact CD-CD2 3.9Å; K385-F433 HydrophobicContact CD-CG 3.81Å; I386-F433 HydrophobicContact CG1-CE1 4.43Å; I386-F433 HydrophobicContact CG1-CZ 3.73Å; A392-F433 HydrophobicContact CB-CD1 3.86Å; A392-F433 HydrophobicContact CB-CE1 3.62Å; A392-F433 HydrophobicContact CB-CZ 4.33Å; V393-F433 HydrophobicContact CG2-CE1 4.37Å; V393-F433 HydrophobicContact CG2-CE2 4.12Å; V393-F433 HydrophobicContact CG2-CZ 3.61Å; F433-E435 PolarHBondContact O-N 3.47Å; F433-F438 HydrophobicContact CB-CE2 4.21Å | ||
| 434 | D | 61.2 | Low | 67.6 | Low | 53 Ų | 53 | 91.3 Ų | 91.3 | 28% | 0.283 | 48% | 0.475 | S | S | . | . | trans | -72.3 | 117.8 | 177.1 | -171.3 | -25.7 | 0 | 0 | 0 | 111.6 | M432 R436 I437 F438 | M432-D434 PolarHBondContact O-N 2.85Å; D434-R436 PolarHBondContact O-N 2.64Å; D434-R436 WeakPolarHBondContact OD1-CB 3.19Å; D434-R436 VanDerWaalsContact OD1-CG 3.28Å; D434-R436 WeakPolarHBondContact OD1-CG 3.43Å; D434-R436 IonicContact OD1-CZ 2.72Å; D434-R436 PolarHBondContact OD1-N 2.96Å; D434-R436 IonicContact OD1-NE 2.67Å; D434-R436 PolarHBondContact OD1-NE 3.05Å; D434-R436 IonicContact OD1-NH2 2.73Å; D434-R436 IonicContact OD2-CZ 3.28Å; D434-R436 VanDerWaalsContact OD2-CZ 3.27Å; D434-R436 IonicContact OD2-NE 2.72Å; D434-R436 PolarHBondContact OD2-NE 3.28Å; D434-R436 IonicContact OD2-NH2 3.18Å; D434-R436 PolarHBondContact OD2-NH2 2.91Å; D434-I437 HydrophobicContact CB-CD1 4.03Å; D434-I437 HydrophobicContact CB-CG1 4.19Å; D434-I437 PolarHBondContact O-N 2.94Å; D434-F438 WeakPolarHBondContact O-CD2 3.25Å | ||
| 435 | E | 57.4 | Low | 64.6 | Low | 131 Ų | 131 | 96 Ų | 96 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.5 | -18.8 | -176.4 | -53.6 | -143.8 | 119.8 | 0 | 0 | 113.6 | K385 F433 I437 F438 T439 | K385-E435 IonicContact NZ-OE1 3.88Å; K385-E435 PolarHBondContact NZ-OE1 2.93Å; F433-E435 PolarHBondContact O-N 3.47Å; E435-I437 VanDerWaalsContact C-N 3.3Å; E435-I437 PolarHBondContact O-N 2.57Å; E435-F438 PolarHBondContact O-N 3.32Å; E435-T439 PolarHBondContact O-N 3.37Å; E435-T439 PolarHBondContact O-OG1 3.37Å |
| 436 | R | 56.6 | Low | 61.4 | Low | 189 Ų | 189 | 105.3 Ų | 105.3 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.3 | -36.4 | 176.8 | -61.5 | 175.9 | -71.2 | -170.1 | 1.5 | 111.4 | D434 F438 T439 A440 | D434-R436 PolarHBondContact O-N 2.64Å; D434-R436 WeakPolarHBondContact OD1-CB 3.19Å; D434-R436 VanDerWaalsContact OD1-CG 3.28Å; D434-R436 WeakPolarHBondContact OD1-CG 3.43Å; D434-R436 IonicContact OD1-CZ 2.72Å; D434-R436 PolarHBondContact OD1-N 2.96Å; D434-R436 IonicContact OD1-NE 2.67Å; D434-R436 PolarHBondContact OD1-NE 3.05Å; D434-R436 IonicContact OD1-NH2 2.73Å; D434-R436 IonicContact OD2-CZ 3.28Å; D434-R436 VanDerWaalsContact OD2-CZ 3.27Å; D434-R436 IonicContact OD2-NE 2.72Å; D434-R436 PolarHBondContact OD2-NE 3.28Å; D434-R436 IonicContact OD2-NH2 3.18Å; D434-R436 PolarHBondContact OD2-NH2 2.91Å; R436-F438 PolarHBondContact O-N 3.16Å; R436-T439 PolarHBondContact O-N 3.17Å; R436-A440 WeakPolarHBondContact O-CB 3.26Å; R436-A440 PolarHBondContact O-N 3.11Å |
| 437 | I | 56.1 | Low | 58.2 | Low | 97 Ų | 97 | 107.8 Ų | 107.8 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 177.6 | -55.1 | 176 | 0 | 0 | 0 | 110.4 | D434 E435 | D434-I437 HydrophobicContact CB-CD1 4.03Å; D434-I437 HydrophobicContact CB-CG1 4.19Å; D434-I437 PolarHBondContact O-N 2.94Å; E435-I437 VanDerWaalsContact C-N 3.3Å; E435-I437 PolarHBondContact O-N 2.57Å |
| 438 | F | 51.3 | Low | 55 | Low | 70 Ų | 70 | 114.1 Ų | 114.1 | 31% | 0.307 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -75 | -24.9 | -179.1 | -62 | -79.4 | 0 | 0 | 0 | 113.2 | K385 C388 F433 D434 E435 R436 | K385-F438 HydrophobicContact CB-CE1 4.39Å; K385-F438 HydrophobicContact CB-CZ 3.94Å; K385-F438 HydrophobicContact CD-CE2 4.32Å; K385-F438 HydrophobicContact CD-CZ 4.34Å; K385-F438 HydrophobicContact CG-CE1 4.14Å; K385-F438 HydrophobicContact CG-CE2 4.36Å; K385-F438 HydrophobicContact CG-CZ 3.89Å; C388-F438 HydrophobicContact CB-CE1 4.03Å; F433-F438 HydrophobicContact CB-CE2 4.21Å; D434-F438 WeakPolarHBondContact O-CD2 3.25Å; E435-F438 PolarHBondContact O-N 3.32Å; R436-F438 PolarHBondContact O-N 3.16Å |
| 439 | T | 48.8 | Very low | 51.9 | Low | 98 Ų | 98 | 114.4 Ų | 114.4 | 60% | 0.601 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -82.4 | -40.8 | 178.4 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | E435 R436 A441 G442 | E435-T439 PolarHBondContact O-N 3.37Å; E435-T439 PolarHBondContact O-OG1 3.37Å; R436-T439 PolarHBondContact O-N 3.17Å; T439-A441 VanDerWaalsContact C-N 3.31Å; T439-A441 PolarHBondContact O-N 3.02Å; T439-G442 PolarHBondContact O-N 2.97Å |
| 440 | A | 43.7 | Very low | 48.8 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.7 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R436 G442 K443 | R436-A440 WeakPolarHBondContact O-CB 3.26Å; R436-A440 PolarHBondContact O-N 3.11Å; A440-G442 PolarHBondContact O-N 3.03Å; A440-G442 VanDerWaalsContact O-N 3.07Å; A440-K443 PolarHBondContact O-N 2.99Å |
| 441 | A | 42.9 | Very low | 45.8 | Very low | 93 Ų | 93 | 124.3 Ų | 124.3 | 77% | 0.769 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -10.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T439 | T439-A441 VanDerWaalsContact C-N 3.31Å; T439-A441 PolarHBondContact O-N 3.02Å |
| 442 | G | 37.6 | Very low | 42.9 | Very low | 64 Ų | 64 | 126.1 Ų | 126.1 | 66% | 0.66 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -9.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T439 A440 | T439-G442 PolarHBondContact O-N 2.97Å; A440-G442 PolarHBondContact O-N 3.03Å; A440-G442 VanDerWaalsContact O-N 3.07Å |
| 443 | K | 33.8 | Very low | 40.8 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 78% | 0.783 | 67% | 0.667 | S | S | * | * | trans | -136.5 | 81.5 | -175.8 | -73.1 | -169.9 | 176.9 | -175.6 | 0 | 112.8 | A440 | A440-K443 PolarHBondContact O-N 2.99Š| ||
| 444 | I | 33.3 | Very low | 38 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 83% | 0.831 | 70% | 0.697 | S | S | * | * | trans | -101.6 | 98.5 | 151 | 48.7 | 164.8 | 0 | 0 | 0 | 109 | R446 | I444-R446 PolarHBondContact O-N 3.35Š| ||
| 445 | V | 27.2 | Very low | 36.2 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | -68.3 | 127.5 | 162 | 170.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 446 | R | 28.4 | Very low | 34.7 | Very low | 196 Ų | 196 | 128.7 Ų | 128.7 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | trans | -82.1 | 118.8 | 164.8 | -71.4 | 173.6 | 88.9 | -179.7 | 4.7 | 107.6 | I444 E448 | I444-R446 PolarHBondContact O-N 3.35Å; R446-E448 IonicContact CZ-OE2 2.64Å; R446-E448 IonicContact NE-OE2 2.75Å; R446-E448 PolarHBondContact NE-OE2 3.3Å; R446-E448 IonicContact NH2-OE2 3.64Å; R446-E448 PolarHBondContact NH2-OE2 2.88Å | ||
| 447 | E | 27.8 | Very low | 33.7 | Very low | 193 Ų | 193 | 124.8 Ų | 124.8 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | -111.8 | 139.2 | 139.9 | -161 | 178.1 | -167.3 | 0 | 0 | 106.7 | ||||
| 448 | E | 27.6 | Very low | 32.2 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | -151.6 | 105.9 | -172.4 | -170.6 | 173.3 | -179.3 | 0 | 0 | 111.1 | R446 | R446-E448 IonicContact CZ-OE2 2.64Å; R446-E448 IonicContact NE-OE2 2.75Å; R446-E448 PolarHBondContact NE-OE2 3.3Å; R446-E448 IonicContact NH2-OE2 3.64Å; R446-E448 PolarHBondContact NH2-OE2 2.88Å | ||
| 449 | G | 29.2 | Very low | 31 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 109.1 | 108.2 | 145 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 450 | K | 26 | Very low | 29.8 | Very low | 213 Ų | 213 | 131.9 Ų | 131.9 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | -147.4 | 161 | 124.2 | -134.8 | 173.8 | -179.3 | -178.7 | 0 | 111.2 | |||||
| 451 | L | 28.3 | Very low | 28.7 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -103.8 | 135.8 | -165.5 | -66.8 | 165.6 | 0 | 0 | 0 | 109.4 | ||||
| 452 | D | 22.1 | Very low | 27.8 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | 77.8 | 147.9 | 78.5 | -159.1 | 45.7 | 0 | 0 | 0 | 112.5 | |||||
| 453 | P | 37.5 | Very low | 27 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | cis | -126.5 | -178.2 | -7.7 | 41.4 | -26.8 | 0 | 0 | 0 | 114.6 | ||||
| 454 | G | 21.8 | Very low | 26.5 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 159 | 116.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 455 | C | 23.2 | Very low | 26.1 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | trans | 24 | 132.4 | 153.6 | -106.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 456 | A | 24.7 | Very low | 26 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -90.5 | 174.4 | 140.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 457 | P | 36.3 | Very low | 25.9 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | cis | -137 | 178.4 | 35.6 | 37.3 | -16 | 0 | 0 | 0 | 116.3 | ||||
| 458 | E | 23.8 | Very low | 26.3 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | 164.3 | 153.5 | 120.9 | -84.3 | -57.8 | 93 | 0 | 0 | 111.8 | |||||
| 459 | D | 26.1 | Very low | 26.8 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -90.6 | 163.5 | -176.3 | -88.4 | -59.6 | 0 | 0 | 0 | 114.2 | ||||
| 460 | G | 23.5 | Very low | 26.7 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 171.9 | 88.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 461 | F | 21.7 | Very low | 26.8 | Very low | 209 Ų | 209 | 126.2 Ų | 126.2 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | -93 | 132.9 | 162.8 | -89.5 | -102.8 | 0 | 0 | 0 | 110.6 | ||||
| 462 | S | 23.5 | Very low | 26.8 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | 167.7 | 144.8 | 103 | -117 | 0 | 0 | 0 | 0 | 115 | |||||
| 463 | D | 21.9 | Very low | 27 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | trans | 54.5 | 107.2 | 144 | -66.2 | -68.4 | 0 | 0 | 0 | 124.5 | ||||
| 464 | C | 22.1 | Very low | 26.5 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | 48 | 120.6 | 109.2 | -54.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 465 | L | 26.4 | Very low | 26.6 | Very low | 167 Ų | 167 | 127.2 Ų | 127.2 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | -179.3 | 139.5 | 99.8 | -94 | 170.5 | 0 | 0 | 0 | 112.4 | |||||
| 466 | G | 24.2 | Very low | 26.6 | Very low | 72 Ų | 72 | 124.5 Ų | 124.5 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | 159.6 | 111.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 467 | F | 25.5 | Very low | 26.6 | Very low | 198 Ų | 198 | 127.8 Ų | 127.8 | 87% | 0.868 | 75% | 0.752 | S | S | * | * | trans | -90.1 | 140.4 | -165.8 | -103.8 | -111 | 0 | 0 | 0 | 114.8 | ||||
| 468 | P | 37.2 | Very low | 26.1 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | trans | -86.5 | 178.7 | 160.7 | 39.6 | -36 | 0 | 0 | 0 | 110.9 | ||||
| 469 | P | 38.7 | Very low | 26.3 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | -154.7 | 160.1 | 99.7 | 39.8 | -22.5 | 0 | 0 | 0 | 117.3 | |||||
| 470 | T | 26.2 | Very low | 26.2 | Very low | 137 Ų | 137 | 123.1 Ų | 123.1 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | trans | 64.2 | 157.4 | 146.8 | 46.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 471 | A | 29 | Very low | 26.6 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | cis | -170.6 | 167.4 | -6.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 472 | A | 28.2 | Very low | 26.9 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 63% | 0.628 | 74% | 0.738 | S | S | * | * | cis | -171.9 | 149.6 | -16.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 473 | E | 26 | Very low | 27.1 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | 58.8 | 156.2 | 136.1 | -63.8 | -170.2 | 141.2 | 0 | 0 | 121.5 | ||||
| 474 | L | 27.5 | Very low | 27.3 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 63% | 0.634 | 75% | 0.749 | S | S | * | * | cis | -167.2 | 166 | -11.3 | -114.1 | 174.7 | 0 | 0 | 0 | 111.8 | ||||
| 475 | L | 23.2 | Very low | 27.6 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 62.4 | 164.2 | 153 | -63.7 | 163.3 | 0 | 0 | 0 | 120.2 | ||||
| 476 | S | 22.4 | Very low | 27.6 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 57% | 0.573 | 75% | 0.747 | S | S | * | * | cis | -175.1 | 146.8 | -43.9 | 60.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 477 | N | 24.4 | Very low | 27.6 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | 62.9 | 158.8 | 150.2 | -75.8 | 1.2 | 0 | 0 | 0 | 120.4 | ||||
| 478 | A | 27.2 | Very low | 27.5 | Very low | 63 Ų | 63 | 123.9 Ų | 123.9 | 52% | 0.521 | 75% | 0.749 | S | S | . | * | cis | -171 | -174.5 | -21.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 479 | H | 27 | Very low | 26.9 | Very low | 184 Ų | 184 | 124.1 Ų | 124.1 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | 81.7 | 147.1 | 159.5 | -53.4 | -44.1 | 0 | 0 | 0 | 118.1 | ||||
| 480 | S | 25.3 | Very low | 26.7 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -162.7 | 144.2 | -12.8 | -177.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 481 | S | 31.5 | Very low | 26.5 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 32.3 | 131.4 | 144.6 | -41.8 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 482 | R | 28.3 | Very low | 26.4 | Very low | 253 Ų | 253 | 126.9 Ų | 126.9 | 96% | 0.955 | 76% | 0.757 | S | S | * | * | -166.3 | 172.8 | 118.6 | -117.8 | -178.3 | -179.7 | -177.3 | 1.1 | 114 | |||||
| 483 | S | 26.3 | Very low | 26.3 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -123.2 | 153.1 | -170.9 | -30 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 484 | T | 27.5 | Very low | 26.2 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -168.2 | 138.1 | 148.2 | 13.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 485 | S | 27.3 | Very low | 26.1 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | 47.9 | 146.5 | 138.1 | 69.9 | 0 | 0 | 0 | 0 | 126 | ||||
| 486 | A | 26 | Very low | 26.3 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 87.3 | 165 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 487 | C | 25.4 | Very low | 26.4 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -134 | -178.4 | -158.7 | -56.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 488 | V | 22.8 | Very low | 27.1 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | 91.3 | 96.5 | 170.3 | -171.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 489 | S | 24.8 | Very low | 26.9 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -72.8 | 154.9 | 146.9 | -35.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 490 | P | 33.6 | Very low | 26.9 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -146.4 | 151.4 | 74 | 38.7 | -22.1 | 0 | 0 | 0 | 115.9 | |||||
| 491 | Q | 22.6 | Very low | 26.8 | Very low | 189 Ų | 189 | 126.8 Ų | 126.8 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -147 | 138.8 | 146 | -162.7 | 78 | 16.9 | 0 | 0 | 106.4 | ||||
| 492 | A | 26.3 | Very low | 26.5 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | trans | -114.3 | 163 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 493 | D | 26.3 | Very low | 26.2 | Very low | 156 Ų | 156 | 117.2 Ų | 117.2 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -69 | 179.5 | -159.1 | -56.1 | -92.2 | 0 | 0 | 0 | 117.5 | ||||
| 494 | S | 24.8 | Very low | 26.7 | Very low | 106 Ų | 106 | 117.2 Ų | 117.2 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 80.3 | 135.2 | 168.7 | -67.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 495 | E | 24.8 | Very low | 26.7 | Very low | 178 Ų | 178 | 117.2 Ų | 117.2 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | cis | -155.5 | 174.2 | 0.3 | -140.7 | 173.5 | 102.5 | 0 | 0 | 113.1 | ||||
| 496 | A | 27.7 | Very low | 26.7 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | 70.1 | 135.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 497 | G | 25.1 | Very low | 26.9 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -109.6 | -150.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 498 | P | 37.6 | Very low | 27 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | cis | -140.7 | -178.3 | 9 | 43.7 | -26.3 | 0 | 0 | 0 | 116.8 | ||||
| 499 | S | 24.5 | Very low | 27.1 | Very low | 125 Ų | 125 | 132 Ų | 132 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 78.9 | 157.6 | 150.7 | -150 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 500 | G | 26.6 | Very low | 27.3 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | 82.8 | 95.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 501 | D | 23.9 | Very low | 27 | Very low | 176 Ų | 176 | 136 Ų | 136 | 94% | 0.941 | 79% | 0.787 | S | S | * | * | 71.5 | 143.8 | 50.8 | -160.7 | 22.4 | 0 | 0 | 0 | 114.7 | |||||
| 502 | G | 24.4 | Very low | 28.5 | Very low | 63 Ų | 63 | 131.7 Ų | 131.7 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | 91.3 | 86.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 503 | A | 22.6 | Very low | 29.5 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | -74.7 | 177 | 140 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 504 | P | 35.6 | Very low | 29.6 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | cis | -143.6 | -169.4 | 10.8 | 34 | -9.2 | 0 | 0 | 0 | 115.5 | ||||
| 505 | L | 27.2 | Very low | 29.8 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | 162.9 | 111.4 | 115.6 | -85.1 | 175.4 | 0 | 0 | 0 | 117.3 | |||||
| 506 | R | 28.1 | Very low | 30 | Very low | 209 Ų | 209 | 130.6 Ų | 130.6 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | trans | 22.5 | 109.6 | 132.8 | -51.6 | 179.1 | -170 | 179.9 | 3.1 | 121.4 | ||||
| 507 | R | 30.4 | Very low | 30.3 | Very low | 223 Ų | 223 | 132.2 Ų | 132.2 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | 173.5 | 127.6 | 107.1 | -94.1 | 163.2 | -79.7 | -165.2 | -0.9 | 109.6 | |||||
| 508 | I | 27.7 | Very low | 30.4 | Very low | 149 Ų | 149 | 135 Ų | 135 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | 70.1 | 106.2 | 69.5 | -63.7 | 171.8 | 0 | 0 | 0 | 113.1 | |||||
| 509 | K | 24 | Very low | 29.8 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | 63.9 | 148.4 | 155.7 | -111.9 | 167.7 | 174.1 | 176.6 | 0 | 116.4 | ||||
| 510 | T | 30.3 | Very low | 29.9 | Very low | 129 Ų | 129 | 137 Ų | 137 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | cis | -141.9 | -174.6 | 20.5 | -44.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 511 | E | 27.2 | Very low | 29.8 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -95.5 | -156.8 | -167.2 | -142.1 | -165.7 | 146.8 | 0 | 0 | 112.6 | ||||
| 512 | P | 53.5 | Low | 29.9 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | -112.8 | -147.1 | -135.7 | 44.3 | -24 | 0 | 0 | 0 | 111 | ||||
| 513 | P | 46.3 | Very low | 30.6 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | cis | -134.5 | -171.9 | -12.6 | 40.5 | -21.1 | 0 | 0 | 0 | 115.4 | ||||
| 514 | D | 28.5 | Very low | 30.8 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | 26.1 | 132.3 | 149.3 | -56.1 | -36.7 | 0 | 0 | 0 | 122 | ||||
| 515 | G | 29.9 | Very low | 30.3 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 179.4 | 44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 516 | D | 29.8 | Very low | 30.2 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | 56.1 | 162.2 | 140.6 | -118.5 | -27.6 | 0 | 0 | 0 | 125.1 | ||||
| 517 | I | 33 | Very low | 30.2 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | 81.7 | 101.3 | 150.3 | -71.3 | 164.7 | 0 | 0 | 0 | 122.6 | ||||
| 518 | I | 28.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 67% | 0.672 | 77% | 0.771 | S | S | * | * | 80 | 105.2 | 125.7 | -65.6 | -177.1 | 0 | 0 | 0 | 123.6 | |||||
| 519 | Q | 24.9 | Very low | 29.7 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | 73.6 | 162.1 | 130.3 | -65.6 | -179.6 | 21.5 | 0 | 0 | 125.3 | ||||
| 520 | V | 25.2 | Very low | 29.7 | Very low | 121 Ų | 121 | 127 Ų | 127 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 102.1 | 87.8 | 154.9 | -166.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 521 | T | 24.3 | Very low | 29.5 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 68.3 | 106.1 | 130.9 | -48.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 522 | V | 26.5 | Very low | 30.5 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | 55.1 | 140 | 80.7 | -179.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 523 | P | 40.2 | Very low | 29.3 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | cis | -122.3 | -160.7 | 8.7 | 17.2 | 10 | 0 | 0 | 0 | 113.3 | ||||
| 524 | D | 25.8 | Very low | 28.3 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | cis | 160 | 173.3 | -37.2 | -165.2 | 12.9 | 0 | 0 | 0 | 109.5 | ||||
| 525 | A | 26.1 | Very low | 28.2 | Very low | 96 Ų | 96 | 128 Ų | 128 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | 75.7 | 141.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 526 | G | 24.5 | Very low | 28 | Very low | 58 Ų | 58 | 132.8 Ų | 132.8 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | cis | -162.5 | 149.5 | -4.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 527 | T | 26.9 | Very low | 27.9 | Very low | 142 Ų | 142 | 129 Ų | 129 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | 95.6 | 124.2 | 85 | 52.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 528 | S | 23.5 | Very low | 27.7 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | 66.8 | 153.3 | 165 | -125.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 529 | G | 25.3 | Very low | 27.7 | Very low | 62 Ų | 62 | 130.5 Ų | 130.5 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | cis | 167.1 | 153.5 | -11.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 530 | E | 24.5 | Very low | 27.8 | Very low | 201 Ų | 201 | 129.8 Ų | 129.8 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | trans | 71.8 | 173 | 156.3 | -51.2 | -169.9 | 137.8 | 0 | 0 | 121 | ||||
| 531 | D | 25.9 | Very low | 28 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -128.4 | -172.3 | -156.1 | -109.7 | -47.3 | 0 | 0 | 0 | 109.9 | ||||
| 532 | P | 48 | Very low | 28.2 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | cis | -143.6 | -175 | -30.7 | 36.3 | -13.8 | 0 | 0 | 0 | 116.3 | ||||
| 533 | V | 27.5 | Very low | 28.5 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | 58.3 | 142.9 | 157.3 | -127.1 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 534 | E | 26.2 | Very low | 28.5 | Very low | 187 Ų | 187 | 127.3 Ų | 127.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 94.5 | 171.8 | 141.1 | -113.3 | 171.8 | 162.5 | 0 | 0 | 122.9 | ||||
| 535 | C | 24.9 | Very low | 28.5 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | -148.4 | 150.2 | -129.9 | -161.9 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 536 | L | 27.2 | Very low | 29.5 | Very low | 178 Ų | 178 | 126.2 Ų | 126.2 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | trans | 72.1 | 127.5 | 156 | -148.9 | 75.4 | 0 | 0 | 0 | 121.2 | ||||
| 537 | G | 26.9 | Very low | 29.5 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 161.6 | 140 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 538 | E | 28.2 | Very low | 29.5 | Very low | 206 Ų | 206 | 129.3 Ų | 129.3 | 96% | 0.963 | 81% | 0.81 | S | S | * | * | trans | -104.2 | 171.7 | -169.9 | -82.6 | -174.5 | 86.9 | 0 | 0 | 116.6 | ||||
| 539 | A | 28.8 | Very low | 29.9 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -58.9 | 172.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 540 | I | 27.9 | Very low | 30 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | cis | -154.5 | 144.1 | 48 | -69.3 | 173.4 | 0 | 0 | 0 | 112.9 | ||||
| 541 | S | 28.8 | Very low | 31.5 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 18.7 | 148.8 | 155.3 | -49.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 542 | A | 27.7 | Very low | 31.7 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | cis | -152.2 | 178.6 | 16.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 543 | A | 32.5 | Very low | 31.1 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -91.7 | 175.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 544 | P | 40.3 | Very low | 32.7 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | cis | -134.8 | -176.7 | 8.2 | 43.2 | -24.7 | 0 | 0 | 0 | 117.3 | ||||
| 545 | C | 27.4 | Very low | 33.9 | Very low | 121 Ų | 121 | 119.9 Ų | 119.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -81.7 | -179.3 | 178.8 | -50 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 546 | P | 46.4 | Very low | 34 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | cis | -148.3 | -169.5 | 12.2 | 43.7 | -21.7 | 0 | 0 | 0 | 119.4 | ||||
| 547 | T | 24.8 | Very low | 34.3 | Very low | 127 Ų | 127 | 115.2 Ų | 115.2 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | 82.7 | 148.2 | 149.8 | 40.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 548 | T | 26.7 | Very low | 35.2 | Very low | 138 Ų | 138 | 117.6 Ų | 117.6 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | 98 | 145.2 | 159 | -35.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 549 | A | 31.9 | Very low | 35.3 | Very low | 79 Ų | 79 | 112.4 Ų | 112.4 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | -171.6 | 147.1 | -52.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 550 | S | 28.1 | Very low | 36.8 | Very low | 116 Ų | 116 | 114 Ų | 114 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | 62.5 | -179.5 | 151.6 | -57.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 551 | P | 54.4 | Low | 37.4 | Very low | 113 Ų | 113 | 113 Ų | 113 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | cis | -138.8 | 163.5 | -2.6 | 40.8 | -22 | 0 | 0 | 0 | 119.8 | ||||
| 552 | S | 30.5 | Very low | 37.4 | Very low | 123 Ų | 123 | 111.9 Ų | 111.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | 61 | 156.4 | 139.1 | -66.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 553 | A | 36.3 | Very low | 38.7 | Very low | 92 Ų | 92 | 112.8 Ų | 112.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -167.8 | 173.4 | -10.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 554 | P | 60.4 | Low | 39.1 | Very low | 118 Ų | 118 | 114.3 Ų | 114.3 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -121.3 | -173.3 | -158 | 45.5 | -35.5 | 0 | 0 | 0 | 117.5 | ||||
| 555 | P | 50.8 | Low | 38.4 | Very low | 129 Ų | 129 | 112.5 Ų | 112.5 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | -142 | 177.1 | 116.3 | 30.4 | -12 | 0 | 0 | 0 | 113.3 | |||||
| 556 | A | 28.8 | Very low | 38.9 | Very low | 102 Ų | 102 | 111.5 Ų | 111.5 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | cis | -166.9 | -177.9 | -21.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 557 | A | 33.5 | Very low | 38 | Very low | 94 Ų | 94 | 114.1 Ų | 114.1 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -149.9 | 173 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 558 | P | 45.2 | Very low | 38.2 | Very low | 124 Ų | 124 | 115.6 Ų | 115.6 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | -162 | 164.4 | 80.1 | 42.6 | -21 | 0 | 0 | 0 | 120.9 | |||||
| 559 | A | 30.5 | Very low | 38.7 | Very low | 97 Ų | 97 | 114.4 Ų | 114.4 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 53.7 | 138.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 560 | P | 59.8 | Low | 38.5 | Very low | 123 Ų | 123 | 117.7 Ų | 117.7 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -121.3 | 164.2 | 178.8 | 43.4 | -34.2 | 0 | 0 | 0 | 117.8 | ||||
| 561 | P | 40.9 | Very low | 38.5 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -133.8 | -163.5 | 157.1 | 40.7 | -26.2 | 0 | 0 | 0 | 115.1 | ||||
| 562 | A | 27.5 | Very low | 37.2 | Very low | 91 Ų | 91 | 119.7 Ų | 119.7 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -143.5 | -171.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 563 | P | 56.4 | Low | 37.3 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | cis | -115 | -137.4 | -26.2 | 40.7 | -22.8 | 0 | 0 | 0 | 109.7 | ||||
| 564 | P | 39.4 | Very low | 36.9 | Very low | 127 Ų | 127 | 121 Ų | 121 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | cis | -132.6 | -80.6 | -16.4 | 32.9 | -8.9 | 0 | 0 | 0 | 119.2 | ||||
| 565 | A | 25.8 | Very low | 35.5 | Very low | 84 Ų | 84 | 119 Ų | 119 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | trans | -158.6 | -179.5 | -155 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 566 | P | 39.8 | Very low | 34.4 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | cis | -147.9 | -176 | 11.8 | 46.9 | -26.9 | 0 | 0 | 0 | 119.9 | ||||
| 567 | H | 27.2 | Very low | 34.3 | Very low | 163 Ų | 163 | 120.1 Ų | 120.1 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | 68.9 | 110.8 | 149.5 | -62 | -39.3 | 0 | 0 | 0 | 125.4 | ||||
| 568 | H | 28.2 | Very low | 34.1 | Very low | 159 Ų | 159 | 120.5 Ų | 120.5 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | 48.8 | 164.5 | 116.6 | -72.6 | -47.1 | 0 | 0 | 0 | 123.4 | |||||
| 569 | P | 37.3 | Very low | 33.4 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | cis | -114.3 | 159.6 | 12.5 | 5.3 | 21.8 | 0 | 0 | 0 | 116.1 | ||||
| 570 | K | 28.6 | Very low | 34 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 65% | 0.648 | 73% | 0.73 | S | S | * | * | 64.3 | 144.5 | 85.9 | -56.6 | -173.3 | 172.8 | -177.4 | 0 | 114.4 | N572 | K570-N572 WeakPolarHBondContact CG-OD1 3.33Š| |||
| 571 | E | 26.4 | Very low | 32.3 | Very low | 182 Ų | 182 | 121.7 Ų | 121.7 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | cis | -106.6 | 137.9 | 21.1 | -73.8 | 178.7 | 103.6 | 0 | 0 | 113.8 | ||||
| 572 | N | 28.5 | Very low | 31.4 | Very low | 89 Ų | 89 | 119.2 Ų | 119.2 | 48% | 0.476 | 73% | 0.734 | S | S | . | * | 78.9 | 132.5 | 61.5 | -60.3 | 3.3 | 0 | 0 | 0 | 113.5 | K570 | K570-N572 WeakPolarHBondContact CG-OD1 3.33Š| |||
| 573 | H | 32 | Very low | 31.5 | Very low | 146 Ų | 146 | 119.5 Ų | 119.5 | 68% | 0.676 | 74% | 0.737 | S | S | * | * | cis | -164.6 | 138.7 | -15.9 | -114.5 | -52.1 | 0 | 0 | 0 | 112.1 | ||||
| 574 | S | 27.6 | Very low | 30.6 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | trans | 53.6 | 161.2 | 135 | -57.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 575 | A | 30.3 | Very low | 30.4 | Very low | 77 Ų | 77 | 122.1 Ų | 122.1 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -143.6 | 140.7 | 5.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 576 | E | 29.1 | Very low | 30.6 | Very low | 177 Ų | 177 | 122.5 Ų | 122.5 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | 68.7 | 150.8 | 92.6 | -65.4 | -178.8 | 81.2 | 0 | 0 | 115.6 | |||||
| 577 | A | 26 | Very low | 30.3 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | cis | -172 | 135.7 | -19.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 578 | S | 29 | Very low | 30.3 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | cis | 86.4 | 83.6 | 44.8 | 79.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 579 | S | 30.3 | Very low | 30.7 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | 72.6 | 179.7 | 146.5 | -49.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 580 | P | 44.9 | Very low | 31.1 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | cis | -141.8 | 175.4 | 0.5 | 44.6 | -27 | 0 | 0 | 0 | 118.7 | ||||
| 581 | S | 22.2 | Very low | 31.3 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 92% | 0.916 | 74% | 0.74 | S | S | * | * | trans | 73.4 | 144.6 | 143.9 | -153.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 582 | G | 22.8 | Very low | 32.1 | Very low | 80 Ų | 80 | 123.8 Ų | 123.8 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | 137 | 100.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 583 | A | 29.2 | Very low | 32.5 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | trans | -127.1 | 162.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 584 | P | 37.8 | Very low | 33.1 | Very low | 117 Ų | 117 | 119 Ų | 119 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | -155.8 | 146.9 | 104.8 | 37.9 | -19 | 0 | 0 | 0 | 118.6 | |||||
| 585 | Q | 36 | Very low | 34.1 | Very low | 188 Ų | 188 | 119 Ų | 119 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | 41.9 | 144.4 | 128.6 | -60.1 | -172.9 | 8.2 | 0 | 0 | 122.4 | |||||
| 586 | S | 29.6 | Very low | 35 | Very low | 91 Ų | 91 | 119.7 Ų | 119.7 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | cis | -169.2 | 179.7 | -1.8 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 587 | I | 32.5 | Very low | 36.1 | Very low | 141 Ų | 141 | 116 Ų | 116 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | trans | 74.5 | 134.1 | 156.6 | -74.4 | 169.1 | 0 | 0 | 0 | 116.6 | ||||
| 588 | R | 27.8 | Very low | 37.5 | Very low | 193 Ų | 193 | 118.6 Ų | 118.6 | 73% | 0.728 | 71% | 0.712 | S | S | * | * | cis | -159.8 | 133.1 | 3.9 | -125.6 | 176.6 | -160.8 | 170.5 | 4.1 | 113.7 | ||||
| 589 | R | 36.8 | Very low | 39.5 | Very low | 207 Ų | 207 | 117.9 Ų | 117.9 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | trans | 67.9 | 168.8 | 140.7 | -111.2 | -164.6 | -85.3 | 143.1 | -11 | 120.4 | ||||
| 590 | P | 46.5 | Very low | 41.5 | Very low | 75 Ų | 75 | 115.9 Ų | 115.9 | 49% | 0.487 | 68% | 0.679 | S | S | . | * | -137.2 | 179.5 | -107.4 | 45.7 | -28.6 | 0 | 0 | 0 | 117.5 | E592 | P590-E592 HydrophobicContact CB-CG 4.02Å; P590-E592 WeakPolarHBondContact CB-OE2 3.1Å | |||
| 591 | T | 32.9 | Very low | 42.9 | Very low | 148 Ų | 148 | 111.7 Ų | 111.7 | 91% | 0.908 | 66% | 0.657 | S | S | * | * | trans | -151.8 | 78.3 | 149.4 | -64.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 592 | E | 42.1 | Very low | 46 | Very low | 130 Ų | 130 | 112.3 Ų | 112.3 | 61% | 0.607 | 65% | 0.646 | S | S | * | * | trans | -109.9 | 4.4 | -163.6 | -66.7 | 165.1 | 125.4 | 0 | 0 | 114.8 | P590 G594 | P590-E592 HydrophobicContact CB-CG 4.02Å; P590-E592 WeakPolarHBondContact CB-OE2 3.1Å; E592-G594 VanDerWaalsContact C-N 3.3Å; E592-G594 PolarHBondContact O-N 2.93Å; E592-G594 VanDerWaalsContact O-N 3.16Å | ||
| 593 | A | 38.2 | Very low | 49.1 | Very low | 87 Ų | 87 | 111.2 Ų | 111.2 | 72% | 0.719 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -12.1 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | V597 | A593-V597 WeakPolarHBondContact O-CG2 3.26Š|
| 594 | G | 43.8 | Very low | 51.9 | Low | 47 Ų | 47 | 108.4 Ų | 108.4 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.5 | -68.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | E592 L596 V597 E598 | E592-G594 VanDerWaalsContact C-N 3.3Å; E592-G594 PolarHBondContact O-N 2.93Å; E592-G594 VanDerWaalsContact O-N 3.16Å; G594-L596 VanDerWaalsContact C-N 3.26Å; G594-L596 PolarHBondContact O-N 3.42Å; G594-L596 VanDerWaalsContact O-N 3.14Å; G594-V597 WeakPolarHBondContact O-CB 3.46Å; G594-V597 PolarHBondContact O-N 3.12Å; G594-E598 PolarHBondContact O-N 2.92Å |
| 595 | S | 47.6 | Very low | 54.3 | Low | 94 Ų | 94 | 107.3 Ų | 107.3 | 66% | 0.657 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -52.3 | -38.8 | -174 | 178.3 | 0 | 0 | 0 | 0 | 114.1 | V597 E598 D599 | S595-V597 VanDerWaalsContact C-N 3.31Å; S595-V597 PolarHBondContact O-N 2.85Å; S595-E598 PolarHBondContact O-N 2.99Å; S595-D599 PolarHBondContact O-N 2.86Å |
| 596 | L | 49 | Very low | 57 | Low | 92 Ų | 92 | 102.9 Ų | 102.9 | 48% | 0.482 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.2 | -27.2 | -178.8 | -138.5 | 169.1 | 0 | 0 | 0 | 112.5 | G594 I600 | G594-L596 VanDerWaalsContact C-N 3.26Å; G594-L596 PolarHBondContact O-N 3.42Å; G594-L596 VanDerWaalsContact O-N 3.14Å; L596-I600 HydrophobicContact CD2-CD1 3.57Å; L596-I600 HydrophobicContact CD2-CG1 4.05Å; L596-I600 WeakPolarHBondContact O-CB 3.4Å; L596-I600 WeakPolarHBondContact O-CD1 3.32Å; L596-I600 VanDerWaalsContact O-CG1 3.24Å; L596-I600 WeakPolarHBondContact O-CG1 3.36Å; L596-I600 PolarHBondContact O-N 2.8Å; L596-I600 VanDerWaalsContact O-N 3.13Å |
| 597 | V | 52.9 | Low | 60.1 | Low | 101 Ų | 101 | 99.2 Ų | 99.2 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -76.4 | -36.2 | 176.2 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | A593 G594 S595 G601 | A593-V597 WeakPolarHBondContact O-CG2 3.26Å; G594-V597 WeakPolarHBondContact O-CB 3.46Å; G594-V597 PolarHBondContact O-N 3.12Å; S595-V597 VanDerWaalsContact C-N 3.31Å; S595-V597 PolarHBondContact O-N 2.85Å; V597-G601 PolarHBondContact O-N 2.91Å |
| 598 | E | 56.5 | Low | 63.1 | Low | 132 Ų | 132 | 95.6 Ų | 95.6 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.3 | -45.1 | 175.8 | -66.4 | 176.7 | 135.9 | 0 | 0 | 110.9 | G594 S595 I600 G601 E602 | G594-E598 PolarHBondContact O-N 2.92Å; S595-E598 PolarHBondContact O-N 2.99Å; E598-I600 PolarHBondContact O-N 3.23Å; E598-G601 CarbonylContact O-C 3.59Å; E598-G601 WeakPolarHBondContact O-CA 3.44Å; E598-G601 PolarHBondContact O-N 3.32Å; E598-E602 PolarHBondContact O-N 3.48Å |
| 599 | D | 69.4 | Low | 66.2 | Low | 87 Ų | 87 | 94.5 Ų | 94.5 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.7 | -48.8 | 172.2 | 173.6 | 56.8 | 0 | 0 | 0 | 112.4 | S595 G601 E602 M603 | S595-D599 PolarHBondContact O-N 2.86Å; D599-G601 PolarHBondContact O-N 2.82Å; D599-E602 PolarHBondContact O-N 3.29Å; D599-M603 WeakPolarHBondContact O-CB 2.87Å; D599-M603 PolarHBondContact O-N 3.14Å; D599-M603 WeakPolarHBondContact OD2-CE 3.15Å |
| 600 | I | 73.3 | Confident | 69 | Low | 76 Ų | 76 | 88.7 Ų | 88.7 | 39% | 0.39 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.4 | -34.6 | 174.5 | -71.4 | 169.2 | 0 | 0 | 0 | 111.5 | L596 E598 M603 I604 | L596-I600 HydrophobicContact CD2-CD1 3.57Å; L596-I600 HydrophobicContact CD2-CG1 4.05Å; L596-I600 WeakPolarHBondContact O-CB 3.4Å; L596-I600 WeakPolarHBondContact O-CD1 3.32Å; L596-I600 VanDerWaalsContact O-CG1 3.24Å; L596-I600 WeakPolarHBondContact O-CG1 3.36Å; L596-I600 PolarHBondContact O-N 2.8Å; L596-I600 VanDerWaalsContact O-N 3.13Å; E598-I600 PolarHBondContact O-N 3.23Å; I600-M603 HydrophobicContact CG1-CE 4.37Å; I600-I604 HydrophobicContact CG2-CD1 3.88Å; I600-I604 WeakPolarHBondContact O-CB 3.46Å; I600-I604 WeakPolarHBondContact O-CD1 3.24Å; I600-I604 VanDerWaalsContact O-CG1 3.23Å; I600-I604 WeakPolarHBondContact O-CG1 3.32Å; I600-I604 PolarHBondContact O-N 3.47Å |
| 601 | G | 74.9 | Confident | 71.4 | Confident | 31 Ų | 31 | 85.1 Ų | 85.1 | 32% | 0.32 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.1 | -52.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V597 E598 D599 I604 L605 | V597-G601 PolarHBondContact O-N 2.91Å; E598-G601 CarbonylContact O-C 3.59Å; E598-G601 WeakPolarHBondContact O-CA 3.44Å; E598-G601 PolarHBondContact O-N 3.32Å; D599-G601 PolarHBondContact O-N 2.82Å; G601-I604 PolarHBondContact O-N 3.44Å; G601-L605 WeakPolarHBondContact O-CG 3.37Å; G601-L605 PolarHBondContact O-N 2.75Å |
| 602 | E | 86.1 | Confident | 74.4 | Confident | 145 Ų | 145 | 80.9 Ų | 80.9 | 68% | 0.678 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 177.7 | -64.9 | -158.3 | 160.3 | 0 | 0 | 111.9 | E598 D599 I604 L605 Q606 | E598-E602 PolarHBondContact O-N 3.48Å; D599-E602 PolarHBondContact O-N 3.29Å; E602-I604 VanDerWaalsContact C-N 3.31Å; E602-I604 PolarHBondContact O-N 3.46Å; E602-L605 CarbonylContact O-C 3.22Å; E602-L605 WeakPolarHBondContact O-CB 3.28Å; E602-L605 PolarHBondContact O-N 2.63Å; E602-L605 VanDerWaalsContact O-N 3.09Å; E602-Q606 WeakPolarHBondContact O-CB 3.38Å; E602-Q606 PolarHBondContact O-N 2.79Å |
| 603 | M | 87.2 | Confident | 76.9 | Confident | 57 Ų | 57 | 78.9 Ų | 78.9 | 28% | 0.281 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -55 | -43.3 | 172.7 | -177.7 | -165 | -54.7 | 0 | 0 | 112 | D599 I600 L607 R666 | D599-M603 WeakPolarHBondContact O-CB 2.87Å; D599-M603 PolarHBondContact O-N 3.14Å; D599-M603 WeakPolarHBondContact OD2-CE 3.15Å; I600-M603 HydrophobicContact CG1-CE 4.37Å; M603-L607 HydrophobicContact CG-CD1 4.4Å; M603-L607 WeakPolarHBondContact O-CB 3.25Å; M603-L607 VanDerWaalsContact O-CG 3.24Å; M603-L607 WeakPolarHBondContact O-CG 3.47Å; M603-L607 PolarHBondContact O-N 3.37Å; M603-R666 PolarHBondContact SD-NH2 3.29Å |
| 604 | I | 88 | Confident | 79.6 | Confident | 38 Ų | 38 | 75.9 Ų | 75.9 | 20% | 0.195 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 175.4 | -74.6 | 168 | 0 | 0 | 0 | 111.6 | I600 G601 E602 R608 A662 | I600-I604 HydrophobicContact CG2-CD1 3.88Å; I600-I604 WeakPolarHBondContact O-CB 3.46Å; I600-I604 WeakPolarHBondContact O-CD1 3.24Å; I600-I604 VanDerWaalsContact O-CG1 3.23Å; I600-I604 WeakPolarHBondContact O-CG1 3.32Å; I600-I604 PolarHBondContact O-N 3.47Å; G601-I604 PolarHBondContact O-N 3.44Å; E602-I604 VanDerWaalsContact C-N 3.31Å; E602-I604 PolarHBondContact O-N 3.46Å; I604-R608 WeakPolarHBondContact O-CB 3.36Å; I604-R608 VanDerWaalsContact O-CG 3.26Å; I604-R608 WeakPolarHBondContact O-CG 3.41Å; I604-R608 PolarHBondContact O-N 3.42Å; I604-A662 HydrophobicContact CD1-CB 4.25Å; I604-A662 HydrophobicContact CG1-CB 3.84Å |
| 605 | L | 89.8 | Confident | 82.1 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 49% | 0.492 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 176.6 | -70.9 | 167.8 | 0 | 0 | 0 | 111.8 | G601 E602 R608 R609 | G601-L605 WeakPolarHBondContact O-CG 3.37Å; G601-L605 PolarHBondContact O-N 2.75Å; E602-L605 CarbonylContact O-C 3.22Å; E602-L605 WeakPolarHBondContact O-CB 3.28Å; E602-L605 PolarHBondContact O-N 2.63Å; E602-L605 VanDerWaalsContact O-N 3.09Å; L605-R608 PolarHBondContact O-N 3.47Å; L605-R609 PolarHBondContact O-N 2.7Å |
| 606 | Q | 92.3 | Very high | 84.4 | Confident | 95 Ų | 95 | 69.8 Ų | 69.8 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.7 | -44.5 | 176.7 | -175.7 | 64.8 | -14.7 | 0 | 0 | 111.8 | E602 R608 R609 Q610 | E602-Q606 WeakPolarHBondContact O-CB 3.38Å; E602-Q606 PolarHBondContact O-N 2.79Å; Q606-R608 VanDerWaalsContact C-N 3.28Å; Q606-R608 PolarHBondContact O-N 3.43Å; Q606-R609 WeakPolarHBondContact O-CB 3.43Å; Q606-R609 PolarHBondContact O-N 3.24Å; Q606-R609 VanDerWaalsContact O-N 3.16Å; Q606-Q610 WeakPolarHBondContact O-CG 3.26Å; Q606-Q610 PolarHBondContact O-N 2.79Å |
| 607 | L | 93.4 | Very high | 86.5 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.3 | -38.6 | 172.5 | -74.7 | 168.6 | 0 | 0 | 0 | 112.1 | M603 Q610 V611 A662 L665 R666 L669 | M603-L607 HydrophobicContact CG-CD1 4.4Å; M603-L607 WeakPolarHBondContact O-CB 3.25Å; M603-L607 VanDerWaalsContact O-CG 3.24Å; M603-L607 WeakPolarHBondContact O-CG 3.47Å; M603-L607 PolarHBondContact O-N 3.37Å; L607-Q610 PolarHBondContact O-N 2.86Å; L607-V611 WeakPolarHBondContact O-CG2 3.49Å; L607-V611 PolarHBondContact O-N 3.44Å; L607-V611 VanDerWaalsContact O-N 3.09Å; L607-A662 HydrophobicContact CD1-CB 4.32Å; L607-L665 HydrophobicContact CB-CB 3.96Å; L607-L665 HydrophobicContact CB-CD1 3.92Å; L607-L665 HydrophobicContact CB-CG 4.5Å; L607-R666 HydrophobicContact CD1-CG 4.05Å; L607-R666 HydrophobicContact CD2-CG 3.86Å; L607-L669 HydrophobicContact CD2-CD1 3.65Å |
| 608 | R | 95.6 | Very high | 88.5 | Confident | 65 Ų | 65 | 65.5 Ų | 65.5 | 25% | 0.245 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 174.6 | -75.7 | 169.3 | 172.8 | 166.7 | 1.2 | 112.3 | I604 L605 Q606 V611 E612 P657 N658 F660 L665 | I604-R608 WeakPolarHBondContact O-CB 3.36Å; I604-R608 VanDerWaalsContact O-CG 3.26Å; I604-R608 WeakPolarHBondContact O-CG 3.41Å; I604-R608 PolarHBondContact O-N 3.42Å; L605-R608 PolarHBondContact O-N 3.47Å; Q606-R608 VanDerWaalsContact C-N 3.28Å; Q606-R608 PolarHBondContact O-N 3.43Å; R608-V611 PolarHBondContact O-N 2.87Å; R608-E612 WeakPolarHBondContact O-CB 3.42Å; R608-E612 PolarHBondContact O-N 2.88Å; R608-P657 HydrophobicContact CB-CB 4.19Å; R608-P657 HydrophobicContact CG-CB 4.29Å; R608-N658 WeakPolarHBondContact CD-OD1 3.48Å; R608-N658 PolarHBondContact NH2-O 3.24Å; R608-F660 PolarHBondContact NE-O 3.21Å; R608-F660 PolarHBondContact NH2-O 3.37Å; R608-L665 HydrophobicContact CG-CD1 3.6Å; R608-L665 HydrophobicContact CG-CD2 4.11Å |
| 609 | R | 94.8 | Very high | 90.3 | Very high | 169 Ų | 169 | 60 Ų | 60 | 64% | 0.638 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 176.2 | -170.2 | -170.3 | -55.5 | -77.9 | -1.2 | 111.6 | L605 Q606 E612 N613 | L605-R609 PolarHBondContact O-N 2.7Å; Q606-R609 WeakPolarHBondContact O-CB 3.43Å; Q606-R609 PolarHBondContact O-N 3.24Å; Q606-R609 VanDerWaalsContact O-N 3.16Å; R609-E612 PolarHBondContact O-N 3.16Å; R609-N613 WeakPolarHBondContact O-CB 3.38Å; R609-N613 PolarHBondContact O-N 3.06Å |
| 610 | Q | 94.9 | Very high | 91.4 | Very high | 86 Ų | 86 | 56 Ų | 56 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 177.6 | -73 | 171.7 | -29.9 | 0 | 0 | 111.9 | Q606 L607 N613 L614 L669 | Q606-Q610 WeakPolarHBondContact O-CG 3.26Å; Q606-Q610 PolarHBondContact O-N 2.79Å; L607-Q610 PolarHBondContact O-N 2.86Å; Q610-N613 PolarHBondContact O-N 3.45Å; Q610-L614 WeakPolarHBondContact O-CB 3.47Å; Q610-L614 PolarHBondContact O-N 3.05Å; Q610-L669 HydrophobicContact CB-CD1 3.96Å; Q610-L669 HydrophobicContact CB-CD2 3.96Å |
| 611 | V | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.3 | -37.5 | 177.9 | -180 | 0 | 0 | 0 | 0 | 112.4 | L607 R608 N613 L614 F615 P657 L665 I668 L669 | L607-V611 WeakPolarHBondContact O-CG2 3.49Å; L607-V611 PolarHBondContact O-N 3.44Å; L607-V611 VanDerWaalsContact O-N 3.09Å; R608-V611 PolarHBondContact O-N 2.87Å; V611-N613 VanDerWaalsContact C-N 3.34Å; V611-N613 PolarHBondContact O-N 2.94Å; V611-L614 PolarHBondContact O-N 2.72Å; V611-F615 HydrophobicContact CG1-CD1 4.37Å; V611-F615 HydrophobicContact CG1-CD2 3.9Å; V611-F615 HydrophobicContact CG1-CE1 4.04Å; V611-F615 HydrophobicContact CG1-CE2 3.54Å; V611-F615 HydrophobicContact CG1-CG 4.31Å; V611-F615 HydrophobicContact CG1-CZ 3.62Å; V611-F615 WeakPolarHBondContact O-CB 3.3Å; V611-F615 WeakPolarHBondContact O-CG 3.49Å; V611-F615 PolarHBondContact O-N 3.17Å; V611-P657 HydrophobicContact CB-CB 4.28Å; V611-P657 HydrophobicContact CB-CG 4.14Å; V611-P657 HydrophobicContact CG1-CB 4.39Å; V611-P657 HydrophobicContact CG1-CG 3.95Å; V611-L665 HydrophobicContact CB-CD2 4.09Å; V611-L665 HydrophobicContact CG2-CB 4.35Å; V611-L665 HydrophobicContact CG2-CD2 3.8Å; V611-I668 HydrophobicContact CG1-CD1 4.44Å; V611-I668 HydrophobicContact CG1-CG2 3.74Å; V611-I668 HydrophobicContact CG2-CB 4.38Å; V611-I668 HydrophobicContact CG2-CG2 4.21Å; V611-L669 HydrophobicContact CG2-CD1 4.21Å; V611-L669 HydrophobicContact CG2-CD2 3.62Å; V611-L669 HydrophobicContact CG2-CG 3.64Å |
| 612 | E | 95.6 | Very high | 93 | Very high | 59 Ų | 59 | 57.6 Ų | 57.6 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 174.3 | -166.9 | 77.8 | -120.1 | 0 | 0 | 111.1 | R608 R609 S616 Y633 P657 | R608-E612 WeakPolarHBondContact O-CB 3.42Å; R608-E612 PolarHBondContact O-N 2.88Å; R609-E612 PolarHBondContact O-N 3.16Å; E612-S616 WeakPolarHBondContact O-CB 3.31Å; E612-S616 PolarHBondContact O-N 3.37Å; E612-S616 PolarHBondContact O-OG 3.46Å; E612-Y633 VanDerWaalsContact OE1-CE2 3.3Å; E612-Y633 WeakPolarHBondContact OE1-CE2 2.99Å; E612-Y633 PolarHBondContact OE1-OH 3.49Å; E612-P657 HydrophobicContact CB-CG 3.91Å; E612-P657 VanDerWaalsContact OE2-CD 3.31Å; E612-P657 WeakPolarHBondContact OE2-CD 3.46Å |
| 613 | N | 95.8 | Very high | 93.1 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 47% | 0.465 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 177.7 | -166.8 | 55.3 | 0 | 0 | 0 | 111.7 | R609 Q610 V611 F615 S616 I617 | R609-N613 WeakPolarHBondContact O-CB 3.38Å; R609-N613 PolarHBondContact O-N 3.06Å; Q610-N613 PolarHBondContact O-N 3.45Å; V611-N613 VanDerWaalsContact C-N 3.34Å; V611-N613 PolarHBondContact O-N 2.94Å; N613-F615 PolarHBondContact O-N 3.39Å; N613-S616 PolarHBondContact O-N 2.99Å; N613-I617 WeakPolarHBondContact O-CG1 3.32Å; N613-I617 PolarHBondContact O-N 2.85Å |
| 614 | L | 95.5 | Very high | 93.1 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.4 | -50.1 | 174.4 | 172.9 | 64.8 | 0 | 0 | 0 | 111.7 | Q610 V611 S616 I617 K618 L669 S672 I675 | Q610-L614 WeakPolarHBondContact O-CB 3.47Å; Q610-L614 PolarHBondContact O-N 3.05Å; V611-L614 PolarHBondContact O-N 2.72Å; L614-S616 VanDerWaalsContact C-N 3.31Å; L614-S616 PolarHBondContact O-N 3.4Å; L614-I617 PolarHBondContact O-N 2.74Å; L614-K618 HydrophobicContact CD1-CG 4.04Å; L614-K618 WeakPolarHBondContact O-CB 3.42Å; L614-K618 WeakPolarHBondContact O-CG 3.33Å; L614-K618 PolarHBondContact O-N 3.13Å; L614-L669 HydrophobicContact CD2-CD2 4.1Å; L614-S672 VanDerWaalsContact CD2-CB 3.44Å; L614-I675 HydrophobicContact CD2-CD1 4.29Å |
| 615 | F | 96 | Very high | 93 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.7 | -36.5 | 177.9 | -71 | -14.6 | 0 | 0 | 0 | 112.3 | V611 N613 Y619 V631 Y633 L648 L654 P657 I668 I675 F677 | V611-F615 HydrophobicContact CG1-CD1 4.37Å; V611-F615 HydrophobicContact CG1-CD2 3.9Å; V611-F615 HydrophobicContact CG1-CE1 4.04Å; V611-F615 HydrophobicContact CG1-CE2 3.54Å; V611-F615 HydrophobicContact CG1-CG 4.31Å; V611-F615 HydrophobicContact CG1-CZ 3.62Å; V611-F615 WeakPolarHBondContact O-CB 3.3Å; V611-F615 WeakPolarHBondContact O-CG 3.49Å; V611-F615 PolarHBondContact O-N 3.17Å; N613-F615 PolarHBondContact O-N 3.39Å; F615-Y619 WeakPolarHBondContact O-CB 3.37Å; F615-Y619 PolarHBondContact O-N 3.36Å; F615-V631 HydrophobicContact CB-CG2 4Å; F615-V631 VanDerWaalsContact O-CG2 3.31Å; F615-V631 WeakPolarHBondContact O-CG2 3.43Å; F615-Y633 HydrophobicContact CD2-CE1 4.01Å; F615-L648 HydrophobicContact CE1-CD2 3.94Å; F615-L648 HydrophobicContact CZ-CD2 3.93Å; F615-L654 HydrophobicContact CD2-CD1 4.31Å; F615-L654 HydrophobicContact CE2-CD1 4.03Å; F615-L654 HydrophobicContact CZ-CD1 4.18Å; F615-P657 HydrophobicContact CD2-CG 4.36Å; F615-I668 HydrophobicContact CE1-CG2 3.76Å; F615-I668 HydrophobicContact CZ-CG2 3.79Å; F615-I675 HydrophobicContact CD1-CG2 4.39Å; F615-I675 HydrophobicContact CE1-CD1 4.27Å; F615-I675 HydrophobicContact CE1-CG2 4.25Å; F615-F677 HydrophobicContact CB-CE2 4.38Å; F615-F677 HydrophobicContact CB-CZ 4.08Å; F615-F677 HydrophobicContact CD1-CE2 4.29Å; F615-F677 HydrophobicContact CD1-CZ 4.39Å; F615-F677 HydrophobicContact CG-CZ 4.31Å |
| 616 | S | 94.5 | Very high | 92.6 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 177.9 | -55.9 | 0 | 0 | 0 | 0 | 112.5 | E612 N613 L614 A620 A629 | E612-S616 WeakPolarHBondContact O-CB 3.31Å; E612-S616 PolarHBondContact O-N 3.37Å; E612-S616 PolarHBondContact O-OG 3.46Å; N613-S616 PolarHBondContact O-N 2.99Å; L614-S616 VanDerWaalsContact C-N 3.31Å; L614-S616 PolarHBondContact O-N 3.4Å; S616-A620 WeakPolarHBondContact O-CB 3.42Å; S616-A620 PolarHBondContact O-N 3.28Å; S616-A629 WeakPolarHBondContact CA-O 3.36Å; S616-A629 VanDerWaalsContact CB-O 3.27Å; S616-A629 WeakPolarHBondContact CB-O 3.31Å; S616-A629 PolarHBondContact O-N 3.44Å |
| 617 | I | 94.7 | Very high | 92.2 | Very high | 63 Ų | 63 | 61.2 Ų | 61.2 | 32% | 0.323 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.7 | -51.8 | 171.9 | -67.5 | 163.2 | 0 | 0 | 0 | 110.2 | N613 L614 Y619 A620 E621 P628 | N613-I617 WeakPolarHBondContact O-CG1 3.32Å; N613-I617 PolarHBondContact O-N 2.85Å; L614-I617 PolarHBondContact O-N 2.74Å; I617-Y619 PolarHBondContact O-N 2.95Å; I617-A620 WeakPolarHBondContact O-CB 3.08Å; I617-A620 PolarHBondContact O-N 3.27Å; I617-E621 HydrophobicContact CG2-CG 4.48Å; I617-E621 WeakPolarHBondContact O-CG 3.47Å; I617-E621 PolarHBondContact O-N 3.03Å; I617-P628 HydrophobicContact CG1-CB 4.07Å; I617-P628 HydrophobicContact CG1-CG 3.9Å |
| 618 | K | 94.2 | Very high | 92 | Very high | 40 Ų | 40 | 64.3 Ų | 64.3 | 17% | 0.174 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.3 | -23.9 | -178.9 | -67.9 | -49.3 | -165.6 | -169.7 | 0 | 114.2 | L614 E621 A622 I675 F677 | L614-K618 HydrophobicContact CD1-CG 4.04Å; L614-K618 WeakPolarHBondContact O-CB 3.42Å; L614-K618 WeakPolarHBondContact O-CG 3.33Å; L614-K618 PolarHBondContact O-N 3.13Å; K618-E621 VanDerWaalsContact CD-CD 3.48Å; K618-E621 WeakPolarHBondContact CD-OE1 3.43Å; K618-E621 WeakPolarHBondContact CD-OE2 3.3Å; K618-E621 IonicContact NZ-OE1 3.44Å; K618-E621 PolarHBondContact NZ-OE1 3.09Å; K618-E621 IonicContact NZ-OE2 3.83Å; K618-E621 PolarHBondContact NZ-OE2 2.99Å; K618-A622 PolarHBondContact O-N 3.5Å; K618-I675 WeakPolarHBondContact CG-O 3.47Å; K618-F677 HydrophobicContact CB-CD2 3.65Å; K618-F677 HydrophobicContact CB-CE2 3.84Å |
| 619 | Y | 94.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 62 Ų | 62 | 6% | 0.059 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -80.5 | -34.7 | 170.2 | 177.4 | -112.7 | 0 | 0 | 0 | 112.9 | F615 I617 A622 L623 A629 V631 P632 F636 F677 I679 L685 | F615-Y619 WeakPolarHBondContact O-CB 3.37Å; F615-Y619 PolarHBondContact O-N 3.36Å; I617-Y619 PolarHBondContact O-N 2.95Å; Y619-A622 PolarHBondContact O-N 3Å; Y619-L623 HydrophobicContact CD1-CD1 4.18Å; Y619-L623 HydrophobicContact CE1-CD1 3.58Å; Y619-L623 HydrophobicContact CE2-CD1 4.08Å; Y619-L623 HydrophobicContact CE2-CG 4.29Å; Y619-L623 WeakPolarHBondContact O-CG 3.46Å; Y619-L623 PolarHBondContact O-N 3.27Å; Y619-L623 VanDerWaalsContact O-N 3.17Å; Y619-A629 HydrophobicContact CD1-CB 3.73Å; Y619-A629 WeakPolarHBondContact CD1-O 3.08Å; Y619-A629 HydrophobicContact CE1-CB 4Å; Y619-V631 HydrophobicContact CD1-CG2 4.2Å; Y619-V631 HydrophobicContact CG-CG2 4.06Å; Y619-P632 VanDerWaalsContact CE1-CD 3.47Å; Y619-P632 HydrophobicContact CE1-CG 4.41Å; Y619-P632 HydrophobicContact CE2-CG 4.28Å; Y619-P632 VanDerWaalsContact OH-CD 3.32Å; Y619-P632 WeakPolarHBondContact OH-CD 3.22Å; Y619-P632 WeakPolarHBondContact OH-CG 3.38Å; Y619-F636 AromaticContact CD2-CE2 3.96Å; Y619-F636 HydrophobicContact CD2-CE2 3.96Å; Y619-F636 AromaticContact CD2-CZ 3.86Å; Y619-F636 HydrophobicContact CD2-CZ 3.86Å; Y619-F636 AromaticContact CE2-CE2 3.58Å; Y619-F636 HydrophobicContact CE2-CE2 3.58Å; Y619-F636 AromaticContact CE2-CZ 3.75Å; Y619-F636 HydrophobicContact CE2-CZ 3.75Å; Y619-F677 AromaticContact CD2-CD1 3.86Å; Y619-F677 HydrophobicContact CD2-CD1 3.86Å; Y619-F677 HydrophobicContact CD2-CE1 4.37Å; Y619-F677 HydrophobicContact CD2-CG 4.48Å; Y619-F677 HydrophobicContact CG-CD1 4.37Å; Y619-I679 HydrophobicContact CD2-CD1 4.24Å; Y619-I679 HydrophobicContact CE2-CD1 3.9Å; Y619-L685 HydrophobicContact CE2-CD1 4.17Å |
| 620 | A | 91.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.033 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | S616 I617 A622 L623 G624 L625 E627 A629 | S616-A620 WeakPolarHBondContact O-CB 3.42Å; S616-A620 PolarHBondContact O-N 3.28Å; I617-A620 WeakPolarHBondContact O-CB 3.08Å; I617-A620 PolarHBondContact O-N 3.27Å; A620-A622 VanDerWaalsContact C-N 3.27Å; A620-A622 PolarHBondContact O-N 3.02Å; A620-L623 CarbonylContact O-C 3.16Å; A620-L623 WeakPolarHBondContact O-CA 3.38Å; A620-L623 PolarHBondContact O-N 3.03Å; A620-G624 PolarHBondContact O-N 3.4Å; A620-L625 HydrophobicContact CB-CB 4.2Å; A620-L625 PolarHBondContact O-N 3.46Å; A620-E627 WeakPolarHBondContact CB-O 3.03Å; A620-A629 HydrophobicContact CB-CB 3.98Å |
| 621 | E | 92.1 | Very high | 91.6 | Very high | 104 Ų | 104 | 59 Ų | 59 | 49% | 0.486 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -52.4 | -46.1 | 172.9 | -73 | 176.2 | -157.2 | 0 | 0 | 111.2 | I617 K618 L623 G624 | I617-E621 HydrophobicContact CG2-CG 4.48Å; I617-E621 WeakPolarHBondContact O-CG 3.47Å; I617-E621 PolarHBondContact O-N 3.03Å; K618-E621 VanDerWaalsContact CD-CD 3.48Å; K618-E621 WeakPolarHBondContact CD-OE1 3.43Å; K618-E621 WeakPolarHBondContact CD-OE2 3.3Å; K618-E621 IonicContact NZ-OE1 3.44Å; K618-E621 PolarHBondContact NZ-OE1 3.09Å; K618-E621 IonicContact NZ-OE2 3.83Å; K618-E621 PolarHBondContact NZ-OE2 2.99Å; E621-L623 VanDerWaalsContact C-N 3.26Å; E621-L623 PolarHBondContact O-N 2.99Å; E621-G624 PolarHBondContact O-N 2.9Å; E621-G624 VanDerWaalsContact O-N 3.16Å |
| 622 | A | 90.6 | Very high | 91.4 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71.3 | -14.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K618 Y619 A620 F677 I679 | K618-A622 PolarHBondContact O-N 3.5Å; Y619-A622 PolarHBondContact O-N 3Å; A620-A622 VanDerWaalsContact C-N 3.27Å; A620-A622 PolarHBondContact O-N 3.02Å; A622-F677 HydrophobicContact CB-CB 3.6Å; A622-F677 VanDerWaalsContact CB-O 3.26Å; A622-F677 WeakPolarHBondContact CB-O 3.26Å; A622-I679 HydrophobicContact CB-CD1 4.05Å |
| 623 | L | 87.8 | Confident | 91.2 | Very high | 65 Ų | 65 | 58.9 Ų | 58.9 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -99.1 | -5.5 | 171.4 | -72.8 | 176.9 | 0 | 0 | 0 | 113.2 | Y619 A620 E621 L625 A629 I679 L685 | Y619-L623 HydrophobicContact CD1-CD1 4.18Å; Y619-L623 HydrophobicContact CE1-CD1 3.58Å; Y619-L623 HydrophobicContact CE2-CD1 4.08Å; Y619-L623 HydrophobicContact CE2-CG 4.29Å; Y619-L623 WeakPolarHBondContact O-CG 3.46Å; Y619-L623 PolarHBondContact O-N 3.27Å; Y619-L623 VanDerWaalsContact O-N 3.17Å; A620-L623 CarbonylContact O-C 3.16Å; A620-L623 WeakPolarHBondContact O-CA 3.38Å; A620-L623 PolarHBondContact O-N 3.03Å; E621-L623 VanDerWaalsContact C-N 3.26Å; E621-L623 PolarHBondContact O-N 2.99Å; L623-L625 VanDerWaalsContact C-N 3.26Å; L623-L625 HydrophobicContact CB-CD1 3.97Å; L623-L625 HydrophobicContact CB-CG 3.88Å; L623-L625 HydrophobicContact CD1-CD1 3.78Å; L623-L625 PolarHBondContact O-N 2.94Å; L623-A629 HydrophobicContact CD1-CB 4.44Å; L623-I679 HydrophobicContact CD2-CD1 3.62Å; L623-I679 HydrophobicContact CG-CD1 3.95Å; L623-L685 HydrophobicContact CD2-CD1 4.16Å |
| 624 | G | 87.2 | Confident | 90.9 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 71% | 0.711 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 20.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A620 E621 | A620-G624 PolarHBondContact O-N 3.4Å; E621-G624 PolarHBondContact O-N 2.9Å; E621-G624 VanDerWaalsContact O-N 3.16Å |
| 625 | L | 86.6 | Confident | 90.5 | Very high | 88 Ų | 88 | 60 Ų | 60 | 46% | 0.461 | 34% | 0.34 | S | S | . | . | trans | -88.9 | 140 | -179.3 | -66.8 | 175.5 | 0 | 0 | 0 | 111.6 | A620 L623 A629 | A620-L625 HydrophobicContact CB-CB 4.2Å; A620-L625 PolarHBondContact O-N 3.46Å; L623-L625 VanDerWaalsContact C-N 3.26Å; L623-L625 HydrophobicContact CB-CD1 3.97Å; L623-L625 HydrophobicContact CB-CG 3.88Å; L623-L625 HydrophobicContact CD1-CD1 3.78Å; L623-L625 PolarHBondContact O-N 2.94Å; L625-A629 HydrophobicContact CD1-CB 4.04Å | ||
| 626 | P | 80.6 | Confident | 90.3 | Very high | 130 Ų | 130 | 60.4 Ų | 60.4 | 84% | 0.844 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -78.1 | -20 | -179.8 | 31.7 | -35.8 | 0 | 0 | 0 | 113.8 | ||
| 627 | E | 84.2 | Confident | 90 | Very high | 154 Ų | 154 | 65 Ų | 65 | 72% | 0.72 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -108.5 | 146.1 | -179.4 | -65.8 | -163.3 | 162.9 | 0 | 0 | 112.5 | A620 A629 | A620-E627 WeakPolarHBondContact CB-O 3.03Å; E627-A629 PolarHBondContact O-N 3.36Å; E627-A629 VanDerWaalsContact O-N 3.1Å |
| 628 | P | 88.8 | Confident | 89.6 | Confident | 79 Ų | 79 | 67.1 Ų | 67.1 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | trans | -57.9 | 113.5 | -180 | -24.5 | 34.3 | 0 | 0 | 0 | 113.2 | I617 | I617-P628 HydrophobicContact CG1-CB 4.07Å; I617-P628 HydrophobicContact CG1-CG 3.9Å | ||
| 629 | A | 90.4 | Very high | 89.2 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 13% | 0.132 | 38% | 0.38 | C | S | . | . | trans | -93.8 | 138.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S616 Y619 A620 L623 L625 E627 V631 | S616-A629 WeakPolarHBondContact CA-O 3.36Å; S616-A629 VanDerWaalsContact CB-O 3.27Å; S616-A629 WeakPolarHBondContact CB-O 3.31Å; S616-A629 PolarHBondContact O-N 3.44Å; Y619-A629 HydrophobicContact CD1-CB 3.73Å; Y619-A629 WeakPolarHBondContact CD1-O 3.08Å; Y619-A629 HydrophobicContact CE1-CB 4Å; A620-A629 HydrophobicContact CB-CB 3.98Å; L623-A629 HydrophobicContact CD1-CB 4.44Å; L625-A629 HydrophobicContact CD1-CB 4.04Å; E627-A629 PolarHBondContact O-N 3.36Å; E627-A629 VanDerWaalsContact O-N 3.1Å; A629-V631 PolarHBondContact O-N 3.44Å | ||
| 630 | K | 92.6 | Very high | 88.8 | Confident | 185 Ų | 185 | 72.2 Ų | 72.2 | 80% | 0.804 | 40% | 0.399 | S | S | * | . | trans | -73.3 | 112.2 | -175.2 | -172.9 | 174.5 | -173.4 | 169.4 | 0 | 111.9 | P632 | K630-P632 WeakPolarHBondContact O-CD 3.3Š| ||
| 631 | V | 94.3 | Very high | 88.5 | Confident | 6 Ų | 6 | 78.5 Ų | 78.5 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | trans | -60.1 | 122.3 | -174.8 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | F615 Y619 A629 Y633 F677 | F615-V631 HydrophobicContact CB-CG2 4Å; F615-V631 VanDerWaalsContact O-CG2 3.31Å; F615-V631 WeakPolarHBondContact O-CG2 3.43Å; Y619-V631 HydrophobicContact CD1-CG2 4.2Å; Y619-V631 HydrophobicContact CG-CG2 4.06Å; A629-V631 PolarHBondContact O-N 3.44Å; V631-Y633 HydrophobicContact CB-CD2 4.18Å; V631-Y633 HydrophobicContact CB-CE1 4.27Å; V631-Y633 HydrophobicContact CB-CE2 3.85Å; V631-Y633 HydrophobicContact CG1-CD1 4.13Å; V631-Y633 HydrophobicContact CG1-CD2 4.4Å; V631-Y633 HydrophobicContact CG1-CE1 4.14Å; V631-Y633 HydrophobicContact CG1-CE2 4.42Å; V631-Y633 HydrophobicContact CG1-CG 4.26Å; V631-Y633 WeakPolarHBondContact O-CD2 3.36Å; V631-Y633 WeakPolarHBondContact O-CE2 3.3Å; V631-Y633 PolarHBondContact O-N 2.95Å; V631-F677 HydrophobicContact CG1-CE1 3.62Å; V631-F677 HydrophobicContact CG1-CZ 4.15Å; V631-F677 HydrophobicContact CG2-CE1 4.34Å; V631-F677 HydrophobicContact CG2-CZ 4.25Å | ||
| 632 | P | 91.8 | Very high | 88.3 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | trans | -82.9 | 67 | 176 | 34.2 | -34.4 | 0 | 0 | 0 | 110.1 | Y619 K630 S634 K635 F636 L685 | Y619-P632 VanDerWaalsContact CE1-CD 3.47Å; Y619-P632 HydrophobicContact CE1-CG 4.41Å; Y619-P632 HydrophobicContact CE2-CG 4.28Å; Y619-P632 VanDerWaalsContact OH-CD 3.32Å; Y619-P632 WeakPolarHBondContact OH-CD 3.22Å; Y619-P632 WeakPolarHBondContact OH-CG 3.38Å; K630-P632 WeakPolarHBondContact O-CD 3.3Å; P632-S634 PolarHBondContact O-N 3.45Å; P632-K635 HydrophobicContact CB-CB 4.44Å; P632-K635 HydrophobicContact CB-CG 4.27Å; P632-K635 PolarHBondContact O-N 3.41Å; P632-F636 HydrophobicContact CG-CD2 4.27Å; P632-F636 HydrophobicContact CG-CE2 4.08Å; P632-L685 HydrophobicContact CG-CD2 3.83Å | ||
| 633 | Y | 91.8 | Very high | 88.3 | Confident | 23 Ų | 23 | 73.1 Ų | 73.1 | 9% | 0.09 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -45 | -30 | -176.3 | -63.1 | -85.9 | 0 | 0 | 0 | 115 | E612 F615 V631 Q637 L654 R655 R656 P657 | E612-Y633 VanDerWaalsContact OE1-CE2 3.3Å; E612-Y633 WeakPolarHBondContact OE1-CE2 2.99Å; E612-Y633 PolarHBondContact OE1-OH 3.49Å; F615-Y633 HydrophobicContact CD2-CE1 4.01Å; V631-Y633 HydrophobicContact CB-CD2 4.18Å; V631-Y633 HydrophobicContact CB-CE1 4.27Å; V631-Y633 HydrophobicContact CB-CE2 3.85Å; V631-Y633 HydrophobicContact CG1-CD1 4.13Å; V631-Y633 HydrophobicContact CG1-CD2 4.4Å; V631-Y633 HydrophobicContact CG1-CE1 4.14Å; V631-Y633 HydrophobicContact CG1-CE2 4.42Å; V631-Y633 HydrophobicContact CG1-CG 4.26Å; V631-Y633 WeakPolarHBondContact O-CD2 3.36Å; V631-Y633 WeakPolarHBondContact O-CE2 3.3Å; V631-Y633 PolarHBondContact O-N 2.95Å; Y633-Q637 WeakPolarHBondContact O-CB 3.19Å; Y633-Q637 PolarHBondContact O-N 2.97Å; Y633-Q637 VanDerWaalsContact O-N 3.09Å; Y633-L654 HydrophobicContact CD1-CD2 4.48Å; Y633-L654 HydrophobicContact CD1-CG 4.25Å; Y633-L654 HydrophobicContact CE1-CD1 4.4Å; Y633-R655 WeakPolarHBondContact CE1-O 3.35Å; Y633-R656 HydrophobicContact CD1-CG 4.26Å; Y633-R656 HydrophobicContact CD2-CG 3.62Å; Y633-R656 HydrophobicContact CE1-CG 4.48Å; Y633-R656 HydrophobicContact CE2-CG 3.87Å; Y633-R656 HydrophobicContact CG-CG 3.83Å; Y633-P657 WeakPolarHBondContact OH-CD 3.13Å |
| 634 | S | 87.9 | Confident | 88.4 | Confident | 78 Ų | 78 | 73.4 Ų | 73.4 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.4 | -29.1 | 178.4 | -161.1 | 0 | 0 | 0 | 0 | 114 | P632 M638 | P632-S634 PolarHBondContact O-N 3.45Å; S634-M638 WeakPolarHBondContact O-CB 3.37Å; S634-M638 VanDerWaalsContact O-CG 3.22Å; S634-M638 WeakPolarHBondContact O-CG 3.12Å; S634-M638 PolarHBondContact O-N 3.17Å |
| 635 | K | 88.4 | Confident | 88.7 | Confident | 56 Ų | 56 | 71.2 Ų | 71.2 | 24% | 0.243 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73 | -46.9 | 175.9 | -65.7 | -97.5 | -167.7 | 160.1 | 0 | 109.4 | P632 Q637 M638 Y639 L643 L684 L685 E687 | P632-K635 HydrophobicContact CB-CB 4.44Å; P632-K635 HydrophobicContact CB-CG 4.27Å; P632-K635 PolarHBondContact O-N 3.41Å; K635-Q637 VanDerWaalsContact C-N 3.27Å; K635-Q637 PolarHBondContact O-N 3.33Å; K635-M638 PolarHBondContact O-N 2.98Å; K635-Y639 HydrophobicContact CD-CE2 4.47Å; K635-Y639 WeakPolarHBondContact O-CD2 3.25Å; K635-Y639 PolarHBondContact O-N 3.41Å; K635-L643 HydrophobicContact CB-CD1 3.83Å; K635-L684 VanDerWaalsContact CD-O 3.31Å; K635-L684 WeakPolarHBondContact CD-O 3.47Å; K635-L684 WeakPolarHBondContact CE-O 3.33Å; K635-L684 PolarHBondContact NZ-O 2.96Å; K635-L685 HydrophobicContact CB-CD2 4.17Å; K635-L685 HydrophobicContact CG-CD2 4.41Å; K635-E687 IonicContact NZ-OE2 2.68Å; K635-E687 PolarHBondContact NZ-OE2 3.38Å |
| 636 | F | 91.2 | Very high | 89 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 4% | 0.039 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.1 | -37.5 | 171.6 | -75.6 | -98 | 0 | 0 | 0 | 113.1 | Y619 P632 M638 L643 V645 L654 F677 I679 | Y619-F636 AromaticContact CD2-CE2 3.96Å; Y619-F636 HydrophobicContact CD2-CE2 3.96Å; Y619-F636 AromaticContact CD2-CZ 3.86Å; Y619-F636 HydrophobicContact CD2-CZ 3.86Å; Y619-F636 AromaticContact CE2-CE2 3.58Å; Y619-F636 HydrophobicContact CE2-CE2 3.58Å; Y619-F636 AromaticContact CE2-CZ 3.75Å; Y619-F636 HydrophobicContact CE2-CZ 3.75Å; P632-F636 HydrophobicContact CG-CD2 4.27Å; P632-F636 HydrophobicContact CG-CE2 4.08Å; F636-M638 VanDerWaalsContact C-N 3.33Å; F636-M638 PolarHBondContact O-N 3.16Å; F636-L643 HydrophobicContact CB-CB 4.49Å; F636-L643 HydrophobicContact CD1-CB 3.76Å; F636-L643 WeakPolarHBondContact CD1-O 3.44Å; F636-L643 HydrophobicContact CD2-CB 4.39Å; F636-L643 HydrophobicContact CE1-CB 3.89Å; F636-L643 HydrophobicContact CG-CB 3.99Å; F636-L643 HydrophobicContact CZ-CB 4.26Å; F636-L643 HydrophobicContact CZ-CD2 4.49Å; F636-V645 HydrophobicContact CD1-CG2 4.27Å; F636-V645 HydrophobicContact CE1-CG2 4.34Å; F636-L654 HydrophobicContact CB-CD2 3.72Å; F636-L654 HydrophobicContact CD1-CD2 4.01Å; F636-L654 HydrophobicContact CG-CD2 3.9Å; F636-F677 HydrophobicContact CD1-CD1 4.35Å; F636-F677 AromaticContact CE1-CD1 3.64Å; F636-F677 HydrophobicContact CE1-CD1 3.64Å; F636-F677 HydrophobicContact CE1-CE1 4.27Å; F636-F677 HydrophobicContact CE2-CD1 4.4Å; F636-F677 AromaticContact CZ-CD1 3.68Å; F636-F677 HydrophobicContact CZ-CD1 3.68Å; F636-F677 HydrophobicContact CZ-CE1 4.32Å; F636-I679 HydrophobicContact CZ-CG1 4.21Å |
| 637 | Q | 88.1 | Confident | 89.4 | Confident | 109 Ų | 109 | 65 Ų | 65 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -4.4 | 178.2 | -151.4 | -128 | -78 | 0 | 0 | 114.8 | Y633 K635 | Y633-Q637 WeakPolarHBondContact O-CB 3.19Å; Y633-Q637 PolarHBondContact O-N 2.97Å; Y633-Q637 VanDerWaalsContact O-N 3.09Å; K635-Q637 VanDerWaalsContact C-N 3.27Å; K635-Q637 PolarHBondContact O-N 3.33Å |
| 638 | M | 86.3 | Confident | 89.8 | Confident | 109 Ų | 109 | 59.1 Ų | 59.1 | 54% | 0.537 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -29.2 | 173.6 | -74.4 | -175 | -44.5 | 0 | 0 | 112.7 | S634 K635 F636 P640 | S634-M638 WeakPolarHBondContact O-CB 3.37Å; S634-M638 VanDerWaalsContact O-CG 3.22Å; S634-M638 WeakPolarHBondContact O-CG 3.12Å; S634-M638 PolarHBondContact O-N 3.17Å; K635-M638 PolarHBondContact O-N 2.98Å; F636-M638 VanDerWaalsContact C-N 3.33Å; F636-M638 PolarHBondContact O-N 3.16Å; M638-P640 VanDerWaalsContact C-CD 3.4Å; M638-P640 WeakPolarHBondContact O-CD 3.25Å |
| 639 | Y | 86.4 | Confident | 89.9 | Confident | 91 Ų | 91 | 56.3 Ų | 56.3 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | trans | -123.8 | 59.3 | -176.8 | -56.3 | -70.2 | 0 | 0 | 0 | 111.7 | K635 E641 D642 L643 L684 | K635-Y639 HydrophobicContact CD-CE2 4.47Å; K635-Y639 WeakPolarHBondContact O-CD2 3.25Å; K635-Y639 PolarHBondContact O-N 3.41Å; Y639-E641 PolarHBondContact O-N 3.04Å; Y639-D642 PolarHBondContact O-N 2.94Å; Y639-L643 HydrophobicContact CD2-CD1 4.36Å; Y639-L643 PolarHBondContact O-N 3.32Å; Y639-L684 HydrophobicContact CD1-CD1 4.39Å; Y639-L684 HydrophobicContact CD2-CD1 4.05Å; Y639-L684 HydrophobicContact CE2-CD2 4.31Å; Y639-L684 HydrophobicContact CG-CD1 3.92Å | ||
| 640 | P | 85.5 | Confident | 89.5 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 46% | 0.461 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.7 | -173.7 | 27.9 | -36.4 | 0 | 0 | 0 | 113.7 | M638 D642 Y644 | M638-P640 VanDerWaalsContact C-CD 3.4Å; M638-P640 WeakPolarHBondContact O-CD 3.25Å; P640-D642 VanDerWaalsContact C-N 3.34Å; P640-Y644 WeakPolarHBondContact O-CB 3.44Å |
| 641 | E | 85.5 | Confident | 88.9 | Confident | 136 Ų | 136 | 59.4 Ų | 59.4 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -26 | 176.3 | -53.2 | -47.6 | 130.7 | 0 | 0 | 112.6 | Y639 K680 | Y639-E641 PolarHBondContact O-N 3.04Å; E641-K680 WeakPolarHBondContact O-CD 3.42Å; E641-K680 PolarHBondContact O-NZ 3.45Å |
| 642 | D | 87.4 | Confident | 88.6 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -33.2 | -172.5 | -57.1 | -68.7 | 0 | 0 | 0 | 113.4 | Y639 P640 K680 R681 L684 | Y639-D642 PolarHBondContact O-N 2.94Å; P640-D642 VanDerWaalsContact C-N 3.34Å; D642-K680 PolarHBondContact O-N 2.86Å; D642-R681 HydrophobicContact CB-CB 4.36Å; D642-R681 VanDerWaalsContact CG-NE 3.3Å; D642-R681 IonicContact OD1-CZ 2.58Å; D642-R681 VanDerWaalsContact OD1-CZ 3.3Å; D642-R681 IonicContact OD1-NE 3.98Å; D642-R681 PolarHBondContact OD1-NE 2.73Å; D642-R681 IonicContact OD1-NH2 3.27Å; D642-R681 PolarHBondContact OD1-NH2 3.12Å; D642-R681 IonicContact OD2-CZ 3.91Å; D642-R681 IonicContact OD2-NE 3.94Å; D642-R681 IonicContact OD2-NH2 3.02Å; D642-R681 PolarHBondContact OD2-NH2 3.3Å; D642-L684 HydrophobicContact CB-CD1 3.82Å |
| 643 | L | 90.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 92.4 | -171.7 | -61.5 | 179.7 | 0 | 0 | 0 | 108.2 | K635 F636 Y639 F678 I679 L684 L685 | K635-L643 HydrophobicContact CB-CD1 3.83Å; F636-L643 HydrophobicContact CB-CB 4.49Å; F636-L643 HydrophobicContact CD1-CB 3.76Å; F636-L643 WeakPolarHBondContact CD1-O 3.44Å; F636-L643 HydrophobicContact CD2-CB 4.39Å; F636-L643 HydrophobicContact CE1-CB 3.89Å; F636-L643 HydrophobicContact CG-CB 3.99Å; F636-L643 HydrophobicContact CZ-CB 4.26Å; F636-L643 HydrophobicContact CZ-CD2 4.49Å; Y639-L643 HydrophobicContact CD2-CD1 4.36Å; Y639-L643 PolarHBondContact O-N 3.32Å; L643-F678 WeakPolarHBondContact CA-O 3.49Å; L643-I679 HydrophobicContact CD2-CB 4.25Å; L643-I679 HydrophobicContact CD2-CG1 4.23Å; L643-I679 HydrophobicContact CD2-CG2 3.81Å; L643-L684 HydrophobicContact CD1-CB 4.1Å; L643-L684 HydrophobicContact CD1-CD1 4.1Å; L643-L684 HydrophobicContact CG-CD1 4.16Å; L643-L685 HydrophobicContact CD1-CD2 3.9Å; L643-L685 HydrophobicContact CD1-CG 4.46Å; L643-L685 HydrophobicContact CD2-CD1 4.05Å; L643-L685 HydrophobicContact CD2-CD2 4.44Å; L643-L685 HydrophobicContact CD2-CG 4.27Å |
| 644 | Y | 90.6 | Very high | 88.5 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 28% | 0.282 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 174.3 | -176.5 | 57.8 | -81.4 | 0 | 0 | 0 | 112.6 | P640 T646 F678 K680 | P640-Y644 WeakPolarHBondContact O-CB 3.44Å; Y644-T646 HydrophobicContact CD2-CG2 4.02Å; Y644-T646 HydrophobicContact CE2-CG2 3.97Å; Y644-F678 HydrophobicContact CD1-CB 4.27Å; Y644-F678 HydrophobicContact CD2-CB 3.98Å; Y644-F678 HydrophobicContact CD2-CD2 4.45Å; Y644-F678 HydrophobicContact CD2-CG 4.48Å; Y644-F678 HydrophobicContact CE1-CB 3.88Å; Y644-F678 HydrophobicContact CE2-CB 3.59Å; Y644-F678 AromaticContact CE2-CD2 4Å; Y644-F678 HydrophobicContact CE2-CD2 4Å; Y644-F678 AromaticContact CE2-CG 3.82Å; Y644-F678 HydrophobicContact CE2-CG 3.82Å; Y644-F678 HydrophobicContact CG-CB 4.3Å; Y644-F678 PolarHBondContact N-O 2.99Å; Y644-F678 VanDerWaalsContact N-O 3.14Å; Y644-F678 PolarHBondContact O-N 3.19Å; Y644-K680 HydrophobicContact CE1-CD 4.18Å; Y644-K680 HydrophobicContact CE1-CG 4.27Å; Y644-K680 WeakPolarHBondContact OH-CE 3.32Å |
| 645 | V | 93.9 | Very high | 88.6 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 126.3 | -179.1 | 180 | 0 | 0 | 0 | 0 | 108.5 | F636 L648 L654 I675 Q676 F677 | F636-V645 HydrophobicContact CD1-CG2 4.27Å; F636-V645 HydrophobicContact CE1-CG2 4.34Å; V645-L648 HydrophobicContact CB-CD1 4.05Å; V645-L648 HydrophobicContact CG1-CD1 3.84Å; V645-L648 HydrophobicContact CG1-CG 3.92Å; V645-L654 HydrophobicContact CG2-CD1 4.09Å; V645-L654 HydrophobicContact CG2-CD2 3.77Å; V645-L654 HydrophobicContact CG2-CG 4.37Å; V645-I675 HydrophobicContact CG1-CG2 3.79Å; V645-Q676 VanDerWaalsContact CA-O 3.3Å; V645-Q676 WeakPolarHBondContact CA-O 3.2Å; V645-Q676 WeakPolarHBondContact CG1-O 3.23Å; V645-F677 HydrophobicContact CG1-CD2 4.26Å; V645-F677 HydrophobicContact CG1-CE2 4.21Å; V645-F677 HydrophobicContact CG2-CB 4.42Å; V645-F677 HydrophobicContact CG2-CD1 3.4Å; V645-F677 HydrophobicContact CG2-CD2 3.96Å; V645-F677 HydrophobicContact CG2-CE1 3.44Å; V645-F677 VanDerWaalsContact CG2-CE1 3.44Å; V645-F677 HydrophobicContact CG2-CE2 4Å; V645-F677 HydrophobicContact CG2-CG 3.66Å; V645-F677 HydrophobicContact CG2-CZ 3.75Å |
| 646 | T | 91.8 | Very high | 88.8 | Confident | 58 Ų | 58 | 67.6 Ų | 67.6 | 36% | 0.356 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 169 | 175.1 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | Y644 L648 I675 Q676 F678 | Y644-T646 HydrophobicContact CD2-CG2 4.02Å; Y644-T646 HydrophobicContact CE2-CG2 3.97Å; T646-L648 PolarHBondContact O-N 2.95Å; T646-I675 WeakPolarHBondContact O-CA 3.42Å; T646-Q676 PolarHBondContact N-O 2.72Å; T646-Q676 PolarHBondContact O-N 2.73Å; T646-F678 HydrophobicContact CG2-CD2 4.06Å; T646-F678 HydrophobicContact CG2-CE2 4.08Å; T646-F678 WeakPolarHBondContact OG1-CE2 3.21Å |
| 647 | G | 89.8 | Confident | 88.7 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 70.1 | 8.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V671 Q674 I675 | G647-V671 VanDerWaalsContact O-CG2 3.24Å; G647-V671 WeakPolarHBondContact O-CG2 3.42Å; G647-Q674 WeakPolarHBondContact CA-O 3.24Å; G647-I675 VanDerWaalsContact O-CG1 3.32Å; G647-I675 WeakPolarHBondContact O-CG1 3.45Å |
| 648 | L | 92.4 | Very high | 88.8 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 146.1 | 166 | -74.2 | 168.6 | 0 | 0 | 0 | 110 | F615 V645 T646 L654 I668 I675 | F615-L648 HydrophobicContact CE1-CD2 3.94Å; F615-L648 HydrophobicContact CZ-CD2 3.93Å; V645-L648 HydrophobicContact CB-CD1 4.05Å; V645-L648 HydrophobicContact CG1-CD1 3.84Å; V645-L648 HydrophobicContact CG1-CG 3.92Å; T646-L648 PolarHBondContact O-N 2.95Å; L648-L654 HydrophobicContact CD1-CB 4.06Å; L648-L654 HydrophobicContact CD1-CD1 4.38Å; L648-I668 HydrophobicContact CD2-CG2 4.44Å; L648-I675 HydrophobicContact CD2-CD1 3.93Å; L648-I675 HydrophobicContact CD2-CG1 4.24Å |
| 649 | P | 90.4 | Very high | 88.8 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 13% | 0.13 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 151.2 | 178.5 | -20.5 | 30.9 | 0 | 0 | 0 | 112.7 | G651 I652 K667 I668 V671 | P649-G651 PolarHBondContact O-N 3.39Å; P649-I652 HydrophobicContact CB-CD1 3.87Å; P649-I652 HydrophobicContact CB-CG1 4.23Å; P649-I652 HydrophobicContact CG-CD1 4Å; P649-I652 VanDerWaalsContact O-CB 3.29Å; P649-I652 WeakPolarHBondContact O-CB 3.11Å; P649-I652 PolarHBondContact O-N 3.23Å; P649-K667 HydrophobicContact CB-CB 4.36Å; P649-K667 HydrophobicContact CG-CB 4.06Å; P649-K667 WeakPolarHBondContact CG-O 3.36Å; P649-I668 HydrophobicContact CG-CG1 4.32Å; P649-V671 HydrophobicContact CG-CG2 3.65Å |
| 650 | E | 82.3 | Confident | 89 | Confident | 200 Ų | 200 | 62.7 Ų | 62.7 | 94% | 0.935 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 135.8 | 179.6 | -166.6 | 177.4 | -166.3 | 0 | 0 | 112.5 | I652 | E650-I652 VanDerWaalsContact C-N 3.28Å; E650-I652 PolarHBondContact O-N 2.63Å |
| 651 | G | 80.4 | Confident | 89.1 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 67% | 0.67 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 17.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P649 K664 | P649-G651 PolarHBondContact O-N 3.39Å; G651-K664 PolarHBondContact O-NZ 2.87Å |
| 652 | I | 88.2 | Confident | 89.2 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | trans | -119.8 | 92.5 | 174.9 | -51.5 | -169.2 | 0 | 0 | 0 | 111.3 | P649 E650 F660 K664 I668 | P649-I652 HydrophobicContact CB-CD1 3.87Å; P649-I652 HydrophobicContact CB-CG1 4.23Å; P649-I652 HydrophobicContact CG-CD1 4Å; P649-I652 VanDerWaalsContact O-CB 3.29Å; P649-I652 WeakPolarHBondContact O-CB 3.11Å; P649-I652 PolarHBondContact O-N 3.23Å; E650-I652 VanDerWaalsContact C-N 3.28Å; E650-I652 PolarHBondContact O-N 2.63Å; I652-F660 HydrophobicContact CG2-CE1 3.74Å; I652-F660 HydrophobicContact CG2-CE2 4.49Å; I652-F660 HydrophobicContact CG2-CZ 3.66Å; I652-K664 HydrophobicContact CD1-CB 4.03Å; I652-K664 HydrophobicContact CD1-CD 4.11Å; I652-K664 HydrophobicContact CD1-CG 4.06Å; I652-K664 HydrophobicContact CG1-CD 4.22Å; I652-I668 HydrophobicContact CD1-CD1 4.38Å; I652-I668 HydrophobicContact CD1-CG1 4.02Å; I652-I668 HydrophobicContact CG2-CD1 3.97Å; I652-I668 HydrophobicContact CG2-CG1 4.18Å | ||
| 653 | S | 89.6 | Confident | 89.3 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | trans | -65 | 147.5 | 165.9 | 67.9 | 0 | 0 | 0 | 0 | 111.6 | R655 | S653-R655 PolarHBondContact O-N 2.6Å; S653-R655 VanDerWaalsContact O-N 3.17Å | ||
| 654 | L | 91.9 | Very high | 89.3 | Confident | 29 Ų | 29 | 63.1 Ų | 63.1 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -55 | 120.6 | 172.1 | -174.4 | 73 | 0 | 0 | 0 | 111.6 | F615 Y633 F636 V645 L648 F677 | F615-L654 HydrophobicContact CD2-CD1 4.31Å; F615-L654 HydrophobicContact CE2-CD1 4.03Å; F615-L654 HydrophobicContact CZ-CD1 4.18Å; Y633-L654 HydrophobicContact CD1-CD2 4.48Å; Y633-L654 HydrophobicContact CD1-CG 4.25Å; Y633-L654 HydrophobicContact CE1-CD1 4.4Å; F636-L654 HydrophobicContact CB-CD2 3.72Å; F636-L654 HydrophobicContact CD1-CD2 4.01Å; F636-L654 HydrophobicContact CG-CD2 3.9Å; V645-L654 HydrophobicContact CG2-CD1 4.09Å; V645-L654 HydrophobicContact CG2-CD2 3.77Å; V645-L654 HydrophobicContact CG2-CG 4.37Å; L648-L654 HydrophobicContact CD1-CB 4.06Å; L648-L654 HydrophobicContact CD1-CD1 4.38Å; L654-F677 HydrophobicContact CD1-CE1 4.41Å; L654-F677 HydrophobicContact CD1-CZ 4.07Å; L654-F677 HydrophobicContact CD2-CE1 4.16Å |
| 655 | R | 90.3 | Very high | 89.5 | Confident | 101 Ų | 101 | 59.7 Ų | 59.7 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | trans | -146 | 164.4 | 176.3 | -63.6 | -67.3 | 176.4 | 171.5 | -12.8 | 109 | Y633 S653 C659 F660 | Y633-R655 WeakPolarHBondContact CE1-O 3.35Å; S653-R655 PolarHBondContact O-N 2.6Å; S653-R655 VanDerWaalsContact O-N 3.17Å; R655-C659 HydrophobicContact CB-CB 4.02Å; R655-F660 HydrophobicContact CB-CE1 4.07Å; R655-F660 HydrophobicContact CB-CE2 4.35Å; R655-F660 HydrophobicContact CB-CZ 3.7Å; R655-F660 HydrophobicContact CG-CE1 4.45Å; R655-F660 HydrophobicContact CG-CZ 4.39Å | ||
| 656 | R | 91.9 | Very high | 89.5 | Confident | 154 Ų | 154 | 64.4 Ų | 64.4 | 58% | 0.581 | 36% | 0.364 | S | S | * | . | trans | -58.3 | 139.1 | 169.9 | -66.5 | -174.6 | -177 | -168 | 1.6 | 109.8 | Y633 N658 C659 | Y633-R656 HydrophobicContact CD1-CG 4.26Å; Y633-R656 HydrophobicContact CD2-CG 3.62Å; Y633-R656 HydrophobicContact CE1-CG 4.48Å; Y633-R656 HydrophobicContact CE2-CG 3.87Å; Y633-R656 HydrophobicContact CG-CG 3.83Å; R656-N658 PolarHBondContact O-N 3.19Å; R656-C659 VanDerWaalsContact O-CB 3.26Å; R656-C659 WeakPolarHBondContact O-CB 3.42Å; R656-C659 PolarHBondContact O-N 3.21Å | ||
| 657 | P | 90.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -50.2 | -32.7 | 177.4 | -31.2 | 35.9 | 0 | 0 | 0 | 115 | R608 V611 E612 F615 Y633 C659 F660 L665 | R608-P657 HydrophobicContact CB-CB 4.19Å; R608-P657 HydrophobicContact CG-CB 4.29Å; V611-P657 HydrophobicContact CB-CB 4.28Å; V611-P657 HydrophobicContact CB-CG 4.14Å; V611-P657 HydrophobicContact CG1-CB 4.39Å; V611-P657 HydrophobicContact CG1-CG 3.95Å; E612-P657 HydrophobicContact CB-CG 3.91Å; E612-P657 VanDerWaalsContact OE2-CD 3.31Å; E612-P657 WeakPolarHBondContact OE2-CD 3.46Å; F615-P657 HydrophobicContact CD2-CG 4.36Å; Y633-P657 WeakPolarHBondContact OH-CD 3.13Å; P657-C659 PolarHBondContact O-N 2.95Å; P657-C659 VanDerWaalsContact O-N 3.16Å; P657-F660 PolarHBondContact O-N 3.16Å; P657-L665 HydrophobicContact CB-CD2 4.17Å |
| 658 | N | 88.8 | Confident | 89.8 | Confident | 109 Ų | 109 | 67 Ų | 67 | 58% | 0.583 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -61.4 | -19.7 | 175.1 | -68.4 | -10.9 | 0 | 0 | 0 | 114.1 | R608 R656 F660 | R608-N658 WeakPolarHBondContact CD-OD1 3.48Å; R608-N658 PolarHBondContact NH2-O 3.24Å; R656-N658 PolarHBondContact O-N 3.19Å; N658-F660 VanDerWaalsContact C-N 3.27Å |
| 659 | C | 88.1 | Confident | 89.9 | Confident | 90 Ų | 90 | 67.4 Ų | 67.4 | 61% | 0.608 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -80 | -5.4 | 174 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | R655 R656 P657 | R655-C659 HydrophobicContact CB-CB 4.02Å; R656-C659 VanDerWaalsContact O-CB 3.26Å; R656-C659 WeakPolarHBondContact O-CB 3.42Å; R656-C659 PolarHBondContact O-N 3.21Å; P657-C659 PolarHBondContact O-N 2.95Å; P657-C659 VanDerWaalsContact O-N 3.16Å |
| 660 | F | 88.8 | Confident | 90.1 | Very high | 17 Ų | 17 | 70.4 Ų | 70.4 | 8% | 0.075 | 39% | 0.391 | C | S | . | . | trans | -108.9 | 150.2 | -179.3 | -54.8 | -49.1 | 0 | 0 | 0 | 112 | R608 I652 R655 P657 N658 K664 L665 I668 | R608-F660 PolarHBondContact NE-O 3.21Å; R608-F660 PolarHBondContact NH2-O 3.37Å; I652-F660 HydrophobicContact CG2-CE1 3.74Å; I652-F660 HydrophobicContact CG2-CE2 4.49Å; I652-F660 HydrophobicContact CG2-CZ 3.66Å; R655-F660 HydrophobicContact CB-CE1 4.07Å; R655-F660 HydrophobicContact CB-CE2 4.35Å; R655-F660 HydrophobicContact CB-CZ 3.7Å; R655-F660 HydrophobicContact CG-CE1 4.45Å; R655-F660 HydrophobicContact CG-CZ 4.39Å; P657-F660 PolarHBondContact O-N 3.16Å; N658-F660 VanDerWaalsContact C-N 3.27Å; F660-K664 HydrophobicContact CB-CB 4.15Å; F660-K664 HydrophobicContact CD1-CB 4.39Å; F660-K664 HydrophobicContact CD1-CD 4.39Å; F660-K664 HydrophobicContact CG-CB 4.45Å; F660-L665 HydrophobicContact CB-CD2 3.82Å; F660-L665 HydrophobicContact CB-CG 3.78Å; F660-L665 HydrophobicContact CD2-CD2 4.1Å; F660-L665 HydrophobicContact CG-CD2 4.48Å; F660-I668 HydrophobicContact CD2-CD1 3.51Å; F660-I668 HydrophobicContact CE2-CD1 3.45Å; F660-I668 VanDerWaalsContact CE2-CD1 3.45Å; F660-I668 HydrophobicContact CG-CD1 4.17Å; F660-I668 HydrophobicContact CZ-CD1 4.04Å | ||
| 661 | G | 88.4 | Confident | 90.7 | Very high | 40 Ų | 40 | 62.3 Ų | 62.3 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | trans | -96.7 | 169.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A663 K664 L665 | G661-A663 VanDerWaalsContact C-N 3.32Å; G661-A663 PolarHBondContact O-N 3.04Å; G661-A663 VanDerWaalsContact O-N 3.12Å; G661-K664 PolarHBondContact O-N 3.46Å; G661-L665 PolarHBondContact O-N 2.95Å; G661-L665 VanDerWaalsContact O-N 3.08Å | ||
| 662 | A | 87.3 | Confident | 91.3 | Very high | 24 Ų | 24 | 61.3 Ų | 61.3 | 20% | 0.198 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -45.8 | -47.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I604 L607 L665 R666 | I604-A662 HydrophobicContact CD1-CB 4.25Å; I604-A662 HydrophobicContact CG1-CB 3.84Å; L607-A662 HydrophobicContact CD1-CB 4.32Å; A662-L665 PolarHBondContact O-N 2.96Å; A662-R666 WeakPolarHBondContact O-CG 3.44Å; A662-R666 PolarHBondContact O-N 3.41Å |
| 663 | A | 89.3 | Confident | 91.5 | Very high | 75 Ų | 75 | 65.6 Ų | 65.6 | 62% | 0.62 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.9 | -41 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G661 K667 | G661-A663 VanDerWaalsContact C-N 3.32Å; G661-A663 PolarHBondContact O-N 3.04Å; G661-A663 VanDerWaalsContact O-N 3.12Å; A663-K667 PolarHBondContact O-N 3.46Å; A663-K667 VanDerWaalsContact O-N 3.07Å |
| 664 | K | 91.9 | Very high | 91.6 | Very high | 102 Ų | 102 | 68 Ų | 68 | 44% | 0.443 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.3 | -38.6 | 176.8 | -73.4 | -159.3 | 174.3 | -159 | 0 | 111.5 | G651 I652 F660 G661 K667 I668 | G651-K664 PolarHBondContact O-NZ 2.87Å; I652-K664 HydrophobicContact CD1-CB 4.03Å; I652-K664 HydrophobicContact CD1-CD 4.11Å; I652-K664 HydrophobicContact CD1-CG 4.06Å; I652-K664 HydrophobicContact CG1-CD 4.22Å; F660-K664 HydrophobicContact CB-CB 4.15Å; F660-K664 HydrophobicContact CD1-CB 4.39Å; F660-K664 HydrophobicContact CD1-CD 4.39Å; F660-K664 HydrophobicContact CG-CB 4.45Å; G661-K664 PolarHBondContact O-N 3.46Å; K664-K667 PolarHBondContact O-N 2.84Å; K664-I668 WeakPolarHBondContact O-CD1 3.44Å; K664-I668 VanDerWaalsContact O-CG1 3.25Å; K664-I668 WeakPolarHBondContact O-CG1 3.24Å; K664-I668 PolarHBondContact O-N 2.88Å |
| 665 | L | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 174.8 | -66.3 | 161.3 | 0 | 0 | 0 | 111.7 | L607 R608 V611 P657 F660 G661 A662 K667 I668 L669 | L607-L665 HydrophobicContact CB-CB 3.96Å; L607-L665 HydrophobicContact CB-CD1 3.92Å; L607-L665 HydrophobicContact CB-CG 4.5Å; R608-L665 HydrophobicContact CG-CD1 3.6Å; R608-L665 HydrophobicContact CG-CD2 4.11Å; V611-L665 HydrophobicContact CB-CD2 4.09Å; V611-L665 HydrophobicContact CG2-CB 4.35Å; V611-L665 HydrophobicContact CG2-CD2 3.8Å; P657-L665 HydrophobicContact CB-CD2 4.17Å; F660-L665 HydrophobicContact CB-CD2 3.82Å; F660-L665 HydrophobicContact CB-CG 3.78Å; F660-L665 HydrophobicContact CD2-CD2 4.1Å; F660-L665 HydrophobicContact CG-CD2 4.48Å; G661-L665 PolarHBondContact O-N 2.95Å; G661-L665 VanDerWaalsContact O-N 3.08Å; A662-L665 PolarHBondContact O-N 2.96Å; L665-K667 PolarHBondContact O-N 3.1Å; L665-I668 PolarHBondContact O-N 3.45Å; L665-L669 WeakPolarHBondContact O-CG 3.41Å; L665-L669 PolarHBondContact O-N 2.83Å |
| 666 | R | 93.2 | Very high | 92 | Very high | 123 Ų | 123 | 66.9 Ų | 66.9 | 46% | 0.464 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 174.6 | -75.9 | -179.6 | 169.9 | 108.5 | -0.3 | 112.4 | M603 L607 A662 I668 L669 A670 | M603-R666 PolarHBondContact SD-NH2 3.29Å; L607-R666 HydrophobicContact CD1-CG 4.05Å; L607-R666 HydrophobicContact CD2-CG 3.86Å; A662-R666 WeakPolarHBondContact O-CG 3.44Å; A662-R666 PolarHBondContact O-N 3.41Å; R666-I668 VanDerWaalsContact C-N 3.32Å; R666-I668 PolarHBondContact O-N 2.92Å; R666-L669 PolarHBondContact O-N 3.23Å; R666-A670 WeakPolarHBondContact O-CB 3.37Å; R666-A670 PolarHBondContact O-N 2.95Å |
| 667 | K | 94.1 | Very high | 92.1 | Very high | 141 Ų | 141 | 59.7 Ų | 59.7 | 61% | 0.613 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.5 | -38.4 | 175.2 | -75.2 | -164.9 | 174.6 | -161.8 | 0 | 112.8 | P649 A663 K664 L665 A670 V671 | P649-K667 HydrophobicContact CB-CB 4.36Å; P649-K667 HydrophobicContact CG-CB 4.06Å; P649-K667 WeakPolarHBondContact CG-O 3.36Å; A663-K667 PolarHBondContact O-N 3.46Å; A663-K667 VanDerWaalsContact O-N 3.07Å; K664-K667 PolarHBondContact O-N 2.84Å; L665-K667 PolarHBondContact O-N 3.1Å; K667-A670 PolarHBondContact O-N 3.31Å; K667-V671 PolarHBondContact O-N 3.05Å |
| 668 | I | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 176.4 | -64.8 | 159.9 | 0 | 0 | 0 | 111.2 | V611 F615 L648 P649 I652 F660 K664 L665 R666 A670 V671 S672 I675 | V611-I668 HydrophobicContact CG1-CD1 4.44Å; V611-I668 HydrophobicContact CG1-CG2 3.74Å; V611-I668 HydrophobicContact CG2-CB 4.38Å; V611-I668 HydrophobicContact CG2-CG2 4.21Å; F615-I668 HydrophobicContact CE1-CG2 3.76Å; F615-I668 HydrophobicContact CZ-CG2 3.79Å; L648-I668 HydrophobicContact CD2-CG2 4.44Å; P649-I668 HydrophobicContact CG-CG1 4.32Å; I652-I668 HydrophobicContact CD1-CD1 4.38Å; I652-I668 HydrophobicContact CD1-CG1 4.02Å; I652-I668 HydrophobicContact CG2-CD1 3.97Å; I652-I668 HydrophobicContact CG2-CG1 4.18Å; F660-I668 HydrophobicContact CD2-CD1 3.51Å; F660-I668 HydrophobicContact CE2-CD1 3.45Å; F660-I668 VanDerWaalsContact CE2-CD1 3.45Å; F660-I668 HydrophobicContact CG-CD1 4.17Å; F660-I668 HydrophobicContact CZ-CD1 4.04Å; K664-I668 WeakPolarHBondContact O-CD1 3.44Å; K664-I668 VanDerWaalsContact O-CG1 3.25Å; K664-I668 WeakPolarHBondContact O-CG1 3.24Å; K664-I668 PolarHBondContact O-N 2.88Å; L665-I668 PolarHBondContact O-N 3.45Å; R666-I668 VanDerWaalsContact C-N 3.32Å; R666-I668 PolarHBondContact O-N 2.92Å; I668-A670 VanDerWaalsContact C-N 3.35Å; I668-V671 PolarHBondContact O-N 3.35Å; I668-S672 PolarHBondContact O-N 3.37Å; I668-I675 HydrophobicContact CG2-CD1 3.69Å; I668-I675 WeakPolarHBondContact O-CD1 3.37Å |
| 669 | L | 94.3 | Very high | 92.4 | Very high | 40 Ų | 40 | 59.5 Ų | 59.5 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.2 | -34.4 | 177.1 | -66.2 | 174.3 | 0 | 0 | 0 | 112.6 | L607 Q610 V611 L614 L665 R666 V671 S672 | L607-L669 HydrophobicContact CD2-CD1 3.65Å; Q610-L669 HydrophobicContact CB-CD1 3.96Å; Q610-L669 HydrophobicContact CB-CD2 3.96Å; V611-L669 HydrophobicContact CG2-CD1 4.21Å; V611-L669 HydrophobicContact CG2-CD2 3.62Å; V611-L669 HydrophobicContact CG2-CG 3.64Å; L614-L669 HydrophobicContact CD2-CD2 4.1Å; L665-L669 WeakPolarHBondContact O-CG 3.41Å; L665-L669 PolarHBondContact O-N 2.83Å; R666-L669 PolarHBondContact O-N 3.23Å; L669-V671 VanDerWaalsContact C-N 3.28Å; L669-V671 PolarHBondContact O-N 2.54Å; L669-S672 WeakPolarHBondContact O-CB 3.48Å; L669-S672 PolarHBondContact O-N 3.47Å; L669-S672 PolarHBondContact O-OG 3.31Å |
| 670 | A | 94.4 | Very high | 92.4 | Very high | 83 Ų | 83 | 61.1 Ų | 61.1 | 69% | 0.686 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.8 | -30.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R666 K667 I668 | R666-A670 WeakPolarHBondContact O-CB 3.37Å; R666-A670 PolarHBondContact O-N 2.95Å; K667-A670 PolarHBondContact O-N 3.31Å; I668-A670 VanDerWaalsContact C-N 3.35Å |
| 671 | V | 94.9 | Very high | 92.2 | Very high | 30 Ų | 30 | 65.3 Ų | 65.3 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 19.3 | 175.5 | -55.2 | 0 | 0 | 0 | 0 | 112.9 | G647 P649 K667 I668 L669 S673 Q674 I675 | G647-V671 VanDerWaalsContact O-CG2 3.24Å; G647-V671 WeakPolarHBondContact O-CG2 3.42Å; P649-V671 HydrophobicContact CG-CG2 3.65Å; K667-V671 PolarHBondContact O-N 3.05Å; I668-V671 PolarHBondContact O-N 3.35Å; L669-V671 VanDerWaalsContact C-N 3.28Å; L669-V671 PolarHBondContact O-N 2.54Å; V671-S673 PolarHBondContact O-N 3.13Å; V671-Q674 HydrophobicContact CB-CB 4.46Å; V671-Q674 WeakPolarHBondContact O-CB 3.39Å; V671-Q674 PolarHBondContact O-N 3.31Å; V671-I675 HydrophobicContact CG2-CD1 4Å; V671-I675 HydrophobicContact CG2-CG1 4.15Å; V671-I675 PolarHBondContact O-N 3.32Å |
| 672 | S | 92.8 | Very high | 91.8 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28 | -172.4 | 50.1 | 0 | 0 | 0 | 0 | 115.7 | L614 I668 L669 | L614-S672 VanDerWaalsContact CD2-CB 3.44Å; I668-S672 PolarHBondContact O-N 3.37Å; L669-S672 WeakPolarHBondContact O-CB 3.48Å; L669-S672 PolarHBondContact O-N 3.47Å; L669-S672 PolarHBondContact O-OG 3.31Å |
| 673 | S | 92.2 | Very high | 91.4 | Very high | 103 Ų | 103 | 71.3 Ų | 71.3 | 72% | 0.72 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -22.5 | 174.4 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | V671 | V671-S673 PolarHBondContact O-N 3.13Š|
| 674 | Q | 93.2 | Very high | 90.9 | Very high | 122 Ų | 122 | 69.1 Ų | 69.1 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -18.9 | -178.9 | -54.8 | 178.3 | 6.4 | 0 | 0 | 112.4 | G647 V671 Q676 | G647-Q674 WeakPolarHBondContact CA-O 3.24Å; V671-Q674 HydrophobicContact CB-CB 4.46Å; V671-Q674 WeakPolarHBondContact O-CB 3.39Å; V671-Q674 PolarHBondContact O-N 3.31Å; Q674-Q676 PolarHBondContact O-N 3.19Å |
| 675 | I | 95.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | trans | -74.7 | 116.9 | -176.2 | -66.4 | 169.9 | 0 | 0 | 0 | 109.9 | L614 F615 K618 V645 T646 G647 L648 I668 V671 F677 | L614-I675 HydrophobicContact CD2-CD1 4.29Å; F615-I675 HydrophobicContact CD1-CG2 4.39Å; F615-I675 HydrophobicContact CE1-CD1 4.27Å; F615-I675 HydrophobicContact CE1-CG2 4.25Å; K618-I675 WeakPolarHBondContact CG-O 3.47Å; V645-I675 HydrophobicContact CG1-CG2 3.79Å; T646-I675 WeakPolarHBondContact O-CA 3.42Å; G647-I675 VanDerWaalsContact O-CG1 3.32Å; G647-I675 WeakPolarHBondContact O-CG1 3.45Å; L648-I675 HydrophobicContact CD2-CD1 3.93Å; L648-I675 HydrophobicContact CD2-CG1 4.24Å; I668-I675 HydrophobicContact CG2-CD1 3.69Å; I668-I675 WeakPolarHBondContact O-CD1 3.37Å; V671-I675 HydrophobicContact CG2-CD1 4Å; V671-I675 HydrophobicContact CG2-CG1 4.15Å; V671-I675 PolarHBondContact O-N 3.32Å; I675-F677 HydrophobicContact CG2-CE2 4.39Å | ||
| 676 | Q | 93.4 | Very high | 88.5 | Confident | 105 Ų | 105 | 68.2 Ų | 68.2 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.4 | -179.9 | -172.7 | 174.6 | 14.1 | 0 | 0 | 110.7 | V645 T646 Q674 F678 | V645-Q676 VanDerWaalsContact CA-O 3.3Å; V645-Q676 WeakPolarHBondContact CA-O 3.2Å; V645-Q676 WeakPolarHBondContact CG1-O 3.23Å; T646-Q676 PolarHBondContact N-O 2.72Å; T646-Q676 PolarHBondContact O-N 2.73Å; Q674-Q676 PolarHBondContact O-N 3.19Å; Q676-F678 HydrophobicContact CB-CE2 3.9Å; Q676-F678 HydrophobicContact CG-CD2 4.29Å; Q676-F678 HydrophobicContact CG-CE2 3.67Å; Q676-F678 HydrophobicContact CG-CZ 4.05Å |
| 677 | F | 95.2 | Very high | 86.5 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 136.2 | 175.5 | -76.7 | -112.6 | 0 | 0 | 0 | 109.7 | F615 K618 Y619 A622 V631 F636 V645 L654 I675 | F615-F677 HydrophobicContact CB-CE2 4.38Å; F615-F677 HydrophobicContact CB-CZ 4.08Å; F615-F677 HydrophobicContact CD1-CE2 4.29Å; F615-F677 HydrophobicContact CD1-CZ 4.39Å; F615-F677 HydrophobicContact CG-CZ 4.31Å; K618-F677 HydrophobicContact CB-CD2 3.65Å; K618-F677 HydrophobicContact CB-CE2 3.84Å; Y619-F677 AromaticContact CD2-CD1 3.86Å; Y619-F677 HydrophobicContact CD2-CD1 3.86Å; Y619-F677 HydrophobicContact CD2-CE1 4.37Å; Y619-F677 HydrophobicContact CD2-CG 4.48Å; Y619-F677 HydrophobicContact CG-CD1 4.37Å; A622-F677 HydrophobicContact CB-CB 3.6Å; A622-F677 VanDerWaalsContact CB-O 3.26Å; A622-F677 WeakPolarHBondContact CB-O 3.26Å; V631-F677 HydrophobicContact CG1-CE1 3.62Å; V631-F677 HydrophobicContact CG1-CZ 4.15Å; V631-F677 HydrophobicContact CG2-CE1 4.34Å; V631-F677 HydrophobicContact CG2-CZ 4.25Å; F636-F677 HydrophobicContact CD1-CD1 4.35Å; F636-F677 AromaticContact CE1-CD1 3.64Å; F636-F677 HydrophobicContact CE1-CD1 3.64Å; F636-F677 HydrophobicContact CE1-CE1 4.27Å; F636-F677 HydrophobicContact CE2-CD1 4.4Å; F636-F677 AromaticContact CZ-CD1 3.68Å; F636-F677 HydrophobicContact CZ-CD1 3.68Å; F636-F677 HydrophobicContact CZ-CE1 4.32Å; V645-F677 HydrophobicContact CG1-CD2 4.26Å; V645-F677 HydrophobicContact CG1-CE2 4.21Å; V645-F677 HydrophobicContact CG2-CB 4.42Å; V645-F677 HydrophobicContact CG2-CD1 3.4Å; V645-F677 HydrophobicContact CG2-CD2 3.96Å; V645-F677 HydrophobicContact CG2-CE1 3.44Å; V645-F677 VanDerWaalsContact CG2-CE1 3.44Å; V645-F677 HydrophobicContact CG2-CE2 4Å; V645-F677 HydrophobicContact CG2-CG 3.66Å; V645-F677 HydrophobicContact CG2-CZ 3.75Å; L654-F677 HydrophobicContact CD1-CE1 4.41Å; L654-F677 HydrophobicContact CD1-CZ 4.07Å; L654-F677 HydrophobicContact CD2-CE1 4.16Å; I675-F677 HydrophobicContact CG2-CE2 4.39Å |
| 678 | F | 91.6 | Very high | 84.2 | Confident | 70 Ų | 70 | 72 Ų | 72 | 31% | 0.307 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.2 | 177.8 | -77.5 | -89.6 | 0 | 0 | 0 | 110.2 | L643 Y644 T646 Q676 | L643-F678 WeakPolarHBondContact CA-O 3.49Å; Y644-F678 HydrophobicContact CD1-CB 4.27Å; Y644-F678 HydrophobicContact CD2-CB 3.98Å; Y644-F678 HydrophobicContact CD2-CD2 4.45Å; Y644-F678 HydrophobicContact CD2-CG 4.48Å; Y644-F678 HydrophobicContact CE1-CB 3.88Å; Y644-F678 HydrophobicContact CE2-CB 3.59Å; Y644-F678 AromaticContact CE2-CD2 4Å; Y644-F678 HydrophobicContact CE2-CD2 4Å; Y644-F678 AromaticContact CE2-CG 3.82Å; Y644-F678 HydrophobicContact CE2-CG 3.82Å; Y644-F678 HydrophobicContact CG-CB 4.3Å; Y644-F678 PolarHBondContact N-O 2.99Å; Y644-F678 VanDerWaalsContact N-O 3.14Å; Y644-F678 PolarHBondContact O-N 3.19Å; T646-F678 HydrophobicContact CG2-CD2 4.06Å; T646-F678 HydrophobicContact CG2-CE2 4.08Å; T646-F678 WeakPolarHBondContact OG1-CE2 3.21Å; Q676-F678 HydrophobicContact CB-CE2 3.9Å; Q676-F678 HydrophobicContact CG-CD2 4.29Å; Q676-F678 HydrophobicContact CG-CE2 3.67Å; Q676-F678 HydrophobicContact CG-CZ 4.05Å |
| 679 | I | 93 | Very high | 81.6 | Confident | 35 Ų | 35 | 78 Ų | 78 | 18% | 0.179 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 89.1 | -173.8 | -59.1 | 173.9 | 0 | 0 | 0 | 107.2 | Y619 A622 L623 F636 L643 P682 L685 | Y619-I679 HydrophobicContact CD2-CD1 4.24Å; Y619-I679 HydrophobicContact CE2-CD1 3.9Å; A622-I679 HydrophobicContact CB-CD1 4.05Å; L623-I679 HydrophobicContact CD2-CD1 3.62Å; L623-I679 HydrophobicContact CG-CD1 3.95Å; F636-I679 HydrophobicContact CZ-CG1 4.21Å; L643-I679 HydrophobicContact CD2-CB 4.25Å; L643-I679 HydrophobicContact CD2-CG1 4.23Å; L643-I679 HydrophobicContact CD2-CG2 3.81Å; I679-P682 HydrophobicContact CG2-CB 3.91Å; I679-L685 HydrophobicContact CD1-CD1 3.8Å; I679-L685 HydrophobicContact CG1-CD1 4.23Å; I679-L685 HydrophobicContact CG2-CD1 3.76Å |
| 680 | K | 88.8 | Confident | 78.8 | Confident | 124 Ų | 124 | 86 Ų | 86 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -73.6 | -30.7 | 177.1 | -66.2 | -179.3 | -175.9 | 146.4 | 0 | 112.3 | E641 D642 Y644 | E641-K680 WeakPolarHBondContact O-CD 3.42Å; E641-K680 PolarHBondContact O-NZ 3.45Å; D642-K680 PolarHBondContact O-N 2.86Å; Y644-K680 HydrophobicContact CE1-CD 4.18Å; Y644-K680 HydrophobicContact CE1-CG 4.27Å; Y644-K680 WeakPolarHBondContact OH-CE 3.32Å |
| 681 | R | 83.3 | Confident | 76 | Confident | 105 Ų | 105 | 91 Ų | 91 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | trans | -127 | 80.2 | -178 | -74 | -159 | -77.3 | 166.4 | -2.1 | 111.4 | D642 E683 L684 | D642-R681 HydrophobicContact CB-CB 4.36Å; D642-R681 VanDerWaalsContact CG-NE 3.3Å; D642-R681 IonicContact OD1-CZ 2.58Å; D642-R681 VanDerWaalsContact OD1-CZ 3.3Å; D642-R681 IonicContact OD1-NE 3.98Å; D642-R681 PolarHBondContact OD1-NE 2.73Å; D642-R681 IonicContact OD1-NH2 3.27Å; D642-R681 PolarHBondContact OD1-NH2 3.12Å; D642-R681 IonicContact OD2-CZ 3.91Å; D642-R681 IonicContact OD2-NE 3.94Å; D642-R681 IonicContact OD2-NH2 3.02Å; D642-R681 PolarHBondContact OD2-NH2 3.3Å; R681-E683 WeakPolarHBondContact CA-OE2 3.39Å; R681-E683 WeakPolarHBondContact CB-OE1 3.36Å; R681-E683 WeakPolarHBondContact CB-OE2 3.49Å; R681-E683 WeakPolarHBondContact CD-OE1 3.42Å; R681-E683 VanDerWaalsContact CG-OE1 3.31Å; R681-E683 WeakPolarHBondContact CG-OE1 3.38Å; R681-E683 PolarHBondContact O-N 3.09Å; R681-L684 HydrophobicContact CB-CD1 3.79Å; R681-L684 HydrophobicContact CB-CG 3.94Å; R681-L684 WeakPolarHBondContact O-CB 3.14Å; R681-L684 PolarHBondContact O-N 2.85Å; R681-L684 VanDerWaalsContact O-N 3.16Å | ||
| 682 | P | 80.9 | Confident | 73 | Confident | 73 Ų | 73 | 97.5 Ų | 97.5 | 47% | 0.474 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -63.6 | -21 | -179.2 | 27.1 | -35.1 | 0 | 0 | 0 | 113.5 | I679 L684 L685 A686 | I679-P682 HydrophobicContact CG2-CB 3.91Å; P682-L684 PolarHBondContact O-N 3.42Å; P682-L685 WeakPolarHBondContact O-CA 3.43Å; P682-L685 WeakPolarHBondContact O-CB 3.48Å; P682-L685 PolarHBondContact O-N 3.14Å; P682-A686 PolarHBondContact O-N 3.34Å |
| 683 | E | 79.7 | Confident | 69.8 | Low | 117 Ų | 117 | 102.9 Ų | 102.9 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -60.2 | -26.1 | 173.3 | 71.2 | -81.8 | -163.8 | 0 | 0 | 113 | R681 L685 A686 | R681-E683 WeakPolarHBondContact CA-OE2 3.39Å; R681-E683 WeakPolarHBondContact CB-OE1 3.36Å; R681-E683 WeakPolarHBondContact CB-OE2 3.49Å; R681-E683 WeakPolarHBondContact CD-OE1 3.42Å; R681-E683 VanDerWaalsContact CG-OE1 3.31Å; R681-E683 WeakPolarHBondContact CG-OE1 3.38Å; R681-E683 PolarHBondContact O-N 3.09Å; E683-L685 PolarHBondContact O-N 3.48Å; E683-L685 VanDerWaalsContact O-N 3.14Å; E683-A686 PolarHBondContact O-N 3.13Å |
| 684 | L | 78.8 | Confident | 67.3 | Low | 28 Ų | 28 | 104 Ų | 104 | 15% | 0.147 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -64.3 | -15.8 | 172.2 | -61.3 | 175.5 | 0 | 0 | 0 | 112.6 | K635 Y639 D642 L643 R681 P682 | K635-L684 VanDerWaalsContact CD-O 3.31Å; K635-L684 WeakPolarHBondContact CD-O 3.47Å; K635-L684 WeakPolarHBondContact CE-O 3.33Å; K635-L684 PolarHBondContact NZ-O 2.96Å; Y639-L684 HydrophobicContact CD1-CD1 4.39Å; Y639-L684 HydrophobicContact CD2-CD1 4.05Å; Y639-L684 HydrophobicContact CE2-CD2 4.31Å; Y639-L684 HydrophobicContact CG-CD1 3.92Å; D642-L684 HydrophobicContact CB-CD1 3.82Å; L643-L684 HydrophobicContact CD1-CB 4.1Å; L643-L684 HydrophobicContact CD1-CD1 4.1Å; L643-L684 HydrophobicContact CG-CD1 4.16Å; R681-L684 HydrophobicContact CB-CD1 3.79Å; R681-L684 HydrophobicContact CB-CG 3.94Å; R681-L684 WeakPolarHBondContact O-CB 3.14Å; R681-L684 PolarHBondContact O-N 2.85Å; R681-L684 VanDerWaalsContact O-N 3.16Å; P682-L684 PolarHBondContact O-N 3.42Å |
| 685 | L | 77.6 | Confident | 64.1 | Low | 22 Ų | 22 | 103.9 Ų | 103.9 | 12% | 0.115 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -13.5 | -175.8 | -53.2 | 174.8 | 0 | 0 | 0 | 113.4 | Y619 L623 P632 K635 L643 I679 P682 E683 E687 | Y619-L685 HydrophobicContact CE2-CD1 4.17Å; L623-L685 HydrophobicContact CD2-CD1 4.16Å; P632-L685 HydrophobicContact CG-CD2 3.83Å; K635-L685 HydrophobicContact CB-CD2 4.17Å; K635-L685 HydrophobicContact CG-CD2 4.41Å; L643-L685 HydrophobicContact CD1-CD2 3.9Å; L643-L685 HydrophobicContact CD1-CG 4.46Å; L643-L685 HydrophobicContact CD2-CD1 4.05Å; L643-L685 HydrophobicContact CD2-CD2 4.44Å; L643-L685 HydrophobicContact CD2-CG 4.27Å; I679-L685 HydrophobicContact CD1-CD1 3.8Å; I679-L685 HydrophobicContact CG1-CD1 4.23Å; I679-L685 HydrophobicContact CG2-CD1 3.76Å; P682-L685 WeakPolarHBondContact O-CA 3.43Å; P682-L685 WeakPolarHBondContact O-CB 3.48Å; P682-L685 PolarHBondContact O-N 3.14Å; E683-L685 PolarHBondContact O-N 3.48Å; E683-L685 VanDerWaalsContact O-N 3.14Å; L685-E687 PolarHBondContact O-N 3Å |
| 686 | A | 56.5 | Low | 60.9 | Low | 61 Ų | 61 | 112.1 Ų | 112.1 | 50% | 0.504 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -67.3 | -1.9 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | P682 E683 Q688 | P682-A686 PolarHBondContact O-N 3.34Å; E683-A686 PolarHBondContact O-N 3.13Å; A686-Q688 PolarHBondContact O-N 3.16Å; A686-Q688 VanDerWaalsContact O-N 3.16Å |
| 687 | E | 50.8 | Low | 58.1 | Low | 162 Ų | 162 | 112.5 Ų | 112.5 | 76% | 0.757 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -74.9 | 0.9 | -172.7 | -148.6 | 167.1 | -165.3 | 0 | 0 | 114.2 | K635 L685 | K635-E687 IonicContact NZ-OE2 2.68Å; K635-E687 PolarHBondContact NZ-OE2 3.38Å; L685-E687 PolarHBondContact O-N 3Å |
| 688 | Q | 47.5 | Very low | 54.8 | Low | 181 Ų | 181 | 118 Ų | 118 | 85% | 0.846 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -128.3 | 3.1 | -175.4 | -65 | -167.7 | -21.9 | 0 | 0 | 115.4 | A686 | A686-Q688 PolarHBondContact O-N 3.16Å; A686-Q688 VanDerWaalsContact O-N 3.16Å |
| 689 | V | 39.6 | Very low | 51.6 | Low | 126 Ų | 126 | 119.6 Ų | 119.6 | 76% | 0.764 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -101 | -13 | -172.7 | -175.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 690 | K | 34.1 | Very low | 48.2 | Very low | 208 Ų | 208 | 126.3 Ų | 126.3 | 90% | 0.904 | 66% | 0.663 | S | S | * | * | trans | -99.4 | 78 | 176 | -82 | -168.3 | 170.8 | -174 | 0 | 112.6 | ||||
| 691 | Q | 36.8 | Very low | 45.3 | Very low | 188 Ų | 188 | 124.5 Ų | 124.5 | 88% | 0.879 | 67% | 0.671 | S | S | * | * | trans | -151.1 | 57.5 | 159.1 | -153.4 | 169.7 | 22.1 | 0 | 0 | 114 | ||||
| 692 | E | 31.3 | Very low | 42.7 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -146.1 | 152.5 | 164.4 | -138.3 | 174.3 | -158.1 | 0 | 0 | 111.4 | ||
| 693 | M | 25.4 | Very low | 40.7 | Very low | 157 Ų | 157 | 130 Ų | 130 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | trans | 66.1 | 122.6 | 178.3 | -49.3 | -53.8 | 166.9 | 0 | 0 | 118.1 | ||||
| 694 | P | 39.8 | Very low | 38 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 83% | 0.831 | 72% | 0.715 | S | S | * | * | trans | -99.3 | 151.8 | 172.9 | 37.4 | -32.4 | 0 | 0 | 0 | 113.4 | ||||
| 695 | S | 25.7 | Very low | 35.7 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -153.7 | 140.2 | 164.6 | 55 | 0 | 0 | 0 | 0 | 113 | ||||
| 696 | M | 29.6 | Very low | 33.5 | Very low | 174 Ų | 174 | 143 Ų | 143 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -101.6 | 150.2 | 159.8 | -72.1 | -74.9 | -71.2 | 0 | 0 | 107.4 | ||||
| 697 | P | 34.7 | Very low | 32 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | -152.6 | 146.6 | 99.3 | 35.9 | -17 | 0 | 0 | 0 | 117.9 | |||||
| 698 | V | 25.1 | Very low | 30.9 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | 66 | 103.6 | 132.1 | -178.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 699 | C | 24 | Very low | 29.9 | Very low | 103 Ų | 103 | 139 Ų | 139 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | 61.6 | 171 | 121.9 | -52.3 | 0 | 0 | 0 | 0 | 125 | |||||
| 700 | E | 22.9 | Very low | 29.8 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 74.5 | 132.2 | 177.4 | -49.7 | -50.8 | 109.6 | 0 | 0 | 117.3 | ||||
| 701 | A | 28.1 | Very low | 29.6 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | cis | -160 | 161.8 | -13 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 702 | E | 26.9 | Very low | 29.1 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -83.1 | 157.2 | 172.9 | -76.5 | -72.8 | 140.5 | 0 | 0 | 112 | ||||
| 703 | P | 38.9 | Very low | 28.9 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | -150.2 | 157.8 | 91.5 | 38.7 | -20.4 | 0 | 0 | 0 | 118.4 | |||||
| 704 | D | 24.7 | Very low | 29 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -55 | 157.4 | 169.5 | -114.2 | -57.1 | 0 | 0 | 0 | 116.4 | ||||
| 705 | T | 30.7 | Very low | 28.5 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | 170.7 | 133.6 | 111.8 | -64.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 706 | K | 30.6 | Very low | 28.9 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | -27.2 | 163.7 | 156.4 | -108.9 | 171.7 | 160.9 | -108.8 | 0 | 117.6 | ||||
| 707 | D | 25.4 | Very low | 28.8 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 60% | 0.604 | 77% | 0.774 | S | S | * | * | cis | -168.7 | -177.4 | 24.6 | -141.7 | -29.7 | 0 | 0 | 0 | 112.9 | ||||
| 708 | S | 27.3 | Very low | 28.6 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | 84.4 | 151.4 | 158.4 | -52.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 709 | A | 25.6 | Very low | 28.9 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -150.8 | -172.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 710 | P | 39.4 | Very low | 29.5 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | cis | -143.4 | -163.3 | 7.6 | 44.8 | -24.2 | 0 | 0 | 0 | 116.7 | ||||
| 711 | A | 28.1 | Very low | 29.7 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | 103.9 | 119.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 712 | E | 27.7 | Very low | 30 | Very low | 192 Ų | 192 | 133 Ų | 133 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | 58.3 | 135.7 | 141.2 | -67 | 172.7 | -178.9 | 0 | 0 | 121.3 | ||||
| 713 | D | 26.4 | Very low | 30 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | cis | -159.2 | 166.8 | -10.1 | -167.6 | 16.5 | 0 | 0 | 0 | 112.1 | ||||
| 714 | T | 28.5 | Very low | 29.7 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 61.4 | 85.3 | 165.4 | 54.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 715 | A | 27.3 | Very low | 30 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -155.5 | 133.9 | 143.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L717 | A715-L717 PolarHBondContact O-N 2.67Š| ||
| 716 | A | 35.9 | Very low | 29.9 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | -83.8 | 102.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 717 | L | 26.8 | Very low | 30.1 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -144.1 | 102.7 | 168.3 | -146 | 83.7 | 0 | 0 | 0 | 111.1 | A715 | A715-L717 PolarHBondContact O-N 2.67Š| ||
| 718 | S | 30.3 | Very low | 30.7 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 137.8 | 177.4 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 719 | K | 30.9 | Very low | 31.3 | Very low | 192 Ų | 192 | 131 Ų | 131 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 140 | -174.8 | -67.1 | 179.2 | 180 | 176.9 | 0 | 112 | ||
| 720 | R | 38 | Very low | 32.1 | Very low | 196 Ų | 196 | 135.8 Ų | 135.8 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 136.9 | 165.3 | -168.1 | 177.9 | -172 | -176.5 | -0.1 | 109.5 | ||
| 721 | P | 27 | Very low | 32.5 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | -116.4 | 160.1 | 127.4 | -4.7 | 24.3 | 0 | 0 | 0 | 111 | |||||
| 722 | G | 33 | Very low | 34 | Very low | 59 Ų | 59 | 133.5 Ų | 133.5 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | trans | -83.2 | 122.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 723 | F | 28.3 | Very low | 35.6 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | -151.4 | 55.9 | 154.2 | -143.2 | -90.1 | 0 | 0 | 0 | 112.5 | ||||
| 724 | S | 32.3 | Very low | 37.7 | Very low | 87 Ų | 87 | 134 Ų | 134 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | trans | -133 | -4.4 | -178.7 | 66.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 725 | E | 30.5 | Very low | 39.8 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 66% | 0.659 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -92 | 0.7 | -177.2 | -71.7 | 170.5 | 150.2 | 0 | 0 | 113.8 | S729 | E725-S729 PolarHBondContact O-OG 3.16Š|
| 726 | C | 29.4 | Very low | 42.4 | Very low | 92 Ų | 92 | 129 Ų | 129 | 62% | 0.622 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -22 | -176.6 | -163.2 | 0 | 0 | 0 | 0 | 114 | ||
| 727 | M | 34.9 | Very low | 44.6 | Very low | 169 Ų | 169 | 124.5 Ų | 124.5 | 83% | 0.833 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -16.1 | -173.6 | -68.9 | -63.7 | 178.3 | 0 | 0 | 115.2 | ||
| 728 | E | 37.3 | Very low | 47.4 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -30.9 | -179.7 | -167.3 | 160.6 | -158.1 | 0 | 0 | 112.2 | K730 L731 | E728-K730 PolarHBondContact O-N 2.74Å; E728-L731 PolarHBondContact O-N 3Å |
| 729 | S | 38.8 | Very low | 50.1 | Low | 104 Ų | 104 | 117.2 Ų | 117.2 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 15.9 | -171.9 | -57.8 | 0 | 0 | 0 | 0 | 116.2 | E725 | E725-S729 PolarHBondContact O-OG 3.16Š|
| 730 | K | 42.7 | Very low | 52.9 | Low | 195 Ų | 195 | 108.7 Ų | 108.7 | 85% | 0.848 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.4 | -0.7 | 178.4 | -77.3 | -171.3 | 178.6 | 177.2 | 0 | 115.8 | E728 | E728-K730 PolarHBondContact O-N 2.74Š|
| 731 | L | 49 | Very low | 55.6 | Low | 97 Ų | 97 | 102.2 Ų | 102.2 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -75.5 | 134.5 | 161.7 | -69.1 | 177.6 | 0 | 0 | 0 | 108.8 | E728 D735 | E728-L731 PolarHBondContact O-N 3Å; L731-D735 HydrophobicContact CB-CB 4.31Å; L731-D735 HydrophobicContact CD2-CB 4.15Å |
| 732 | S | 59.3 | Low | 58.7 | Low | 60 Ų | 60 | 102.9 Ų | 102.9 | 42% | 0.42 | 54% | 0.535 | S | S | . | . | trans | -62 | 153.1 | 169.2 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | I734 D735 L736 | S732-I734 PolarHBondContact O-N 2.84Å; S732-I734 PolarHBondContact OG-N 2.82Å; S732-D735 WeakPolarHBondContact CB-OD2 3.48Å; S732-D735 PolarHBondContact N-OD2 3.28Å; S732-D735 PolarHBondContact O-N 3.35Å; S732-L736 PolarHBondContact O-N 2.92Å | ||
| 733 | R | 61 | Low | 61.5 | Low | 230 Ų | 230 | 104.7 Ų | 104.7 | 87% | 0.868 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -54.3 | -22.5 | 168.1 | -68.7 | -177.5 | 178.8 | 171.7 | -0.4 | 112.2 | A737 | R733-A737 VanDerWaalsContact O-CB 3.32Å; R733-A737 WeakPolarHBondContact O-CB 3.48Å; R733-A737 PolarHBondContact O-N 3.03Å |
| 734 | I | 69.9 | Low | 64.7 | Low | 109 Ų | 109 | 95.5 Ų | 95.5 | 56% | 0.559 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -76.9 | -37.2 | 173.3 | -136 | 71.5 | 0 | 0 | 0 | 112.5 | S732 N738 | S732-I734 PolarHBondContact O-N 2.84Å; S732-I734 PolarHBondContact OG-N 2.82Å; I734-N738 PolarHBondContact O-N 2.88Å; I734-N738 PolarHBondContact O-ND2 3.09Å; I734-N738 VanDerWaalsContact O-ND2 3.09Å |
| 735 | D | 73.9 | Confident | 67.6 | Low | 67 Ų | 67 | 93.8 Ų | 93.8 | 36% | 0.358 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.5 | -45.7 | -176.2 | -54.3 | -40.4 | 0 | 0 | 0 | 110.9 | L731 S732 A737 N738 T739 | L731-D735 HydrophobicContact CB-CB 4.31Å; L731-D735 HydrophobicContact CD2-CB 4.15Å; S732-D735 WeakPolarHBondContact CB-OD2 3.48Å; S732-D735 PolarHBondContact N-OD2 3.28Å; S732-D735 PolarHBondContact O-N 3.35Å; D735-A737 VanDerWaalsContact C-N 3.27Å; D735-A737 PolarHBondContact O-N 3.23Å; D735-N738 CarbonylContact O-C 3.6Å; D735-N738 WeakPolarHBondContact O-CA 3.49Å; D735-N738 WeakPolarHBondContact O-CB 3.46Å; D735-N738 PolarHBondContact O-N 2.94Å; D735-T739 PolarHBondContact O-N 3.45Å; D735-T739 PolarHBondContact O-OG1 3Å |
| 736 | L | 81.9 | Confident | 70.6 | Confident | 60 Ų | 60 | 90.7 Ų | 90.7 | 31% | 0.314 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -53.5 | -46.8 | 170.7 | 176.9 | 61.5 | 0 | 0 | 0 | 110.7 | S732 N738 T739 L740 | S732-L736 PolarHBondContact O-N 2.92Å; L736-N738 VanDerWaalsContact C-N 3.25Å; L736-N738 PolarHBondContact O-N 3.18Å; L736-T739 PolarHBondContact O-N 2.9Å; L736-L740 HydrophobicContact CD1-CD1 4.04Å; L736-L740 HydrophobicContact CD1-CG 4.31Å; L736-L740 HydrophobicContact CG-CD1 3.93Å; L736-L740 WeakPolarHBondContact O-CB 3.21Å; L736-L740 WeakPolarHBondContact O-CD1 3.19Å; L736-L740 WeakPolarHBondContact O-CG 3.31Å; L736-L740 PolarHBondContact O-N 3.35Å |
| 737 | A | 81.3 | Confident | 73.6 | Confident | 9 Ų | 9 | 87.1 Ų | 87.1 | 7% | 0.074 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.5 | -26.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R733 D735 R741 | R733-A737 VanDerWaalsContact O-CB 3.32Å; R733-A737 WeakPolarHBondContact O-CB 3.48Å; R733-A737 PolarHBondContact O-N 3.03Å; D735-A737 VanDerWaalsContact C-N 3.27Å; D735-A737 PolarHBondContact O-N 3.23Å; A737-R741 WeakPolarHBondContact O-CD 3.35Å; A737-R741 WeakPolarHBondContact O-CG 3.41Å; A737-R741 PolarHBondContact O-N 3Å; A737-R741 PolarHBondContact O-NE 3.47Å |
| 738 | N | 84.7 | Confident | 76.4 | Confident | 83 Ų | 83 | 79.1 Ų | 79.1 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -79.3 | -43.3 | 176.2 | -70.5 | -27.2 | 0 | 0 | 0 | 111.9 | I734 D735 L736 L740 R741 E742 | I734-N738 PolarHBondContact O-N 2.88Å; I734-N738 PolarHBondContact O-ND2 3.09Å; I734-N738 VanDerWaalsContact O-ND2 3.09Å; D735-N738 CarbonylContact O-C 3.6Å; D735-N738 WeakPolarHBondContact O-CA 3.49Å; D735-N738 WeakPolarHBondContact O-CB 3.46Å; D735-N738 PolarHBondContact O-N 2.94Å; L736-N738 VanDerWaalsContact C-N 3.25Å; L736-N738 PolarHBondContact O-N 3.18Å; N738-L740 VanDerWaalsContact C-N 3.33Å; N738-L740 PolarHBondContact O-N 2.9Å; N738-R741 WeakPolarHBondContact O-CB 3.27Å; N738-R741 PolarHBondContact O-N 3.38Å; N738-R741 VanDerWaalsContact O-N 3.11Å; N738-E742 PolarHBondContact O-N 3.1Å; N738-E742 VanDerWaalsContact O-N 3.08Å |
| 739 | T | 87.4 | Confident | 79 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 38% | 0.38 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 172.1 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | D735 L736 R741 E742 Q743 | D735-T739 PolarHBondContact O-N 3.45Å; D735-T739 PolarHBondContact O-OG1 3Å; L736-T739 PolarHBondContact O-N 2.9Å; T739-R741 VanDerWaalsContact C-N 3.31Å; T739-R741 PolarHBondContact O-N 2.94Å; T739-E742 PolarHBondContact O-N 3.05Å; T739-Q743 WeakPolarHBondContact O-CG 3.46Å; T739-Q743 PolarHBondContact O-N 3.49Å |
| 740 | L | 91 | Very high | 81.6 | Confident | 13 Ų | 13 | 75.4 Ų | 75.4 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.6 | -32.6 | 175.6 | -70.8 | 166.9 | 0 | 0 | 0 | 112.9 | L736 N738 V744 L798 E799 L802 | L736-L740 HydrophobicContact CD1-CD1 4.04Å; L736-L740 HydrophobicContact CD1-CG 4.31Å; L736-L740 HydrophobicContact CG-CD1 3.93Å; L736-L740 WeakPolarHBondContact O-CB 3.21Å; L736-L740 WeakPolarHBondContact O-CD1 3.19Å; L736-L740 WeakPolarHBondContact O-CG 3.31Å; L736-L740 PolarHBondContact O-N 3.35Å; N738-L740 VanDerWaalsContact C-N 3.33Å; N738-L740 PolarHBondContact O-N 2.9Å; L740-V744 WeakPolarHBondContact O-CB 3.34Å; L740-V744 WeakPolarHBondContact O-CG2 3.33Å; L740-V744 PolarHBondContact O-N 2.99Å; L740-V744 VanDerWaalsContact O-N 3.1Å; L740-L798 HydrophobicContact CB-CB 3.8Å; L740-L798 HydrophobicContact CB-CD1 3.91Å; L740-L798 HydrophobicContact CB-CG 4.45Å; L740-E799 HydrophobicContact CD1-CG 3.78Å; L740-E799 WeakPolarHBondContact CD1-OE1 3.38Å; L740-E799 HydrophobicContact CD2-CG 3.99Å; L740-L802 HydrophobicContact CD2-CD1 3.65Å |
| 741 | R | 93.1 | Very high | 83.9 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 173.7 | -78.6 | 165.6 | -153.1 | -49.3 | -1.5 | 111.7 | A737 N738 T739 Q745 P790 F793 L798 | A737-R741 WeakPolarHBondContact O-CD 3.35Å; A737-R741 WeakPolarHBondContact O-CG 3.41Å; A737-R741 PolarHBondContact O-N 3Å; A737-R741 PolarHBondContact O-NE 3.47Å; N738-R741 WeakPolarHBondContact O-CB 3.27Å; N738-R741 PolarHBondContact O-N 3.38Å; N738-R741 VanDerWaalsContact O-N 3.11Å; T739-R741 VanDerWaalsContact C-N 3.31Å; T739-R741 PolarHBondContact O-N 2.94Å; R741-Q745 WeakPolarHBondContact O-CB 3.36Å; R741-Q745 PolarHBondContact O-N 3.33Å; R741-P790 HydrophobicContact CB-CB 4.43Å; R741-P790 PolarHBondContact NH1-O 3.18Å; R741-P790 WeakPolarHBondContact O-CB 3.45Å; R741-F793 PolarHBondContact NH1-O 2.84Å; R741-F793 PolarHBondContact NH2-O 2.8Å; R741-F793 VanDerWaalsContact NH2-O 3.11Å; R741-L798 HydrophobicContact CG-CD1 3.73Å |
| 742 | E | 92.4 | Very high | 85.8 | Confident | 135 Ų | 135 | 63.5 Ų | 63.5 | 63% | 0.631 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.7 | -48.7 | 179.9 | -170.2 | 161.3 | -139 | 0 | 0 | 110.7 | N738 T739 V744 Q745 D746 | N738-E742 PolarHBondContact O-N 3.1Å; N738-E742 VanDerWaalsContact O-N 3.08Å; T739-E742 PolarHBondContact O-N 3.05Å; E742-V744 PolarHBondContact O-N 2.86Å; E742-Q745 WeakPolarHBondContact O-CB 3.44Å; E742-Q745 PolarHBondContact O-N 3.41Å; E742-Q745 VanDerWaalsContact O-N 3.08Å; E742-D746 PolarHBondContact O-N 2.96Å |
| 743 | Q | 92.6 | Very high | 87.2 | Confident | 98 Ų | 98 | 60.7 Ų | 60.7 | 46% | 0.458 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.1 | -46.6 | 175.6 | -71.2 | 174.1 | -13.3 | 0 | 0 | 112.9 | T739 D746 L747 L802 | T739-Q743 WeakPolarHBondContact O-CG 3.46Å; T739-Q743 PolarHBondContact O-N 3.49Å; Q743-D746 PolarHBondContact O-N 2.81Å; Q743-L747 WeakPolarHBondContact O-CB 3.39Å; Q743-L747 PolarHBondContact O-N 3.38Å; Q743-L802 HydrophobicContact CB-CD1 4.05Å; Q743-L802 HydrophobicContact CB-CD2 4.11Å |
| 744 | V | 94.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.7 | -32.5 | 176.8 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | L740 E742 F748 P790 L798 I801 L802 | L740-V744 WeakPolarHBondContact O-CB 3.34Å; L740-V744 WeakPolarHBondContact O-CG2 3.33Å; L740-V744 PolarHBondContact O-N 2.99Å; L740-V744 VanDerWaalsContact O-N 3.1Å; E742-V744 PolarHBondContact O-N 2.86Å; V744-F748 HydrophobicContact CG1-CD2 3.9Å; V744-F748 HydrophobicContact CG1-CE1 4.26Å; V744-F748 HydrophobicContact CG1-CE2 3.59Å; V744-F748 HydrophobicContact CG1-CG 4.39Å; V744-F748 HydrophobicContact CG1-CZ 3.79Å; V744-F748 WeakPolarHBondContact O-CB 3.34Å; V744-F748 VanDerWaalsContact O-CG 3.31Å; V744-F748 WeakPolarHBondContact O-CG 3.5Å; V744-F748 PolarHBondContact O-N 2.84Å; V744-P790 HydrophobicContact CB-CB 4.31Å; V744-P790 HydrophobicContact CB-CG 4.32Å; V744-P790 HydrophobicContact CG1-CB 4.29Å; V744-P790 HydrophobicContact CG1-CG 3.97Å; V744-L798 HydrophobicContact CB-CD2 3.83Å; V744-L798 HydrophobicContact CG1-CD2 4.11Å; V744-L798 HydrophobicContact CG2-CB 3.97Å; V744-L798 HydrophobicContact CG2-CD2 3.76Å; V744-I801 HydrophobicContact CG1-CB 4.33Å; V744-I801 HydrophobicContact CG1-CD1 4.25Å; V744-I801 HydrophobicContact CG1-CG2 3.68Å; V744-I801 HydrophobicContact CG2-CB 4.3Å; V744-I801 HydrophobicContact CG2-CG2 4.21Å; V744-L802 HydrophobicContact CG2-CD1 4.18Å; V744-L802 HydrophobicContact CG2-CD2 3.6Å; V744-L802 HydrophobicContact CG2-CG 3.59Å |
| 745 | Q | 93.8 | Very high | 89.2 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 175.3 | -177.6 | 55.9 | 87.2 | 0 | 0 | 111.4 | R741 E742 F748 N749 Y766 P790 | R741-Q745 WeakPolarHBondContact O-CB 3.36Å; R741-Q745 PolarHBondContact O-N 3.33Å; E742-Q745 WeakPolarHBondContact O-CB 3.44Å; E742-Q745 PolarHBondContact O-N 3.41Å; E742-Q745 VanDerWaalsContact O-N 3.08Å; Q745-F748 PolarHBondContact O-N 2.7Å; Q745-N749 PolarHBondContact NE2-ND2 2.81Å; Q745-N749 PolarHBondContact NE2-OD1 2.96Å; Q745-N749 WeakPolarHBondContact O-CB 3.39Å; Q745-N749 PolarHBondContact O-N 3.3Å; Q745-N749 PolarHBondContact O-ND2 3.45Å; Q745-N749 VanDerWaalsContact O-ND2 3.08Å; Q745-N749 PolarHBondContact O-OD1 3.17Å; Q745-Y766 PolarHBondContact NE2-OH 2.83Å; Q745-Y766 PolarHBondContact OE1-OH 3.04Å; Q745-P790 HydrophobicContact CB-CB 4.46Å; Q745-P790 HydrophobicContact CB-CG 3.94Å |
| 746 | D | 92.4 | Very high | 89.5 | Confident | 76 Ų | 76 | 49.7 Ų | 49.7 | 41% | 0.406 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -77.1 | -32.8 | 178.6 | -81.5 | -7.2 | 0 | 0 | 0 | 113.3 | E742 Q743 N749 R750 | E742-D746 PolarHBondContact O-N 2.96Å; Q743-D746 PolarHBondContact O-N 2.81Å; D746-N749 PolarHBondContact O-N 2.91Å; D746-N749 PolarHBondContact OD1-ND2 2.99Å; D746-R750 WeakPolarHBondContact O-CB 3.46Å; D746-R750 PolarHBondContact O-N 2.77Å |
| 747 | L | 93.6 | Very high | 89.5 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.1 | -52.3 | 166.6 | 172.9 | 63 | 0 | 0 | 0 | 110.9 | Q743 N749 R750 K751 I801 L802 A805 I808 | Q743-L747 WeakPolarHBondContact O-CB 3.39Å; Q743-L747 PolarHBondContact O-N 3.38Å; L747-N749 PolarHBondContact O-N 3.28Å; L747-R750 PolarHBondContact O-N 2.78Å; L747-K751 HydrophobicContact CD1-CG 3.92Å; L747-K751 WeakPolarHBondContact O-CG 3.41Å; L747-K751 PolarHBondContact O-N 2.91Å; L747-I801 HydrophobicContact CD2-CG2 4.37Å; L747-L802 HydrophobicContact CD2-CD2 4.05Å; L747-A805 HydrophobicContact CD1-CB 3.81Å; L747-A805 HydrophobicContact CD2-CB 3.56Å; L747-A805 HydrophobicContact CG-CB 4.35Å; L747-I808 HydrophobicContact CD2-CD1 4.39Å |
| 748 | F | 93.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 178.2 | -71.7 | -19.2 | 0 | 0 | 0 | 112.2 | V744 Q745 R750 Y752 V764 Y766 L781 F787 P790 I801 I808 F810 | V744-F748 HydrophobicContact CG1-CD2 3.9Å; V744-F748 HydrophobicContact CG1-CE1 4.26Å; V744-F748 HydrophobicContact CG1-CE2 3.59Å; V744-F748 HydrophobicContact CG1-CG 4.39Å; V744-F748 HydrophobicContact CG1-CZ 3.79Å; V744-F748 WeakPolarHBondContact O-CB 3.34Å; V744-F748 VanDerWaalsContact O-CG 3.31Å; V744-F748 WeakPolarHBondContact O-CG 3.5Å; V744-F748 PolarHBondContact O-N 2.84Å; Q745-F748 PolarHBondContact O-N 2.7Å; F748-R750 VanDerWaalsContact C-N 3.34Å; F748-R750 PolarHBondContact O-N 3.39Å; F748-Y752 WeakPolarHBondContact O-CB 3.48Å; F748-Y752 PolarHBondContact O-N 3.26Å; F748-V764 HydrophobicContact CB-CG2 4.08Å; F748-V764 VanDerWaalsContact O-CG2 3.3Å; F748-V764 WeakPolarHBondContact O-CG2 3.47Å; F748-Y766 HydrophobicContact CD2-CE1 4.26Å; F748-L781 HydrophobicContact CE1-CD2 4Å; F748-L781 HydrophobicContact CZ-CD2 4.03Å; F748-F787 HydrophobicContact CD2-CE2 4.13Å; F748-F787 HydrophobicContact CE1-CE2 4.48Å; F748-F787 HydrophobicContact CE2-CD2 4.47Å; F748-F787 HydrophobicContact CE2-CE2 4.02Å; F748-F787 HydrophobicContact CG-CE2 4.39Å; F748-F787 HydrophobicContact CZ-CD2 4.37Å; F748-F787 HydrophobicContact CZ-CE2 4.2Å; F748-P790 HydrophobicContact CD2-CG 3.97Å; F748-P790 HydrophobicContact CE2-CG 4.22Å; F748-I801 HydrophobicContact CE1-CG2 3.81Å; F748-I801 HydrophobicContact CZ-CD1 4.31Å; F748-I801 HydrophobicContact CZ-CG2 3.8Å; F748-I808 HydrophobicContact CE1-CD1 4.33Å; F748-I808 HydrophobicContact CE1-CG2 4.37Å; F748-F810 HydrophobicContact CB-CZ 4.32Å; F748-F810 HydrophobicContact CD1-CE2 4.35Å; F748-F810 HydrophobicContact CD1-CZ 4.21Å; F748-F810 HydrophobicContact CG-CZ 4.41Å |
| 749 | N | 92 | Very high | 89 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 175.8 | -67 | -29.7 | 0 | 0 | 0 | 112.1 | Q745 D746 L747 G753 P761 V762 Q763 V764 | Q745-N749 PolarHBondContact NE2-ND2 2.81Å; Q745-N749 PolarHBondContact NE2-OD1 2.96Å; Q745-N749 WeakPolarHBondContact O-CB 3.39Å; Q745-N749 PolarHBondContact O-N 3.3Å; Q745-N749 PolarHBondContact O-ND2 3.45Å; Q745-N749 VanDerWaalsContact O-ND2 3.08Å; Q745-N749 PolarHBondContact O-OD1 3.17Å; D746-N749 PolarHBondContact O-N 2.91Å; D746-N749 PolarHBondContact OD1-ND2 2.99Å; L747-N749 PolarHBondContact O-N 3.28Å; N749-G753 PolarHBondContact O-N 3.14Å; N749-P761 HydrophobicContact CB-CB 3.71Å; N749-P761 WeakPolarHBondContact O-CA 3.29Å; N749-V762 VanDerWaalsContact CA-O 3.25Å; N749-V762 WeakPolarHBondContact CA-O 3.11Å; N749-V762 WeakPolarHBondContact CB-O 3.44Å; N749-V762 PolarHBondContact O-N 3.43Å; N749-V762 PolarHBondContact OD1-O 3.41Å; N749-Q763 WeakPolarHBondContact OD1-CA 3.11Å; N749-V764 PolarHBondContact OD1-N 3.16Å |
| 750 | R | 92.1 | Very high | 88.5 | Confident | 142 Ų | 142 | 62.7 Ų | 62.7 | 54% | 0.536 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.7 | -53.7 | 179.8 | -162.7 | -170.2 | -56 | 171.1 | 3.5 | 111.3 | D746 L747 F748 Y752 G753 E754 P761 | D746-R750 WeakPolarHBondContact O-CB 3.46Å; D746-R750 PolarHBondContact O-N 2.77Å; L747-R750 PolarHBondContact O-N 2.78Å; F748-R750 VanDerWaalsContact C-N 3.34Å; F748-R750 PolarHBondContact O-N 3.39Å; R750-Y752 VanDerWaalsContact C-N 3.28Å; R750-Y752 PolarHBondContact O-N 2.96Å; R750-G753 CarbonylContact O-C 3.58Å; R750-G753 WeakPolarHBondContact O-CA 3.31Å; R750-G753 PolarHBondContact O-N 2.82Å; R750-E754 WeakPolarHBondContact CG-OE1 3.32Å; R750-E754 WeakPolarHBondContact O-CG 3.47Å; R750-E754 PolarHBondContact O-N 3.31Å; R750-P761 HydrophobicContact CB-CB 4.45Å |
| 751 | K | 91.4 | Very high | 88 | Confident | 37 Ų | 37 | 65.8 Ų | 65.8 | 16% | 0.161 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -33.7 | 177.2 | -66.4 | -62.5 | -162.7 | 166.2 | 0 | 112.9 | L747 E754 A755 A805 D806 I808 F810 | L747-K751 HydrophobicContact CD1-CG 3.92Å; L747-K751 WeakPolarHBondContact O-CG 3.41Å; L747-K751 PolarHBondContact O-N 2.91Å; K751-E754 VanDerWaalsContact CD-OE2 3.28Å; K751-E754 WeakPolarHBondContact CD-OE2 3.3Å; K751-E754 IonicContact NZ-OE2 3.37Å; K751-A755 WeakPolarHBondContact O-CB 3.36Å; K751-A755 PolarHBondContact O-N 3.34Å; K751-A755 VanDerWaalsContact O-N 3.11Å; K751-A805 WeakPolarHBondContact CE-O 3.09Å; K751-D806 PolarHBondContact NZ-O 3.33Å; K751-I808 VanDerWaalsContact CD-O 3.26Å; K751-I808 WeakPolarHBondContact CD-O 3.32Å; K751-I808 WeakPolarHBondContact CE-O 3.49Å; K751-I808 PolarHBondContact NZ-O 2.67Å; K751-F810 HydrophobicContact CB-CD2 3.67Å; K751-F810 HydrophobicContact CB-CE2 3.75Å |
| 752 | Y | 90.2 | Very high | 87.7 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -75.7 | -29.8 | 173.5 | -176.3 | -103 | 0 | 0 | 0 | 113.1 | F748 R750 L756 V762 V764 P765 I769 V776 F810 I812 | F748-Y752 WeakPolarHBondContact O-CB 3.48Å; F748-Y752 PolarHBondContact O-N 3.26Å; R750-Y752 VanDerWaalsContact C-N 3.28Å; R750-Y752 PolarHBondContact O-N 2.96Å; Y752-L756 HydrophobicContact CD1-CD1 4.04Å; Y752-L756 HydrophobicContact CE1-CD1 3.57Å; Y752-L756 HydrophobicContact CE1-CG 4.48Å; Y752-L756 WeakPolarHBondContact O-CG 3.35Å; Y752-L756 PolarHBondContact O-N 3.21Å; Y752-V762 HydrophobicContact CD1-CB 4.11Å; Y752-V762 HydrophobicContact CD1-CG1 4.06Å; Y752-V762 HydrophobicContact CE1-CG1 4Å; Y752-V764 HydrophobicContact CD1-CG2 4.17Å; Y752-V764 HydrophobicContact CD2-CG1 4.42Å; Y752-V764 HydrophobicContact CG-CG1 4.39Å; Y752-V764 HydrophobicContact CG-CG2 3.96Å; Y752-P765 VanDerWaalsContact CE1-CD 3.5Å; Y752-P765 HydrophobicContact CE1-CG 4.34Å; Y752-P765 VanDerWaalsContact CZ-CD 3.4Å; Y752-P765 WeakPolarHBondContact OH-CD 3.15Å; Y752-P765 WeakPolarHBondContact OH-CG 3.45Å; Y752-I769 HydrophobicContact CE2-CD1 4.48Å; Y752-V776 HydrophobicContact CE2-CG1 4.47Å; Y752-V776 HydrophobicContact CE2-CG2 4.47Å; Y752-F810 HydrophobicContact CD2-CB 4.5Å; Y752-F810 AromaticContact CD2-CD1 3.89Å; Y752-F810 HydrophobicContact CD2-CD1 3.89Å; Y752-F810 HydrophobicContact CD2-CE1 4.35Å; Y752-F810 HydrophobicContact CD2-CG 4.27Å; Y752-I812 HydrophobicContact CD2-CD1 4.22Å; Y752-I812 HydrophobicContact CE2-CD1 3.77Å; Y752-I812 HydrophobicContact CE2-CG1 4.46Å |
| 753 | G | 86.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.8 | -47.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N749 R750 A755 L756 G757 I758 | N749-G753 PolarHBondContact O-N 3.14Å; R750-G753 CarbonylContact O-C 3.58Å; R750-G753 WeakPolarHBondContact O-CA 3.31Å; R750-G753 PolarHBondContact O-N 2.82Å; G753-A755 VanDerWaalsContact C-N 3.3Å; G753-A755 PolarHBondContact O-N 2.89Å; G753-L756 CarbonylContact O-C 3.51Å; G753-L756 WeakPolarHBondContact O-CA 3.41Å; G753-L756 WeakPolarHBondContact O-CB 3.48Å; G753-L756 PolarHBondContact O-N 3.44Å; G753-G757 PolarHBondContact O-N 3.41Å; G753-I758 CarbonylContact C-O 3.6Å; G753-I758 PolarHBondContact O-N 3.04Å |
| 754 | E | 88.1 | Confident | 87.4 | Confident | 103 Ų | 103 | 61.5 Ų | 61.5 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -52.6 | -47.1 | 173 | -71 | 163.4 | -150.1 | 0 | 0 | 111.2 | R750 K751 L756 G757 | R750-E754 WeakPolarHBondContact CG-OE1 3.32Å; R750-E754 WeakPolarHBondContact O-CG 3.47Å; R750-E754 PolarHBondContact O-N 3.31Å; K751-E754 VanDerWaalsContact CD-OE2 3.28Å; K751-E754 WeakPolarHBondContact CD-OE2 3.3Å; K751-E754 IonicContact NZ-OE2 3.37Å; E754-L756 PolarHBondContact O-N 3Å; E754-G757 PolarHBondContact O-N 2.89Å |
| 755 | A | 84.8 | Confident | 87 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 31% | 0.306 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | K751 G753 F810 I812 | K751-A755 WeakPolarHBondContact O-CB 3.36Å; K751-A755 PolarHBondContact O-N 3.34Å; K751-A755 VanDerWaalsContact O-N 3.11Å; G753-A755 VanDerWaalsContact C-N 3.3Å; G753-A755 PolarHBondContact O-N 2.89Å; A755-F810 HydrophobicContact CB-CB 3.67Å; A755-F810 WeakPolarHBondContact CB-O 3.29Å; A755-I812 HydrophobicContact CB-CD1 3.98Å; A755-I812 HydrophobicContact CB-CG1 4.18Å |
| 756 | L | 81.7 | Confident | 86.7 | Confident | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -1 | 171.4 | -73.7 | 169.4 | 0 | 0 | 0 | 112.8 | Y752 G753 E754 I758 V762 I812 I820 | Y752-L756 HydrophobicContact CD1-CD1 4.04Å; Y752-L756 HydrophobicContact CE1-CD1 3.57Å; Y752-L756 HydrophobicContact CE1-CG 4.48Å; Y752-L756 WeakPolarHBondContact O-CG 3.35Å; Y752-L756 PolarHBondContact O-N 3.21Å; G753-L756 CarbonylContact O-C 3.51Å; G753-L756 WeakPolarHBondContact O-CA 3.41Å; G753-L756 WeakPolarHBondContact O-CB 3.48Å; G753-L756 PolarHBondContact O-N 3.44Å; E754-L756 PolarHBondContact O-N 3Å; L756-I758 VanDerWaalsContact C-N 3.27Å; L756-I758 HydrophobicContact CB-CB 4.42Å; L756-I758 HydrophobicContact CB-CD1 3.81Å; L756-I758 HydrophobicContact CB-CG1 3.94Å; L756-I758 HydrophobicContact CD1-CD1 4.23Å; L756-V762 HydrophobicContact CD1-CB 4.28Å; L756-V762 HydrophobicContact CD1-CG1 3.88Å; L756-V762 HydrophobicContact CD1-CG2 4.36Å; L756-I812 HydrophobicContact CD2-CD1 3.49Å; L756-I812 VanDerWaalsContact CD2-CD1 3.49Å; L756-I812 HydrophobicContact CG-CD1 3.59Å; L756-I820 HydrophobicContact CD2-CD1 3.63Å; L756-I820 HydrophobicContact CD2-CG1 3.93Å |
| 757 | G | 80.4 | Confident | 86.3 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 75% | 0.753 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 17.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G753 E754 | G753-G757 PolarHBondContact O-N 3.41Å; E754-G757 PolarHBondContact O-N 2.89Å |
| 758 | I | 80.1 | Confident | 85.6 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | trans | -103.1 | 120.2 | -173.8 | -62.6 | 174.9 | 0 | 0 | 0 | 109.6 | G753 L756 Y760 V762 | G753-I758 CarbonylContact C-O 3.6Å; G753-I758 PolarHBondContact O-N 3.04Å; L756-I758 VanDerWaalsContact C-N 3.27Å; L756-I758 HydrophobicContact CB-CB 4.42Å; L756-I758 HydrophobicContact CB-CD1 3.81Å; L756-I758 HydrophobicContact CB-CG1 3.94Å; L756-I758 HydrophobicContact CD1-CD1 4.23Å; I758-Y760 HydrophobicContact CG2-CD2 3.39Å; I758-Y760 HydrophobicContact CG2-CE1 4.44Å; I758-Y760 HydrophobicContact CG2-CE2 3.29Å; I758-Y760 HydrophobicContact CG2-CG 4.04Å; I758-Y760 PolarHBondContact O-N 2.8Å; I758-V762 HydrophobicContact CB-CG2 4.04Å; I758-V762 HydrophobicContact CD1-CG2 3.97Å; I758-V762 HydrophobicContact CG2-CG2 3.76Å | ||
| 759 | K | 76.7 | Confident | 85.2 | Confident | 215 Ų | 215 | 69.7 Ų | 69.7 | 94% | 0.935 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -67.3 | -0.1 | -174.6 | -106.1 | -174.6 | 177.9 | -178.3 | 0 | 116.1 | ||
| 760 | Y | 77.1 | Confident | 84.7 | Confident | 168 Ų | 168 | 76.9 Ų | 76.9 | 66% | 0.659 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -135.4 | 150.5 | -176.5 | 32.5 | -97.2 | 0 | 0 | 0 | 110.6 | I758 V762 | I758-Y760 HydrophobicContact CG2-CD2 3.39Å; I758-Y760 HydrophobicContact CG2-CE1 4.44Å; I758-Y760 HydrophobicContact CG2-CE2 3.29Å; I758-Y760 HydrophobicContact CG2-CG 4.04Å; I758-Y760 PolarHBondContact O-N 2.8Å; Y760-V762 WeakPolarHBondContact O-CG2 3.39Å; Y760-V762 PolarHBondContact O-N 3.23Å |
| 761 | P | 81 | Confident | 84.1 | Confident | 79 Ų | 79 | 75.2 Ų | 75.2 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | trans | -61.1 | 128.4 | -172.3 | 22.7 | -33.4 | 0 | 0 | 0 | 112.6 | N749 R750 | N749-P761 HydrophobicContact CB-CB 3.71Å; N749-P761 WeakPolarHBondContact O-CA 3.29Å; R750-P761 HydrophobicContact CB-CB 4.45Å | ||
| 762 | V | 86.1 | Confident | 83.3 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | trans | -109.4 | 132.4 | -178.1 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | N749 Y752 L756 I758 Y760 V764 | N749-V762 VanDerWaalsContact CA-O 3.25Å; N749-V762 WeakPolarHBondContact CA-O 3.11Å; N749-V762 WeakPolarHBondContact CB-O 3.44Å; N749-V762 PolarHBondContact O-N 3.43Å; N749-V762 PolarHBondContact OD1-O 3.41Å; Y752-V762 HydrophobicContact CD1-CB 4.11Å; Y752-V762 HydrophobicContact CD1-CG1 4.06Å; Y752-V762 HydrophobicContact CE1-CG1 4Å; L756-V762 HydrophobicContact CD1-CB 4.28Å; L756-V762 HydrophobicContact CD1-CG1 3.88Å; L756-V762 HydrophobicContact CD1-CG2 4.36Å; I758-V762 HydrophobicContact CB-CG2 4.04Å; I758-V762 HydrophobicContact CD1-CG2 3.97Å; I758-V762 HydrophobicContact CG2-CG2 3.76Å; Y760-V762 WeakPolarHBondContact O-CG2 3.39Å; Y760-V762 PolarHBondContact O-N 3.23Å; V762-V764 PolarHBondContact O-N 3.36Å | ||
| 763 | Q | 89.2 | Confident | 82.4 | Confident | 168 Ų | 168 | 80.9 Ų | 80.9 | 79% | 0.785 | 41% | 0.41 | S | S | * | . | trans | -61.6 | 120.2 | -177.4 | -177.5 | 173.7 | 77.5 | 0 | 0 | 112.4 | N749 P765 | N749-Q763 WeakPolarHBondContact OD1-CA 3.11Å; Q763-P765 WeakPolarHBondContact O-CD 3.49Å | ||
| 764 | V | 89.8 | Confident | 81.9 | Confident | 5 Ų | 5 | 87.3 Ų | 87.3 | 3% | 0.03 | 44% | 0.444 | C | S | . | . | trans | -70.2 | 125.3 | -176 | -171.6 | 0 | 0 | 0 | 0 | 112.6 | F748 N749 Y752 V762 Y766 I769 F787 F810 | F748-V764 HydrophobicContact CB-CG2 4.08Å; F748-V764 VanDerWaalsContact O-CG2 3.3Å; F748-V764 WeakPolarHBondContact O-CG2 3.47Å; N749-V764 PolarHBondContact OD1-N 3.16Å; Y752-V764 HydrophobicContact CD1-CG2 4.17Å; Y752-V764 HydrophobicContact CD2-CG1 4.42Å; Y752-V764 HydrophobicContact CG-CG1 4.39Å; Y752-V764 HydrophobicContact CG-CG2 3.96Å; V762-V764 PolarHBondContact O-N 3.36Å; V764-Y766 VanDerWaalsContact C-N 3.26Å; V764-Y766 HydrophobicContact CB-CD2 4.29Å; V764-Y766 HydrophobicContact CB-CE1 4.31Å; V764-Y766 HydrophobicContact CB-CE2 3.89Å; V764-Y766 HydrophobicContact CG1-CD1 4.3Å; V764-Y766 HydrophobicContact CG1-CE1 4.19Å; V764-Y766 HydrophobicContact CG1-CE2 4.47Å; V764-Y766 HydrophobicContact CG1-CG 4.48Å; V764-Y766 WeakPolarHBondContact O-CD2 3.38Å; V764-Y766 WeakPolarHBondContact O-CE2 3.46Å; V764-Y766 PolarHBondContact O-N 3.05Å; V764-I769 HydrophobicContact CG1-CD1 3.6Å; V764-F787 HydrophobicContact CG1-CE1 4.45Å; V764-F787 HydrophobicContact CG1-CZ 3.89Å; V764-F810 HydrophobicContact CG1-CE1 4.33Å | ||
| 765 | P | 86.4 | Confident | 81.3 | Confident | 19 Ų | 19 | 83.1 Ų | 83.1 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | trans | -84.5 | 60.3 | -176.7 | 34.7 | -36.7 | 0 | 0 | 0 | 112.6 | Y752 Q763 K767 R768 I769 F816 L819 | Y752-P765 VanDerWaalsContact CE1-CD 3.5Å; Y752-P765 HydrophobicContact CE1-CG 4.34Å; Y752-P765 VanDerWaalsContact CZ-CD 3.4Å; Y752-P765 WeakPolarHBondContact OH-CD 3.15Å; Y752-P765 WeakPolarHBondContact OH-CG 3.45Å; Q763-P765 WeakPolarHBondContact O-CD 3.49Å; P765-K767 PolarHBondContact O-N 2.97Å; P765-R768 HydrophobicContact CB-CB 4.38Å; P765-R768 HydrophobicContact CB-CG 4.47Å; P765-R768 PolarHBondContact O-N 3.42Å; P765-I769 HydrophobicContact CG-CD1 4.3Å; P765-I769 HydrophobicContact CG-CG1 4.4Å; P765-I769 PolarHBondContact O-N 3.45Å; P765-F816 HydrophobicContact CG-CD2 3.85Å; P765-F816 HydrophobicContact CG-CE2 4.04Å; P765-L819 HydrophobicContact CB-CD1 3.65Å; P765-L819 HydrophobicContact CG-CD1 4.18Å | ||
| 766 | Y | 87.8 | Confident | 81.3 | Confident | 21 Ų | 21 | 81.4 Ų | 81.4 | 8% | 0.082 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -43.5 | -37.3 | -174.3 | -60.7 | -84.4 | 0 | 0 | 0 | 115.7 | Q745 F748 V764 K770 F787 K789 P790 | Q745-Y766 PolarHBondContact NE2-OH 2.83Å; Q745-Y766 PolarHBondContact OE1-OH 3.04Å; F748-Y766 HydrophobicContact CD2-CE1 4.26Å; V764-Y766 VanDerWaalsContact C-N 3.26Å; V764-Y766 HydrophobicContact CB-CD2 4.29Å; V764-Y766 HydrophobicContact CB-CE1 4.31Å; V764-Y766 HydrophobicContact CB-CE2 3.89Å; V764-Y766 HydrophobicContact CG1-CD1 4.3Å; V764-Y766 HydrophobicContact CG1-CE1 4.19Å; V764-Y766 HydrophobicContact CG1-CE2 4.47Å; V764-Y766 HydrophobicContact CG1-CG 4.48Å; V764-Y766 WeakPolarHBondContact O-CD2 3.38Å; V764-Y766 WeakPolarHBondContact O-CE2 3.46Å; V764-Y766 PolarHBondContact O-N 3.05Å; Y766-K770 WeakPolarHBondContact O-CB 3.32Å; Y766-K770 PolarHBondContact O-N 2.91Å; Y766-F787 AromaticContact CD1-CE1 3.76Å; Y766-F787 HydrophobicContact CD1-CE1 3.76Å; Y766-F787 HydrophobicContact CD1-CE2 4.46Å; Y766-F787 AromaticContact CD1-CZ 3.59Å; Y766-F787 HydrophobicContact CD1-CZ 3.59Å; Y766-F787 HydrophobicContact CE1-CE1 4.15Å; Y766-F787 HydrophobicContact CE1-CE2 4.05Å; Y766-F787 AromaticContact CE1-CZ 3.49Å; Y766-F787 HydrophobicContact CE1-CZ 3.49Å; Y766-F787 VanDerWaalsContact CE1-CZ 3.49Å; Y766-K789 HydrophobicContact CD1-CG 4Å; Y766-K789 HydrophobicContact CD2-CD 4.3Å; Y766-K789 HydrophobicContact CD2-CG 3.59Å; Y766-K789 HydrophobicContact CE1-CG 4.37Å; Y766-K789 HydrophobicContact CE2-CG 3.98Å; Y766-K789 HydrophobicContact CG-CG 3.6Å; Y766-P790 WeakPolarHBondContact OH-CD 3.48Å |
| 767 | K | 82.7 | Confident | 81.5 | Confident | 169 Ų | 169 | 83.3 Ų | 83.3 | 74% | 0.735 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71 | -32.3 | 179.4 | -170.7 | 179.1 | 178.8 | -175.9 | 0 | 112.9 | P765 N771 | P765-K767 PolarHBondContact O-N 2.97Å; K767-N771 WeakPolarHBondContact O-CB 3.42Å; K767-N771 PolarHBondContact O-N 3.44Å; K767-N771 PolarHBondContact O-OD1 3.48Å |
| 768 | R | 79.6 | Confident | 81.9 | Confident | 102 Ų | 102 | 81.6 Ų | 81.6 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -75.3 | -43.8 | 176.6 | -63.9 | -168.5 | -178.3 | -165.1 | 2.9 | 110.9 | P765 N771 N772 F816 Q817 | P765-R768 HydrophobicContact CB-CB 4.38Å; P765-R768 HydrophobicContact CB-CG 4.47Å; P765-R768 PolarHBondContact O-N 3.42Å; R768-N771 PolarHBondContact O-N 3.13Å; R768-N772 PolarHBondContact O-N 2.95Å; R768-N772 VanDerWaalsContact O-N 3.08Å; R768-N772 PolarHBondContact O-ND2 3.09Å; R768-N772 VanDerWaalsContact O-ND2 3.17Å; R768-F816 HydrophobicContact CB-CD1 3.96Å; R768-F816 HydrophobicContact CB-CD2 4.21Å; R768-F816 HydrophobicContact CB-CE1 3.72Å; R768-F816 HydrophobicContact CB-CE2 3.97Å; R768-F816 HydrophobicContact CB-CG 4.22Å; R768-F816 HydrophobicContact CB-CZ 3.73Å; R768-Q817 PolarHBondContact NH1-O 3.06Å |
| 769 | I | 85.4 | Confident | 82.3 | Confident | 6 Ų | 6 | 85.2 Ų | 85.2 | 3% | 0.031 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.3 | -51.9 | 176.1 | -60.8 | 171.3 | 0 | 0 | 0 | 110.8 | Y752 V764 P765 N771 N772 V776 I778 F787 F816 | Y752-I769 HydrophobicContact CE2-CD1 4.48Å; V764-I769 HydrophobicContact CG1-CD1 3.6Å; P765-I769 HydrophobicContact CG-CD1 4.3Å; P765-I769 HydrophobicContact CG-CG1 4.4Å; P765-I769 PolarHBondContact O-N 3.45Å; I769-N771 PolarHBondContact O-N 2.95Å; I769-N771 VanDerWaalsContact O-N 3.13Å; I769-N772 CarbonylContact O-C 3.59Å; I769-N772 PolarHBondContact O-N 3.08Å; I769-V776 HydrophobicContact CD1-CB 4.43Å; I769-V776 HydrophobicContact CD1-CG1 4.31Å; I769-V776 HydrophobicContact CG1-CB 4.14Å; I769-V776 HydrophobicContact CG1-CG2 4.16Å; I769-V776 HydrophobicContact CG2-CB 4.42Å; I769-I778 HydrophobicContact CG2-CD1 3.96Å; I769-F787 HydrophobicContact CB-CE1 4.4Å; I769-F787 HydrophobicContact CD1-CE1 3.95Å; I769-F787 HydrophobicContact CD1-CZ 4.48Å; I769-F787 HydrophobicContact CG2-CD1 3.97Å; I769-F787 HydrophobicContact CG2-CE1 3.92Å; I769-F816 HydrophobicContact CG1-CE2 3.63Å; I769-F816 HydrophobicContact CG1-CZ 3.98Å |
| 770 | K | 80.4 | Confident | 82.8 | Confident | 168 Ų | 168 | 76.7 Ų | 76.7 | 73% | 0.73 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58.2 | -30.8 | 179.2 | -165.7 | -157.8 | 168.3 | -160.5 | 0 | 113.1 | Y766 | Y766-K770 WeakPolarHBondContact O-CB 3.32Å; Y766-K770 PolarHBondContact O-N 2.91Å |
| 771 | N | 80.5 | Confident | 83.4 | Confident | 106 Ų | 106 | 70.6 Ų | 70.6 | 57% | 0.567 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -87.9 | -14.7 | -179.2 | -75.7 | 32.8 | 0 | 0 | 0 | 113.5 | K767 R768 I769 | K767-N771 WeakPolarHBondContact O-CB 3.42Å; K767-N771 PolarHBondContact O-N 3.44Å; K767-N771 PolarHBondContact O-OD1 3.48Å; R768-N771 PolarHBondContact O-N 3.13Å; I769-N771 PolarHBondContact O-N 2.95Å; I769-N771 VanDerWaalsContact O-N 3.13Å |
| 772 | N | 74.8 | Confident | 83.9 | Confident | 81 Ų | 81 | 67.3 Ų | 67.3 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | trans | -146.8 | 76.8 | -177.6 | -53.9 | -99.3 | 0 | 0 | 0 | 108.6 | R768 I769 D774 S775 F816 | R768-N772 PolarHBondContact O-N 2.95Å; R768-N772 VanDerWaalsContact O-N 3.08Å; R768-N772 PolarHBondContact O-ND2 3.09Å; R768-N772 VanDerWaalsContact O-ND2 3.17Å; I769-N772 CarbonylContact O-C 3.59Å; I769-N772 PolarHBondContact O-N 3.08Å; N772-D774 PolarHBondContact O-N 3.16Å; N772-S775 WeakPolarHBondContact O-CB 3.4Å; N772-S775 PolarHBondContact O-N 3.34Å; N772-F816 HydrophobicContact CB-CE1 4.49Å | ||
| 773 | P | 71.6 | Confident | 83.8 | Confident | 82 Ų | 82 | 71.8 Ų | 71.8 | 53% | 0.532 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -58.3 | -39.2 | -176.6 | 23.2 | -32.5 | 0 | 0 | 0 | 111.7 | S775 V776 | P773-S775 PolarHBondContact O-N 2.91Å; P773-V776 CarbonylContact O-C 3.55Å; P773-V776 PolarHBondContact O-N 2.81Å; P773-V776 VanDerWaalsContact O-N 3.12Å |
| 774 | D | 75.3 | Confident | 83.5 | Confident | 135 Ų | 135 | 67.8 Ų | 67.8 | 72% | 0.722 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -64.8 | -4 | -177.7 | -33.7 | -43.8 | 0 | 0 | 0 | 114.5 | N772 T813 | N772-D774 PolarHBondContact O-N 3.16Å; D774-T813 PolarHBondContact O-OG1 3.19Å |
| 775 | S | 76.8 | Confident | 83.4 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 10% | 0.098 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -93.4 | -26.4 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 113.9 | N772 P773 T813 R814 | N772-S775 WeakPolarHBondContact O-CB 3.4Å; N772-S775 PolarHBondContact O-N 3.34Å; P773-S775 PolarHBondContact O-N 2.91Å; S775-T813 PolarHBondContact O-N 3.47Å; S775-T813 PolarHBondContact O-OG1 2.89Å; S775-R814 PolarHBondContact O-N 3.3Å |
| 776 | V | 84.5 | Confident | 83.5 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.012 | 39% | 0.392 | C | S | . | . | trans | -148.1 | 104.8 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 109 | Y752 I769 P773 I778 F810 T811 I812 F816 | Y752-V776 HydrophobicContact CE2-CG1 4.47Å; Y752-V776 HydrophobicContact CE2-CG2 4.47Å; I769-V776 HydrophobicContact CD1-CB 4.43Å; I769-V776 HydrophobicContact CD1-CG1 4.31Å; I769-V776 HydrophobicContact CG1-CB 4.14Å; I769-V776 HydrophobicContact CG1-CG2 4.16Å; I769-V776 HydrophobicContact CG2-CB 4.42Å; P773-V776 CarbonylContact O-C 3.55Å; P773-V776 PolarHBondContact O-N 2.81Å; P773-V776 VanDerWaalsContact O-N 3.12Å; V776-I778 WeakPolarHBondContact O-CD1 3.16Å; V776-F810 HydrophobicContact CG1-CB 4.45Å; V776-F810 HydrophobicContact CG1-CD1 3.86Å; V776-T811 WeakPolarHBondContact CA-O 3.39Å; V776-I812 HydrophobicContact CG1-CG1 4.32Å; V776-I812 HydrophobicContact CG2-CG1 4.23Å; V776-I812 HydrophobicContact CG2-CG2 4.33Å; V776-F816 HydrophobicContact CG2-CD2 4.33Å; V776-F816 HydrophobicContact CG2-CE2 3.53Å; V776-F816 HydrophobicContact CG2-CZ 4Å | ||
| 777 | I | 84.7 | Confident | 83.6 | Confident | 76 Ų | 76 | 71.5 Ų | 71.5 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 141.6 | 171.5 | -54.3 | 172.9 | 0 | 0 | 0 | 107.9 | E779 F810 T811 T813 | I777-E779 HydrophobicContact CG2-CG 4.03Å; I777-F810 WeakPolarHBondContact O-CA 3.42Å; I777-T811 PolarHBondContact N-O 3.06Å; I777-T811 PolarHBondContact O-N 2.91Å; I777-T813 HydrophobicContact CD1-CG2 3.88Å; I777-T813 HydrophobicContact CG1-CG2 4.35Å |
| 778 | I | 89.9 | Confident | 83.9 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 19% | 0.185 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 120.3 | 174.3 | -49.6 | 90.9 | 0 | 0 | 0 | 107.7 | I769 V776 L781 F787 I808 S809 F810 | I769-I778 HydrophobicContact CG2-CD1 3.96Å; V776-I778 WeakPolarHBondContact O-CD1 3.16Å; I778-L781 HydrophobicContact CB-CD1 4.28Å; I778-L781 HydrophobicContact CG2-CD1 3.8Å; I778-L781 HydrophobicContact CG2-CG 4.02Å; I778-F787 HydrophobicContact CD1-CB 4.24Å; I778-F787 HydrophobicContact CD1-CD1 3.72Å; I778-F787 HydrophobicContact CD1-CD2 4.49Å; I778-F787 HydrophobicContact CD1-CE1 4.25Å; I778-F787 HydrophobicContact CD1-CG 3.87Å; I778-F787 HydrophobicContact CG1-CD1 4.25Å; I778-F787 HydrophobicContact CG1-CD2 4.23Å; I778-F787 HydrophobicContact CG1-CG 4.1Å; I778-F787 HydrophobicContact CG2-CD2 4.32Å; I778-I808 HydrophobicContact CG2-CG2 4.49Å; I778-S809 WeakPolarHBondContact CA-O 3.17Å; I778-S809 WeakPolarHBondContact CG2-O 3.28Å; I778-F810 HydrophobicContact CB-CD1 4.5Å; I778-F810 HydrophobicContact CG1-CD1 3.57Å; I778-F810 HydrophobicContact CG1-CE1 3.59Å; I778-F810 HydrophobicContact CG1-CG 4.42Å; I778-F810 HydrophobicContact CG1-CZ 4.43Å; I778-F810 HydrophobicContact CG2-CD1 4.34Å; I778-F810 HydrophobicContact CG2-CE1 4.18Å; I778-F810 HydrophobicContact CG2-CE2 4.47Å; I778-F810 HydrophobicContact CG2-CZ 4.25Å |
| 779 | E | 87.9 | Confident | 84.5 | Confident | 107 Ų | 107 | 70.6 Ų | 70.6 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 168.3 | -178.7 | -58.1 | 176.8 | 179.6 | 0 | 0 | 110.6 | I777 L781 I808 S809 | I777-E779 HydrophobicContact CG2-CG 4.03Å; E779-L781 PolarHBondContact O-N 3.35Å; E779-L781 VanDerWaalsContact O-N 3.13Å; E779-I808 WeakPolarHBondContact O-CA 3.33Å; E779-S809 PolarHBondContact N-O 2.84Å; E779-S809 VanDerWaalsContact N-O 3.11Å; E779-S809 PolarHBondContact O-N 2.93Å |
| 780 | G | 86.9 | Confident | 84.7 | Confident | 35 Ų | 35 | 70.4 Ų | 70.4 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 70.9 | 2.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | V804 K807 I808 | G780-V804 VanDerWaalsContact O-CG2 3.31Å; G780-V804 WeakPolarHBondContact O-CG2 3.43Å; G780-K807 WeakPolarHBondContact CA-O 3.3Å; G780-I808 WeakPolarHBondContact O-CG1 3.35Å |
| 781 | L | 90.8 | Very high | 84.9 | Confident | 40 Ų | 40 | 66.4 Ų | 66.4 | 21% | 0.209 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 150.6 | 172.1 | -73.2 | 171 | 0 | 0 | 0 | 111.8 | F748 I778 E779 F787 I808 | F748-L781 HydrophobicContact CE1-CD2 4Å; F748-L781 HydrophobicContact CZ-CD2 4.03Å; I778-L781 HydrophobicContact CB-CD1 4.28Å; I778-L781 HydrophobicContact CG2-CD1 3.8Å; I778-L781 HydrophobicContact CG2-CG 4.02Å; E779-L781 PolarHBondContact O-N 3.35Å; E779-L781 VanDerWaalsContact O-N 3.13Å; L781-F787 HydrophobicContact CD1-CB 3.76Å; L781-F787 HydrophobicContact CD1-CD2 4.07Å; L781-F787 HydrophobicContact CD1-CG 4.38Å; L781-I808 HydrophobicContact CD2-CD1 3.98Å; L781-I808 HydrophobicContact CD2-CG1 4.22Å |
| 782 | P | 90.6 | Very high | 85.2 | Confident | 11 Ų | 11 | 65.3 Ų | 65.3 | 7% | 0.071 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 143.4 | 178.7 | -22.5 | 33.3 | 0 | 0 | 0 | 112.8 | G784 I785 R800 I801 V804 | P782-G784 PolarHBondContact O-N 2.94Å; P782-I785 HydrophobicContact CB-CB 4.38Å; P782-I785 HydrophobicContact CB-CD1 3.87Å; P782-I785 HydrophobicContact CB-CG1 4.1Å; P782-I785 HydrophobicContact CG-CD1 4.05Å; P782-I785 PolarHBondContact O-N 3.38Å; P782-R800 HydrophobicContact CG-CB 4.36Å; P782-R800 WeakPolarHBondContact CG-O 3.49Å; P782-I801 HydrophobicContact CG-CG1 4.21Å; P782-V804 HydrophobicContact CG-CG2 3.64Å |
| 783 | P | 85.1 | Confident | 85.9 | Confident | 124 Ų | 124 | 62.2 Ų | 62.2 | 81% | 0.805 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 133.7 | 178 | 23.6 | -33.4 | 0 | 0 | 0 | 111.2 | I785 | P783-I785 VanDerWaalsContact C-N 3.31Å; P783-I785 PolarHBondContact O-N 2.87Å |
| 784 | G | 82.3 | Confident | 86.6 | Confident | 84 Ų | 84 | 60.1 Ų | 60.1 | 87% | 0.866 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -1.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P782 P786 | P782-G784 PolarHBondContact O-N 2.94Å; G784-P786 WeakPolarHBondContact O-CD 3.27Å |
| 785 | I | 88.5 | Confident | 87.2 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 6% | 0.062 | 33% | 0.334 | C | S | . | . | trans | -102.1 | 103.7 | 176.7 | -57.5 | -169.3 | 0 | 0 | 0 | 110.5 | P782 P783 F793 N797 R800 I801 | P782-I785 HydrophobicContact CB-CB 4.38Å; P782-I785 HydrophobicContact CB-CD1 3.87Å; P782-I785 HydrophobicContact CB-CG1 4.1Å; P782-I785 HydrophobicContact CG-CD1 4.05Å; P782-I785 PolarHBondContact O-N 3.38Å; P783-I785 VanDerWaalsContact C-N 3.31Å; P783-I785 PolarHBondContact O-N 2.87Å; I785-F793 HydrophobicContact CG2-CD1 4.47Å; I785-F793 HydrophobicContact CG2-CE1 3.82Å; I785-F793 HydrophobicContact CG2-CZ 3.96Å; I785-N797 HydrophobicContact CD1-CB 4.11Å; I785-R800 HydrophobicContact CD1-CB 4.19Å; I785-I801 HydrophobicContact CD1-CG1 4.39Å; I785-I801 HydrophobicContact CG2-CD1 4.03Å; I785-I801 HydrophobicContact CG2-CG1 4.23Å | ||
| 786 | P | 87.8 | Confident | 87.8 | Confident | 70 Ų | 70 | 61.5 Ų | 61.5 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | trans | -74.6 | 142.8 | 179.3 | 30.8 | -35.4 | 0 | 0 | 0 | 111.6 | G784 R788 F793 | G784-P786 WeakPolarHBondContact O-CD 3.27Å; P786-R788 PolarHBondContact O-N 3.37Å; P786-R788 VanDerWaalsContact O-N 3.1Å; P786-F793 WeakPolarHBondContact O-CZ 3.39Å | ||
| 787 | F | 90.5 | Very high | 88.1 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 18% | 0.184 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -59.4 | 113.7 | 178.7 | -176.1 | -109.9 | 0 | 0 | 0 | 112.5 | F748 V764 Y766 I769 I778 L781 F810 | F748-F787 HydrophobicContact CD2-CE2 4.13Å; F748-F787 HydrophobicContact CE1-CE2 4.48Å; F748-F787 HydrophobicContact CE2-CD2 4.47Å; F748-F787 HydrophobicContact CE2-CE2 4.02Å; F748-F787 HydrophobicContact CG-CE2 4.39Å; F748-F787 HydrophobicContact CZ-CD2 4.37Å; F748-F787 HydrophobicContact CZ-CE2 4.2Å; V764-F787 HydrophobicContact CG1-CE1 4.45Å; V764-F787 HydrophobicContact CG1-CZ 3.89Å; Y766-F787 AromaticContact CD1-CE1 3.76Å; Y766-F787 HydrophobicContact CD1-CE1 3.76Å; Y766-F787 HydrophobicContact CD1-CE2 4.46Å; Y766-F787 AromaticContact CD1-CZ 3.59Å; Y766-F787 HydrophobicContact CD1-CZ 3.59Å; Y766-F787 HydrophobicContact CE1-CE1 4.15Å; Y766-F787 HydrophobicContact CE1-CE2 4.05Å; Y766-F787 AromaticContact CE1-CZ 3.49Å; Y766-F787 HydrophobicContact CE1-CZ 3.49Å; Y766-F787 VanDerWaalsContact CE1-CZ 3.49Å; I769-F787 HydrophobicContact CB-CE1 4.4Å; I769-F787 HydrophobicContact CD1-CE1 3.95Å; I769-F787 HydrophobicContact CD1-CZ 4.48Å; I769-F787 HydrophobicContact CG2-CD1 3.97Å; I769-F787 HydrophobicContact CG2-CE1 3.92Å; I778-F787 HydrophobicContact CD1-CB 4.24Å; I778-F787 HydrophobicContact CD1-CD1 3.72Å; I778-F787 HydrophobicContact CD1-CD2 4.49Å; I778-F787 HydrophobicContact CD1-CE1 4.25Å; I778-F787 HydrophobicContact CD1-CG 3.87Å; I778-F787 HydrophobicContact CG1-CD1 4.25Å; I778-F787 HydrophobicContact CG1-CD2 4.23Å; I778-F787 HydrophobicContact CG1-CG 4.1Å; I778-F787 HydrophobicContact CG2-CD2 4.32Å; L781-F787 HydrophobicContact CD1-CB 3.76Å; L781-F787 HydrophobicContact CD1-CD2 4.07Å; L781-F787 HydrophobicContact CD1-CG 4.38Å; F787-F810 HydrophobicContact CE1-CE1 4.45Å; F787-F810 AromaticContact CE2-CE1 3.85Å; F787-F810 HydrophobicContact CE2-CE1 3.85Å; F787-F810 AromaticContact CE2-CZ 3.77Å; F787-F810 HydrophobicContact CE2-CZ 3.77Å; F787-F810 AromaticContact CZ-CE1 3.73Å; F787-F810 HydrophobicContact CZ-CE1 3.73Å; F787-F810 HydrophobicContact CZ-CZ 4.02Å |
| 788 | R | 88.9 | Confident | 88.5 | Confident | 142 Ų | 142 | 60.1 Ų | 60.1 | 54% | 0.536 | 35% | 0.354 | S | S | . | . | trans | -149.8 | 173.2 | -178 | -63 | -174.1 | -179.6 | -153.2 | -0.4 | 110.6 | P786 T792 F793 | P786-R788 PolarHBondContact O-N 3.37Å; P786-R788 VanDerWaalsContact O-N 3.1Å; R788-T792 WeakPolarHBondContact CB-OG1 3.11Å; R788-F793 HydrophobicContact CB-CE1 4.14Å; R788-F793 HydrophobicContact CB-CZ 3.78Å | ||
| 789 | K | 91 | Very high | 88.6 | Confident | 110 Ų | 110 | 62 Ų | 62 | 48% | 0.478 | 36% | 0.363 | S | S | . | . | trans | -61.6 | 139.3 | 174.6 | -74.7 | -168.9 | 170.3 | -164.5 | 0 | 111.1 | Y766 C791 T792 | Y766-K789 HydrophobicContact CD1-CG 4Å; Y766-K789 HydrophobicContact CD2-CD 4.3Å; Y766-K789 HydrophobicContact CD2-CG 3.59Å; Y766-K789 HydrophobicContact CE1-CG 4.37Å; Y766-K789 HydrophobicContact CE2-CG 3.98Å; Y766-K789 HydrophobicContact CG-CG 3.6Å; K789-C791 PolarHBondContact O-N 2.72Å; K789-C791 VanDerWaalsContact O-N 3.13Å; K789-T792 HydrophobicContact CB-CG2 4.31Å; K789-T792 WeakPolarHBondContact O-CB 3.26Å; K789-T792 PolarHBondContact O-N 2.9Å; K789-T792 PolarHBondContact O-OG1 3.5Å | ||
| 790 | P | 89.3 | Confident | 88.8 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.013 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -53.4 | -34.1 | 176.2 | -29.7 | 37.2 | 0 | 0 | 0 | 114.1 | R741 V744 Q745 F748 Y766 T792 F793 L798 | R741-P790 HydrophobicContact CB-CB 4.43Å; R741-P790 PolarHBondContact NH1-O 3.18Å; R741-P790 WeakPolarHBondContact O-CB 3.45Å; V744-P790 HydrophobicContact CB-CB 4.31Å; V744-P790 HydrophobicContact CB-CG 4.32Å; V744-P790 HydrophobicContact CG1-CB 4.29Å; V744-P790 HydrophobicContact CG1-CG 3.97Å; Q745-P790 HydrophobicContact CB-CB 4.46Å; Q745-P790 HydrophobicContact CB-CG 3.94Å; F748-P790 HydrophobicContact CD2-CG 3.97Å; F748-P790 HydrophobicContact CE2-CG 4.22Å; Y766-P790 WeakPolarHBondContact OH-CD 3.48Å; P790-T792 PolarHBondContact O-N 3.35Å; P790-F793 PolarHBondContact O-N 2.96Å; P790-L798 HydrophobicContact CB-CD2 3.98Å |
| 791 | C | 85.7 | Confident | 89.2 | Confident | 84 Ų | 84 | 61 Ų | 61 | 57% | 0.568 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -64.2 | -5.5 | 174.5 | 64 | 0 | 0 | 0 | 0 | 115.4 | K789 | K789-C791 PolarHBondContact O-N 2.72Å; K789-C791 VanDerWaalsContact O-N 3.13Å |
| 792 | T | 87.3 | Confident | 89.2 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -100.4 | -2.7 | 177.7 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | R788 K789 P790 | R788-T792 WeakPolarHBondContact CB-OG1 3.11Å; K789-T792 HydrophobicContact CB-CG2 4.31Å; K789-T792 WeakPolarHBondContact O-CB 3.26Å; K789-T792 PolarHBondContact O-N 2.9Å; K789-T792 PolarHBondContact O-OG1 3.5Å; P790-T792 PolarHBondContact O-N 3.35Å |
| 793 | F | 87.9 | Confident | 89.3 | Confident | 16 Ų | 16 | 65 Ų | 65 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -100.9 | 160.7 | -178.5 | -60.7 | -49.2 | 0 | 0 | 0 | 112.7 | R741 I785 P786 R788 P790 N797 L798 I801 | R741-F793 PolarHBondContact NH1-O 2.84Å; R741-F793 PolarHBondContact NH2-O 2.8Å; R741-F793 VanDerWaalsContact NH2-O 3.11Å; I785-F793 HydrophobicContact CG2-CD1 4.47Å; I785-F793 HydrophobicContact CG2-CE1 3.82Å; I785-F793 HydrophobicContact CG2-CZ 3.96Å; P786-F793 WeakPolarHBondContact O-CZ 3.39Å; R788-F793 HydrophobicContact CB-CE1 4.14Å; R788-F793 HydrophobicContact CB-CZ 3.78Å; P790-F793 PolarHBondContact O-N 2.96Å; F793-N797 HydrophobicContact CB-CB 3.88Å; F793-N797 HydrophobicContact CD1-CB 4.41Å; F793-N797 HydrophobicContact CG-CB 4.32Å; F793-L798 HydrophobicContact CB-CD2 4.01Å; F793-L798 HydrophobicContact CB-CG 3.9Å; F793-L798 HydrophobicContact CD2-CD2 3.94Å; F793-L798 HydrophobicContact CG-CD2 4.48Å; F793-I801 HydrophobicContact CD2-CD1 3.69Å; F793-I801 HydrophobicContact CE2-CD1 3.56Å; F793-I801 HydrophobicContact CG-CD1 4.42Å; F793-I801 HydrophobicContact CZ-CD1 4.18Å |
| 794 | G | 87.9 | Confident | 89.7 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | trans | -83.8 | 169.2 | 163 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q796 N797 L798 | G794-Q796 PolarHBondContact O-N 3.41Å; G794-N797 PolarHBondContact O-N 3.23Å; G794-L798 WeakPolarHBondContact O-CG 3.47Å; G794-L798 PolarHBondContact O-N 2.94Å; G794-L798 VanDerWaalsContact O-N 3.12Å | ||
| 795 | S | 87.3 | Confident | 90.1 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 26% | 0.259 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.5 | -51.5 | 179.6 | 70.9 | 0 | 0 | 0 | 0 | 111.4 | N797 L798 E799 | S795-N797 PolarHBondContact O-N 3.46Å; S795-L798 CarbonylContact O-C 3.47Å; S795-L798 WeakPolarHBondContact O-CA 3.42Å; S795-L798 WeakPolarHBondContact O-CB 3.31Å; S795-L798 PolarHBondContact O-N 3.46Å; S795-E799 WeakPolarHBondContact CA-OE1 3.27Å; S795-E799 WeakPolarHBondContact CB-OE1 3.45Å; S795-E799 WeakPolarHBondContact O-CG 3.47Å; S795-E799 PolarHBondContact O-N 2.69Å; S795-E799 PolarHBondContact OG-OE1 3.37Å |
| 796 | Q | 89.8 | Confident | 90.2 | Very high | 140 Ų | 140 | 64 Ų | 64 | 65% | 0.654 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -54.7 | -20.9 | 174.9 | -66.9 | 177.1 | -24 | 0 | 0 | 115.4 | G794 E799 R800 | G794-Q796 PolarHBondContact O-N 3.41Å; Q796-E799 WeakPolarHBondContact CA-OE2 3.35Å; Q796-E799 PolarHBondContact N-OE1 2.85Å; Q796-R800 VanDerWaalsContact O-CG 3.27Å; Q796-R800 WeakPolarHBondContact O-CG 3.49Å; Q796-R800 PolarHBondContact O-NE 3.49Å |
| 797 | N | 90.6 | Very high | 90.3 | Very high | 49 Ų | 49 | 68.3 Ų | 68.3 | 26% | 0.262 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -91 | -31 | 174.9 | -74.7 | 10.3 | 0 | 0 | 0 | 111.3 | I785 F793 G794 S795 R800 I801 | I785-N797 HydrophobicContact CD1-CB 4.11Å; F793-N797 HydrophobicContact CB-CB 3.88Å; F793-N797 HydrophobicContact CD1-CB 4.41Å; F793-N797 HydrophobicContact CG-CB 4.32Å; G794-N797 PolarHBondContact O-N 3.23Å; S795-N797 PolarHBondContact O-N 3.46Å; N797-R800 PolarHBondContact OD1-NH2 2.93Å; N797-I801 VanDerWaalsContact O-CD1 3.31Å; N797-I801 WeakPolarHBondContact O-CD1 3.26Å; N797-I801 WeakPolarHBondContact O-CG1 3.46Å; N797-I801 PolarHBondContact O-N 2.87Å |
| 798 | L | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.2 | -46.1 | 174.6 | -63.5 | 159.4 | 0 | 0 | 0 | 110.6 | L740 R741 V744 P790 F793 G794 S795 R800 I801 L802 | L740-L798 HydrophobicContact CB-CB 3.8Å; L740-L798 HydrophobicContact CB-CD1 3.91Å; L740-L798 HydrophobicContact CB-CG 4.45Å; R741-L798 HydrophobicContact CG-CD1 3.73Å; V744-L798 HydrophobicContact CB-CD2 3.83Å; V744-L798 HydrophobicContact CG1-CD2 4.11Å; V744-L798 HydrophobicContact CG2-CB 3.97Å; V744-L798 HydrophobicContact CG2-CD2 3.76Å; P790-L798 HydrophobicContact CB-CD2 3.98Å; F793-L798 HydrophobicContact CB-CD2 4.01Å; F793-L798 HydrophobicContact CB-CG 3.9Å; F793-L798 HydrophobicContact CD2-CD2 3.94Å; F793-L798 HydrophobicContact CG-CD2 4.48Å; G794-L798 WeakPolarHBondContact O-CG 3.47Å; G794-L798 PolarHBondContact O-N 2.94Å; G794-L798 VanDerWaalsContact O-N 3.12Å; S795-L798 CarbonylContact O-C 3.47Å; S795-L798 WeakPolarHBondContact O-CA 3.42Å; S795-L798 WeakPolarHBondContact O-CB 3.31Å; S795-L798 PolarHBondContact O-N 3.46Å; L798-R800 VanDerWaalsContact C-N 3.31Å; L798-R800 PolarHBondContact O-N 3.38Å; L798-I801 WeakPolarHBondContact O-CB 3.24Å; L798-I801 PolarHBondContact O-N 3.32Å; L798-L802 WeakPolarHBondContact O-CG 3.48Å; L798-L802 PolarHBondContact O-N 3.49Å |
| 799 | E | 91.3 | Very high | 90.5 | Very high | 77 Ų | 77 | 61.5 Ų | 61.5 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -50.4 | -49.6 | 170.7 | -68.7 | 149.1 | -139 | 0 | 0 | 111 | L740 S795 Q796 I801 L802 A803 | L740-E799 HydrophobicContact CD1-CG 3.78Å; L740-E799 WeakPolarHBondContact CD1-OE1 3.38Å; L740-E799 HydrophobicContact CD2-CG 3.99Å; S795-E799 WeakPolarHBondContact CA-OE1 3.27Å; S795-E799 WeakPolarHBondContact CB-OE1 3.45Å; S795-E799 WeakPolarHBondContact O-CG 3.47Å; S795-E799 PolarHBondContact O-N 2.69Å; S795-E799 PolarHBondContact OG-OE1 3.37Å; Q796-E799 WeakPolarHBondContact CA-OE2 3.35Å; Q796-E799 PolarHBondContact N-OE1 2.85Å; E799-I801 VanDerWaalsContact C-N 3.34Å; E799-I801 PolarHBondContact O-N 2.95Å; E799-L802 PolarHBondContact O-N 2.9Å; E799-A803 WeakPolarHBondContact O-CB 3.35Å; E799-A803 PolarHBondContact O-N 2.87Å |
| 800 | R | 92.9 | Very high | 90.5 | Very high | 120 Ų | 120 | 56.8 Ų | 56.8 | 45% | 0.453 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.9 | -29.6 | 177.1 | -74.8 | -171.4 | -64.8 | 155.3 | -5.5 | 114.2 | P782 I785 Q796 N797 L798 | P782-R800 HydrophobicContact CG-CB 4.36Å; P782-R800 WeakPolarHBondContact CG-O 3.49Å; I785-R800 HydrophobicContact CD1-CB 4.19Å; Q796-R800 VanDerWaalsContact O-CG 3.27Å; Q796-R800 WeakPolarHBondContact O-CG 3.49Å; Q796-R800 PolarHBondContact O-NE 3.49Å; N797-R800 PolarHBondContact OD1-NH2 2.93Å; L798-R800 VanDerWaalsContact C-N 3.31Å; L798-R800 PolarHBondContact O-N 3.38Å |
| 801 | I | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.2 | -42.1 | 172.6 | -68.7 | 160.2 | 0 | 0 | 0 | 110.4 | V744 L747 F748 P782 I785 F793 N797 L798 E799 A803 V804 A805 I808 | V744-I801 HydrophobicContact CG1-CB 4.33Å; V744-I801 HydrophobicContact CG1-CD1 4.25Å; V744-I801 HydrophobicContact CG1-CG2 3.68Å; V744-I801 HydrophobicContact CG2-CB 4.3Å; V744-I801 HydrophobicContact CG2-CG2 4.21Å; L747-I801 HydrophobicContact CD2-CG2 4.37Å; F748-I801 HydrophobicContact CE1-CG2 3.81Å; F748-I801 HydrophobicContact CZ-CD1 4.31Å; F748-I801 HydrophobicContact CZ-CG2 3.8Å; P782-I801 HydrophobicContact CG-CG1 4.21Å; I785-I801 HydrophobicContact CD1-CG1 4.39Å; I785-I801 HydrophobicContact CG2-CD1 4.03Å; I785-I801 HydrophobicContact CG2-CG1 4.23Å; F793-I801 HydrophobicContact CD2-CD1 3.69Å; F793-I801 HydrophobicContact CE2-CD1 3.56Å; F793-I801 HydrophobicContact CG-CD1 4.42Å; F793-I801 HydrophobicContact CZ-CD1 4.18Å; N797-I801 VanDerWaalsContact O-CD1 3.31Å; N797-I801 WeakPolarHBondContact O-CD1 3.26Å; N797-I801 WeakPolarHBondContact O-CG1 3.46Å; N797-I801 PolarHBondContact O-N 2.87Å; L798-I801 WeakPolarHBondContact O-CB 3.24Å; L798-I801 PolarHBondContact O-N 3.32Å; E799-I801 VanDerWaalsContact C-N 3.34Å; E799-I801 PolarHBondContact O-N 2.95Å; I801-A803 VanDerWaalsContact C-N 3.35Å; I801-V804 PolarHBondContact O-N 2.87Å; I801-A805 PolarHBondContact O-N 2.67Å; I801-I808 HydrophobicContact CG2-CD1 3.71Å; I801-I808 WeakPolarHBondContact O-CD1 3.39Å |
| 802 | L | 91.9 | Very high | 90.3 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 176 | -64.6 | 174.7 | 0 | 0 | 0 | 111.9 | L740 Q743 V744 L747 L798 E799 V804 A805 | L740-L802 HydrophobicContact CD2-CD1 3.65Å; Q743-L802 HydrophobicContact CB-CD1 4.05Å; Q743-L802 HydrophobicContact CB-CD2 4.11Å; V744-L802 HydrophobicContact CG2-CD1 4.18Å; V744-L802 HydrophobicContact CG2-CD2 3.6Å; V744-L802 HydrophobicContact CG2-CG 3.59Å; L747-L802 HydrophobicContact CD2-CD2 4.05Å; L798-L802 WeakPolarHBondContact O-CG 3.48Å; L798-L802 PolarHBondContact O-N 3.49Å; E799-L802 PolarHBondContact O-N 2.9Å; L802-V804 PolarHBondContact O-N 3.43Å; L802-A805 WeakPolarHBondContact O-CB 3.43Å; L802-A805 PolarHBondContact O-N 3.17Å |
| 803 | A | 91.9 | Very high | 89.8 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 71% | 0.711 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -10.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E799 I801 | E799-A803 WeakPolarHBondContact O-CB 3.35Å; E799-A803 PolarHBondContact O-N 2.87Å; I801-A803 VanDerWaalsContact C-N 3.35Å |
| 804 | V | 93.6 | Very high | 88.9 | Confident | 34 Ų | 34 | 65 Ų | 65 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 18.1 | 172.5 | -54.9 | 0 | 0 | 0 | 0 | 112.7 | G780 P782 I801 L802 D806 K807 I808 | G780-V804 VanDerWaalsContact O-CG2 3.31Å; G780-V804 WeakPolarHBondContact O-CG2 3.43Å; P782-V804 HydrophobicContact CG-CG2 3.64Å; I801-V804 PolarHBondContact O-N 2.87Å; L802-V804 PolarHBondContact O-N 3.43Å; V804-D806 PolarHBondContact O-N 2.85Å; V804-D806 VanDerWaalsContact O-N 3.09Å; V804-K807 WeakPolarHBondContact O-CB 3.4Å; V804-K807 PolarHBondContact O-N 3.06Å; V804-I808 HydrophobicContact CG2-CD1 3.87Å; V804-I808 HydrophobicContact CG2-CG1 4.11Å; V804-I808 PolarHBondContact O-N 3.29Å |
| 805 | A | 91.1 | Very high | 87.7 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -39.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L747 K751 I801 L802 K807 I808 | L747-A805 HydrophobicContact CD1-CB 3.81Å; L747-A805 HydrophobicContact CD2-CB 3.56Å; L747-A805 HydrophobicContact CG-CB 4.35Å; K751-A805 WeakPolarHBondContact CE-O 3.09Å; I801-A805 PolarHBondContact O-N 2.67Å; L802-A805 WeakPolarHBondContact O-CB 3.43Å; L802-A805 PolarHBondContact O-N 3.17Å; A805-K807 VanDerWaalsContact C-N 3.33Å; A805-K807 PolarHBondContact O-N 2.95Å; A805-I808 PolarHBondContact O-N 3.37Å |
| 806 | D | 91 | Very high | 86.6 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 80% | 0.797 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -31.1 | -178.5 | -55.6 | -53.1 | 0 | 0 | 0 | 112.8 | K751 V804 | K751-D806 PolarHBondContact NZ-O 3.33Å; V804-D806 PolarHBondContact O-N 2.85Å; V804-D806 VanDerWaalsContact O-N 3.09Å |
| 807 | K | 89.9 | Confident | 84.7 | Confident | 160 Ų | 160 | 67.7 Ų | 67.7 | 70% | 0.696 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -22.1 | 178.1 | -59.1 | -178 | -179 | 178.9 | 0 | 112.4 | G780 V804 A805 S809 | G780-K807 WeakPolarHBondContact CA-O 3.3Å; V804-K807 WeakPolarHBondContact O-CB 3.4Å; V804-K807 PolarHBondContact O-N 3.06Å; A805-K807 VanDerWaalsContact C-N 3.33Å; A805-K807 PolarHBondContact O-N 2.95Å; K807-S809 PolarHBondContact O-N 3.07Å |
| 808 | I | 93.3 | Very high | 83 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.374 | C | S | . | . | trans | -72.1 | 123 | -178.8 | -67.4 | 163.9 | 0 | 0 | 0 | 110.2 | L747 F748 K751 I778 E779 G780 L781 I801 V804 A805 F810 | L747-I808 HydrophobicContact CD2-CD1 4.39Å; F748-I808 HydrophobicContact CE1-CD1 4.33Å; F748-I808 HydrophobicContact CE1-CG2 4.37Å; K751-I808 VanDerWaalsContact CD-O 3.26Å; K751-I808 WeakPolarHBondContact CD-O 3.32Å; K751-I808 WeakPolarHBondContact CE-O 3.49Å; K751-I808 PolarHBondContact NZ-O 2.67Å; I778-I808 HydrophobicContact CG2-CG2 4.49Å; E779-I808 WeakPolarHBondContact O-CA 3.33Å; G780-I808 WeakPolarHBondContact O-CG1 3.35Å; L781-I808 HydrophobicContact CD2-CD1 3.98Å; L781-I808 HydrophobicContact CD2-CG1 4.22Å; I801-I808 HydrophobicContact CG2-CD1 3.71Å; I801-I808 WeakPolarHBondContact O-CD1 3.39Å; V804-I808 HydrophobicContact CG2-CD1 3.87Å; V804-I808 HydrophobicContact CG2-CG1 4.11Å; V804-I808 PolarHBondContact O-N 3.29Å; A805-I808 PolarHBondContact O-N 3.37Å; I808-F810 HydrophobicContact CG2-CE2 4.27Å | ||
| 809 | S | 89.5 | Confident | 80.8 | Confident | 41 Ų | 41 | 72.8 Ų | 72.8 | 29% | 0.287 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 159.6 | 176 | 69.4 | 0 | 0 | 0 | 0 | 110.7 | I778 E779 K807 | I778-S809 WeakPolarHBondContact CA-O 3.17Å; I778-S809 WeakPolarHBondContact CG2-O 3.28Å; E779-S809 PolarHBondContact N-O 2.84Å; E779-S809 VanDerWaalsContact N-O 3.11Å; E779-S809 PolarHBondContact O-N 2.93Å; K807-S809 PolarHBondContact O-N 3.07Å |
| 810 | F | 91 | Very high | 78.7 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 4% | 0.044 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.9 | 170.4 | -69.7 | -105.4 | 0 | 0 | 0 | 108.1 | F748 K751 Y752 A755 V764 V776 I777 I778 F787 I808 | F748-F810 HydrophobicContact CB-CZ 4.32Å; F748-F810 HydrophobicContact CD1-CE2 4.35Å; F748-F810 HydrophobicContact CD1-CZ 4.21Å; F748-F810 HydrophobicContact CG-CZ 4.41Å; K751-F810 HydrophobicContact CB-CD2 3.67Å; K751-F810 HydrophobicContact CB-CE2 3.75Å; Y752-F810 HydrophobicContact CD2-CB 4.5Å; Y752-F810 AromaticContact CD2-CD1 3.89Å; Y752-F810 HydrophobicContact CD2-CD1 3.89Å; Y752-F810 HydrophobicContact CD2-CE1 4.35Å; Y752-F810 HydrophobicContact CD2-CG 4.27Å; A755-F810 HydrophobicContact CB-CB 3.67Å; A755-F810 WeakPolarHBondContact CB-O 3.29Å; V764-F810 HydrophobicContact CG1-CE1 4.33Å; V776-F810 HydrophobicContact CG1-CB 4.45Å; V776-F810 HydrophobicContact CG1-CD1 3.86Å; I777-F810 WeakPolarHBondContact O-CA 3.42Å; I778-F810 HydrophobicContact CB-CD1 4.5Å; I778-F810 HydrophobicContact CG1-CD1 3.57Å; I778-F810 HydrophobicContact CG1-CE1 3.59Å; I778-F810 HydrophobicContact CG1-CG 4.42Å; I778-F810 HydrophobicContact CG1-CZ 4.43Å; I778-F810 HydrophobicContact CG2-CD1 4.34Å; I778-F810 HydrophobicContact CG2-CE1 4.18Å; I778-F810 HydrophobicContact CG2-CE2 4.47Å; I778-F810 HydrophobicContact CG2-CZ 4.25Å; F787-F810 HydrophobicContact CE1-CE1 4.45Å; F787-F810 AromaticContact CE2-CE1 3.85Å; F787-F810 HydrophobicContact CE2-CE1 3.85Å; F787-F810 AromaticContact CE2-CZ 3.77Å; F787-F810 HydrophobicContact CE2-CZ 3.77Å; F787-F810 AromaticContact CZ-CE1 3.73Å; F787-F810 HydrophobicContact CZ-CE1 3.73Å; F787-F810 HydrophobicContact CZ-CZ 4.02Å; I808-F810 HydrophobicContact CG2-CE2 4.27Å |
| 811 | T | 86 | Confident | 76.1 | Confident | 61 Ų | 61 | 71 Ų | 71 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 109.1 | 179.1 | -62.3 | 0 | 0 | 0 | 0 | 108.7 | V776 I777 T813 | V776-T811 WeakPolarHBondContact CA-O 3.39Å; I777-T811 PolarHBondContact N-O 3.06Å; I777-T811 PolarHBondContact O-N 2.91Å; T811-T813 PolarHBondContact O-N 3.04Å |
| 812 | I | 84.3 | Confident | 73.1 | Confident | 37 Ų | 37 | 80.2 Ų | 80.2 | 19% | 0.19 | 44% | 0.441 | C | S | . | . | trans | -92.7 | 85.2 | -170.6 | -56.2 | 179.3 | 0 | 0 | 0 | 109.8 | Y752 A755 L756 V776 R814 P815 | Y752-I812 HydrophobicContact CD2-CD1 4.22Å; Y752-I812 HydrophobicContact CE2-CD1 3.77Å; Y752-I812 HydrophobicContact CE2-CG1 4.46Å; A755-I812 HydrophobicContact CB-CD1 3.98Å; A755-I812 HydrophobicContact CB-CG1 4.18Å; L756-I812 HydrophobicContact CD2-CD1 3.49Å; L756-I812 VanDerWaalsContact CD2-CD1 3.49Å; L756-I812 HydrophobicContact CG-CD1 3.59Å; V776-I812 HydrophobicContact CG1-CG1 4.32Å; V776-I812 HydrophobicContact CG2-CG1 4.23Å; V776-I812 HydrophobicContact CG2-CG2 4.33Å; I812-R814 VanDerWaalsContact C-N 3.33Å; I812-P815 HydrophobicContact CG2-CB 4.3Å | ||
| 813 | T | 77.1 | Confident | 70.7 | Confident | 78 Ų | 78 | 83 Ų | 83 | 48% | 0.479 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -66.3 | -29.6 | 176.3 | 42.2 | 0 | 0 | 0 | 0 | 113.4 | D774 S775 I777 T811 | D774-T813 PolarHBondContact O-OG1 3.19Å; S775-T813 PolarHBondContact O-N 3.47Å; S775-T813 PolarHBondContact O-OG1 2.89Å; I777-T813 HydrophobicContact CD1-CG2 3.88Å; I777-T813 HydrophobicContact CG1-CG2 4.35Å; T811-T813 PolarHBondContact O-N 3.04Å |
| 814 | R | 68.6 | Low | 67.8 | Low | 181 Ų | 181 | 82.8 Ų | 82.8 | 68% | 0.683 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -143.1 | 104.2 | 174.1 | -168.2 | 169.1 | -71.1 | -175.2 | -0.4 | 111.7 | S775 I812 F816 | S775-R814 PolarHBondContact O-N 3.3Å; I812-R814 VanDerWaalsContact C-N 3.33Å; R814-F816 PolarHBondContact O-N 2.9Å |
| 815 | P | 64.1 | Low | 65.1 | Low | 73 Ų | 73 | 87.2 Ų | 87.2 | 47% | 0.474 | 49% | 0.49 | S | S | . | . | trans | -62.2 | 129.2 | -177.3 | 20.9 | -31.4 | 0 | 0 | 0 | 112.9 | I812 Q817 I820 | I812-P815 HydrophobicContact CG2-CB 4.3Å; P815-Q817 PolarHBondContact O-N 3.18Å; P815-Q817 VanDerWaalsContact O-N 3.09Å; P815-I820 HydrophobicContact CB-CD1 3.39Å | ||
| 816 | F | 64.4 | Low | 62.7 | Low | 20 Ų | 20 | 97.1 Ų | 97.1 | 9% | 0.088 | 52% | 0.524 | C | S | . | . | trans | -67.3 | 108.3 | 178 | -65.3 | -58.9 | 0 | 0 | 0 | 111.6 | P765 R768 I769 N772 V776 R814 G818 L819 | P765-F816 HydrophobicContact CG-CD2 3.85Å; P765-F816 HydrophobicContact CG-CE2 4.04Å; R768-F816 HydrophobicContact CB-CD1 3.96Å; R768-F816 HydrophobicContact CB-CD2 4.21Å; R768-F816 HydrophobicContact CB-CE1 3.72Å; R768-F816 HydrophobicContact CB-CE2 3.97Å; R768-F816 HydrophobicContact CB-CG 4.22Å; R768-F816 HydrophobicContact CB-CZ 3.73Å; I769-F816 HydrophobicContact CG1-CE2 3.63Å; I769-F816 HydrophobicContact CG1-CZ 3.98Å; N772-F816 HydrophobicContact CB-CE1 4.49Å; V776-F816 HydrophobicContact CG2-CD2 4.33Å; V776-F816 HydrophobicContact CG2-CE2 3.53Å; V776-F816 HydrophobicContact CG2-CZ 4Å; R814-F816 PolarHBondContact O-N 2.9Å; F816-G818 PolarHBondContact O-N 3.37Å; F816-L819 PolarHBondContact O-N 2.99Å | ||
| 817 | Q | 49.7 | Very low | 60 | Low | 179 Ų | 179 | 101.5 Ų | 101.5 | 84% | 0.836 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 137.9 | 177 | -62.1 | -172.2 | 5.6 | 0 | 0 | 111.6 | R768 P815 | R768-Q817 PolarHBondContact NH1-O 3.06Å; P815-Q817 PolarHBondContact O-N 3.18Å; P815-Q817 VanDerWaalsContact O-N 3.09Å |
| 818 | G | 54.7 | Low | 57.4 | Low | 76 Ų | 76 | 99.1 Ų | 99.1 | 78% | 0.784 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 8.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | F816 | F816-G818 PolarHBondContact O-N 3.37Š|
| 819 | L | 47.7 | Very low | 54.8 | Low | 80 Ų | 80 | 105.3 Ų | 105.3 | 42% | 0.419 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -123.4 | 3.5 | 172 | -78.9 | 176.6 | 0 | 0 | 0 | 114.6 | P765 F816 | P765-L819 HydrophobicContact CB-CD1 3.65Å; P765-L819 HydrophobicContact CG-CD1 4.18Å; F816-L819 PolarHBondContact O-N 2.99Å |
| 820 | I | 46.6 | Very low | 52.2 | Low | 52 Ų | 52 | 110.4 Ų | 110.4 | 27% | 0.267 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -111.3 | 126.2 | 176.6 | -61 | 179.2 | 0 | 0 | 0 | 108 | L756 P815 K822 | L756-I820 HydrophobicContact CD2-CD1 3.63Å; L756-I820 HydrophobicContact CD2-CG1 3.93Å; P815-I820 HydrophobicContact CB-CD1 3.39Å; I820-K822 PolarHBondContact O-N 3.21Å; I820-K822 VanDerWaalsContact O-N 3.09Å |
| 821 | P | 37.8 | Very low | 49.5 | Very low | 107 Ų | 107 | 116.8 Ų | 116.8 | 70% | 0.695 | 62% | 0.623 | S | S | * | * | trans | -60.9 | 110.5 | 163.3 | -14.7 | 29 | 0 | 0 | 0 | 107.5 | P823 | P821-P823 VanDerWaalsContact O-CD 3.23Å; P821-P823 WeakPolarHBondContact O-CD 3.22Å; P821-P823 VanDerWaalsContact O-N 3.17Å | ||
| 822 | K | 31.1 | Very low | 47 | Very low | 194 Ų | 194 | 123.5 Ų | 123.5 | 84% | 0.843 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 120.3 | -170.7 | -70.8 | -178.2 | 179.2 | 178.5 | 0 | 111.3 | I820 | I820-K822 PolarHBondContact O-N 3.21Å; I820-K822 VanDerWaalsContact O-N 3.09Å |
| 823 | P | 40.9 | Very low | 44.7 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 69% | 0.688 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 140.8 | 147.9 | -13.6 | 29.9 | 0 | 0 | 0 | 107.8 | P821 | P821-P823 VanDerWaalsContact O-CD 3.23Å; P821-P823 WeakPolarHBondContact O-CD 3.22Å; P821-P823 VanDerWaalsContact O-N 3.17Å |
| 824 | A | 31.4 | Very low | 42.3 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 69% | 0.686 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 146.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R826 | A824-R826 PolarHBondContact O-N 2.58Š|
| 825 | P | 37.1 | Very low | 40.5 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -70.1 | 101.7 | -171.1 | -17.7 | 32.1 | 0 | 0 | 0 | 112.6 | R827 | P825-R827 PolarHBondContact O-N 3.47Å; P825-R827 VanDerWaalsContact O-N 3.16Å | ||
| 826 | R | 39.8 | Very low | 39.2 | Very low | 227 Ų | 227 | 134.8 Ų | 134.8 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | trans | -77.3 | 97.9 | 171.5 | -81.2 | -170.9 | 170.3 | 178.6 | -2.8 | 110.7 | A824 V828 | A824-R826 PolarHBondContact O-N 2.58Å; R826-V828 HydrophobicContact CB-CG2 4.19Å; R826-V828 PolarHBondContact O-N 3.19Å | ||
| 827 | R | 35.3 | Very low | 38.1 | Very low | 240 Ų | 240 | 138.5 Ų | 138.5 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | trans | -63.6 | 94.6 | 160.8 | -88.9 | 176.9 | 57.3 | 169.8 | -4 | 109.2 | P825 | P825-R827 PolarHBondContact O-N 3.47Å; P825-R827 VanDerWaalsContact O-N 3.16Å | ||
| 828 | V | 35 | Very low | 37.5 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | trans | -119.9 | 68.9 | 170.3 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | R826 | R826-V828 HydrophobicContact CB-CG2 4.19Å; R826-V828 PolarHBondContact O-N 3.19Å | ||
| 829 | T | 39 | Very low | 36.9 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -114.9 | 64.7 | 155.6 | 53.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 830 | L | 34.8 | Very low | 36.8 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -172.4 | 115.3 | 147.4 | -102.4 | 167.3 | 0 | 0 | 0 | 110.9 | ||
| 831 | L | 33.3 | Very low | 36.7 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | 20.2 | 104 | 156.3 | -83.9 | 52.2 | 0 | 0 | 0 | 119.8 | K833 | L831-K833 PolarHBondContact O-N 2.83Š| ||
| 832 | K | 33.8 | Very low | 37 | Very low | 203 Ų | 203 | 142.2 Ų | 142.2 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | S | Bend | 52.1 | 15.9 | 95.6 | -155.8 | 170.5 | 178.2 | 176.9 | 0 | 119.1 | |||
| 833 | K | 35.6 | Very low | 37.9 | Very low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | trans | -134.5 | -5 | -178.1 | -135.3 | -179.1 | -177.1 | -175.6 | 0 | 116.9 | L831 | L831-K833 PolarHBondContact O-N 2.83Š| ||
| 834 | A | 27.8 | Very low | 38.3 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | trans | -97.5 | 12.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A836 | A834-A836 PolarHBondContact O-N 3Å; A834-A836 VanDerWaalsContact O-N 3.11Å | ||
| 835 | Y | 31.3 | Very low | 39.4 | Very low | 220 Ų | 220 | 139.3 Ų | 139.3 | 86% | 0.863 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 21.3 | -167.8 | -117.7 | -83.6 | 0 | 0 | 0 | 115 | ||
| 836 | A | 36.5 | Very low | 40.5 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | -7.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A834 | A834-A836 PolarHBondContact O-N 3Å; A834-A836 VanDerWaalsContact O-N 3.11Å |
| 837 | S | 39.8 | Very low | 41.3 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -158.6 | 99.3 | -174.3 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 838 | I | 37.8 | Very low | 42.9 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | trans | 171.7 | 144.1 | 137.6 | -87.6 | 154.5 | 0 | 0 | 0 | 106.8 | D840 | I838-D840 WeakPolarHBondContact CG2-OD1 3.31Š| ||
| 839 | S | 42.7 | Very low | 44.9 | Very low | 90 Ų | 90 | 124.5 Ų | 124.5 | 63% | 0.629 | 67% | 0.667 | S | S | * | * | trans | -117.2 | 98.5 | -172.5 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | D841 | S839-D841 VanDerWaalsContact C-N 3.29Å; S839-D841 PolarHBondContact O-N 3.42Å; S839-D841 VanDerWaalsContact O-N 3.16Å | ||
| 840 | D | 44.7 | Very low | 46.9 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 57% | 0.567 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 45.3 | -173.8 | -61.5 | -32.2 | 0 | 0 | 0 | 113.6 | I838 D843 I844 | I838-D840 WeakPolarHBondContact CG2-OD1 3.31Å; D840-D843 HydrophobicContact CB-CB 4.46Å; D840-I844 WeakPolarHBondContact O-CD1 3.48Å; D840-I844 WeakPolarHBondContact O-CG1 3.26Å |
| 841 | D | 44.3 | Very low | 49.1 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -42.7 | 162.6 | -128.7 | -74.3 | 0 | 0 | 0 | 109.3 | S839 D843 I844 N845 | S839-D841 VanDerWaalsContact C-N 3.29Å; S839-D841 PolarHBondContact O-N 3.42Å; S839-D841 VanDerWaalsContact O-N 3.16Å; D841-D843 VanDerWaalsContact C-N 3.3Å; D841-D843 PolarHBondContact O-N 3.06Å; D841-I844 PolarHBondContact O-N 3.07Å; D841-N845 PolarHBondContact O-N 3.01Å; D841-N845 VanDerWaalsContact O-N 3.08Å; D841-N845 PolarHBondContact O-ND2 2.97Å |
| 842 | D | 45.8 | Very low | 51.6 | Low | 114 Ų | 114 | 115.5 Ų | 115.5 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.5 | -35.3 | 178.7 | -65.1 | -59.8 | 0 | 0 | 0 | 113.4 | N845 R846 | D842-N845 PolarHBondContact O-N 3.01Å; D842-R846 WeakPolarHBondContact O-CB 3.48Å; D842-R846 WeakPolarHBondContact O-CG 3.44Å; D842-R846 PolarHBondContact O-N 3.46Å |
| 843 | D | 49 | Very low | 54.3 | Low | 105 Ų | 105 | 106.7 Ų | 106.7 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.9 | -26.9 | -177.7 | -134.5 | 36.6 | 0 | 0 | 0 | 112.3 | D840 D841 M847 | D840-D843 HydrophobicContact CB-CB 4.46Å; D841-D843 VanDerWaalsContact C-N 3.3Å; D841-D843 PolarHBondContact O-N 3.06Å; D843-M847 PolarHBondContact O-N 2.93Å |
| 844 | I | 49.7 | Very low | 56.9 | Low | 121 Ų | 121 | 100 Ų | 100 | 62% | 0.621 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.4 | -44.1 | 169.9 | -63.2 | 173.5 | 0 | 0 | 0 | 109.6 | D840 D841 M847 G848 | D840-I844 WeakPolarHBondContact O-CD1 3.48Å; D840-I844 WeakPolarHBondContact O-CG1 3.26Å; D841-I844 PolarHBondContact O-N 3.07Å; I844-M847 PolarHBondContact O-N 3.05Å; I844-G848 PolarHBondContact O-N 3.47Å |
| 845 | N | 54.3 | Low | 59.9 | Low | 95 Ų | 95 | 100.2 Ų | 100.2 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 176.3 | -70.2 | -49.2 | 0 | 0 | 0 | 111.6 | D841 D842 M847 G848 E849 | D841-N845 PolarHBondContact O-N 3.01Å; D841-N845 VanDerWaalsContact O-N 3.08Å; D841-N845 PolarHBondContact O-ND2 2.97Å; D842-N845 PolarHBondContact O-N 3.01Å; N845-M847 VanDerWaalsContact C-N 3.28Å; N845-M847 PolarHBondContact O-N 3.47Å; N845-G848 PolarHBondContact O-N 3.01Å; N845-G848 VanDerWaalsContact O-N 3.11Å; N845-E849 WeakPolarHBondContact O-CB 3.46Å; N845-E849 PolarHBondContact O-N 2.82Å |
| 846 | R | 60.2 | Low | 62.6 | Low | 130 Ų | 130 | 94 Ų | 94 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.3 | -35.9 | 172.8 | -84.1 | 178.6 | 165.5 | -94.1 | -15.6 | 113.5 | D842 K850 | D842-R846 WeakPolarHBondContact O-CB 3.48Å; D842-R846 WeakPolarHBondContact O-CG 3.44Å; D842-R846 PolarHBondContact O-N 3.46Å; R846-K850 WeakPolarHBondContact O-CB 3.31Å; R846-K850 PolarHBondContact O-N 3.2Å |
| 847 | M | 55.8 | Low | 65.3 | Low | 124 Ų | 124 | 89.4 Ų | 89.4 | 61% | 0.611 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.3 | -39.4 | 177.1 | -169.8 | 62.8 | 65.5 | 0 | 0 | 111.9 | D843 I844 N845 V851 | D843-M847 PolarHBondContact O-N 2.93Å; I844-M847 PolarHBondContact O-N 3.05Å; N845-M847 VanDerWaalsContact C-N 3.28Å; N845-M847 PolarHBondContact O-N 3.47Å; M847-V851 WeakPolarHBondContact O-CG2 3.41Å; M847-V851 PolarHBondContact O-N 3.1Å |
| 848 | G | 69.4 | Low | 67.7 | Low | 41 Ų | 41 | 88.1 Ų | 88.1 | 42% | 0.423 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.8 | -50.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I844 N845 K850 V851 V852 | I844-G848 PolarHBondContact O-N 3.47Å; N845-G848 PolarHBondContact O-N 3.01Å; N845-G848 VanDerWaalsContact O-N 3.11Å; G848-K850 PolarHBondContact O-N 3.42Å; G848-V851 WeakPolarHBondContact O-CB 3.29Å; G848-V851 PolarHBondContact O-N 3.28Å; G848-V852 PolarHBondContact O-N 3.45Å; G848-V852 VanDerWaalsContact O-N 3.07Å |
| 849 | E | 77.3 | Confident | 70.2 | Confident | 99 Ų | 99 | 86.9 Ų | 86.9 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -53.7 | -48.6 | 175.6 | -177.9 | 175.5 | -130.4 | 0 | 0 | 111.8 | N845 V851 V852 L853 I908 | N845-E849 WeakPolarHBondContact O-CB 3.46Å; N845-E849 PolarHBondContact O-N 2.82Å; E849-V851 PolarHBondContact O-N 3.48Å; E849-V852 PolarHBondContact O-N 3.48Å; E849-V852 VanDerWaalsContact O-N 3.08Å; E849-L853 HydrophobicContact CG-CD1 3.85Å; E849-L853 HydrophobicContact CG-CG 4.37Å; E849-L853 WeakPolarHBondContact O-CB 3.45Å; E849-L853 VanDerWaalsContact O-CG 3.3Å; E849-L853 WeakPolarHBondContact O-CG 3.46Å; E849-L853 PolarHBondContact O-N 2.95Å; E849-I908 HydrophobicContact CB-CD1 4.41Å; E849-I908 HydrophobicContact CG-CD1 4.13Å |
| 850 | K | 80.5 | Confident | 72.6 | Confident | 61 Ų | 61 | 83.8 Ų | 83.8 | 27% | 0.265 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.6 | -28.9 | 176.3 | -171.6 | 173 | -174.9 | 173.3 | 0 | 113.7 | R846 G848 R854 I908 L911 | R846-K850 WeakPolarHBondContact O-CB 3.31Å; R846-K850 PolarHBondContact O-N 3.2Å; G848-K850 PolarHBondContact O-N 3.42Å; K850-R854 WeakPolarHBondContact O-CB 3.45Å; K850-R854 WeakPolarHBondContact O-CD 3.12Å; K850-R854 WeakPolarHBondContact O-CG 3.34Å; K850-R854 PolarHBondContact O-N 2.9Å; K850-I908 HydrophobicContact CB-CB 4.5Å; K850-I908 HydrophobicContact CB-CD1 4.02Å; K850-I908 HydrophobicContact CB-CG1 4.01Å; K850-I908 HydrophobicContact CD-CB 4.3Å; K850-I908 HydrophobicContact CG-CB 4.31Å; K850-I908 HydrophobicContact CG-CG1 4.27Å; K850-L911 HydrophobicContact CG-CD1 4.45Å |
| 851 | V | 82.1 | Confident | 74.8 | Confident | 89 Ų | 89 | 78.7 Ų | 78.7 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -75.9 | -40.1 | 174 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | M847 G848 E849 R854 E855 | M847-V851 WeakPolarHBondContact O-CG2 3.41Å; M847-V851 PolarHBondContact O-N 3.1Å; G848-V851 WeakPolarHBondContact O-CB 3.29Å; G848-V851 PolarHBondContact O-N 3.28Å; E849-V851 PolarHBondContact O-N 3.48Å; V851-R854 PolarHBondContact O-N 2.66Å; V851-E855 PolarHBondContact O-N 3.23Å |
| 852 | V | 85.9 | Confident | 77.1 | Confident | 81 Ų | 81 | 74.6 Ų | 74.6 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.4 | -50.8 | 175 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | G848 E849 R854 E855 Q856 | G848-V852 PolarHBondContact O-N 3.45Å; G848-V852 VanDerWaalsContact O-N 3.07Å; E849-V852 PolarHBondContact O-N 3.48Å; E849-V852 VanDerWaalsContact O-N 3.08Å; V852-R854 PolarHBondContact O-N 3.31Å; V852-E855 PolarHBondContact O-N 3.28Å; V852-E855 VanDerWaalsContact O-N 3.13Å; V852-Q856 HydrophobicContact CG1-CG 4.38Å; V852-Q856 WeakPolarHBondContact O-CG 3.36Å; V852-Q856 PolarHBondContact O-N 3.03Å |
| 853 | L | 89.4 | Confident | 79.2 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.9 | -34.8 | 177.9 | -68.8 | 167.7 | 0 | 0 | 0 | 112.5 | E849 V857 I908 L911 E912 L915 | E849-L853 HydrophobicContact CG-CD1 3.85Å; E849-L853 HydrophobicContact CG-CG 4.37Å; E849-L853 WeakPolarHBondContact O-CB 3.45Å; E849-L853 VanDerWaalsContact O-CG 3.3Å; E849-L853 WeakPolarHBondContact O-CG 3.46Å; E849-L853 PolarHBondContact O-N 2.95Å; L853-V857 WeakPolarHBondContact O-CG2 3.33Å; L853-V857 PolarHBondContact O-N 3.5Å; L853-I908 HydrophobicContact CD1-CD1 4.17Å; L853-I908 HydrophobicContact CD1-CG1 3.51Å; L853-L911 HydrophobicContact CB-CB 3.94Å; L853-L911 HydrophobicContact CB-CD1 4.08Å; L853-E912 HydrophobicContact CD1-CG 3.91Å; L853-E912 HydrophobicContact CD2-CG 4.33Å; L853-L915 HydrophobicContact CD2-CD1 3.56Å |
| 854 | R | 90.8 | Very high | 81.2 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 22% | 0.223 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 176.2 | -82 | 171.6 | 175 | -154 | -11.2 | 113.2 | K850 V851 V852 K858 N904 Y906 L911 | K850-R854 WeakPolarHBondContact O-CB 3.45Å; K850-R854 WeakPolarHBondContact O-CD 3.12Å; K850-R854 WeakPolarHBondContact O-CG 3.34Å; K850-R854 PolarHBondContact O-N 2.9Å; V851-R854 PolarHBondContact O-N 2.66Å; V852-R854 PolarHBondContact O-N 3.31Å; R854-K858 WeakPolarHBondContact O-CB 3.38Å; R854-K858 PolarHBondContact O-N 3.46Å; R854-N904 VanDerWaalsContact CZ-O 3.24Å; R854-N904 PolarHBondContact NH1-O 3.14Å; R854-N904 PolarHBondContact NH2-O 3.08Å; R854-Y906 PolarHBondContact NH2-O 3.46Å; R854-L911 HydrophobicContact CG-CD1 3.49Å; R854-L911 VanDerWaalsContact CG-CD1 3.49Å; R854-L911 HydrophobicContact CG-CD2 4.23Å |
| 855 | E | 90.1 | Very high | 83 | Confident | 94 Ų | 94 | 66.3 Ų | 66.3 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.5 | -38.8 | 176.8 | -75.3 | -61.7 | 141.8 | 0 | 0 | 111.3 | V851 V852 K858 E859 | V851-E855 PolarHBondContact O-N 3.23Å; V852-E855 PolarHBondContact O-N 3.28Å; V852-E855 VanDerWaalsContact O-N 3.13Å; E855-K858 CarbonylContact O-C 3.18Å; E855-K858 WeakPolarHBondContact O-CB 3.33Å; E855-K858 PolarHBondContact O-N 3.1Å; E855-K858 IonicContact OE1-NZ 3.73Å; E855-K858 PolarHBondContact OE1-NZ 3.21Å; E855-K858 IonicContact OE2-NZ 2.69Å; E855-K858 PolarHBondContact OE2-NZ 2.93Å; E855-E859 WeakPolarHBondContact O-CB 3.3Å; E855-E859 PolarHBondContact O-N 3.39Å |
| 856 | Q | 88.9 | Confident | 84.5 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 174.1 | -71.9 | 173.6 | -30 | 0 | 0 | 112.8 | V852 K858 E859 L860 L915 | V852-Q856 HydrophobicContact CG1-CG 4.38Å; V852-Q856 WeakPolarHBondContact O-CG 3.36Å; V852-Q856 PolarHBondContact O-N 3.03Å; Q856-K858 VanDerWaalsContact C-N 3.31Å; Q856-K858 PolarHBondContact O-N 2.94Å; Q856-E859 PolarHBondContact O-N 3.01Å; Q856-L860 WeakPolarHBondContact O-CB 3.32Å; Q856-L860 PolarHBondContact O-N 2.94Å; Q856-L915 HydrophobicContact CB-CD1 3.87Å; Q856-L915 HydrophobicContact CB-CD2 4.01Å |
| 857 | V | 92.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -35 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | L853 F861 P903 L911 I914 L915 | L853-V857 WeakPolarHBondContact O-CG2 3.33Å; L853-V857 PolarHBondContact O-N 3.5Å; V857-F861 HydrophobicContact CG1-CD1 4.34Å; V857-F861 HydrophobicContact CG1-CD2 4.19Å; V857-F861 HydrophobicContact CG1-CE1 4.05Å; V857-F861 HydrophobicContact CG1-CE2 3.91Å; V857-F861 HydrophobicContact CG1-CG 4.41Å; V857-F861 HydrophobicContact CG1-CZ 3.83Å; V857-F861 WeakPolarHBondContact O-CB 3.45Å; V857-F861 WeakPolarHBondContact O-CG 3.4Å; V857-F861 PolarHBondContact O-N 3.24Å; V857-P903 HydrophobicContact CB-CB 4.46Å; V857-P903 HydrophobicContact CG1-CB 4.2Å; V857-P903 HydrophobicContact CG1-CG 4.02Å; V857-L911 HydrophobicContact CB-CD2 3.8Å; V857-L911 HydrophobicContact CG1-CD2 4.1Å; V857-L911 HydrophobicContact CG2-CB 4.12Å; V857-L911 HydrophobicContact CG2-CD2 3.68Å; V857-I914 HydrophobicContact CG1-CB 4.46Å; V857-I914 HydrophobicContact CG1-CD1 4.31Å; V857-I914 HydrophobicContact CG1-CG2 3.77Å; V857-I914 HydrophobicContact CG2-CB 4.2Å; V857-I914 HydrophobicContact CG2-CG2 4.03Å; V857-L915 HydrophobicContact CG2-CD1 4.17Å; V857-L915 HydrophobicContact CG2-CD2 3.64Å; V857-L915 HydrophobicContact CG2-CG 3.58Å |
| 858 | K | 91.6 | Very high | 87.2 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 30% | 0.304 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 175.4 | 170.8 | 167.1 | 156 | -99 | 0 | 112.2 | R854 E855 Q856 N862 P903 | R854-K858 WeakPolarHBondContact O-CB 3.38Å; R854-K858 PolarHBondContact O-N 3.46Å; E855-K858 CarbonylContact O-C 3.18Å; E855-K858 WeakPolarHBondContact O-CB 3.33Å; E855-K858 PolarHBondContact O-N 3.1Å; E855-K858 IonicContact OE1-NZ 3.73Å; E855-K858 PolarHBondContact OE1-NZ 3.21Å; E855-K858 IonicContact OE2-NZ 2.69Å; E855-K858 PolarHBondContact OE2-NZ 2.93Å; Q856-K858 VanDerWaalsContact C-N 3.31Å; Q856-K858 PolarHBondContact O-N 2.94Å; K858-N862 WeakPolarHBondContact O-CB 3.4Å; K858-N862 PolarHBondContact O-N 3.49Å; K858-N862 PolarHBondContact O-ND2 2.71Å; K858-N862 VanDerWaalsContact O-ND2 3.16Å; K858-N862 PolarHBondContact O-OD1 2.97Å; K858-P903 HydrophobicContact CB-CB 4.26Å; K858-P903 HydrophobicContact CB-CG 4.01Å |
| 859 | E | 90.1 | Very high | 87.8 | Confident | 127 Ų | 127 | 56.8 Ų | 56.8 | 59% | 0.593 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.9 | -47.6 | 173.1 | -176.7 | 168.7 | -158.3 | 0 | 0 | 111.4 | E855 Q856 F861 N862 K863 | E855-E859 WeakPolarHBondContact O-CB 3.3Å; E855-E859 PolarHBondContact O-N 3.39Å; Q856-E859 PolarHBondContact O-N 3.01Å; E859-F861 PolarHBondContact O-N 2.85Å; E859-N862 PolarHBondContact O-N 2.96Å; E859-K863 WeakPolarHBondContact O-CB 3.24Å; E859-K863 PolarHBondContact O-N 3.02Å |
| 860 | L | 91.7 | Very high | 88 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -53.4 | -51.6 | 174.5 | 172.9 | 65.1 | 0 | 0 | 0 | 112 | Q856 K863 K864 I914 L915 A918 | Q856-L860 WeakPolarHBondContact O-CB 3.32Å; Q856-L860 PolarHBondContact O-N 2.94Å; L860-K863 PolarHBondContact O-N 3.46Å; L860-K864 HydrophobicContact CD1-CG 4.01Å; L860-K864 WeakPolarHBondContact O-CG 3.1Å; L860-K864 PolarHBondContact O-N 3.49Å; L860-I914 HydrophobicContact CD2-CG2 4.16Å; L860-L915 HydrophobicContact CD2-CD2 4.12Å; L860-A918 HydrophobicContact CD1-CB 3.82Å; L860-A918 HydrophobicContact CD2-CB 3.68Å; L860-A918 HydrophobicContact CG-CB 4.41Å |
| 861 | F | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 179 | -73.8 | -0.9 | 0 | 0 | 0 | 111.9 | V857 E859 K863 Y865 V877 Y879 L894 F900 P903 Y906 I914 V921 F923 | V857-F861 HydrophobicContact CG1-CD1 4.34Å; V857-F861 HydrophobicContact CG1-CD2 4.19Å; V857-F861 HydrophobicContact CG1-CE1 4.05Å; V857-F861 HydrophobicContact CG1-CE2 3.91Å; V857-F861 HydrophobicContact CG1-CG 4.41Å; V857-F861 HydrophobicContact CG1-CZ 3.83Å; V857-F861 WeakPolarHBondContact O-CB 3.45Å; V857-F861 WeakPolarHBondContact O-CG 3.4Å; V857-F861 PolarHBondContact O-N 3.24Å; E859-F861 PolarHBondContact O-N 2.85Å; F861-K863 VanDerWaalsContact C-N 3.33Å; F861-K863 PolarHBondContact O-N 2.99Å; F861-Y865 WeakPolarHBondContact O-CB 3.37Å; F861-Y865 PolarHBondContact O-N 3.45Å; F861-V877 HydrophobicContact CB-CG2 4.11Å; F861-V877 VanDerWaalsContact O-CG2 3.31Å; F861-V877 WeakPolarHBondContact O-CG2 3.29Å; F861-Y879 HydrophobicContact CD2-CE1 4.19Å; F861-L894 HydrophobicContact CE1-CD2 4.03Å; F861-L894 HydrophobicContact CZ-CD2 3.85Å; F861-F900 HydrophobicContact CD2-CD2 4.48Å; F861-F900 AromaticContact CD2-CE2 3.75Å; F861-F900 HydrophobicContact CD2-CE2 3.75Å; F861-F900 AromaticContact CE2-CD2 4Å; F861-F900 HydrophobicContact CE2-CD2 4Å; F861-F900 AromaticContact CE2-CE2 3.7Å; F861-F900 HydrophobicContact CE2-CE2 3.7Å; F861-F900 HydrophobicContact CG-CE2 4.42Å; F861-F900 HydrophobicContact CZ-CD2 4.34Å; F861-F900 HydrophobicContact CZ-CE2 4.35Å; F861-P903 HydrophobicContact CD2-CG 3.99Å; F861-P903 HydrophobicContact CE2-CG 4.28Å; F861-Y906 HydrophobicContact CE2-CE2 4.2Å; F861-Y906 HydrophobicContact CZ-CE2 4.47Å; F861-I914 HydrophobicContact CE1-CG2 3.61Å; F861-I914 HydrophobicContact CZ-CD1 4.24Å; F861-I914 HydrophobicContact CZ-CG2 3.87Å; F861-V921 HydrophobicContact CD1-CG1 4.14Å; F861-V921 HydrophobicContact CE1-CG1 3.99Å; F861-F923 HydrophobicContact CB-CE2 4.42Å; F861-F923 HydrophobicContact CB-CZ 4.14Å; F861-F923 HydrophobicContact CD1-CE2 4.29Å; F861-F923 HydrophobicContact CD1-CZ 4.42Å; F861-F923 HydrophobicContact CG-CE2 4.47Å; F861-F923 HydrophobicContact CG-CZ 4.22Å |
| 862 | N | 91.4 | Very high | 87.7 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 175.8 | -68.6 | -19.6 | 0 | 0 | 0 | 111.9 | K858 E859 G866 S874 V875 V876 V877 | K858-N862 WeakPolarHBondContact O-CB 3.4Å; K858-N862 PolarHBondContact O-N 3.49Å; K858-N862 PolarHBondContact O-ND2 2.71Å; K858-N862 VanDerWaalsContact O-ND2 3.16Å; K858-N862 PolarHBondContact O-OD1 2.97Å; E859-N862 PolarHBondContact O-N 2.96Å; N862-G866 PolarHBondContact O-N 3.13Å; N862-S874 CarbonylContact O-C 3.2Å; N862-S874 WeakPolarHBondContact O-CA 3.39Å; N862-V875 CarbonylContact C-O 3.42Å; N862-V875 WeakPolarHBondContact CA-O 3.38Å; N862-V875 WeakPolarHBondContact CB-O 3.38Å; N862-V875 PolarHBondContact O-N 3.18Å; N862-V875 VanDerWaalsContact O-O 3.13Å; N862-V875 PolarHBondContact OD1-O 3.2Å; N862-V876 WeakPolarHBondContact OD1-CA 3.28Å; N862-V877 WeakPolarHBondContact OD1-CG2 3.41Å; N862-V877 PolarHBondContact OD1-N 2.72Å; N862-V877 VanDerWaalsContact OD1-N 3.11Å |
| 863 | K | 90.5 | Very high | 87.3 | Confident | 112 Ų | 112 | 64.4 Ų | 64.4 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66 | -53.1 | 176.2 | -177.2 | 174.8 | 175.3 | 178.1 | 0 | 111 | E859 L860 F861 Y865 G866 E867 | E859-K863 WeakPolarHBondContact O-CB 3.24Å; E859-K863 PolarHBondContact O-N 3.02Å; L860-K863 PolarHBondContact O-N 3.46Å; F861-K863 VanDerWaalsContact C-N 3.33Å; F861-K863 PolarHBondContact O-N 2.99Å; K863-Y865 VanDerWaalsContact C-N 3.3Å; K863-Y865 PolarHBondContact O-N 3.49Å; K863-G866 WeakPolarHBondContact O-CA 3.41Å; K863-G866 PolarHBondContact O-N 2.93Å; K863-E867 WeakPolarHBondContact CE-OE1 3.48Å; K863-E867 WeakPolarHBondContact CG-OE1 3.45Å; K863-E867 WeakPolarHBondContact O-CG 3.47Å; K863-E867 PolarHBondContact O-N 3.29Å |
| 864 | K | 89.9 | Confident | 87.1 | Confident | 40 Ų | 40 | 66.6 Ų | 66.6 | 17% | 0.174 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.2 | -32.1 | 179.3 | -68.6 | -57.3 | -172.9 | -173.9 | 0 | 113.8 | L860 E867 A868 V921 F923 | L860-K864 HydrophobicContact CD1-CG 4.01Å; L860-K864 WeakPolarHBondContact O-CG 3.1Å; L860-K864 PolarHBondContact O-N 3.49Å; K864-E867 WeakPolarHBondContact CD-OE2 3.34Å; K864-E867 IonicContact NZ-OE1 3.17Å; K864-E867 IonicContact NZ-OE2 3.48Å; K864-E867 PolarHBondContact NZ-OE2 3.44Å; K864-A868 VanDerWaalsContact O-CB 3.32Å; K864-A868 WeakPolarHBondContact O-CB 3.25Å; K864-A868 PolarHBondContact O-N 3.11Å; K864-V921 WeakPolarHBondContact CD-O 3.17Å; K864-V921 HydrophobicContact CG-CG1 4.46Å; K864-V921 WeakPolarHBondContact CG-O 3.4Å; K864-F923 HydrophobicContact CB-CD2 3.64Å; K864-F923 HydrophobicContact CB-CE2 3.93Å |
| 865 | Y | 88.6 | Confident | 86.9 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 6% | 0.059 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.9 | -32.6 | 171.6 | -174.7 | -108.9 | 0 | 0 | 0 | 113 | F861 K863 L869 V875 V877 P878 V889 F923 I925 | F861-Y865 WeakPolarHBondContact O-CB 3.37Å; F861-Y865 PolarHBondContact O-N 3.45Å; K863-Y865 VanDerWaalsContact C-N 3.3Å; K863-Y865 PolarHBondContact O-N 3.49Å; Y865-L869 HydrophobicContact CD1-CD1 3.96Å; Y865-L869 HydrophobicContact CE1-CD1 3.58Å; Y865-L869 HydrophobicContact CE1-CG 4.47Å; Y865-L869 WeakPolarHBondContact O-CG 3.41Å; Y865-L869 PolarHBondContact O-N 2.87Å; Y865-L869 VanDerWaalsContact O-N 3.15Å; Y865-V875 HydrophobicContact CD1-CB 4.1Å; Y865-V875 HydrophobicContact CD1-CG1 4.01Å; Y865-V875 HydrophobicContact CE1-CG1 4Å; Y865-V877 HydrophobicContact CD1-CB 4.4Å; Y865-V877 HydrophobicContact CD1-CG1 4.46Å; Y865-V877 HydrophobicContact CD1-CG2 4.16Å; Y865-V877 HydrophobicContact CD2-CG1 4.19Å; Y865-V877 HydrophobicContact CG-CB 4.38Å; Y865-V877 HydrophobicContact CG-CG1 4.14Å; Y865-V877 HydrophobicContact CG-CG2 3.93Å; Y865-P878 VanDerWaalsContact CE1-CD 3.44Å; Y865-P878 HydrophobicContact CE1-CG 4.33Å; Y865-P878 VanDerWaalsContact CZ-CD 3.44Å; Y865-P878 WeakPolarHBondContact OH-CD 3.37Å; Y865-P878 WeakPolarHBondContact OH-CG 3.41Å; Y865-V889 HydrophobicContact CE2-CG1 4.48Å; Y865-V889 HydrophobicContact CE2-CG2 4.39Å; Y865-F923 AromaticContact CD2-CD1 3.75Å; Y865-F923 HydrophobicContact CD2-CD1 3.75Å; Y865-F923 HydrophobicContact CD2-CE1 4.22Å; Y865-F923 HydrophobicContact CD2-CG 4.4Å; Y865-F923 HydrophobicContact CG-CD1 4.47Å; Y865-I925 HydrophobicContact CD2-CD1 4.32Å; Y865-I925 HydrophobicContact CE2-CD1 3.92Å |
| 866 | G | 86.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.1 | -50.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | N862 K863 A868 L869 G870 L871 R873 | N862-G866 PolarHBondContact O-N 3.13Å; K863-G866 WeakPolarHBondContact O-CA 3.41Å; K863-G866 PolarHBondContact O-N 2.93Å; G866-A868 VanDerWaalsContact C-N 3.29Å; G866-A868 PolarHBondContact O-N 2.95Å; G866-L869 WeakPolarHBondContact O-CA 3.42Å; G866-L869 WeakPolarHBondContact O-CB 3.46Å; G866-L869 PolarHBondContact O-N 2.88Å; G866-G870 PolarHBondContact O-N 3.18Å; G866-L871 CarbonylContact C-O 3.48Å; G866-L871 PolarHBondContact O-N 2.82Å; G866-L871 VanDerWaalsContact O-O 3.09Å; G866-R873 WeakPolarHBondContact CA-O 3.29Å |
| 867 | E | 86.8 | Confident | 86.8 | Confident | 84 Ų | 84 | 62.5 Ų | 62.5 | 39% | 0.393 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -52.6 | -46.4 | 173.6 | -71.2 | 172.7 | -157.5 | 0 | 0 | 111 | K863 K864 L869 G870 | K863-E867 WeakPolarHBondContact CE-OE1 3.48Å; K863-E867 WeakPolarHBondContact CG-OE1 3.45Å; K863-E867 WeakPolarHBondContact O-CG 3.47Å; K863-E867 PolarHBondContact O-N 3.29Å; K864-E867 WeakPolarHBondContact CD-OE2 3.34Å; K864-E867 IonicContact NZ-OE1 3.17Å; K864-E867 IonicContact NZ-OE2 3.48Å; K864-E867 PolarHBondContact NZ-OE2 3.44Å; E867-L869 VanDerWaalsContact C-N 3.28Å; E867-L869 PolarHBondContact O-N 2.98Å; E867-G870 PolarHBondContact O-N 3.33Å |
| 868 | A | 85.1 | Confident | 86.4 | Confident | 38 Ų | 38 | 64.2 Ų | 64.2 | 31% | 0.314 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.3 | -19.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | K864 G866 G870 F923 I925 | K864-A868 VanDerWaalsContact O-CB 3.32Å; K864-A868 WeakPolarHBondContact O-CB 3.25Å; K864-A868 PolarHBondContact O-N 3.11Å; G866-A868 VanDerWaalsContact C-N 3.29Å; G866-A868 PolarHBondContact O-N 2.95Å; A868-G870 VanDerWaalsContact C-N 3.29Å; A868-F923 HydrophobicContact CB-CB 3.62Å; A868-F923 WeakPolarHBondContact CB-O 3.12Å; A868-I925 HydrophobicContact CB-CD1 4.08Å; A868-I925 HydrophobicContact CB-CG1 4.24Å |
| 869 | L | 82.8 | Confident | 86.1 | Confident | 68 Ų | 68 | 62.8 Ų | 62.8 | 36% | 0.356 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.9 | 170.3 | -75.6 | 168.6 | 0 | 0 | 0 | 112.8 | Y865 G866 E867 L871 V875 I925 | Y865-L869 HydrophobicContact CD1-CD1 3.96Å; Y865-L869 HydrophobicContact CE1-CD1 3.58Å; Y865-L869 HydrophobicContact CE1-CG 4.47Å; Y865-L869 WeakPolarHBondContact O-CG 3.41Å; Y865-L869 PolarHBondContact O-N 2.87Å; Y865-L869 VanDerWaalsContact O-N 3.15Å; G866-L869 WeakPolarHBondContact O-CA 3.42Å; G866-L869 WeakPolarHBondContact O-CB 3.46Å; G866-L869 PolarHBondContact O-N 2.88Å; E867-L869 VanDerWaalsContact C-N 3.28Å; E867-L869 PolarHBondContact O-N 2.98Å; L869-L871 VanDerWaalsContact C-N 3.27Å; L869-L871 HydrophobicContact CB-CD1 4.06Å; L869-L871 HydrophobicContact CB-CG 4.2Å; L869-L871 HydrophobicContact CD1-CD1 4.46Å; L869-L871 PolarHBondContact O-N 3.47Å; L869-V875 HydrophobicContact CD1-CB 4.2Å; L869-V875 HydrophobicContact CD1-CG1 3.92Å; L869-V875 HydrophobicContact CD1-CG2 4.28Å; L869-I925 HydrophobicContact CD2-CD1 3.5Å; L869-I925 VanDerWaalsContact CD2-CD1 3.5Å; L869-I925 HydrophobicContact CG-CD1 3.63Å |
| 870 | G | 80.7 | Confident | 85.6 | Confident | 73 Ų | 73 | 65.9 Ų | 65.9 | 75% | 0.753 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 22.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G866 E867 A868 | G866-G870 PolarHBondContact O-N 3.18Å; E867-G870 PolarHBondContact O-N 3.33Å; A868-G870 VanDerWaalsContact C-N 3.29Å |
| 871 | L | 80.8 | Confident | 84.9 | Confident | 66 Ų | 66 | 69 Ų | 69 | 35% | 0.346 | 37% | 0.366 | S | S | . | . | trans | -111 | 119.9 | -177.9 | -67 | 173.5 | 0 | 0 | 0 | 110.2 | G866 L869 R873 V875 | G866-L871 CarbonylContact C-O 3.48Å; G866-L871 PolarHBondContact O-N 2.82Å; G866-L871 VanDerWaalsContact O-O 3.09Å; L869-L871 VanDerWaalsContact C-N 3.27Å; L869-L871 HydrophobicContact CB-CD1 4.06Å; L869-L871 HydrophobicContact CB-CG 4.2Å; L869-L871 HydrophobicContact CD1-CD1 4.46Å; L869-L871 PolarHBondContact O-N 3.47Å; L871-R873 HydrophobicContact CB-CG 4.2Å; L871-R873 PolarHBondContact O-N 3.46Å; L871-V875 HydrophobicContact CD1-CG2 3.85Å | ||
| 872 | D | 76.6 | Confident | 84.3 | Confident | 174 Ų | 174 | 69.4 Ų | 69.4 | 93% | 0.93 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -76.2 | 48.9 | 176.1 | -165.8 | 26.2 | 0 | 0 | 0 | 112.3 | ||
| 873 | R | 77.6 | Confident | 83.5 | Confident | 177 Ų | 177 | 77.3 Ų | 77.3 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -161.5 | 144 | 178.2 | 58.8 | 178.6 | -176.5 | 173.6 | -0.1 | 110.4 | G866 L871 V875 | G866-R873 WeakPolarHBondContact CA-O 3.29Å; L871-R873 HydrophobicContact CB-CG 4.2Å; L871-R873 PolarHBondContact O-N 3.46Å; R873-V875 PolarHBondContact O-N 3.35Å |
| 874 | S | 83.9 | Confident | 82.6 | Confident | 65 Ų | 65 | 75.2 Ų | 75.2 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | trans | -62.2 | 127.7 | 176.8 | -53.3 | 0 | 0 | 0 | 0 | 112 | N862 | N862-S874 CarbonylContact O-C 3.2Å; N862-S874 WeakPolarHBondContact O-CA 3.39Å | ||
| 875 | V | 86.5 | Confident | 81.7 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 22% | 0.224 | 41% | 0.413 | C | S | . | . | trans | -115.4 | 134 | 179.2 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | N862 Y865 L869 L871 R873 V877 | N862-V875 CarbonylContact C-O 3.42Å; N862-V875 WeakPolarHBondContact CA-O 3.38Å; N862-V875 WeakPolarHBondContact CB-O 3.38Å; N862-V875 PolarHBondContact O-N 3.18Å; N862-V875 VanDerWaalsContact O-O 3.13Å; N862-V875 PolarHBondContact OD1-O 3.2Å; Y865-V875 HydrophobicContact CD1-CB 4.1Å; Y865-V875 HydrophobicContact CD1-CG1 4.01Å; Y865-V875 HydrophobicContact CE1-CG1 4Å; L869-V875 HydrophobicContact CD1-CB 4.2Å; L869-V875 HydrophobicContact CD1-CG1 3.92Å; L869-V875 HydrophobicContact CD1-CG2 4.28Å; L871-V875 HydrophobicContact CD1-CG2 3.85Å; R873-V875 PolarHBondContact O-N 3.35Å; V875-V877 PolarHBondContact O-N 2.72Å; V875-V877 VanDerWaalsContact O-N 3.16Å | ||
| 876 | V | 89.2 | Confident | 80.8 | Confident | 116 Ų | 116 | 78.8 Ų | 78.8 | 70% | 0.703 | 44% | 0.437 | S | S | * | . | trans | -63.8 | 117.2 | -177.8 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | N862 | N862-V876 WeakPolarHBondContact OD1-CA 3.28Š| ||
| 877 | V | 87.8 | Confident | 80.1 | Confident | 3 Ų | 3 | 85.8 Ų | 85.8 | 2% | 0.018 | 47% | 0.47 | C | S | . | . | trans | -67.5 | 125.9 | -176.4 | -166.5 | 0 | 0 | 0 | 0 | 111.5 | F861 N862 Y865 V875 Y879 I882 F900 F923 | F861-V877 HydrophobicContact CB-CG2 4.11Å; F861-V877 VanDerWaalsContact O-CG2 3.31Å; F861-V877 WeakPolarHBondContact O-CG2 3.29Å; N862-V877 WeakPolarHBondContact OD1-CG2 3.41Å; N862-V877 PolarHBondContact OD1-N 2.72Å; N862-V877 VanDerWaalsContact OD1-N 3.11Å; Y865-V877 HydrophobicContact CD1-CB 4.4Å; Y865-V877 HydrophobicContact CD1-CG1 4.46Å; Y865-V877 HydrophobicContact CD1-CG2 4.16Å; Y865-V877 HydrophobicContact CD2-CG1 4.19Å; Y865-V877 HydrophobicContact CG-CB 4.38Å; Y865-V877 HydrophobicContact CG-CG1 4.14Å; Y865-V877 HydrophobicContact CG-CG2 3.93Å; V875-V877 PolarHBondContact O-N 2.72Å; V875-V877 VanDerWaalsContact O-N 3.16Å; V877-Y879 VanDerWaalsContact C-N 3.28Å; V877-Y879 HydrophobicContact CB-CD2 4.34Å; V877-Y879 HydrophobicContact CB-CE1 4.34Å; V877-Y879 HydrophobicContact CB-CE2 3.85Å; V877-Y879 HydrophobicContact CG1-CE1 4.42Å; V877-Y879 WeakPolarHBondContact O-CD2 3.41Å; V877-Y879 VanDerWaalsContact O-CE2 3.3Å; V877-Y879 WeakPolarHBondContact O-CE2 3.47Å; V877-Y879 PolarHBondContact O-N 2.64Å; V877-I882 HydrophobicContact CG1-CD1 3.5Å; V877-F900 HydrophobicContact CG1-CZ 4.04Å; V877-F923 HydrophobicContact CG1-CE1 4.01Å | ||
| 878 | P | 84.1 | Confident | 79.5 | Confident | 36 Ų | 36 | 82.1 Ų | 82.1 | 23% | 0.234 | 45% | 0.454 | C | S | . | . | trans | -83.9 | 64.9 | -176.6 | 34.7 | -36.7 | 0 | 0 | 0 | 111.9 | Y865 K880 L881 I882 L929 | Y865-P878 VanDerWaalsContact CE1-CD 3.44Å; Y865-P878 HydrophobicContact CE1-CG 4.33Å; Y865-P878 VanDerWaalsContact CZ-CD 3.44Å; Y865-P878 WeakPolarHBondContact OH-CD 3.37Å; Y865-P878 WeakPolarHBondContact OH-CG 3.41Å; P878-K880 PolarHBondContact O-N 3.48Å; P878-L881 HydrophobicContact CB-CB 4.25Å; P878-L881 HydrophobicContact CB-CD1 4.04Å; P878-L881 HydrophobicContact CB-CG 4.23Å; P878-L881 PolarHBondContact O-N 3.15Å; P878-I882 HydrophobicContact CG-CD1 4.4Å; P878-I882 HydrophobicContact CG-CG1 4.42Å; P878-I882 PolarHBondContact O-N 3Å; P878-L929 HydrophobicContact CG-CD1 3.95Å | ||
| 879 | Y | 85.1 | Confident | 79.4 | Confident | 40 Ų | 40 | 80.6 Ų | 80.6 | 16% | 0.157 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -47.3 | -29.3 | -175.3 | -59.1 | -87.1 | 0 | 0 | 0 | 115.5 | F861 V877 R883 F900 N902 P903 | F861-Y879 HydrophobicContact CD2-CE1 4.19Å; V877-Y879 VanDerWaalsContact C-N 3.28Å; V877-Y879 HydrophobicContact CB-CD2 4.34Å; V877-Y879 HydrophobicContact CB-CE1 4.34Å; V877-Y879 HydrophobicContact CB-CE2 3.85Å; V877-Y879 HydrophobicContact CG1-CE1 4.42Å; V877-Y879 WeakPolarHBondContact O-CD2 3.41Å; V877-Y879 VanDerWaalsContact O-CE2 3.3Å; V877-Y879 WeakPolarHBondContact O-CE2 3.47Å; V877-Y879 PolarHBondContact O-N 2.64Å; Y879-R883 WeakPolarHBondContact O-CB 3.44Å; Y879-R883 PolarHBondContact O-N 3.41Å; Y879-F900 HydrophobicContact CD1-CE1 4.09Å; Y879-F900 HydrophobicContact CD1-CE2 4.4Å; Y879-F900 AromaticContact CD1-CZ 3.66Å; Y879-F900 HydrophobicContact CD1-CZ 3.66Å; Y879-F900 HydrophobicContact CE1-CE1 4.42Å; Y879-F900 AromaticContact CE1-CE2 3.94Å; Y879-F900 HydrophobicContact CE1-CE2 3.94Å; Y879-F900 AromaticContact CE1-CZ 3.55Å; Y879-F900 HydrophobicContact CE1-CZ 3.55Å; Y879-N902 HydrophobicContact CD1-CB 4.29Å; Y879-N902 WeakPolarHBondContact CD2-ND2 3.09Å; Y879-N902 HydrophobicContact CG-CB 4.32Å; Y879-P903 WeakPolarHBondContact OH-CD 3.29Å |
| 880 | K | 79.3 | Confident | 79.3 | Confident | 192 Ų | 192 | 81.6 Ų | 81.6 | 84% | 0.835 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -73.4 | -37.8 | 176.4 | -73.2 | -171.5 | 175.9 | -175.8 | 0 | 113.3 | P878 G884 | P878-K880 PolarHBondContact O-N 3.48Å; K880-G884 PolarHBondContact O-N 3.08Å |
| 881 | L | 77 | Confident | 79.5 | Confident | 89 Ų | 89 | 79.6 Ų | 79.6 | 47% | 0.466 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -74.9 | -43.4 | 179.5 | -60.5 | -178.2 | 0 | 0 | 0 | 110.7 | P878 R883 G884 S885 L929 | P878-L881 HydrophobicContact CB-CB 4.25Å; P878-L881 HydrophobicContact CB-CD1 4.04Å; P878-L881 HydrophobicContact CB-CG 4.23Å; P878-L881 PolarHBondContact O-N 3.15Å; L881-R883 VanDerWaalsContact C-N 3.33Å; L881-R883 PolarHBondContact O-N 3.39Å; L881-G884 CarbonylContact O-C 3.53Å; L881-G884 WeakPolarHBondContact O-CA 3.39Å; L881-G884 PolarHBondContact O-N 3.49Å; L881-S885 PolarHBondContact O-N 3.39Å; L881-S885 PolarHBondContact O-OG 3.11Å; L881-L929 HydrophobicContact CB-CD1 4.16Å; L881-L929 HydrophobicContact CB-CD2 4.09Å |
| 882 | I | 81.6 | Confident | 79.6 | Confident | 10 Ų | 10 | 77.7 Ų | 77.7 | 5% | 0.051 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 174.9 | -60.3 | 169.7 | 0 | 0 | 0 | 110.4 | V877 P878 G884 S885 V889 F900 L929 | V877-I882 HydrophobicContact CG1-CD1 3.5Å; P878-I882 HydrophobicContact CG-CD1 4.4Å; P878-I882 HydrophobicContact CG-CG1 4.42Å; P878-I882 PolarHBondContact O-N 3Å; I882-G884 VanDerWaalsContact C-N 3.29Å; I882-G884 PolarHBondContact O-N 3.24Å; I882-S885 CarbonylContact O-C 3.59Å; I882-S885 PolarHBondContact O-N 3.46Å; I882-V889 HydrophobicContact CD1-CB 4.27Å; I882-V889 HydrophobicContact CD1-CG1 4.21Å; I882-V889 HydrophobicContact CD1-CG2 4.38Å; I882-V889 HydrophobicContact CG1-CB 4.1Å; I882-V889 HydrophobicContact CG1-CG2 4.06Å; I882-V889 HydrophobicContact CG2-CB 4.21Å; I882-F900 HydrophobicContact CD1-CE1 4.04Å; I882-F900 HydrophobicContact CD1-CZ 4.45Å; I882-F900 HydrophobicContact CG2-CD1 4.31Å; I882-F900 HydrophobicContact CG2-CE1 4.04Å; I882-L929 HydrophobicContact CG1-CD1 3.71Å |
| 883 | R | 74.2 | Confident | 79.8 | Confident | 188 Ų | 188 | 71.1 Ų | 71.1 | 71% | 0.709 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.8 | -34.3 | 173.8 | -179.8 | -178.6 | -73.1 | -166 | -2.8 | 113.1 | Y879 L881 S885 | Y879-R883 WeakPolarHBondContact O-CB 3.44Å; Y879-R883 PolarHBondContact O-N 3.41Å; L881-R883 VanDerWaalsContact C-N 3.33Å; L881-R883 PolarHBondContact O-N 3.39Å; R883-S885 VanDerWaalsContact C-N 3.3Å |
| 884 | G | 71 | Confident | 80.2 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 70% | 0.701 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -77.8 | -12.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K880 L881 I882 | K880-G884 PolarHBondContact O-N 3.08Å; L881-G884 CarbonylContact O-C 3.53Å; L881-G884 WeakPolarHBondContact O-CA 3.39Å; L881-G884 PolarHBondContact O-N 3.49Å; I882-G884 VanDerWaalsContact C-N 3.29Å; I882-G884 PolarHBondContact O-N 3.24Å |
| 885 | S | 71.5 | Confident | 80.3 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | trans | -151.7 | 74.2 | -177.2 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | L881 I882 R883 E887 S888 L929 | L881-S885 PolarHBondContact O-N 3.39Å; L881-S885 PolarHBondContact O-OG 3.11Å; I882-S885 CarbonylContact O-C 3.59Å; I882-S885 PolarHBondContact O-N 3.46Å; R883-S885 VanDerWaalsContact C-N 3.3Å; S885-E887 PolarHBondContact O-N 3.44Å; S885-E887 VanDerWaalsContact O-N 3.16Å; S885-S888 WeakPolarHBondContact O-CB 3.28Å; S885-S888 PolarHBondContact O-N 3.42Å; S885-S888 PolarHBondContact O-OG 3.27Å; S885-S888 PolarHBondContact OG-OG 3.22Å; S885-L929 WeakPolarHBondContact OG-CD2 3.47Å | ||
| 886 | P | 69.8 | Low | 79.3 | Confident | 88 Ų | 88 | 67.5 Ų | 67.5 | 57% | 0.571 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -58.9 | -30.7 | -173.3 | 22.9 | -33.8 | 0 | 0 | 0 | 113.3 | S888 | P886-S888 PolarHBondContact O-N 3.07Š|
| 887 | E | 71.3 | Confident | 78.3 | Confident | 147 Ų | 147 | 69.8 Ų | 69.8 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -66.6 | -12.2 | 176.4 | -53.4 | -50.1 | 137.1 | 0 | 0 | 114.6 | S885 K926 | S885-E887 PolarHBondContact O-N 3.44Å; S885-E887 VanDerWaalsContact O-N 3.16Å; E887-K926 WeakPolarHBondContact O-CB 3.49Å |
| 888 | S | 74.4 | Confident | 78 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 6% | 0.056 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -78.8 | -37 | -176.5 | 64.2 | 0 | 0 | 0 | 0 | 113.8 | S885 P886 I925 K926 S927 L929 | S885-S888 WeakPolarHBondContact O-CB 3.28Å; S885-S888 PolarHBondContact O-N 3.42Å; S885-S888 PolarHBondContact O-OG 3.27Å; S885-S888 PolarHBondContact OG-OG 3.22Å; P886-S888 PolarHBondContact O-N 3.07Å; S888-I925 CarbonylContact O-C 3.54Å; S888-K926 PolarHBondContact O-N 2.94Å; S888-S927 PolarHBondContact O-N 3.08Å; S888-S927 VanDerWaalsContact O-N 3.14Å; S888-L929 WeakPolarHBondContact OG-CD2 3.45Å |
| 889 | V | 81.3 | Confident | 77.9 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 4% | 0.036 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 107.5 | -172.9 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | Y865 I882 V891 F923 N924 I925 L929 | Y865-V889 HydrophobicContact CE2-CG1 4.48Å; Y865-V889 HydrophobicContact CE2-CG2 4.39Å; I882-V889 HydrophobicContact CD1-CB 4.27Å; I882-V889 HydrophobicContact CD1-CG1 4.21Å; I882-V889 HydrophobicContact CD1-CG2 4.38Å; I882-V889 HydrophobicContact CG1-CB 4.1Å; I882-V889 HydrophobicContact CG1-CG2 4.06Å; I882-V889 HydrophobicContact CG2-CB 4.21Å; V889-V891 HydrophobicContact CG1-CG2 4.32Å; V889-F923 HydrophobicContact CG1-CD1 3.81Å; V889-N924 WeakPolarHBondContact CA-O 3.12Å; V889-I925 HydrophobicContact CG2-CG1 4.34Å; V889-I925 HydrophobicContact CG2-CG2 4.43Å; V889-L929 HydrophobicContact CG2-CD1 3.8Å; V889-L929 HydrophobicContact CG2-CG 4.32Å |
| 890 | E | 81.8 | Confident | 78 | Confident | 89 Ų | 89 | 72.3 Ų | 72.3 | 42% | 0.416 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 135.8 | 172.2 | 176 | 171.8 | -103 | 0 | 0 | 109.4 | N924 K926 | E890-N924 HydrophobicContact CB-CB 4.29Å; E890-N924 PolarHBondContact N-O 3.11Å; E890-N924 PolarHBondContact O-N 3.49Å; E890-N924 PolarHBondContact OE2-ND2 3.08Å; E890-K926 HydrophobicContact CB-CD 4.46Å; E890-K926 WeakPolarHBondContact OE1-CE 3.3Å; E890-K926 IonicContact OE1-NZ 3.98Å; E890-K926 PolarHBondContact OE1-NZ 3.23Å; E890-K926 WeakPolarHBondContact OE2-CE 3.47Å; E890-K926 IonicContact OE2-NZ 2.67Å; E890-K926 PolarHBondContact OE2-NZ 2.86Å |
| 891 | V | 85.3 | Confident | 78.3 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 107.1 | -179.9 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | V889 L894 F900 T922 F923 | V889-V891 HydrophobicContact CG1-CG2 4.32Å; V891-L894 HydrophobicContact CB-CD1 4.45Å; V891-L894 HydrophobicContact CG1-CD1 3.88Å; V891-L894 HydrophobicContact CG1-CG 4.18Å; V891-F900 HydrophobicContact CB-CB 4.28Å; V891-F900 HydrophobicContact CB-CD2 4.28Å; V891-F900 HydrophobicContact CB-CG 4.15Å; V891-F900 HydrophobicContact CG1-CD2 3.97Å; V891-F900 HydrophobicContact CG1-CG 4.33Å; V891-F900 HydrophobicContact CG2-CB 4.4Å; V891-F900 HydrophobicContact CG2-CD1 3.92Å; V891-F900 HydrophobicContact CG2-CD2 4.02Å; V891-F900 HydrophobicContact CG2-CE1 4.21Å; V891-F900 HydrophobicContact CG2-CE2 4.31Å; V891-F900 HydrophobicContact CG2-CG 3.82Å; V891-F900 HydrophobicContact CG2-CZ 4.41Å; V891-T922 CarbonylContact C-O 3.41Å; V891-T922 WeakPolarHBondContact CA-O 3.48Å; V891-F923 HydrophobicContact CG1-CD2 4.35Å; V891-F923 HydrophobicContact CG1-CE1 4.33Å; V891-F923 HydrophobicContact CG1-CE2 4.11Å; V891-F923 HydrophobicContact CG1-CZ 4.11Å; V891-F923 HydrophobicContact CG2-CD1 3.69Å; V891-F923 HydrophobicContact CG2-CE1 3.62Å; V891-F923 HydrophobicContact CG2-CG 4.34Å; V891-F923 HydrophobicContact CG2-CZ 4.2Å |
| 892 | G | 81.7 | Confident | 78.7 | Confident | 26 Ų | 26 | 67.3 Ų | 67.3 | 27% | 0.268 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 161.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L894 V921 T922 | G892-L894 PolarHBondContact O-N 3.17Å; G892-V921 WeakPolarHBondContact O-CA 3.47Å; G892-T922 PolarHBondContact N-O 3.31Å; G892-T922 PolarHBondContact O-N 3.45Å; G892-T922 PolarHBondContact O-OG1 3.44Å |
| 893 | G | 81.8 | Confident | 79.1 | Confident | 36 Ų | 36 | 66.9 Ų | 66.9 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 68.1 | 15.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | K920 | G893-K920 WeakPolarHBondContact CA-O 3.3Š|
| 894 | L | 86.7 | Confident | 79.6 | Confident | 31 Ų | 31 | 62 Ų | 62 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 154.2 | 161.5 | -72.3 | 169 | 0 | 0 | 0 | 110.2 | F861 V891 G892 F900 I914 V921 | F861-L894 HydrophobicContact CE1-CD2 4.03Å; F861-L894 HydrophobicContact CZ-CD2 3.85Å; V891-L894 HydrophobicContact CB-CD1 4.45Å; V891-L894 HydrophobicContact CG1-CD1 3.88Å; V891-L894 HydrophobicContact CG1-CG 4.18Å; G892-L894 PolarHBondContact O-N 3.17Å; L894-F900 HydrophobicContact CD1-CB 3.75Å; L894-F900 HydrophobicContact CD1-CD2 4.3Å; L894-I914 HydrophobicContact CD2-CG1 4.13Å; L894-I914 HydrophobicContact CD2-CG2 4.41Å; L894-V921 HydrophobicContact CD2-CG2 4.14Å |
| 895 | P | 84.6 | Confident | 80.3 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 148.2 | 173.7 | -18.6 | 30.4 | 0 | 0 | 0 | 112 | V898 K913 I914 A917 | P895-V898 HydrophobicContact CB-CB 4.4Å; P895-V898 HydrophobicContact CB-CG2 3.98Å; P895-V898 HydrophobicContact CG-CG2 4.39Å; P895-V898 WeakPolarHBondContact O-CB 3.5Å; P895-V898 PolarHBondContact O-N 3.32Å; P895-V898 VanDerWaalsContact O-N 3.08Å; P895-K913 HydrophobicContact CB-CB 4.19Å; P895-K913 HydrophobicContact CG-CB 3.78Å; P895-K913 WeakPolarHBondContact CG-O 3.48Å; P895-I914 HydrophobicContact CG-CG1 4.34Å; P895-A917 HydrophobicContact CG-CB 4.12Å |
| 896 | D | 66.7 | Low | 81 | Confident | 145 Ų | 145 | 61.8 Ų | 61.8 | 78% | 0.775 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 145.9 | 172.3 | -53.8 | -64.5 | 0 | 0 | 0 | 111 | V898 | D896-V898 PolarHBondContact O-N 2.94Š|
| 897 | D | 67.4 | Low | 81.9 | Confident | 165 Ų | 165 | 61.2 Ų | 61.2 | 88% | 0.882 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 0.7 | -170.1 | -54.9 | -41 | 0 | 0 | 0 | 117.1 | P899 | D897-P899 WeakPolarHBondContact O-CD 3.18Š|
| 898 | V | 81.8 | Confident | 82.6 | Confident | 13 Ų | 13 | 55 Ų | 55 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | trans | -104.9 | 93.1 | -177.6 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | P895 D896 Y906 C910 I914 | P895-V898 HydrophobicContact CB-CB 4.4Å; P895-V898 HydrophobicContact CB-CG2 3.98Å; P895-V898 HydrophobicContact CG-CG2 4.39Å; P895-V898 WeakPolarHBondContact O-CB 3.5Å; P895-V898 PolarHBondContact O-N 3.32Å; P895-V898 VanDerWaalsContact O-N 3.08Å; D896-V898 PolarHBondContact O-N 2.94Å; V898-Y906 HydrophobicContact CG1-CD1 4.3Å; V898-Y906 HydrophobicContact CG1-CE1 3.68Å; V898-C910 HydrophobicContact CG1-CB 4.32Å; V898-I914 HydrophobicContact CG1-CD1 3.9Å; V898-I914 HydrophobicContact CG1-CG1 4.13Å | ||
| 899 | P | 82.3 | Confident | 83.2 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | trans | -69.7 | 145 | -179.9 | 28.7 | -36.6 | 0 | 0 | 0 | 112.3 | D897 R901 Y906 | D897-P899 WeakPolarHBondContact O-CD 3.18Å; P899-R901 PolarHBondContact O-N 3.27Å; P899-Y906 WeakPolarHBondContact O-CE1 3.36Å; P899-Y906 PolarHBondContact O-OH 3.4Å | ||
| 900 | F | 87.3 | Confident | 83.5 | Confident | 49 Ų | 49 | 59 Ų | 59 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | trans | -61.9 | 116.2 | 177.3 | 179.9 | -112.1 | 0 | 0 | 0 | 112.5 | F861 V877 Y879 I882 V891 L894 F923 | F861-F900 HydrophobicContact CD2-CD2 4.48Å; F861-F900 AromaticContact CD2-CE2 3.75Å; F861-F900 HydrophobicContact CD2-CE2 3.75Å; F861-F900 AromaticContact CE2-CD2 4Å; F861-F900 HydrophobicContact CE2-CD2 4Å; F861-F900 AromaticContact CE2-CE2 3.7Å; F861-F900 HydrophobicContact CE2-CE2 3.7Å; F861-F900 HydrophobicContact CG-CE2 4.42Å; F861-F900 HydrophobicContact CZ-CD2 4.34Å; F861-F900 HydrophobicContact CZ-CE2 4.35Å; V877-F900 HydrophobicContact CG1-CZ 4.04Å; Y879-F900 HydrophobicContact CD1-CE1 4.09Å; Y879-F900 HydrophobicContact CD1-CE2 4.4Å; Y879-F900 AromaticContact CD1-CZ 3.66Å; Y879-F900 HydrophobicContact CD1-CZ 3.66Å; Y879-F900 HydrophobicContact CE1-CE1 4.42Å; Y879-F900 AromaticContact CE1-CE2 3.94Å; Y879-F900 HydrophobicContact CE1-CE2 3.94Å; Y879-F900 AromaticContact CE1-CZ 3.55Å; Y879-F900 HydrophobicContact CE1-CZ 3.55Å; I882-F900 HydrophobicContact CD1-CE1 4.04Å; I882-F900 HydrophobicContact CD1-CZ 4.45Å; I882-F900 HydrophobicContact CG2-CD1 4.31Å; I882-F900 HydrophobicContact CG2-CE1 4.04Å; V891-F900 HydrophobicContact CB-CB 4.28Å; V891-F900 HydrophobicContact CB-CD2 4.28Å; V891-F900 HydrophobicContact CB-CG 4.15Å; V891-F900 HydrophobicContact CG1-CD2 3.97Å; V891-F900 HydrophobicContact CG1-CG 4.33Å; V891-F900 HydrophobicContact CG2-CB 4.4Å; V891-F900 HydrophobicContact CG2-CD1 3.92Å; V891-F900 HydrophobicContact CG2-CD2 4.02Å; V891-F900 HydrophobicContact CG2-CE1 4.21Å; V891-F900 HydrophobicContact CG2-CE2 4.31Å; V891-F900 HydrophobicContact CG2-CG 3.82Å; V891-F900 HydrophobicContact CG2-CZ 4.41Å; L894-F900 HydrophobicContact CD1-CB 3.75Å; L894-F900 HydrophobicContact CD1-CD2 4.3Å; F900-F923 AromaticContact CE2-CE1 3.95Å; F900-F923 HydrophobicContact CE2-CE1 3.95Å; F900-F923 AromaticContact CE2-CZ 3.69Å; F900-F923 HydrophobicContact CE2-CZ 3.69Å; F900-F923 AromaticContact CZ-CE1 3.82Å; F900-F923 HydrophobicContact CZ-CE1 3.82Å; F900-F923 HydrophobicContact CZ-CZ 4.01Å | ||
| 901 | R | 83.9 | Confident | 83.9 | Confident | 125 Ų | 125 | 54.8 Ų | 54.8 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | trans | -147.4 | 173.7 | -176.4 | -63.6 | -174.6 | -178 | -137.1 | -4.5 | 110.4 | P899 T905 Y906 | P899-R901 PolarHBondContact O-N 3.27Å; R901-T905 WeakPolarHBondContact CB-OG1 3.46Å; R901-Y906 HydrophobicContact CB-CE1 4.22Å; R901-Y906 PolarHBondContact N-OH 3.48Å | ||
| 902 | N | 87.1 | Confident | 84 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | trans | -66.9 | 134.4 | 175.7 | -174.9 | -82.6 | 0 | 0 | 0 | 110.1 | Y879 N904 T905 | Y879-N902 HydrophobicContact CD1-CB 4.29Å; Y879-N902 WeakPolarHBondContact CD2-ND2 3.09Å; Y879-N902 HydrophobicContact CG-CB 4.32Å; N902-N904 PolarHBondContact O-N 2.94Å; N902-N904 WeakPolarHBondContact OD1-CB 3.45Å; N902-N904 PolarHBondContact OD1-N 3.26Å; N902-N904 VanDerWaalsContact OD1-N 3.11Å; N902-N904 PolarHBondContact OD1-ND2 2.94Å; N902-T905 HydrophobicContact CB-CG2 4.48Å; N902-T905 WeakPolarHBondContact O-CB 3.43Å; N902-T905 PolarHBondContact O-N 2.92Å; N902-T905 PolarHBondContact O-OG1 3.21Å | ||
| 903 | P | 88.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -54.1 | -28.8 | -176.8 | -31.5 | 37.4 | 0 | 0 | 0 | 115.4 | V857 K858 F861 Y879 T905 Y906 L911 | V857-P903 HydrophobicContact CB-CB 4.46Å; V857-P903 HydrophobicContact CG1-CB 4.2Å; V857-P903 HydrophobicContact CG1-CG 4.02Å; K858-P903 HydrophobicContact CB-CB 4.26Å; K858-P903 HydrophobicContact CB-CG 4.01Å; F861-P903 HydrophobicContact CD2-CG 3.99Å; F861-P903 HydrophobicContact CE2-CG 4.28Å; Y879-P903 WeakPolarHBondContact OH-CD 3.29Å; P903-T905 PolarHBondContact O-N 3.04Å; P903-T905 VanDerWaalsContact O-N 3.16Å; P903-Y906 PolarHBondContact O-N 3.4Å; P903-L911 HydrophobicContact CB-CD2 4.46Å |
| 904 | N | 85.5 | Confident | 84.7 | Confident | 85 Ų | 85 | 58 Ų | 58 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -66.9 | -12.4 | 175.1 | -64.5 | -64.2 | 0 | 0 | 0 | 114.5 | R854 N902 | R854-N904 VanDerWaalsContact CZ-O 3.24Å; R854-N904 PolarHBondContact NH1-O 3.14Å; R854-N904 PolarHBondContact NH2-O 3.08Å; N902-N904 PolarHBondContact O-N 2.94Å; N902-N904 WeakPolarHBondContact OD1-CB 3.45Å; N902-N904 PolarHBondContact OD1-N 3.26Å; N902-N904 VanDerWaalsContact OD1-N 3.11Å; N902-N904 PolarHBondContact OD1-ND2 2.94Å |
| 905 | T | 86.4 | Confident | 84.8 | Confident | 92 Ų | 92 | 58.7 Ų | 58.7 | 56% | 0.564 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -96.7 | -9.4 | 179.7 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | R901 N902 P903 | R901-T905 WeakPolarHBondContact CB-OG1 3.46Å; N902-T905 HydrophobicContact CB-CG2 4.48Å; N902-T905 WeakPolarHBondContact O-CB 3.43Å; N902-T905 PolarHBondContact O-N 2.92Å; N902-T905 PolarHBondContact O-OG1 3.21Å; P903-T905 PolarHBondContact O-N 3.04Å; P903-T905 VanDerWaalsContact O-N 3.16Å |
| 906 | Y | 85.8 | Confident | 85 | Confident | 14 Ų | 14 | 65 Ų | 65 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -80.4 | 153.5 | 173.4 | -63.3 | -54.8 | 0 | 0 | 0 | 112.2 | R854 F861 V898 P899 R901 P903 C910 L911 I914 | R854-Y906 PolarHBondContact NH2-O 3.46Å; F861-Y906 HydrophobicContact CE2-CE2 4.2Å; F861-Y906 HydrophobicContact CZ-CE2 4.47Å; V898-Y906 HydrophobicContact CG1-CD1 4.3Å; V898-Y906 HydrophobicContact CG1-CE1 3.68Å; P899-Y906 WeakPolarHBondContact O-CE1 3.36Å; P899-Y906 PolarHBondContact O-OH 3.4Å; R901-Y906 HydrophobicContact CB-CE1 4.22Å; R901-Y906 PolarHBondContact N-OH 3.48Å; P903-Y906 PolarHBondContact O-N 3.4Å; Y906-C910 HydrophobicContact CD1-CB 3.96Å; Y906-C910 HydrophobicContact CG-CB 4.17Å; Y906-L911 HydrophobicContact CD2-CD2 3.92Å; Y906-L911 HydrophobicContact CG-CD2 4.38Å; Y906-I914 HydrophobicContact CD2-CD1 3.73Å; Y906-I914 HydrophobicContact CE1-CD1 4.28Å; Y906-I914 HydrophobicContact CE2-CD1 3.46Å; Y906-I914 VanDerWaalsContact CE2-CD1 3.46Å; Y906-I914 HydrophobicContact CG-CD1 4.28Å |
| 907 | D | 87.4 | Confident | 86 | Confident | 76 Ų | 76 | 58.6 Ų | 58.6 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | trans | -79.4 | -173.7 | 164 | 75.6 | -18.9 | 0 | 0 | 0 | 110.8 | C910 L911 | D907-C910 WeakPolarHBondContact OD1-CB 3.46Å; D907-C910 PolarHBondContact OD1-N 3.37Å; D907-C910 PolarHBondContact OD1-SG 3.23Å; D907-L911 WeakPolarHBondContact O-CD1 3.43Å; D907-L911 WeakPolarHBondContact O-CG 3.24Å | ||
| 908 | I | 86.8 | Confident | 86.9 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.6 | -42.6 | -175.8 | -154.8 | 176.5 | 0 | 0 | 0 | 111.4 | E849 K850 L853 C910 L911 E912 | E849-I908 HydrophobicContact CB-CD1 4.41Å; E849-I908 HydrophobicContact CG-CD1 4.13Å; K850-I908 HydrophobicContact CB-CB 4.5Å; K850-I908 HydrophobicContact CB-CD1 4.02Å; K850-I908 HydrophobicContact CB-CG1 4.01Å; K850-I908 HydrophobicContact CD-CB 4.3Å; K850-I908 HydrophobicContact CG-CB 4.31Å; K850-I908 HydrophobicContact CG-CG1 4.27Å; L853-I908 HydrophobicContact CD1-CD1 4.17Å; L853-I908 HydrophobicContact CD1-CG1 3.51Å; I908-C910 PolarHBondContact O-N 2.97Å; I908-L911 WeakPolarHBondContact O-CB 3.47Å; I908-L911 PolarHBondContact O-N 3.16Å; I908-L911 VanDerWaalsContact O-N 3.12Å; I908-E912 WeakPolarHBondContact CG1-OE1 3.29Å; I908-E912 WeakPolarHBondContact O-CG 3.42Å; I908-E912 PolarHBondContact O-N 3.27Å |
| 909 | V | 86.7 | Confident | 87.1 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 40% | 0.4 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | -176.9 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | L911 K913 | V909-L911 VanDerWaalsContact C-N 3.33Å; V909-L911 PolarHBondContact O-N 2.94Å; V909-K913 HydrophobicContact CG1-CD 4.43Å; V909-K913 WeakPolarHBondContact O-CB 3.43Å; V909-K913 WeakPolarHBondContact O-CG 3.22Å; V909-K913 PolarHBondContact O-N 3.36Å |
| 910 | C | 87.8 | Confident | 87.2 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 22% | 0.223 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 174.1 | -67.3 | 0 | 0 | 0 | 0 | 112 | V898 Y906 D907 I908 I914 | V898-C910 HydrophobicContact CG1-CB 4.32Å; Y906-C910 HydrophobicContact CD1-CB 3.96Å; Y906-C910 HydrophobicContact CG-CB 4.17Å; D907-C910 WeakPolarHBondContact OD1-CB 3.46Å; D907-C910 PolarHBondContact OD1-N 3.37Å; D907-C910 PolarHBondContact OD1-SG 3.23Å; I908-C910 PolarHBondContact O-N 2.97Å; C910-I914 WeakPolarHBondContact O-CB 3.33Å; C910-I914 WeakPolarHBondContact O-CD1 3.21Å; C910-I914 WeakPolarHBondContact O-CG1 3.29Å; C910-I914 PolarHBondContact O-N 3.08Å |
| 911 | L | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 178.5 | -64.9 | 161.3 | 0 | 0 | 0 | 111.4 | K850 L853 R854 V857 P903 Y906 D907 I908 V909 K913 I914 L915 | K850-L911 HydrophobicContact CG-CD1 4.45Å; L853-L911 HydrophobicContact CB-CB 3.94Å; L853-L911 HydrophobicContact CB-CD1 4.08Å; R854-L911 HydrophobicContact CG-CD1 3.49Å; R854-L911 VanDerWaalsContact CG-CD1 3.49Å; R854-L911 HydrophobicContact CG-CD2 4.23Å; V857-L911 HydrophobicContact CB-CD2 3.8Å; V857-L911 HydrophobicContact CG1-CD2 4.1Å; V857-L911 HydrophobicContact CG2-CB 4.12Å; V857-L911 HydrophobicContact CG2-CD2 3.68Å; P903-L911 HydrophobicContact CB-CD2 4.46Å; Y906-L911 HydrophobicContact CD2-CD2 3.92Å; Y906-L911 HydrophobicContact CG-CD2 4.38Å; D907-L911 WeakPolarHBondContact O-CD1 3.43Å; D907-L911 WeakPolarHBondContact O-CG 3.24Å; I908-L911 WeakPolarHBondContact O-CB 3.47Å; I908-L911 PolarHBondContact O-N 3.16Å; I908-L911 VanDerWaalsContact O-N 3.12Å; V909-L911 VanDerWaalsContact C-N 3.33Å; V909-L911 PolarHBondContact O-N 2.94Å; L911-K913 PolarHBondContact O-N 3.18Å; L911-I914 PolarHBondContact O-N 3.3Å; L911-L915 WeakPolarHBondContact O-CG 3.44Å; L911-L915 PolarHBondContact O-N 2.91Å |
| 912 | E | 88.4 | Confident | 87.4 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.4 | -49.9 | 173.4 | -69 | 160.4 | -142.7 | 0 | 0 | 111.3 | L853 I908 I914 L915 Q916 | L853-E912 HydrophobicContact CD1-CG 3.91Å; L853-E912 HydrophobicContact CD2-CG 4.33Å; I908-E912 WeakPolarHBondContact CG1-OE1 3.29Å; I908-E912 WeakPolarHBondContact O-CG 3.42Å; I908-E912 PolarHBondContact O-N 3.27Å; E912-I914 VanDerWaalsContact C-N 3.34Å; E912-I914 PolarHBondContact O-N 3.33Å; E912-L915 PolarHBondContact O-N 2.9Å; E912-Q916 VanDerWaalsContact O-CG 3.32Å; E912-Q916 WeakPolarHBondContact O-CG 3.4Å; E912-Q916 PolarHBondContact O-N 2.64Å |
| 913 | K | 88.8 | Confident | 87.6 | Confident | 100 Ų | 100 | 56 Ų | 56 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 177.1 | -74.2 | 179.1 | 173.1 | -171.4 | 0 | 112.7 | P895 V909 L911 Q916 A917 | P895-K913 HydrophobicContact CB-CB 4.19Å; P895-K913 HydrophobicContact CG-CB 3.78Å; P895-K913 WeakPolarHBondContact CG-O 3.48Å; V909-K913 HydrophobicContact CG1-CD 4.43Å; V909-K913 WeakPolarHBondContact O-CB 3.43Å; V909-K913 WeakPolarHBondContact O-CG 3.22Å; V909-K913 PolarHBondContact O-N 3.36Å; L911-K913 PolarHBondContact O-N 3.18Å; K913-Q916 PolarHBondContact O-N 3.38Å; K913-A917 WeakPolarHBondContact O-CB 3.48Å; K913-A917 PolarHBondContact O-N 2.84Å; K913-A917 VanDerWaalsContact O-N 3.08Å |
| 914 | I | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 176.9 | -69.4 | 160.8 | 0 | 0 | 0 | 111 | V857 L860 F861 L894 P895 V898 Y906 C910 L911 E912 A917 A918 | V857-I914 HydrophobicContact CG1-CB 4.46Å; V857-I914 HydrophobicContact CG1-CD1 4.31Å; V857-I914 HydrophobicContact CG1-CG2 3.77Å; V857-I914 HydrophobicContact CG2-CB 4.2Å; V857-I914 HydrophobicContact CG2-CG2 4.03Å; L860-I914 HydrophobicContact CD2-CG2 4.16Å; F861-I914 HydrophobicContact CE1-CG2 3.61Å; F861-I914 HydrophobicContact CZ-CD1 4.24Å; F861-I914 HydrophobicContact CZ-CG2 3.87Å; L894-I914 HydrophobicContact CD2-CG1 4.13Å; L894-I914 HydrophobicContact CD2-CG2 4.41Å; P895-I914 HydrophobicContact CG-CG1 4.34Å; V898-I914 HydrophobicContact CG1-CD1 3.9Å; V898-I914 HydrophobicContact CG1-CG1 4.13Å; Y906-I914 HydrophobicContact CD2-CD1 3.73Å; Y906-I914 HydrophobicContact CE1-CD1 4.28Å; Y906-I914 HydrophobicContact CE2-CD1 3.46Å; Y906-I914 VanDerWaalsContact CE2-CD1 3.46Å; Y906-I914 HydrophobicContact CG-CD1 4.28Å; C910-I914 WeakPolarHBondContact O-CB 3.33Å; C910-I914 WeakPolarHBondContact O-CD1 3.21Å; C910-I914 WeakPolarHBondContact O-CG1 3.29Å; C910-I914 PolarHBondContact O-N 3.08Å; L911-I914 PolarHBondContact O-N 3.3Å; E912-I914 VanDerWaalsContact C-N 3.34Å; E912-I914 PolarHBondContact O-N 3.33Å; I914-A917 CarbonylContact O-C 3.58Å; I914-A917 PolarHBondContact O-N 2.97Å; I914-A918 PolarHBondContact O-N 3.15Å; I914-A918 VanDerWaalsContact O-N 3.16Å |
| 915 | L | 88.1 | Confident | 87.3 | Confident | 46 Ų | 46 | 58 Ų | 58 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70 | -37.1 | 176.7 | -66 | 176.4 | 0 | 0 | 0 | 112.4 | L853 Q856 V857 L860 L911 E912 A917 A918 | L853-L915 HydrophobicContact CD2-CD1 3.56Å; Q856-L915 HydrophobicContact CB-CD1 3.87Å; Q856-L915 HydrophobicContact CB-CD2 4.01Å; V857-L915 HydrophobicContact CG2-CD1 4.17Å; V857-L915 HydrophobicContact CG2-CD2 3.64Å; V857-L915 HydrophobicContact CG2-CG 3.58Å; L860-L915 HydrophobicContact CD2-CD2 4.12Å; L911-L915 WeakPolarHBondContact O-CG 3.44Å; L911-L915 PolarHBondContact O-N 2.91Å; E912-L915 PolarHBondContact O-N 2.9Å; L915-A917 PolarHBondContact O-N 2.68Å; L915-A918 WeakPolarHBondContact O-CB 3.5Å; L915-A918 PolarHBondContact O-N 2.89Å; L915-A918 VanDerWaalsContact O-N 3.1Å |
| 916 | Q | 88.6 | Confident | 86.7 | Confident | 158 Ų | 158 | 58.9 Ų | 58.9 | 74% | 0.738 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.6 | -21.6 | 171.3 | -69.2 | 169.5 | 17.7 | 0 | 0 | 112.7 | E912 K913 | E912-Q916 VanDerWaalsContact O-CG 3.32Å; E912-Q916 WeakPolarHBondContact O-CG 3.4Å; E912-Q916 PolarHBondContact O-N 2.64Å; K913-Q916 PolarHBondContact O-N 3.38Å |
| 917 | A | 87.7 | Confident | 85.9 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P895 K913 I914 L915 D919 K920 V921 | P895-A917 HydrophobicContact CG-CB 4.12Å; K913-A917 WeakPolarHBondContact O-CB 3.48Å; K913-A917 PolarHBondContact O-N 2.84Å; K913-A917 VanDerWaalsContact O-N 3.08Å; I914-A917 CarbonylContact O-C 3.58Å; I914-A917 PolarHBondContact O-N 2.97Å; L915-A917 PolarHBondContact O-N 2.68Å; A917-D919 VanDerWaalsContact C-N 3.29Å; A917-D919 PolarHBondContact O-N 3.34Å; A917-D919 VanDerWaalsContact O-N 3.1Å; A917-K920 WeakPolarHBondContact O-CA 3.36Å; A917-K920 WeakPolarHBondContact O-CB 3.34Å; A917-K920 PolarHBondContact O-N 2.95Å; A917-V921 PolarHBondContact O-N 3.31Å; A917-V921 VanDerWaalsContact O-N 3.08Å |
| 918 | A | 86.8 | Confident | 84.7 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -38.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L860 I914 L915 K920 V921 | L860-A918 HydrophobicContact CD1-CB 3.82Å; L860-A918 HydrophobicContact CD2-CB 3.68Å; L860-A918 HydrophobicContact CG-CB 4.41Å; I914-A918 PolarHBondContact O-N 3.15Å; I914-A918 VanDerWaalsContact O-N 3.16Å; L915-A918 WeakPolarHBondContact O-CB 3.5Å; L915-A918 PolarHBondContact O-N 2.89Å; L915-A918 VanDerWaalsContact O-N 3.1Å; A918-K920 VanDerWaalsContact C-N 3.28Å; A918-K920 PolarHBondContact O-N 3.41Å; A918-V921 PolarHBondContact O-N 3.3Å |
| 919 | D | 85.4 | Confident | 83.3 | Confident | 154 Ų | 154 | 65.5 Ų | 65.5 | 82% | 0.824 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -18.2 | 179 | -58.4 | -48.2 | 0 | 0 | 0 | 113.4 | A917 | A917-D919 VanDerWaalsContact C-N 3.29Å; A917-D919 PolarHBondContact O-N 3.34Å; A917-D919 VanDerWaalsContact O-N 3.1Å |
| 920 | K | 85.6 | Confident | 81.1 | Confident | 153 Ų | 153 | 67.9 Ų | 67.9 | 67% | 0.665 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -29.6 | 176.1 | -56.1 | 177.4 | -176.9 | 175.5 | 0 | 111.8 | G893 A917 A918 T922 | G893-K920 WeakPolarHBondContact CA-O 3.3Å; A917-K920 WeakPolarHBondContact O-CA 3.36Å; A917-K920 WeakPolarHBondContact O-CB 3.34Å; A917-K920 PolarHBondContact O-N 2.95Å; A918-K920 VanDerWaalsContact C-N 3.28Å; A918-K920 PolarHBondContact O-N 3.41Å; K920-T922 PolarHBondContact O-N 2.95Å; K920-T922 VanDerWaalsContact O-N 3.16Å; K920-T922 PolarHBondContact O-OG1 3.44Å |
| 921 | V | 89.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -60 | 117.3 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 110 | F861 K864 G892 L894 A917 A918 F923 | F861-V921 HydrophobicContact CD1-CG1 4.14Å; F861-V921 HydrophobicContact CE1-CG1 3.99Å; K864-V921 WeakPolarHBondContact CD-O 3.17Å; K864-V921 HydrophobicContact CG-CG1 4.46Å; K864-V921 WeakPolarHBondContact CG-O 3.4Å; G892-V921 WeakPolarHBondContact O-CA 3.47Å; L894-V921 HydrophobicContact CD2-CG2 4.14Å; A917-V921 PolarHBondContact O-N 3.31Å; A917-V921 VanDerWaalsContact O-N 3.08Å; A918-V921 PolarHBondContact O-N 3.3Å; V921-F923 HydrophobicContact CG1-CE2 4.17Å | ||
| 922 | T | 86 | Confident | 76.1 | Confident | 75 Ų | 75 | 81.4 Ų | 81.4 | 46% | 0.46 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 143.1 | -175.4 | 39 | 0 | 0 | 0 | 0 | 110 | V891 G892 K920 | V891-T922 CarbonylContact C-O 3.41Å; V891-T922 WeakPolarHBondContact CA-O 3.48Å; G892-T922 PolarHBondContact N-O 3.31Å; G892-T922 PolarHBondContact O-N 3.45Å; G892-T922 PolarHBondContact O-OG1 3.44Å; K920-T922 PolarHBondContact O-N 2.95Å; K920-T922 VanDerWaalsContact O-N 3.16Å; K920-T922 PolarHBondContact O-OG1 3.44Å |
| 923 | F | 89.7 | Confident | 73.5 | Confident | 17 Ų | 17 | 81.8 Ų | 81.8 | 8% | 0.075 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.2 | 173.1 | -76.6 | -109.8 | 0 | 0 | 0 | 108.1 | F861 K864 Y865 A868 V877 V889 V891 F900 V921 | F861-F923 HydrophobicContact CB-CE2 4.42Å; F861-F923 HydrophobicContact CB-CZ 4.14Å; F861-F923 HydrophobicContact CD1-CE2 4.29Å; F861-F923 HydrophobicContact CD1-CZ 4.42Å; F861-F923 HydrophobicContact CG-CE2 4.47Å; F861-F923 HydrophobicContact CG-CZ 4.22Å; K864-F923 HydrophobicContact CB-CD2 3.64Å; K864-F923 HydrophobicContact CB-CE2 3.93Å; Y865-F923 AromaticContact CD2-CD1 3.75Å; Y865-F923 HydrophobicContact CD2-CD1 3.75Å; Y865-F923 HydrophobicContact CD2-CE1 4.22Å; Y865-F923 HydrophobicContact CD2-CG 4.4Å; Y865-F923 HydrophobicContact CG-CD1 4.47Å; A868-F923 HydrophobicContact CB-CB 3.62Å; A868-F923 WeakPolarHBondContact CB-O 3.12Å; V877-F923 HydrophobicContact CG1-CE1 4.01Å; V889-F923 HydrophobicContact CG1-CD1 3.81Å; V891-F923 HydrophobicContact CG1-CD2 4.35Å; V891-F923 HydrophobicContact CG1-CE1 4.33Å; V891-F923 HydrophobicContact CG1-CE2 4.11Å; V891-F923 HydrophobicContact CG1-CZ 4.11Å; V891-F923 HydrophobicContact CG2-CD1 3.69Å; V891-F923 HydrophobicContact CG2-CE1 3.62Å; V891-F923 HydrophobicContact CG2-CG 4.34Å; V891-F923 HydrophobicContact CG2-CZ 4.2Å; F900-F923 AromaticContact CE2-CE1 3.95Å; F900-F923 HydrophobicContact CE2-CE1 3.95Å; F900-F923 AromaticContact CE2-CZ 3.69Å; F900-F923 HydrophobicContact CE2-CZ 3.69Å; F900-F923 AromaticContact CZ-CE1 3.82Å; F900-F923 HydrophobicContact CZ-CE1 3.82Å; F900-F923 HydrophobicContact CZ-CZ 4.01Å; V921-F923 HydrophobicContact CG1-CE2 4.17Å |
| 924 | N | 83 | Confident | 70.8 | Confident | 85 Ų | 85 | 85.5 Ų | 85.5 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112 | 179.5 | -176.4 | 10.2 | 0 | 0 | 0 | 108.9 | V889 E890 K926 | V889-N924 WeakPolarHBondContact CA-O 3.12Å; E890-N924 HydrophobicContact CB-CB 4.29Å; E890-N924 PolarHBondContact N-O 3.11Å; E890-N924 PolarHBondContact O-N 3.49Å; E890-N924 PolarHBondContact OE2-ND2 3.08Å; N924-K926 PolarHBondContact O-N 2.88Å |
| 925 | I | 84.8 | Confident | 68 | Low | 42 Ų | 42 | 93.6 Ų | 93.6 | 22% | 0.215 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 92 | -170.4 | -56.4 | -179.8 | 0 | 0 | 0 | 108.6 | Y865 A868 L869 S888 V889 | Y865-I925 HydrophobicContact CD2-CD1 4.32Å; Y865-I925 HydrophobicContact CE2-CD1 3.92Å; A868-I925 HydrophobicContact CB-CD1 4.08Å; A868-I925 HydrophobicContact CB-CG1 4.24Å; L869-I925 HydrophobicContact CD2-CD1 3.5Å; L869-I925 VanDerWaalsContact CD2-CD1 3.5Å; L869-I925 HydrophobicContact CG-CD1 3.63Å; S888-I925 CarbonylContact O-C 3.54Å; V889-I925 HydrophobicContact CG2-CG1 4.34Å; V889-I925 HydrophobicContact CG2-CG2 4.43Å |
| 926 | K | 75.7 | Confident | 65 | Low | 112 Ų | 112 | 96.6 Ų | 96.6 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -73.8 | -26 | -178.2 | -65.6 | 179.2 | -178.8 | 174 | 0 | 113 | E887 S888 E890 N924 | E887-K926 WeakPolarHBondContact O-CB 3.49Å; S888-K926 PolarHBondContact O-N 2.94Å; E890-K926 HydrophobicContact CB-CD 4.46Å; E890-K926 WeakPolarHBondContact OE1-CE 3.3Å; E890-K926 IonicContact OE1-NZ 3.98Å; E890-K926 PolarHBondContact OE1-NZ 3.23Å; E890-K926 WeakPolarHBondContact OE2-CE 3.47Å; E890-K926 IonicContact OE2-NZ 2.67Å; E890-K926 PolarHBondContact OE2-NZ 2.86Å; N924-K926 PolarHBondContact O-N 2.88Å |
| 927 | S | 68.9 | Low | 62.1 | Low | 73 Ų | 73 | 95.2 Ų | 95.2 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -145.4 | 135.4 | 173.8 | -171.3 | 0 | 0 | 0 | 0 | 110.5 | S888 L929 | S888-S927 PolarHBondContact O-N 3.08Å; S888-S927 VanDerWaalsContact O-N 3.14Å; S927-L929 PolarHBondContact O-N 2.88Å; S927-L929 VanDerWaalsContact O-N 3.13Å |
| 928 | Q | 60.8 | Low | 59.4 | Low | 140 Ų | 140 | 103.9 Ų | 103.9 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | trans | -67.6 | 113.8 | -179.4 | -168.9 | 179.9 | 36.4 | 0 | 0 | 109.7 | Q930 | Q928-Q930 VanDerWaalsContact C-N 3.29Å; Q928-Q930 PolarHBondContact O-N 3.04Å | ||
| 929 | L | 57.8 | Low | 56.5 | Low | 31 Ų | 31 | 107.3 Ų | 107.3 | 16% | 0.162 | 58% | 0.581 | C | S | . | * | trans | -63 | 85.2 | 175.5 | -80.2 | 175 | 0 | 0 | 0 | 111.3 | P878 L881 I882 S885 S888 V889 S927 P931 | P878-L929 HydrophobicContact CG-CD1 3.95Å; L881-L929 HydrophobicContact CB-CD1 4.16Å; L881-L929 HydrophobicContact CB-CD2 4.09Å; I882-L929 HydrophobicContact CG1-CD1 3.71Å; S885-L929 WeakPolarHBondContact OG-CD2 3.47Å; S888-L929 WeakPolarHBondContact OG-CD2 3.45Å; V889-L929 HydrophobicContact CG2-CD1 3.8Å; V889-L929 HydrophobicContact CG2-CG 4.32Å; S927-L929 PolarHBondContact O-N 2.88Å; S927-L929 VanDerWaalsContact O-N 3.13Å; L929-P931 WeakPolarHBondContact O-CD 3.37Å | ||
| 930 | Q | 41.5 | Very low | 53.7 | Low | 116 Ų | 116 | 105.5 Ų | 105.5 | 54% | 0.542 | 58% | 0.578 | S | S | . | * | trans | -57.1 | 114.8 | 179.2 | -74.4 | -69.7 | -40.8 | 0 | 0 | 111 | Q928 | Q928-Q930 VanDerWaalsContact C-N 3.29Å; Q928-Q930 PolarHBondContact O-N 3.04Å | ||
| 931 | P | 41.1 | Very low | 51 | Low | 90 Ų | 90 | 105.9 Ų | 105.9 | 58% | 0.584 | 59% | 0.588 | S | S | * | * | trans | -65.4 | 159.1 | 161.5 | -11.6 | 29.4 | 0 | 0 | 0 | 109 | L929 A933 | L929-P931 WeakPolarHBondContact O-CD 3.37Å; P931-A933 PolarHBondContact O-N 3.08Å | ||
| 932 | F | 31.5 | Very low | 48.1 | Very low | 227 Ų | 227 | 112 Ų | 112 | 100% | 0.996 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -81.1 | 49.8 | 178 | -133.8 | -84.5 | 0 | 0 | 0 | 112.4 | ||
| 933 | A | 34.3 | Very low | 45.2 | Very low | 67 Ų | 67 | 113.7 Ų | 113.7 | 55% | 0.554 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -161.2 | 153.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P931 | P931-A933 PolarHBondContact O-N 3.08Š|
| 934 | E | 30.6 | Very low | 42.3 | Very low | 179 Ų | 179 | 116.1 Ų | 116.1 | 84% | 0.836 | 68% | 0.676 | S | S | * | * | trans | 67 | 81.6 | 170.1 | -57 | -172.1 | 130.8 | 0 | 0 | 117.5 | ||||
| 935 | I | 30.4 | Very low | 39.6 | Very low | 170 Ų | 170 | 118.1 Ų | 118.1 | 87% | 0.872 | 69% | 0.692 | S | S | * | * | trans | -68.4 | 128.9 | 150.9 | -64.8 | 174.1 | 0 | 0 | 0 | 108.1 | ||||
| 936 | C | 26.1 | Very low | 36.8 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | trans | -27.3 | 145 | -169.7 | -61.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 937 | S | 26.7 | Very low | 34.4 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | trans | -140.7 | 87.1 | 148.8 | -76 | 0 | 0 | 0 | 0 | 111 | ||||
| 938 | Q | 30.6 | Very low | 32.4 | Very low | 193 Ų | 193 | 123.9 Ų | 123.9 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | trans | -140 | 150.9 | 168.1 | -89.1 | -170.7 | -6.3 | 0 | 0 | 107 | ||||
| 939 | A | 26 | Very low | 30.9 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | cis | -142.3 | 174.8 | 3.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 940 | C | 27.1 | Very low | 29.5 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -72.7 | 147.1 | 167.4 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 941 | N | 28.5 | Very low | 28.8 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -170.3 | 177.3 | 130.4 | -94.6 | -25.3 | 0 | 0 | 0 | 111.6 | ||||
| 942 | T | 28.7 | Very low | 28.2 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -104.5 | 159 | -149.7 | 44.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 943 | A | 26.6 | Very low | 28 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | 77.1 | 137.9 | 153 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 944 | G | 26.9 | Very low | 27.8 | Very low | 68 Ų | 68 | 147.1 Ų | 147.1 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | 127.7 | 77.5 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 945 | T | 26.5 | Very low | 27.6 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | 66.1 | 106.9 | 131.2 | -44.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 946 | D | 26.4 | Very low | 27.4 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | 70.7 | 132.9 | 137 | -60.2 | -15.4 | 0 | 0 | 0 | 127 | ||||
| 947 | A | 26.4 | Very low | 27.4 | Very low | 90 Ų | 90 | 150 Ų | 150 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | 77.2 | 95.5 | 134.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 948 | S | 25.3 | Very low | 27.4 | Very low | 104 Ų | 104 | 153 Ų | 153 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | 46.5 | 125.4 | 112.1 | -167.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 949 | T | 30.8 | Very low | 27.2 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | -178.3 | 164.7 | 109.7 | 28.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 950 | N | 26.9 | Very low | 27.3 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -87.3 | 150.9 | 177.7 | -87.4 | -96.2 | 0 | 0 | 0 | 113.7 | ||||
| 951 | R | 28.5 | Very low | 27.3 | Very low | 234 Ų | 234 | 151.9 Ų | 151.9 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | -178.4 | 117.6 | 128.2 | -103.3 | 163.6 | 179.2 | -161.9 | 0.2 | 119.3 | |||||
| 952 | R | 28.5 | Very low | 27.2 | Very low | 225 Ų | 225 | 155.2 Ų | 155.2 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | 31.7 | 114.5 | 126.4 | -63.4 | -179.7 | 177.6 | 178.6 | -0 | 123 | |||||
| 953 | K | 26 | Very low | 27 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | 72.4 | 123.5 | 108 | -143.8 | -175.9 | -170.2 | 170.5 | 0 | 122.2 | |||||
| 954 | R | 30.5 | Very low | 27.8 | Very low | 223 Ų | 223 | 157.7 Ų | 157.7 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | 120.9 | 107.6 | 142.5 | -71.4 | -170.7 | 161.9 | 161.2 | -5.9 | 121.1 | ||||
| 955 | K | 26.3 | Very low | 27.8 | Very low | 181 Ų | 181 | 159 Ų | 159 | 79% | 0.787 | 80% | 0.803 | S | S | * | * | 57.9 | 114 | 117.3 | -168.9 | -175.9 | 177.7 | 179.2 | 0 | 123.3 | V957 | K955-V957 HydrophobicContact CD-CG2 4.38Å; K955-V957 HydrophobicContact CG-CG2 3.87Å | |||
| 956 | R | 27.1 | Very low | 27.7 | Very low | 246 Ų | 246 | 158.8 Ų | 158.8 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -162.2 | 135.5 | 133.4 | -113.3 | 175.1 | 176 | 154.5 | -1.1 | 107 | ||||
| 957 | V | 25.6 | Very low | 27.9 | Very low | 92 Ų | 92 | 156.1 Ų | 156.1 | 56% | 0.558 | 80% | 0.8 | S | S | * | * | cis | 97.3 | 95.3 | 19.6 | -177.7 | 0 | 0 | 0 | 0 | 115.6 | K955 | K955-V957 HydrophobicContact CD-CG2 4.38Å; K955-V957 HydrophobicContact CG-CG2 3.87Å | ||
| 958 | Q | 27.1 | Very low | 27.9 | Very low | 190 Ų | 190 | 158.2 Ų | 158.2 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | 179.5 | 125.5 | 145.6 | -101.1 | 174.3 | -14.3 | 0 | 0 | 105.8 | ||||
| 959 | E | 25.4 | Very low | 28.2 | Very low | 170 Ų | 170 | 161.1 Ų | 161.1 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | cis | 95.3 | 140.4 | 10.3 | -162 | 164.3 | -147.4 | 0 | 0 | 117.5 | ||||
| 960 | S | 27.4 | Very low | 27.9 | Very low | 113 Ų | 113 | 158 Ų | 158 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | 75 | 139.1 | -175.6 | -71.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 961 | S | 26.8 | Very low | 28 | Very low | 94 Ų | 94 | 158.9 Ų | 158.9 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | cis | -162.7 | 170.4 | -9.4 | 56.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 962 | R | 27.4 | Very low | 27.8 | Very low | 232 Ų | 232 | 153.5 Ų | 153.5 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | cis | -149.8 | 169.5 | 29.3 | -63 | 177.6 | 176.3 | 173.7 | -2.1 | 112.8 | ||||
| 963 | I | 24.8 | Very low | 28 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -144.6 | 154.2 | 173.5 | 33.8 | 166.7 | 0 | 0 | 0 | 107.5 | ||||
| 964 | P | 42.8 | Very low | 28.1 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | -144.1 | -152 | 57.9 | 40.7 | -19.4 | 0 | 0 | 0 | 113.6 | |||||
| 965 | A | 26.8 | Very low | 28 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | -173.1 | 161.3 | -67.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 966 | S | 24.9 | Very low | 28.2 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | 178.4 | 151.4 | 142 | -170.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 967 | S | 29.8 | Very low | 28.6 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -91.6 | -177.3 | 174 | -31.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 968 | D | 27.4 | Very low | 28.7 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | cis | -159.4 | 166.3 | 9.7 | -134.7 | -38.5 | 0 | 0 | 0 | 114.3 | ||||
| 969 | L | 30.7 | Very low | 28.7 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | 54.4 | 135.3 | 160.5 | -60.2 | 172.3 | 0 | 0 | 0 | 121.1 | ||||
| 970 | G | 25.1 | Very low | 28.8 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -178.6 | -14.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 971 | I | 28 | Very low | 28.7 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | 50.2 | 108 | 172.1 | -44.3 | 175.6 | 0 | 0 | 0 | 118 | ||||
| 972 | S | 25.7 | Very low | 28.9 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -155.6 | 135.4 | 138.3 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 973 | A | 31.7 | Very low | 28.7 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -123.6 | 130.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 974 | N | 28.3 | Very low | 28.9 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -162 | 95.4 | 159.1 | -101.2 | -40.1 | 0 | 0 | 0 | 110.8 | ||||
| 975 | Q | 29.3 | Very low | 28.2 | Very low | 193 Ų | 193 | 141.4 Ų | 141.4 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -103.6 | 131.4 | 148.4 | -67.9 | -177 | 9 | 0 | 0 | 106.7 | ||||
| 976 | I | 30.6 | Very low | 28.2 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | -131 | 139.3 | 169.8 | -72.4 | -175 | 0 | 0 | 0 | 108 | ||||
| 977 | P | 34.9 | Very low | 28.4 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -128 | -169.9 | -137.4 | 41.9 | -26.4 | 0 | 0 | 0 | 114.8 | M979 | P977-M979 PolarHBondContact O-N 2.58Š| ||
| 978 | V | 27.6 | Very low | 28.5 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 130.3 | 166.9 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 979 | M | 27.4 | Very low | 28.5 | Very low | 178 Ų | 178 | 148.9 Ų | 148.9 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 116.5 | 165 | -80.1 | -162.1 | 73.1 | 0 | 0 | 111.2 | P977 | P977-M979 PolarHBondContact O-N 2.58Š|
| 980 | Q | 27.6 | Very low | 28.4 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 140.4 | 171 | 179.6 | 177.8 | -5.9 | 0 | 0 | 109.5 | ||
| 981 | W | 25.7 | Very low | 28.7 | Very low | 235 Ų | 235 | 147.9 Ų | 147.9 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 144.7 | 175.2 | -76.4 | 93.4 | 0 | 0 | 0 | 111.6 | M983 | W981-M983 PolarHBondContact O-N 2.76Š|
| 982 | P | 30.7 | Very low | 28.7 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 123.9 | -172.2 | -19.1 | 33.4 | 0 | 0 | 0 | 113.7 | Y984 | P982-Y984 HydrophobicContact CB-CD2 4.27Å; P982-Y984 HydrophobicContact CB-CE2 4.22Å |
| 983 | M | 23.8 | Very low | 28.8 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 136 | 152 | -106.6 | -74.9 | -72.8 | 0 | 0 | 108.4 | W981 M985 | W981-M983 PolarHBondContact O-N 2.76Å; M983-M985 HydrophobicContact CE-CG 3.92Å |
| 984 | Y | 28.6 | Very low | 28.6 | Very low | 208 Ų | 208 | 150.3 Ų | 150.3 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -118.9 | 99.9 | 165.1 | -94.2 | -78.3 | 0 | 0 | 0 | 109.9 | P982 | P982-Y984 HydrophobicContact CB-CD2 4.27Å; P982-Y984 HydrophobicContact CB-CE2 4.22Å | ||
| 985 | M | 27 | Very low | 28.6 | Very low | 123 Ų | 123 | 149.3 Ų | 149.3 | 61% | 0.606 | 79% | 0.785 | S | S | * | * | trans | -71.5 | 150.9 | 152.5 | -75.6 | 161.9 | 50.7 | 0 | 0 | 109 | M983 D987 | M983-M985 HydrophobicContact CE-CG 3.92Å; M985-D987 WeakPolarHBondContact CE-OD2 3.38Å | ||
| 986 | V | 27.4 | Very low | 28.8 | Very low | 142 Ų | 142 | 146 Ų | 146 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -124.5 | 120.1 | 158.6 | 177.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 987 | D | 29.7 | Very low | 28.7 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | -89.8 | 168.8 | -165.3 | -97.7 | -52.6 | 0 | 0 | 0 | 115 | M985 | M985-D987 WeakPolarHBondContact CE-OD2 3.38Š| ||
| 988 | Y | 30.4 | Very low | 28.7 | Very low | 218 Ų | 218 | 146.6 Ų | 146.6 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -71.8 | 150.6 | -169.8 | -82.4 | -103.1 | 0 | 0 | 0 | 116.1 | ||||
| 989 | S | 29.2 | Very low | 28.8 | Very low | 122 Ų | 122 | 147 Ų | 147 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -150.1 | 141.7 | 131.7 | 66.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 990 | G | 28.6 | Very low | 29.5 | Very low | 68 Ų | 68 | 144.9 Ų | 144.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | 151.1 | 101.4 | -10.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 991 | V | 30.5 | Very low | 30.1 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | trans | -139.8 | 126.5 | 171 | -172.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 992 | N | 28.1 | Very low | 30.3 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -88.8 | 138 | -177.7 | -86.1 | -39 | 0 | 0 | 0 | 113.3 | ||||
| 993 | V | 28.1 | Very low | 30.3 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -145.1 | 156.9 | 142.1 | -170.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 994 | Q | 26.7 | Very low | 30.7 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 70% | 0.696 | 81% | 0.81 | S | S | * | * | trans | -137.9 | 169.7 | -166.7 | -65.6 | -169 | -5.7 | 0 | 0 | 111.5 | ||||
| 995 | V | 28.7 | Very low | 30.8 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | cis | -135.6 | -68.4 | 18.5 | -150.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 996 | P | 33.1 | Very low | 31 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | trans | -126 | 137.6 | -132.7 | 37.4 | -23.2 | 0 | 0 | 0 | 117.8 | ||||
| 997 | G | 29.7 | Very low | 31.3 | Very low | 78 Ų | 78 | 148.1 Ų | 148.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -165.8 | 119.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 998 | K | 33.2 | Very low | 31.4 | Very low | 195 Ų | 195 | 149.9 Ų | 149.9 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | trans | -87.4 | 131.6 | 177 | -78.4 | -172.2 | 177 | -176.4 | 0 | 110.8 | ||||
| 999 | V | 31.4 | Very low | 31.5 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -119.3 | 127.3 | 151.5 | -176.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1000 | N | 41 | Very low | 31.7 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 72% | 0.717 | 83% | 0.827 | S | S | * | * | trans | -86.3 | 152.8 | 170.1 | -61.9 | -45 | 0 | 0 | 0 | 108.6 | ||||
| 1001 | Y | 40.8 | Very low | 31.9 | Very low | 313 Ų | 313 | 153.6 Ų | 153.6 | 100% | 1.227 | 84% | 0.838 | S | S | * | * | trans | -58.6 | 0 | 172.6 | -65.9 | -88.2 | 0 | 0 | 0 | 112.5 |
Retrieved 1,001 of 1,001 residues in 1215.1 ms
(Link to these results)