| 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 | 38.2 | Very low | 36.1 | Very low | 249 Ų | 249 | 159.9 Ų | 159.9 | 100% | 1.227 | 80% | 0.804 | S | S | * | * | 0 | 118 | 0 | -72.7 | 170.7 | 170.6 | 0 | 0 | 105.7 | |||||
| 2 | G | 41.3 | Very low | 36 | Very low | 55 Ų | 55 | 153.6 Ų | 153.6 | 57% | 0.567 | 79% | 0.786 | S | S | * | * | trans | 143.1 | -97.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F4 | G2-F4 PolarHBondContact O-N 2.92Š| ||
| 3 | D | 41.1 | Very low | 35.5 | Very low | 156 Ų | 156 | 149.8 Ų | 149.8 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -91.3 | 34.9 | -142.6 | -38.2 | -66.8 | 0 | 0 | 0 | 116.6 | ||
| 4 | F | 36.2 | Very low | 35.7 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 79% | 0.789 | 75% | 0.75 | S | S | * | * | trans | -104.5 | 2.4 | -177 | -103.6 | -78.9 | 0 | 0 | 0 | 115.6 | G2 S6 | G2-F4 PolarHBondContact O-N 2.92Å; F4-S6 PolarHBondContact O-N 3.4Å | ||
| 5 | Q | 42.6 | Very low | 36.3 | Very low | 195 Ų | 195 | 144 Ų | 144 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 2.2 | -175.9 | -72.9 | -174.6 | -48 | 0 | 0 | 115.5 | ||
| 6 | S | 38.9 | Very low | 37.1 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -15.6 | -177.7 | 50.4 | 0 | 0 | 0 | 0 | 115.1 | F4 K8 | F4-S6 PolarHBondContact O-N 3.4Å; S6-K8 PolarHBondContact O-N 2.95Å; S6-K8 VanDerWaalsContact O-N 3.12Å |
| 7 | F | 32.3 | Very low | 38.2 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 70% | 0.702 | 70% | 0.701 | S | S | * | * | trans | -81.9 | 87.8 | 177.3 | -87.5 | -87.8 | 0 | 0 | 0 | 111.6 | F9 | F7-F9 PolarHBondContact O-N 2.76Š| ||
| 8 | K | 31.2 | Very low | 39.6 | Very low | 179 Ų | 179 | 133 Ų | 133 | 78% | 0.778 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 124 | 153.4 | -75.9 | -173.7 | 173.8 | -174.6 | 0 | 108.4 | S6 | S6-K8 PolarHBondContact O-N 2.95Å; S6-K8 VanDerWaalsContact O-N 3.12Å |
| 9 | F | 32.2 | Very low | 41.1 | Very low | 166 Ų | 166 | 132 Ų | 132 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 124.4 | 154.1 | -88.6 | -99.8 | 0 | 0 | 0 | 107.1 | F7 | F7-F9 PolarHBondContact O-N 2.76Š|
| 10 | E | 30.1 | Very low | 42.1 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 133.7 | 170.6 | -67 | 178.4 | 153.1 | 0 | 0 | 108.1 | S12 | E10-S12 PolarHBondContact O-N 3.08Š|
| 11 | N | 33.1 | Very low | 43.2 | Very low | 168 Ų | 168 | 124.7 Ų | 124.7 | 90% | 0.898 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -81 | 31.1 | -159 | -69.1 | -23.1 | 0 | 0 | 0 | 114.4 | ||
| 12 | S | 34.6 | Very low | 44.9 | Very low | 84 Ų | 84 | 117 Ų | 117 | 59% | 0.587 | 62% | 0.618 | S | S | * | * | trans | -140.4 | 63.3 | -162.4 | 44.8 | 0 | 0 | 0 | 0 | 113.2 | E10 | E10-S12 PolarHBondContact O-N 3.08Š| ||
| 13 | I | 29.7 | Very low | 46.3 | Very low | 104 Ų | 104 | 117.9 Ų | 117.9 | 53% | 0.533 | 61% | 0.61 | S | S | . | * | trans | -138.5 | 100.4 | 171.3 | -40.6 | 179.9 | 0 | 0 | 0 | 111.1 | D15 | I13-D15 WeakPolarHBondContact CG2-O 3.33Š| ||
| 14 | P | 38.8 | Very low | 47.7 | Very low | 82 Ų | 82 | 114.9 Ų | 114.9 | 53% | 0.532 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -65.6 | -36 | -179.8 | -25.5 | 36 | 0 | 0 | 0 | 114.6 | R54 | P14-R54 PolarHBondContact O-NH1 2.65Å; P14-R54 PolarHBondContact O-NH2 2.68Å |
| 15 | D | 43.6 | Very low | 49.4 | Very low | 131 Ų | 131 | 110.1 Ų | 110.1 | 70% | 0.701 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -108.1 | 123 | 175.2 | -99 | -36.8 | 0 | 0 | 0 | 111.1 | I13 C17 | I13-D15 WeakPolarHBondContact CG2-O 3.33Å; D15-C17 VanDerWaalsContact C-N 3.35Å; D15-C17 PolarHBondContact O-N 2.82Å |
| 16 | L | 49.6 | Very low | 51 | Low | 72 Ų | 72 | 105.4 Ų | 105.4 | 38% | 0.377 | 54% | 0.543 | S | S | . | . | trans | -63.4 | 100.5 | 165.8 | -91.4 | 81 | 0 | 0 | 0 | 108.3 | T20 Q21 | L16-T20 HydrophobicContact CD2-CG2 4.03Å; L16-T20 HydrophobicContact CG-CG2 4Å; L16-Q21 HydrophobicContact CB-CG 3.81Å; L16-Q21 HydrophobicContact CD2-CG 4.19Å | ||
| 17 | C | 55.2 | Low | 52.8 | Low | 51 Ų | 51 | 106.6 Ų | 106.6 | 35% | 0.345 | 54% | 0.536 | S | S | . | . | trans | -55.8 | 156.1 | 176.2 | 72.3 | 0 | 0 | 0 | 0 | 110.5 | D15 E19 T20 Q21 | D15-C17 VanDerWaalsContact C-N 3.35Å; D15-C17 PolarHBondContact O-N 2.82Å; C17-E19 PolarHBondContact O-N 2.83Å; C17-T20 PolarHBondContact O-N 3.27Å; C17-T20 PolarHBondContact SG-N 2.91Å; C17-T20 PolarHBondContact SG-OG1 2.92Å; C17-T20 VanDerWaalsContact SG-OG1 3.35Å; C17-Q21 PolarHBondContact O-N 2.78Å | ||
| 18 | P | 63.6 | Low | 55 | Low | 111 Ų | 111 | 99.2 Ų | 99.2 | 72% | 0.721 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -53.7 | -33.2 | -178.9 | -28.6 | 36.4 | 0 | 0 | 0 | 113.1 | L22 | P18-L22 WeakPolarHBondContact O-CB 3.49Å; P18-L22 PolarHBondContact O-N 2.76Å |
| 19 | E | 68.6 | Low | 57.2 | Low | 114 Ų | 114 | 96.1 Ų | 96.1 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 173.4 | -142.8 | 66.8 | -126.6 | 0 | 0 | 112.2 | C17 L22 N23 | C17-E19 PolarHBondContact O-N 2.83Å; E19-L22 PolarHBondContact O-N 3.46Å; E19-N23 VanDerWaalsContact O-CB 3.28Å; E19-N23 WeakPolarHBondContact O-CB 3.21Å; E19-N23 PolarHBondContact O-N 3.13Å; E19-N23 PolarHBondContact O-ND2 3.49Å; E19-N23 VanDerWaalsContact O-ND2 3.17Å |
| 20 | T | 61.2 | Low | 59.4 | Low | 42 Ų | 42 | 92.7 Ų | 92.7 | 26% | 0.258 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.4 | -39.4 | -179.4 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | L16 C17 L22 N23 F24 | L16-T20 HydrophobicContact CD2-CG2 4.03Å; L16-T20 HydrophobicContact CG-CG2 4Å; C17-T20 PolarHBondContact O-N 3.27Å; C17-T20 PolarHBondContact SG-N 2.91Å; C17-T20 PolarHBondContact SG-OG1 2.92Å; C17-T20 VanDerWaalsContact SG-OG1 3.35Å; T20-L22 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 2.84Å; T20-N23 PolarHBondContact O-N 3.08Å; T20-F24 PolarHBondContact O-N 3.18Å |
| 21 | Q | 64.5 | Low | 61.6 | Low | 69 Ų | 69 | 88 Ų | 88 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 170.7 | -66.3 | -164 | 12.8 | 0 | 0 | 111.6 | L16 C17 F24 R25 | L16-Q21 HydrophobicContact CB-CG 3.81Å; L16-Q21 HydrophobicContact CD2-CG 4.19Å; C17-Q21 PolarHBondContact O-N 2.78Å; Q21-F24 PolarHBondContact O-N 2.71Å; Q21-R25 PolarHBondContact O-N 2.97Å |
| 22 | L | 73.4 | Confident | 63.6 | Low | 86 Ų | 86 | 83.1 Ų | 83.1 | 45% | 0.45 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 176.3 | -179.8 | 64.6 | 0 | 0 | 0 | 111.3 | P18 E19 T20 R25 K26 | P18-L22 WeakPolarHBondContact O-CB 3.49Å; P18-L22 PolarHBondContact O-N 2.76Å; E19-L22 PolarHBondContact O-N 3.46Å; T20-L22 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 2.84Å; L22-R25 PolarHBondContact O-N 3.26Å; L22-K26 WeakPolarHBondContact O-CB 3.09Å; L22-K26 VanDerWaalsContact O-CG 3.27Å; L22-K26 WeakPolarHBondContact O-CG 3.48Å; L22-K26 PolarHBondContact O-N 3.12Å |
| 23 | N | 72.2 | Confident | 65.9 | Low | 75 Ų | 75 | 82 Ų | 82 | 40% | 0.401 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.7 | -34.9 | 176.6 | -69.6 | -21.8 | 0 | 0 | 0 | 112.2 | E19 T20 K26 F27 | E19-N23 VanDerWaalsContact O-CB 3.28Å; E19-N23 WeakPolarHBondContact O-CB 3.21Å; E19-N23 PolarHBondContact O-N 3.13Å; E19-N23 PolarHBondContact O-ND2 3.49Å; E19-N23 VanDerWaalsContact O-ND2 3.17Å; T20-N23 PolarHBondContact O-N 3.08Å; N23-K26 PolarHBondContact O-N 2.95Å; N23-K26 WeakPolarHBondContact OD1-CD 3.35Å; N23-K26 PolarHBondContact OD1-NZ 2.81Å; N23-F27 WeakPolarHBondContact O-CB 3.34Å; N23-F27 PolarHBondContact O-N 3.2Å |
| 24 | F | 70 | Confident | 68.2 | Low | 93 Ų | 93 | 78.7 Ų | 78.7 | 41% | 0.408 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 170.9 | -160.9 | -98.8 | 0 | 0 | 0 | 111.9 | T20 Q21 F27 L28 L50 | T20-F24 PolarHBondContact O-N 3.18Å; Q21-F24 PolarHBondContact O-N 2.71Å; F24-F27 HydrophobicContact CE2-CD1 4.46Å; F24-F27 WeakPolarHBondContact O-CB 3.12Å; F24-F27 PolarHBondContact O-N 3.3Å; F24-L28 HydrophobicContact CD1-CD1 3.87Å; F24-L28 HydrophobicContact CD1-CG 4.07Å; F24-L28 HydrophobicContact CE1-CD1 3.83Å; F24-L28 HydrophobicContact CE1-CD2 4.06Å; F24-L28 HydrophobicContact CE1-CG 3.92Å; F24-L28 HydrophobicContact CZ-CD2 4.5Å; F24-L28 WeakPolarHBondContact O-CG 3.26Å; F24-L28 PolarHBondContact O-N 3.43Å; F24-L50 HydrophobicContact CD1-CD2 3.77Å; F24-L50 HydrophobicContact CE1-CD2 3.52Å |
| 25 | R | 71.8 | Confident | 70.1 | Confident | 80 Ų | 80 | 79.3 Ų | 79.3 | 30% | 0.302 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 169.6 | -82.6 | -165 | 174.8 | 115.7 | 1.2 | 112.3 | Q21 L22 F27 L28 Q29 S45 | Q21-R25 PolarHBondContact O-N 2.97Å; L22-R25 PolarHBondContact O-N 3.26Å; R25-F27 VanDerWaalsContact C-N 3.26Å; R25-F27 PolarHBondContact O-N 2.74Å; R25-L28 PolarHBondContact O-N 3.29Å; R25-Q29 WeakPolarHBondContact O-CB 3.32Å; R25-Q29 PolarHBondContact O-N 2.84Å; R25-S45 PolarHBondContact NE-O 3.46Å; R25-S45 PolarHBondContact NH2-O 2.96Å |
| 26 | K | 76.4 | Confident | 71.8 | Confident | 95 Ų | 95 | 77.8 Ų | 77.8 | 41% | 0.413 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.7 | -39 | 172.2 | -72.8 | 169 | -167.5 | 151.8 | 0 | 111.4 | L22 N23 Q29 A30 | L22-K26 WeakPolarHBondContact O-CB 3.09Å; L22-K26 VanDerWaalsContact O-CG 3.27Å; L22-K26 WeakPolarHBondContact O-CG 3.48Å; L22-K26 PolarHBondContact O-N 3.12Å; N23-K26 PolarHBondContact O-N 2.95Å; N23-K26 WeakPolarHBondContact OD1-CD 3.35Å; N23-K26 PolarHBondContact OD1-NZ 2.81Å; K26-Q29 PolarHBondContact O-N 3.26Å; K26-A30 WeakPolarHBondContact O-CB 3.45Å; K26-A30 PolarHBondContact O-N 2.82Å |
| 27 | F | 76.1 | Confident | 73.2 | Confident | 126 Ų | 126 | 79.5 Ų | 79.5 | 55% | 0.553 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.8 | -51 | 175.2 | 173.5 | -98.7 | 0 | 0 | 0 | 112 | N23 F24 R25 Q29 A30 A31 | N23-F27 WeakPolarHBondContact O-CB 3.34Å; N23-F27 PolarHBondContact O-N 3.2Å; F24-F27 HydrophobicContact CE2-CD1 4.46Å; F24-F27 WeakPolarHBondContact O-CB 3.12Å; F24-F27 PolarHBondContact O-N 3.3Å; R25-F27 VanDerWaalsContact C-N 3.26Å; R25-F27 PolarHBondContact O-N 2.74Å; F27-Q29 PolarHBondContact O-N 2.92Å; F27-A30 PolarHBondContact O-N 3.27Å; F27-A31 VanDerWaalsContact O-CB 3.27Å; F27-A31 WeakPolarHBondContact O-CB 3.16Å; F27-A31 PolarHBondContact O-N 2.84Å |
| 28 | L | 79.4 | Confident | 74.2 | Confident | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.026 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.6 | -36.5 | 175.3 | -67.9 | 174.4 | 0 | 0 | 0 | 112.1 | F24 R25 G32 I33 E34 I44 | F24-L28 HydrophobicContact CD1-CD1 3.87Å; F24-L28 HydrophobicContact CD1-CG 4.07Å; F24-L28 HydrophobicContact CE1-CD1 3.83Å; F24-L28 HydrophobicContact CE1-CD2 4.06Å; F24-L28 HydrophobicContact CE1-CG 3.92Å; F24-L28 HydrophobicContact CZ-CD2 4.5Å; F24-L28 WeakPolarHBondContact O-CG 3.26Å; F24-L28 PolarHBondContact O-N 3.43Å; R25-L28 PolarHBondContact O-N 3.29Å; L28-G32 PolarHBondContact O-N 3.48Å; L28-I33 HydrophobicContact CB-CG1 4.49Å; L28-I33 HydrophobicContact CD2-CD1 3.8Å; L28-I33 HydrophobicContact CD2-CG1 3.89Å; L28-I33 PolarHBondContact O-N 3.11Å; L28-E34 HydrophobicContact CB-CB 4.04Å; L28-E34 PolarHBondContact O-N 2.9Å; L28-I44 HydrophobicContact CD1-CG2 4.43Å; L28-I44 HydrophobicContact CD2-CG2 4.23Å |
| 29 | Q | 77.8 | Confident | 74.8 | Confident | 114 Ų | 114 | 84.6 Ų | 84.6 | 53% | 0.533 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -73.6 | -42.6 | 179.3 | -171.3 | 168.2 | 91.2 | 0 | 0 | 111.8 | R25 K26 F27 G32 E34 | R25-Q29 WeakPolarHBondContact O-CB 3.32Å; R25-Q29 PolarHBondContact O-N 2.84Å; K26-Q29 PolarHBondContact O-N 3.26Å; F27-Q29 PolarHBondContact O-N 2.92Å; Q29-G32 PolarHBondContact O-N 3.26Å; Q29-G32 VanDerWaalsContact O-N 3.13Å; Q29-E34 HydrophobicContact CB-CB 4.4Å; Q29-E34 WeakPolarHBondContact CG-OE2 3.33Å; Q29-E34 VanDerWaalsContact NE2-CD 3.34Å; Q29-E34 PolarHBondContact NE2-OE1 3.15Å; Q29-E34 PolarHBondContact NE2-OE2 3.46Å |
| 30 | A | 77.9 | Confident | 75.4 | Confident | 93 Ų | 93 | 83.7 Ų | 83.7 | 77% | 0.769 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.2 | -32.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | K26 F27 G32 | K26-A30 WeakPolarHBondContact O-CB 3.45Å; K26-A30 PolarHBondContact O-N 2.82Å; F27-A30 PolarHBondContact O-N 3.27Å; A30-G32 PolarHBondContact O-N 2.9Å |
| 31 | A | 77.1 | Confident | 76.2 | Confident | 54 Ų | 54 | 84.1 Ų | 84.1 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -4.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F27 I33 | F27-A31 VanDerWaalsContact O-CB 3.27Å; F27-A31 WeakPolarHBondContact O-CB 3.16Å; F27-A31 PolarHBondContact O-N 2.84Å; A31-I33 HydrophobicContact CB-CD1 4.26Å; A31-I33 HydrophobicContact CB-CG1 3.93Å; A31-I33 PolarHBondContact O-N 2.99Å |
| 32 | G | 75.1 | Confident | 77.2 | Confident | 65 Ų | 65 | 83.7 Ų | 83.7 | 67% | 0.67 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 7.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L28 Q29 A30 | L28-G32 PolarHBondContact O-N 3.48Å; Q29-G32 PolarHBondContact O-N 3.26Å; Q29-G32 VanDerWaalsContact O-N 3.13Å; A30-G32 PolarHBondContact O-N 2.9Å |
| 33 | I | 82.5 | Confident | 77.5 | Confident | 60 Ų | 60 | 85 Ų | 85 | 31% | 0.308 | 45% | 0.45 | S | S | . | . | trans | -103.5 | -4 | -173.7 | 58.2 | 172.1 | 0 | 0 | 0 | 114.3 | L28 A31 N35 M36 I44 | L28-I33 HydrophobicContact CB-CG1 4.49Å; L28-I33 HydrophobicContact CD2-CD1 3.8Å; L28-I33 HydrophobicContact CD2-CG1 3.89Å; L28-I33 PolarHBondContact O-N 3.11Å; A31-I33 HydrophobicContact CB-CD1 4.26Å; A31-I33 HydrophobicContact CB-CG1 3.93Å; A31-I33 PolarHBondContact O-N 2.99Å; I33-N35 PolarHBondContact O-N 3.17Å; I33-N35 VanDerWaalsContact O-N 3.08Å; I33-M36 HydrophobicContact CB-CB 4.36Å; I33-M36 WeakPolarHBondContact O-CB 3.45Å; I33-M36 PolarHBondContact O-N 3.33Å; I33-I44 WeakPolarHBondContact O-CG2 3.29Å | ||
| 34 | E | 76.7 | Confident | 77.9 | Confident | 34 Ų | 34 | 82.8 Ų | 82.8 | 16% | 0.159 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46 | -41.7 | 177.2 | -177.2 | -175.7 | -149.3 | 0 | 0 | 113.5 | L28 Q29 S45 | L28-E34 HydrophobicContact CB-CB 4.04Å; L28-E34 PolarHBondContact O-N 2.9Å; Q29-E34 HydrophobicContact CB-CB 4.4Å; Q29-E34 WeakPolarHBondContact CG-OE2 3.33Å; Q29-E34 VanDerWaalsContact NE2-CD 3.34Å; Q29-E34 PolarHBondContact NE2-OE1 3.15Å; Q29-E34 PolarHBondContact NE2-OE2 3.46Å; E34-S45 VanDerWaalsContact O-CB 3.32Å; E34-S45 WeakPolarHBondContact O-CB 3.45Å; E34-S45 PolarHBondContact O-OG 3.5Å |
| 35 | N | 79 | Confident | 78.1 | Confident | 95 Ų | 95 | 78.7 Ų | 78.7 | 51% | 0.508 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 10 | -178.3 | -63.7 | -78 | 0 | 0 | 0 | 113.6 | I33 R43 | I33-N35 PolarHBondContact O-N 3.17Å; I33-N35 VanDerWaalsContact O-N 3.08Å; N35-R43 PolarHBondContact OD1-NH1 3.1Å |
| 36 | M | 80 | Confident | 78.5 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 49% | 0.488 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 129.5 | 175.7 | -165.4 | 175.9 | 76.2 | 0 | 0 | 109.8 | I33 R43 I44 | I33-M36 HydrophobicContact CB-CB 4.36Å; I33-M36 WeakPolarHBondContact O-CB 3.45Å; I33-M36 PolarHBondContact O-N 3.33Å; M36-R43 WeakPolarHBondContact O-CA 3.48Å; M36-I44 HydrophobicContact CB-CG2 4.36Å; M36-I44 HydrophobicContact CE-CD1 4.26Å; M36-I44 PolarHBondContact O-N 3.05Å |
| 37 | L | 79.1 | Confident | 78.4 | Confident | 108 Ų | 108 | 76 Ų | 76 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | B | Isolated β-bridge | trans | -88.2 | 134.3 | 179.7 | -57.4 | 173.5 | 0 | 0 | 0 | 110.1 | R42 R43 | L37-R42 WeakPolarHBondContact CA-O 3.27Å; L37-R43 HydrophobicContact CD2-CG 3.79Å |
| 38 | I | 75.6 | Confident | 78.4 | Confident | 48 Ų | 48 | 76 Ų | 76 | 25% | 0.246 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 170.2 | 163.4 | 54.4 | 168 | 0 | 0 | 0 | 110.2 | D40 G41 R42 V49 | I38-D40 WeakPolarHBondContact CD1-OD1 3.45Å; I38-D40 WeakPolarHBondContact CD1-OD2 3.49Å; I38-D40 WeakPolarHBondContact CG1-OD1 3.39Å; I38-D40 PolarHBondContact O-N 2.87Å; I38-D40 VanDerWaalsContact O-N 3.08Å; I38-G41 PolarHBondContact O-N 2.92Å; I38-R42 HydrophobicContact CD1-CB 4.28Å; I38-R42 HydrophobicContact CG1-CB 4.16Å; I38-R42 WeakPolarHBondContact CG1-O 3.2Å; I38-R42 PolarHBondContact N-O 3.22Å; I38-V49 HydrophobicContact CD1-CB 4.31Å; I38-V49 HydrophobicContact CD1-CG1 3.78Å; I38-V49 HydrophobicContact CD1-CG2 3.54Å; I38-V49 HydrophobicContact CG1-CG2 4.36Å |
| 39 | K | 77.2 | Confident | 78.3 | Confident | 221 Ų | 221 | 76 Ų | 76 | 96% | 0.961 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.3 | -168.8 | -68.9 | 174.8 | -179.3 | 167.6 | 0 | 113.7 | ||
| 40 | D | 80.3 | Confident | 77.9 | Confident | 96 Ų | 96 | 72 Ų | 72 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 5.9 | -179.7 | 46.9 | -66.8 | 0 | 0 | 0 | 113.8 | I38 R42 | I38-D40 WeakPolarHBondContact CD1-OD1 3.45Å; I38-D40 WeakPolarHBondContact CD1-OD2 3.49Å; I38-D40 WeakPolarHBondContact CG1-OD1 3.39Å; I38-D40 PolarHBondContact O-N 2.87Å; I38-D40 VanDerWaalsContact O-N 3.08Å; D40-R42 PolarHBondContact O-N 3.4Å; D40-R42 IonicContact OD2-CZ 2.56Å; D40-R42 VanDerWaalsContact OD2-CZ 3.25Å; D40-R42 IonicContact OD2-NE 3.38Å; D40-R42 PolarHBondContact OD2-NE 2.81Å; D40-R42 IonicContact OD2-NH2 2.72Å; D40-R42 PolarHBondContact OD2-NH2 3.4Å |
| 41 | G | 78.7 | Confident | 77.4 | Confident | 51 Ų | 51 | 71.6 Ų | 71.6 | 53% | 0.526 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 85.4 | -2.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | I38 | I38-G41 PolarHBondContact O-N 2.92Š|
| 42 | R | 84.4 | Confident | 77.2 | Confident | 59 Ų | 59 | 73.8 Ų | 73.8 | 22% | 0.223 | 39% | 0.389 | C | S | . | . | trans | -72.2 | 153.8 | 164.7 | -65.3 | 177.4 | -67.1 | 158.3 | 9.2 | 110.1 | L37 I38 D40 E48 V49 E52 | L37-R42 WeakPolarHBondContact CA-O 3.27Å; I38-R42 HydrophobicContact CD1-CB 4.28Å; I38-R42 HydrophobicContact CG1-CB 4.16Å; I38-R42 WeakPolarHBondContact CG1-O 3.2Å; I38-R42 PolarHBondContact N-O 3.22Å; D40-R42 PolarHBondContact O-N 3.4Å; D40-R42 IonicContact OD2-CZ 2.56Å; D40-R42 VanDerWaalsContact OD2-CZ 3.25Å; D40-R42 IonicContact OD2-NE 3.38Å; D40-R42 PolarHBondContact OD2-NE 2.81Å; D40-R42 IonicContact OD2-NH2 2.72Å; D40-R42 PolarHBondContact OD2-NH2 3.4Å; R42-E48 IonicContact NH1-OE2 2.71Å; R42-E48 PolarHBondContact NH1-OE2 3.41Å; R42-V49 HydrophobicContact CB-CG2 3.66Å; R42-V49 HydrophobicContact CG-CG2 4.49Å; R42-E52 IonicContact CZ-OE2 3.25Å; R42-E52 IonicContact NH1-OE2 3.16Å; R42-E52 PolarHBondContact NH1-OE2 2.78Å; R42-E52 IonicContact NH2-OE1 2.83Å; R42-E52 IonicContact NH2-OE2 2.82Å; R42-E52 PolarHBondContact NH2-OE2 2.88Å | ||
| 43 | R | 80.5 | Confident | 76.8 | Confident | 114 Ų | 114 | 74.2 Ų | 74.2 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -81.8 | 149.6 | 172.3 | -58 | 175.3 | -176.7 | -155.8 | -0.7 | 109.5 | N35 M36 L37 S45 D46 | N35-R43 PolarHBondContact OD1-NH1 3.1Å; M36-R43 WeakPolarHBondContact O-CA 3.48Å; L37-R43 HydrophobicContact CD2-CG 3.79Å; R43-S45 VanDerWaalsContact CB-OG 3.26Å; R43-S45 WeakPolarHBondContact CB-OG 3.48Å; R43-S45 PolarHBondContact O-N 3.08Å; R43-S45 VanDerWaalsContact O-N 3.12Å; R43-D46 PolarHBondContact N-OD2 3.41Å; R43-D46 WeakPolarHBondContact O-CB 3.27Å; R43-D46 PolarHBondContact O-N 2.85Å |
| 44 | I | 79.5 | Confident | 75.9 | Confident | 28 Ų | 28 | 77.1 Ų | 77.1 | 14% | 0.144 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.6 | 170.6 | -158.5 | 168.2 | 0 | 0 | 0 | 112.6 | L28 I33 M36 D46 L50 I53 | L28-I44 HydrophobicContact CD1-CG2 4.43Å; L28-I44 HydrophobicContact CD2-CG2 4.23Å; I33-I44 WeakPolarHBondContact O-CG2 3.29Å; M36-I44 HydrophobicContact CB-CG2 4.36Å; M36-I44 HydrophobicContact CE-CD1 4.26Å; M36-I44 PolarHBondContact O-N 3.05Å; I44-D46 VanDerWaalsContact C-N 3.35Å; I44-L50 WeakPolarHBondContact O-CD2 3.28Å; I44-I53 HydrophobicContact CG1-CD1 4.38Å |
| 45 | S | 76.2 | Confident | 75.2 | Confident | 8 Ų | 8 | 83.1 Ų | 83.1 | 6% | 0.056 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -7.3 | 170.6 | 65.6 | 0 | 0 | 0 | 0 | 115.4 | R25 E34 R43 | R25-S45 PolarHBondContact NE-O 3.46Å; R25-S45 PolarHBondContact NH2-O 2.96Å; E34-S45 VanDerWaalsContact O-CB 3.32Å; E34-S45 WeakPolarHBondContact O-CB 3.45Å; E34-S45 PolarHBondContact O-OG 3.5Å; R43-S45 VanDerWaalsContact CB-OG 3.26Å; R43-S45 WeakPolarHBondContact CB-OG 3.48Å; R43-S45 PolarHBondContact O-N 3.08Å; R43-S45 VanDerWaalsContact O-N 3.12Å |
| 46 | D | 78.8 | Confident | 74.3 | Confident | 53 Ų | 53 | 85.3 Ų | 85.3 | 28% | 0.283 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -82.5 | 137 | -173 | -64.4 | -17.9 | 0 | 0 | 0 | 110.9 | R43 I44 E48 V49 L50 | R43-D46 PolarHBondContact N-OD2 3.41Å; R43-D46 WeakPolarHBondContact O-CB 3.27Å; R43-D46 PolarHBondContact O-N 2.85Å; I44-D46 VanDerWaalsContact C-N 3.35Å; D46-E48 PolarHBondContact O-N 3.48Å; D46-V49 HydrophobicContact CB-CG2 4.27Å; D46-V49 WeakPolarHBondContact O-CB 3.48Å; D46-V49 PolarHBondContact O-N 2.89Å; D46-L50 PolarHBondContact O-N 3.45Å; D46-L50 VanDerWaalsContact O-N 3.11Å |
| 47 | T | 73.7 | Confident | 73.1 | Confident | 65 Ų | 65 | 85.1 Ų | 85.1 | 40% | 0.399 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.1 | -31.1 | -167.7 | -40.2 | 0 | 0 | 0 | 0 | 113.2 | N51 | T47-N51 PolarHBondContact O-N 3.3Å; T47-N51 VanDerWaalsContact O-N 3.1Å; T47-N51 PolarHBondContact O-ND2 3.17Å |
| 48 | E | 77.2 | Confident | 71.7 | Confident | 126 Ų | 126 | 82.8 Ų | 82.8 | 59% | 0.589 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 173.7 | -62.4 | 177.5 | 171.1 | 0 | 0 | 112.1 | R42 D46 N51 E52 | R42-E48 IonicContact NH1-OE2 2.71Å; R42-E48 PolarHBondContact NH1-OE2 3.41Å; D46-E48 PolarHBondContact O-N 3.48Å; E48-N51 WeakPolarHBondContact O-CB 3.07Å; E48-N51 PolarHBondContact O-N 2.79Å; E48-N51 VanDerWaalsContact O-N 3.15Å; E48-E52 PolarHBondContact O-N 3.04Å |
| 49 | V | 77.3 | Confident | 70.6 | Confident | 4 Ų | 4 | 85.4 Ų | 85.4 | 2% | 0.024 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.6 | -40.3 | -179.9 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | I38 R42 D46 N51 E52 I53 | I38-V49 HydrophobicContact CD1-CB 4.31Å; I38-V49 HydrophobicContact CD1-CG1 3.78Å; I38-V49 HydrophobicContact CD1-CG2 3.54Å; I38-V49 HydrophobicContact CG1-CG2 4.36Å; R42-V49 HydrophobicContact CB-CG2 3.66Å; R42-V49 HydrophobicContact CG-CG2 4.49Å; D46-V49 HydrophobicContact CB-CG2 4.27Å; D46-V49 WeakPolarHBondContact O-CB 3.48Å; D46-V49 PolarHBondContact O-N 2.89Å; V49-N51 VanDerWaalsContact C-N 3.28Å; V49-N51 PolarHBondContact O-N 3.48Å; V49-E52 PolarHBondContact O-N 3.06Å; V49-I53 HydrophobicContact CG1-CD1 3.96Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.46Å; V49-I53 PolarHBondContact O-N 2.93Å |
| 50 | L | 68.4 | Low | 69.2 | Low | 31 Ų | 31 | 80.6 Ų | 80.6 | 16% | 0.162 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.9 | -36.8 | 173.4 | -63 | 175.2 | 0 | 0 | 0 | 111.8 | F24 I44 D46 R54 | F24-L50 HydrophobicContact CD1-CD2 3.77Å; F24-L50 HydrophobicContact CE1-CD2 3.52Å; I44-L50 WeakPolarHBondContact O-CD2 3.28Å; D46-L50 PolarHBondContact O-N 3.45Å; D46-L50 VanDerWaalsContact O-N 3.11Å; L50-R54 WeakPolarHBondContact O-CB 3.46Å; L50-R54 PolarHBondContact O-N 3.4Å |
| 51 | N | 67.4 | Low | 67.6 | Low | 85 Ų | 85 | 80.5 Ų | 80.5 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.6 | -32.3 | 175.8 | -74.9 | -17.5 | 0 | 0 | 0 | 113.4 | T47 E48 V49 R54 K55 | T47-N51 PolarHBondContact O-N 3.3Å; T47-N51 VanDerWaalsContact O-N 3.1Å; T47-N51 PolarHBondContact O-ND2 3.17Å; E48-N51 WeakPolarHBondContact O-CB 3.07Å; E48-N51 PolarHBondContact O-N 2.79Å; E48-N51 VanDerWaalsContact O-N 3.15Å; V49-N51 VanDerWaalsContact C-N 3.28Å; V49-N51 PolarHBondContact O-N 3.48Å; N51-R54 PolarHBondContact O-N 3.17Å; N51-K55 PolarHBondContact O-N 2.76Å |
| 52 | E | 73.2 | Confident | 66.1 | Low | 99 Ų | 99 | 81.5 Ų | 81.5 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.2 | -40.6 | 172.8 | -74.2 | 174.3 | 135.3 | 0 | 0 | 111.5 | R42 E48 V49 R54 K55 E56 | R42-E52 IonicContact CZ-OE2 3.25Å; R42-E52 IonicContact NH1-OE2 3.16Å; R42-E52 PolarHBondContact NH1-OE2 2.78Å; R42-E52 IonicContact NH2-OE1 2.83Å; R42-E52 IonicContact NH2-OE2 2.82Å; R42-E52 PolarHBondContact NH2-OE2 2.88Å; E48-E52 PolarHBondContact O-N 3.04Å; V49-E52 PolarHBondContact O-N 3.06Å; E52-R54 VanDerWaalsContact C-N 3.33Å; E52-R54 PolarHBondContact O-N 3.31Å; E52-K55 WeakPolarHBondContact O-CB 3.3Å; E52-K55 PolarHBondContact O-N 3.01Å; E52-K55 VanDerWaalsContact O-N 3.08Å; E52-E56 PolarHBondContact O-N 3.41Å |
| 53 | I | 68.1 | Low | 64.1 | Low | 75 Ų | 75 | 84.7 Ų | 84.7 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 171.4 | -67.1 | 166.1 | 0 | 0 | 0 | 110.6 | I44 V49 K55 E56 V57 | I44-I53 HydrophobicContact CG1-CD1 4.38Å; V49-I53 HydrophobicContact CG1-CD1 3.96Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.46Å; V49-I53 PolarHBondContact O-N 2.93Å; I53-K55 PolarHBondContact O-N 3.3Å; I53-E56 PolarHBondContact O-N 3.26Å; I53-V57 HydrophobicContact CG2-CG2 4.14Å; I53-V57 WeakPolarHBondContact O-CB 3.29Å; I53-V57 VanDerWaalsContact O-CG2 3.29Å; I53-V57 WeakPolarHBondContact O-CG2 3.41Å; I53-V57 PolarHBondContact O-N 2.88Å |
| 54 | R | 63.1 | Low | 62.4 | Low | 121 Ų | 121 | 85.3 Ų | 85.3 | 46% | 0.457 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.4 | -37.8 | 172.9 | -176.7 | 179.9 | 177 | 173.6 | 3 | 111.9 | P14 L50 N51 E52 A58 | P14-R54 PolarHBondContact O-NH1 2.65Å; P14-R54 PolarHBondContact O-NH2 2.68Å; L50-R54 WeakPolarHBondContact O-CB 3.46Å; L50-R54 PolarHBondContact O-N 3.4Å; N51-R54 PolarHBondContact O-N 3.17Å; E52-R54 VanDerWaalsContact C-N 3.33Å; E52-R54 PolarHBondContact O-N 3.31Å; R54-A58 WeakPolarHBondContact O-CB 3.12Å; R54-A58 PolarHBondContact O-N 3.49Å |
| 55 | K | 62.2 | Low | 61 | Low | 159 Ų | 159 | 91 Ų | 91 | 69% | 0.691 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.8 | -48.3 | 178.2 | -75.7 | -175 | 174.5 | -171.7 | 0 | 113.3 | N51 E52 I53 A58 V59 | N51-K55 PolarHBondContact O-N 2.76Å; E52-K55 WeakPolarHBondContact O-CB 3.3Å; E52-K55 PolarHBondContact O-N 3.01Å; E52-K55 VanDerWaalsContact O-N 3.08Å; I53-K55 PolarHBondContact O-N 3.3Å; K55-A58 PolarHBondContact O-N 3.28Å; K55-V59 PolarHBondContact O-N 3.35Å |
| 56 | E | 59.2 | Low | 59.8 | Low | 141 Ų | 141 | 97.7 Ų | 97.7 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.3 | -38.4 | 179.1 | -75.2 | -159.5 | 156.2 | 0 | 0 | 112.3 | E52 I53 A58 V59 L60 | E52-E56 PolarHBondContact O-N 3.41Å; I53-E56 PolarHBondContact O-N 3.26Å; E56-A58 VanDerWaalsContact C-N 3.34Å; E56-A58 PolarHBondContact O-N 2.83Å; E56-V59 PolarHBondContact O-N 3.45Å; E56-L60 WeakPolarHBondContact O-CB 3.4Å; E56-L60 VanDerWaalsContact O-CG 3.3Å; E56-L60 WeakPolarHBondContact O-CG 3.44Å; E56-L60 PolarHBondContact O-N 3.23Å |
| 57 | V | 55.1 | Low | 58.6 | Low | 95 Ų | 95 | 96.8 Ų | 96.8 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -37 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | I53 S61 | I53-V57 HydrophobicContact CG2-CG2 4.14Å; I53-V57 WeakPolarHBondContact O-CB 3.29Å; I53-V57 VanDerWaalsContact O-CG2 3.29Å; I53-V57 WeakPolarHBondContact O-CG2 3.41Å; I53-V57 PolarHBondContact O-N 2.88Å; V57-S61 PolarHBondContact O-N 2.9Å |
| 58 | A | 50.4 | Low | 57.8 | Low | 59 Ų | 59 | 98 Ų | 98 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R54 K55 E56 M62 | R54-A58 WeakPolarHBondContact O-CB 3.12Å; R54-A58 PolarHBondContact O-N 3.49Å; K55-A58 PolarHBondContact O-N 3.28Å; E56-A58 VanDerWaalsContact C-N 3.34Å; E56-A58 PolarHBondContact O-N 2.83Å; A58-M62 WeakPolarHBondContact O-CG 3.44Å |
| 59 | V | 52.2 | Low | 56.9 | Low | 103 Ų | 103 | 93.3 Ų | 93.3 | 62% | 0.624 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.5 | -38.5 | -179.6 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | K55 E56 S61 M62 | K55-V59 PolarHBondContact O-N 3.35Å; E56-V59 PolarHBondContact O-N 3.45Å; V59-S61 PolarHBondContact O-N 3.48Å; V59-M62 PolarHBondContact O-N 3.23Å |
| 60 | L | 47.2 | Very low | 56.3 | Low | 120 Ų | 120 | 96.4 Ų | 96.4 | 63% | 0.628 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69 | -15.4 | -178.9 | -73.3 | 169.9 | 0 | 0 | 0 | 113.9 | E56 M62 N63 | E56-L60 WeakPolarHBondContact O-CB 3.4Å; E56-L60 VanDerWaalsContact O-CG 3.3Å; E56-L60 WeakPolarHBondContact O-CG 3.44Å; E56-L60 PolarHBondContact O-N 3.23Å; L60-M62 VanDerWaalsContact C-N 3.29Å; L60-M62 PolarHBondContact O-N 3.26Å; L60-N63 PolarHBondContact O-ND2 3.03Å |
| 61 | S | 48 | Very low | 56.5 | Low | 95 Ų | 95 | 96 Ų | 96 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1.6 | 175.5 | -163 | 0 | 0 | 0 | 0 | 114.2 | V57 V59 | V57-S61 PolarHBondContact O-N 2.9Å; V59-S61 PolarHBondContact O-N 3.48Å |
| 62 | M | 45.5 | Very low | 57.2 | Low | 71 Ų | 71 | 92.1 Ų | 92.1 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | trans | -103.6 | 35.3 | -169.4 | -48.4 | -159.5 | 81.6 | 0 | 0 | 113.8 | A58 V59 L60 S71 L87 | A58-M62 WeakPolarHBondContact O-CG 3.44Å; V59-M62 PolarHBondContact O-N 3.23Å; L60-M62 VanDerWaalsContact C-N 3.29Å; L60-M62 PolarHBondContact O-N 3.26Å; M62-S71 WeakPolarHBondContact CE-OG 3.18Å; M62-L87 HydrophobicContact CE-CD2 4.22Å | ||
| 63 | N | 42.9 | Very low | 57.7 | Low | 127 Ų | 127 | 88.2 Ų | 88.2 | 68% | 0.679 | 48% | 0.479 | S | S | * | . | trans | -102.1 | -0.5 | -173.2 | -73 | -73 | 0 | 0 | 0 | 115 | L60 | L60-N63 PolarHBondContact O-ND2 3.03Š| ||
| 64 | D | 45.8 | Very low | 58.3 | Low | 126 Ų | 126 | 89.1 Ų | 89.1 | 67% | 0.674 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -97.1 | 126.2 | 170.2 | -60.8 | -48.5 | 0 | 0 | 0 | 108.8 | D66 G67 | D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.25Å; D64-G67 PolarHBondContact O-N 3.19Å |
| 65 | D | 48.3 | Very low | 59.4 | Low | 147 Ų | 147 | 83.7 Ų | 83.7 | 79% | 0.786 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -33.4 | -172 | -75.9 | -48.4 | 0 | 0 | 0 | 113 | G67 | D65-G67 PolarHBondContact O-N 3.12Š|
| 66 | D | 51.7 | Low | 60.6 | Low | 149 Ų | 149 | 76.1 Ų | 76.1 | 80% | 0.797 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -17.2 | 177.2 | -60.7 | -43.9 | 0 | 0 | 0 | 113.7 | D64 R68 | D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.25Å; D66-R68 PolarHBondContact O-N 2.92Å |
| 67 | G | 54.5 | Low | 61.8 | Low | 34 Ų | 34 | 73.6 Ų | 73.6 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -79.1 | -13.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D64 D65 S71 | D64-G67 PolarHBondContact O-N 3.19Å; D65-G67 PolarHBondContact O-N 3.12Å; G67-S71 PolarHBondContact O-N 3.49Å; G67-S71 VanDerWaalsContact O-N 3.15Å |
| 68 | R | 56.9 | Low | 63.1 | Low | 90 Ų | 90 | 73.3 Ų | 73.3 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.7 | -49.9 | -168.7 | -69.4 | 167.2 | 168.7 | -121.2 | -17.1 | 112.4 | D66 S70 S71 L72 E92 | D66-R68 PolarHBondContact O-N 2.92Å; R68-S70 PolarHBondContact O-N 2.89Å; R68-S71 WeakPolarHBondContact O-CB 3.19Å; R68-S71 PolarHBondContact O-N 3.32Å; R68-S71 PolarHBondContact O-OG 2.98Å; R68-L72 PolarHBondContact O-N 3.08Å; R68-E92 IonicContact CZ-OE2 2.74Å; R68-E92 IonicContact NH1-OE2 3.7Å; R68-E92 PolarHBondContact NH1-OE2 3.35Å; R68-E92 IonicContact NH2-OE2 2.71Å; R68-E92 PolarHBondContact NH2-OE2 3.07Å |
| 69 | T | 58.4 | Low | 64.8 | Low | 29 Ų | 29 | 72.1 Ų | 72.1 | 18% | 0.178 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 177.6 | -43.5 | 0 | 0 | 0 | 0 | 111.4 | S71 L72 I73 E97 | T69-S71 PolarHBondContact O-N 3.19Å; T69-L72 PolarHBondContact O-N 2.66Å; T69-L72 VanDerWaalsContact O-N 3.17Å; T69-I73 HydrophobicContact CG2-CD1 4.12Å; T69-I73 PolarHBondContact O-N 3.46Å; T69-I73 VanDerWaalsContact O-N 3.07Å; T69-E97 VanDerWaalsContact CB-OE1 3.32Å; T69-E97 WeakPolarHBondContact CB-OE1 3.43Å; T69-E97 HydrophobicContact CG2-CB 3.68Å; T69-E97 HydrophobicContact CG2-CG 3.69Å; T69-E97 WeakPolarHBondContact CG2-OE1 3.43Å; T69-E97 PolarHBondContact OG1-OE1 3.44Å; T69-E97 PolarHBondContact OG1-OE2 3.05Å |
| 70 | S | 63.5 | Low | 66.5 | Low | 69 Ų | 69 | 70.4 Ų | 70.4 | 48% | 0.483 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.2 | -34.9 | 174.3 | -56.5 | 0 | 0 | 0 | 0 | 112 | R68 L74 | R68-S70 PolarHBondContact O-N 2.89Å; S70-L74 WeakPolarHBondContact O-CB 3.2Å; S70-L74 WeakPolarHBondContact O-CD1 3.22Å; S70-L74 WeakPolarHBondContact O-CG 3.32Å; S70-L74 PolarHBondContact O-N 3.11Å |
| 71 | S | 72.6 | Confident | 68.4 | Low | 23 Ų | 23 | 66.8 Ų | 66.8 | 16% | 0.161 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.7 | -37.9 | 178.7 | 78.7 | 0 | 0 | 0 | 0 | 113.8 | M62 G67 R68 T69 A75 L87 | M62-S71 WeakPolarHBondContact CE-OG 3.18Å; G67-S71 PolarHBondContact O-N 3.49Å; G67-S71 VanDerWaalsContact O-N 3.15Å; R68-S71 WeakPolarHBondContact O-CB 3.19Å; R68-S71 PolarHBondContact O-N 3.32Å; R68-S71 PolarHBondContact O-OG 2.98Å; T69-S71 PolarHBondContact O-N 3.19Å; S71-A75 PolarHBondContact O-N 2.69Å; S71-L87 WeakPolarHBondContact O-CD1 3.47Å; S71-L87 WeakPolarHBondContact OG-CD2 2.99Å |
| 72 | L | 83.3 | Confident | 70.2 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.7 | -44.5 | 175.7 | 177.8 | 58.7 | 0 | 0 | 0 | 110.7 | R68 T69 L74 A75 C76 A84 L87 I88 C93 A105 | R68-L72 PolarHBondContact O-N 3.08Å; T69-L72 PolarHBondContact O-N 2.66Å; T69-L72 VanDerWaalsContact O-N 3.17Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-L74 PolarHBondContact O-N 2.64Å; L72-A75 WeakPolarHBondContact O-CB 3.39Å; L72-A75 PolarHBondContact O-N 2.61Å; L72-A75 VanDerWaalsContact O-N 3.08Å; L72-C76 PolarHBondContact O-N 3.47Å; L72-C76 PolarHBondContact O-SG 2.92Å; L72-A84 HydrophobicContact CD1-CB 4.35Å; L72-L87 HydrophobicContact CB-CD1 4.31Å; L72-L87 HydrophobicContact CD1-CB 4.16Å; L72-I88 HydrophobicContact CD1-CD1 4.29Å; L72-I88 HydrophobicContact CD1-CG1 3.89Å; L72-I88 HydrophobicContact CD2-CG1 4.41Å; L72-C93 HydrophobicContact CD2-CB 3.95Å; L72-A105 HydrophobicContact CD2-CB 4.24Å; L72-A105 HydrophobicContact CG-CB 4.18Å |
| 73 | I | 82.4 | Confident | 72.1 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 8% | 0.082 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 177.6 | -67.1 | -179.3 | 0 | 0 | 0 | 110.7 | T69 A75 C76 I77 A99 A105 | T69-I73 HydrophobicContact CG2-CD1 4.12Å; T69-I73 PolarHBondContact O-N 3.46Å; T69-I73 VanDerWaalsContact O-N 3.07Å; I73-A75 VanDerWaalsContact C-N 3.35Å; I73-A75 PolarHBondContact O-N 3.19Å; I73-C76 WeakPolarHBondContact O-CB 3.48Å; I73-C76 PolarHBondContact O-N 2.99Å; I73-I77 HydrophobicContact CG2-CD1 3.77Å; I73-I77 HydrophobicContact CG2-CG1 4.35Å; I73-I77 VanDerWaalsContact O-CG1 3.29Å; I73-I77 WeakPolarHBondContact O-CG1 3.43Å; I73-I77 PolarHBondContact O-N 3.42Å; I73-A99 HydrophobicContact CD1-CB 3.8Å; I73-A105 HydrophobicContact CG1-CB 4.34Å |
| 74 | L | 82 | Confident | 74.1 | Confident | 95 Ų | 95 | 59.1 Ų | 59.1 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 170.3 | -86.8 | 158.7 | 0 | 0 | 0 | 112.7 | S70 L72 C76 N78 | S70-L74 WeakPolarHBondContact O-CB 3.2Å; S70-L74 WeakPolarHBondContact O-CD1 3.22Å; S70-L74 WeakPolarHBondContact O-CG 3.32Å; S70-L74 PolarHBondContact O-N 3.11Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-L74 PolarHBondContact O-N 2.64Å; L74-C76 VanDerWaalsContact C-N 3.34Å; L74-N78 WeakPolarHBondContact O-CB 3.02Å; L74-N78 PolarHBondContact O-N 3.28Å; L74-N78 PolarHBondContact O-ND2 3.04Å |
| 75 | A | 85 | Confident | 76 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65 | -38.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S71 L72 I73 G79 D80 A83 A84 L87 | S71-A75 PolarHBondContact O-N 2.69Å; L72-A75 WeakPolarHBondContact O-CB 3.39Å; L72-A75 PolarHBondContact O-N 2.61Å; L72-A75 VanDerWaalsContact O-N 3.08Å; I73-A75 VanDerWaalsContact C-N 3.35Å; I73-A75 PolarHBondContact O-N 3.19Å; A75-G79 PolarHBondContact O-N 3.12Å; A75-G79 VanDerWaalsContact O-N 3.11Å; A75-D80 PolarHBondContact O-N 3.28Å; A75-A83 HydrophobicContact CB-CB 3.95Å; A75-A84 HydrophobicContact CB-CB 3.93Å; A75-L87 HydrophobicContact CB-CD1 4.25Å |
| 76 | C | 87.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.4 | -48.9 | 174.6 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | L72 I73 L74 N78 G79 A105 C108 A109 S112 I117 | L72-C76 PolarHBondContact O-N 3.47Å; L72-C76 PolarHBondContact O-SG 2.92Å; I73-C76 WeakPolarHBondContact O-CB 3.48Å; I73-C76 PolarHBondContact O-N 2.99Å; L74-C76 VanDerWaalsContact C-N 3.34Å; C76-N78 VanDerWaalsContact C-N 3.3Å; C76-N78 PolarHBondContact O-N 2.86Å; C76-G79 PolarHBondContact O-N 2.76Å; C76-G79 VanDerWaalsContact O-N 3.14Å; C76-A105 WeakPolarHBondContact CB-O 3.35Å; C76-A105 PolarHBondContact SG-O 2.97Å; C76-A105 VanDerWaalsContact SG-O 3.35Å; C76-C108 HydrophobicContact CB-CB 4.05Å; C76-A109 HydrophobicContact CB-CB 4.16Å; C76-S112 PolarHBondContact O-OG 2.77Å; C76-I117 HydrophobicContact CB-CG2 4.48Å |
| 77 | I | 84.3 | Confident | 79.1 | Confident | 87 Ų | 87 | 49.6 Ų | 49.6 | 45% | 0.446 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 177.2 | -67.5 | 169.5 | 0 | 0 | 0 | 111.9 | I73 C108 S112 | I73-I77 HydrophobicContact CG2-CD1 3.77Å; I73-I77 HydrophobicContact CG2-CG1 4.35Å; I73-I77 VanDerWaalsContact O-CG1 3.29Å; I73-I77 WeakPolarHBondContact O-CG1 3.43Å; I73-I77 PolarHBondContact O-N 3.42Å; I77-C108 HydrophobicContact CG1-CB 3.71Å; I77-S112 PolarHBondContact O-OG 2.99Å |
| 78 | N | 83.2 | Confident | 80.5 | Confident | 89 Ų | 89 | 48.5 Ų | 48.5 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -5.5 | 178.4 | -72.5 | -71.4 | 0 | 0 | 0 | 113.7 | L74 C76 D80 | L74-N78 WeakPolarHBondContact O-CB 3.02Å; L74-N78 PolarHBondContact O-N 3.28Å; L74-N78 PolarHBondContact O-ND2 3.04Å; C76-N78 VanDerWaalsContact C-N 3.3Å; C76-N78 PolarHBondContact O-N 2.86Å; N78-D80 VanDerWaalsContact C-N 3.26Å; N78-D80 PolarHBondContact O-N 3.31Å |
| 79 | G | 85.7 | Confident | 81.8 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 25 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A75 C76 D81 | A75-G79 PolarHBondContact O-N 3.12Å; A75-G79 VanDerWaalsContact O-N 3.11Å; C76-G79 PolarHBondContact O-N 2.76Å; C76-G79 VanDerWaalsContact O-N 3.14Å; G79-D81 PolarHBondContact O-N 2.99Å; G79-D81 VanDerWaalsContact O-N 3.08Å |
| 80 | D | 87.5 | Confident | 82.8 | Confident | 67 Ų | 67 | 51 Ų | 51 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | trans | -81.9 | 89.6 | -178 | -169.6 | -26.7 | 0 | 0 | 0 | 111.1 | A75 N78 E82 A83 A84 | A75-D80 PolarHBondContact O-N 3.28Å; N78-D80 VanDerWaalsContact C-N 3.26Å; N78-D80 PolarHBondContact O-N 3.31Å; D80-E82 PolarHBondContact O-N 2.97Å; D80-E82 PolarHBondContact OD1-N 2.76Å; D80-E82 VanDerWaalsContact OD1-N 3.11Å; D80-A83 HydrophobicContact CB-CB 3.85Å; D80-A83 PolarHBondContact O-N 3.44Å; D80-A83 PolarHBondContact OD1-N 3.08Å; D80-A84 WeakPolarHBondContact O-CB 3.28Å; D80-A84 PolarHBondContact O-N 2.86Å | ||
| 81 | D | 87.5 | Confident | 83.2 | Confident | 44 Ų | 44 | 51 Ų | 51 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -42.9 | -46.3 | 174.9 | -87 | -17.1 | 0 | 0 | 0 | 113.2 | G79 K85 R116 | G79-D81 PolarHBondContact O-N 2.99Å; G79-D81 VanDerWaalsContact O-N 3.08Å; D81-K85 WeakPolarHBondContact O-CB 3.2Å; D81-K85 PolarHBondContact O-N 3.4Å; D81-R116 VanDerWaalsContact OD1-CB 3.22Å; D81-R116 WeakPolarHBondContact OD1-CB 3.47Å; D81-R116 WeakPolarHBondContact OD2-CD 3.45Å; D81-R116 IonicContact OD2-CZ 3.6Å; D81-R116 IonicContact OD2-NE 3.47Å; D81-R116 IonicContact OD2-NH1 2.76Å; D81-R116 PolarHBondContact OD2-NH1 3.01Å |
| 82 | E | 85.7 | Confident | 83 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -85.6 | -33.7 | -172.2 | -75.6 | -67.2 | 156.9 | 0 | 0 | 112.1 | D80 K85 L86 | D80-E82 PolarHBondContact O-N 2.97Å; D80-E82 PolarHBondContact OD1-N 2.76Å; D80-E82 VanDerWaalsContact OD1-N 3.11Å; E82-K85 IonicContact OE1-NZ 3.98Å; E82-K85 PolarHBondContact OE1-NZ 2.63Å; E82-K85 IonicContact OE2-NZ 3.59Å; E82-K85 PolarHBondContact OE2-NZ 3.11Å; E82-L86 WeakPolarHBondContact O-CB 3.35Å; E82-L86 WeakPolarHBondContact O-CG 3.43Å; E82-L86 PolarHBondContact O-N 3.36Å |
| 83 | A | 84.3 | Confident | 82.6 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 26% | 0.256 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.8 | -48.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A75 D80 K85 L86 L87 | A75-A83 HydrophobicContact CB-CB 3.95Å; D80-A83 HydrophobicContact CB-CB 3.85Å; D80-A83 PolarHBondContact O-N 3.44Å; D80-A83 PolarHBondContact OD1-N 3.08Å; A83-K85 VanDerWaalsContact C-N 3.34Å; A83-K85 PolarHBondContact O-N 3.36Å; A83-L86 PolarHBondContact O-N 3.39Å; A83-L87 WeakPolarHBondContact O-CB 3.45Å; A83-L87 VanDerWaalsContact O-CG 3.28Å; A83-L87 WeakPolarHBondContact O-CG 3.31Å; A83-L87 PolarHBondContact O-N 3.22Å |
| 84 | A | 85.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | L72 A75 D80 L86 L87 I88 I117 | L72-A84 HydrophobicContact CD1-CB 4.35Å; A75-A84 HydrophobicContact CB-CB 3.93Å; D80-A84 WeakPolarHBondContact O-CB 3.28Å; D80-A84 PolarHBondContact O-N 2.86Å; A84-L86 PolarHBondContact O-N 3.14Å; A84-L87 PolarHBondContact O-N 2.83Å; A84-I88 WeakPolarHBondContact O-CB 3.49Å; A84-I88 WeakPolarHBondContact O-CD1 3.38Å; A84-I88 WeakPolarHBondContact O-CG1 3.39Å; A84-I88 PolarHBondContact O-N 3.34Å; A84-I117 HydrophobicContact CB-CD1 3.97Å; A84-I117 HydrophobicContact CB-CG1 4.16Å; A84-I117 HydrophobicContact CB-CG2 4.05Å |
| 85 | K | 85.9 | Confident | 82.7 | Confident | 71 Ų | 71 | 56.2 Ų | 56.2 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 176.1 | 175.5 | 161.7 | 151.2 | -93.5 | 0 | 113.5 | D81 E82 A83 L89 M120 | D81-K85 WeakPolarHBondContact O-CB 3.2Å; D81-K85 PolarHBondContact O-N 3.4Å; E82-K85 IonicContact OE1-NZ 3.98Å; E82-K85 PolarHBondContact OE1-NZ 2.63Å; E82-K85 IonicContact OE2-NZ 3.59Å; E82-K85 PolarHBondContact OE2-NZ 3.11Å; A83-K85 VanDerWaalsContact C-N 3.34Å; A83-K85 PolarHBondContact O-N 3.36Å; K85-L89 HydrophobicContact CG-CD1 3.79Å; K85-L89 WeakPolarHBondContact O-CB 3.46Å; K85-L89 WeakPolarHBondContact O-CG 3.33Å; K85-L89 PolarHBondContact O-N 2.97Å; K85-M120 HydrophobicContact CB-CE 4.07Å; K85-M120 HydrophobicContact CB-SD 3.75Å; K85-M120 HydrophobicContact CD-SD 3.92Å; K85-M120 HydrophobicContact CG-SD 4.06Å |
| 86 | L | 82.9 | Confident | 82.8 | Confident | 121 Ų | 121 | 58.8 Ų | 58.8 | 63% | 0.634 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.2 | -37.9 | 176.7 | -75.3 | 169.2 | 0 | 0 | 0 | 112.1 | E82 A83 A84 S90 | E82-L86 WeakPolarHBondContact O-CB 3.35Å; E82-L86 WeakPolarHBondContact O-CG 3.43Å; E82-L86 PolarHBondContact O-N 3.36Å; A83-L86 PolarHBondContact O-N 3.39Å; A84-L86 PolarHBondContact O-N 3.14Å; L86-S90 PolarHBondContact O-N 2.95Å; L86-S90 VanDerWaalsContact O-N 3.12Å |
| 87 | L | 82.7 | Confident | 82.4 | Confident | 30 Ų | 30 | 62.6 Ų | 62.6 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.2 | -47.5 | 177.6 | -68.8 | 168.3 | 0 | 0 | 0 | 111.5 | M62 S71 L72 A75 A83 A84 L89 S90 | M62-L87 HydrophobicContact CE-CD2 4.22Å; S71-L87 WeakPolarHBondContact O-CD1 3.47Å; S71-L87 WeakPolarHBondContact OG-CD2 2.99Å; L72-L87 HydrophobicContact CB-CD1 4.31Å; L72-L87 HydrophobicContact CD1-CB 4.16Å; A75-L87 HydrophobicContact CB-CD1 4.25Å; A83-L87 WeakPolarHBondContact O-CB 3.45Å; A83-L87 VanDerWaalsContact O-CG 3.28Å; A83-L87 WeakPolarHBondContact O-CG 3.31Å; A83-L87 PolarHBondContact O-N 3.22Å; A84-L87 PolarHBondContact O-N 2.83Å; L87-L89 PolarHBondContact O-N 2.92Å; L87-S90 WeakPolarHBondContact O-CB 3.4Å; L87-S90 PolarHBondContact O-N 3.29Å; L87-S90 PolarHBondContact O-OG 3Å |
| 88 | I | 83.6 | Confident | 82.3 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.062 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 175.8 | -65.9 | 163.9 | 0 | 0 | 0 | 110.9 | L72 A84 S90 G91 V95 M120 L121 H124 | L72-I88 HydrophobicContact CD1-CD1 4.29Å; L72-I88 HydrophobicContact CD1-CG1 3.89Å; L72-I88 HydrophobicContact CD2-CG1 4.41Å; A84-I88 WeakPolarHBondContact O-CB 3.49Å; A84-I88 WeakPolarHBondContact O-CD1 3.38Å; A84-I88 WeakPolarHBondContact O-CG1 3.39Å; A84-I88 PolarHBondContact O-N 3.34Å; I88-S90 PolarHBondContact O-N 3.22Å; I88-G91 PolarHBondContact O-N 3.42Å; I88-V95 HydrophobicContact CG1-CG1 4.27Å; I88-V95 HydrophobicContact CG2-CG1 4.42Å; I88-M120 HydrophobicContact CD1-CB 4.27Å; I88-L121 HydrophobicContact CD1-CD2 3.73Å; I88-L121 HydrophobicContact CD1-CG 4.14Å; I88-L121 HydrophobicContact CG1-CD2 4.31Å; I88-H124 HydrophobicContact CG2-CB 3.83Å |
| 89 | L | 83.4 | Confident | 82 | Confident | 115 Ų | 115 | 57.9 Ų | 57.9 | 60% | 0.602 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -7.7 | 179.6 | -67.5 | 174.4 | 0 | 0 | 0 | 114.4 | K85 L87 G91 | K85-L89 HydrophobicContact CG-CD1 3.79Å; K85-L89 WeakPolarHBondContact O-CB 3.46Å; K85-L89 WeakPolarHBondContact O-CG 3.33Å; K85-L89 PolarHBondContact O-N 2.97Å; L87-L89 PolarHBondContact O-N 2.92Å; L89-G91 VanDerWaalsContact C-N 3.29Å |
| 90 | S | 79.4 | Confident | 81.4 | Confident | 55 Ų | 55 | 63.1 Ų | 63.1 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -30.6 | 170.7 | 75.8 | 0 | 0 | 0 | 0 | 112.1 | L86 L87 I88 E92 | L86-S90 PolarHBondContact O-N 2.95Å; L86-S90 VanDerWaalsContact O-N 3.12Å; L87-S90 WeakPolarHBondContact O-CB 3.4Å; L87-S90 PolarHBondContact O-N 3.29Å; L87-S90 PolarHBondContact O-OG 3Å; I88-S90 PolarHBondContact O-N 3.22Å; S90-E92 PolarHBondContact O-N 3Å; S90-E92 PolarHBondContact OG-N 3.15Å |
| 91 | G | 73 | Confident | 80.6 | Confident | 70 Ų | 70 | 63.1 Ų | 63.1 | 72% | 0.722 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 9.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I88 L89 | I88-G91 PolarHBondContact O-N 3.42Å; L89-G91 VanDerWaalsContact C-N 3.29Å |
| 92 | E | 68.8 | Low | 80 | Confident | 118 Ų | 118 | 61.6 Ų | 61.6 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | trans | -102.5 | 2 | -177 | -56.1 | -168.7 | -177.8 | 0 | 0 | 114 | R68 S90 | R68-E92 IonicContact CZ-OE2 2.74Å; R68-E92 IonicContact NH1-OE2 3.7Å; R68-E92 PolarHBondContact NH1-OE2 3.35Å; R68-E92 IonicContact NH2-OE2 2.71Å; R68-E92 PolarHBondContact NH2-OE2 3.07Å; S90-E92 PolarHBondContact O-N 3Å; S90-E92 PolarHBondContact OG-N 3.15Å | ||
| 93 | C | 74.4 | Confident | 79.6 | Confident | 23 Ų | 23 | 60.9 Ų | 60.9 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -120.3 | 137.5 | 175.5 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | L72 | L72-C93 HydrophobicContact CD2-CB 3.95Š|
| 94 | D | 81.3 | Confident | 79.7 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | trans | -81.3 | 126.3 | 167.7 | -172.1 | -12.5 | 0 | 0 | 0 | 109.7 | N96 E97 | D94-N96 PolarHBondContact O-N 3.49Å; D94-N96 PolarHBondContact OD1-N 2.84Å; D94-E97 HydrophobicContact CB-CB 4.25Å; D94-E97 PolarHBondContact O-N 3.21Å | ||
| 95 | V | 85 | Confident | 79.8 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 9% | 0.085 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -3.2 | -178.9 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | I88 L121 H124 S126 | I88-V95 HydrophobicContact CG1-CG1 4.27Å; I88-V95 HydrophobicContact CG2-CG1 4.42Å; V95-L121 HydrophobicContact CB-CD2 4.08Å; V95-L121 HydrophobicContact CG1-CD2 4.21Å; V95-H124 HydrophobicContact CG1-CB 4.4Å; V95-S126 WeakPolarHBondContact CB-OG 3.32Å; V95-S126 PolarHBondContact O-OG 3.07Å |
| 96 | N | 86.3 | Confident | 80.1 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 5.6 | 174.6 | -68.1 | -75.5 | 0 | 0 | 0 | 113.4 | D94 G125 S126 D127 | D94-N96 PolarHBondContact O-N 3.49Å; D94-N96 PolarHBondContact OD1-N 2.84Å; N96-G125 PolarHBondContact ND2-O 3.1Å; N96-G125 PolarHBondContact OD1-O 3.24Å; N96-S126 WeakPolarHBondContact OD1-CA 3.33Å; N96-D127 PolarHBondContact OD1-N 3.17Å |
| 97 | E | 80.5 | Confident | 80.3 | Confident | 79 Ų | 79 | 51.5 Ų | 51.5 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | trans | -68 | 141.1 | -176.9 | -150.9 | 173.9 | 136.9 | 0 | 0 | 111.8 | T69 D94 | T69-E97 VanDerWaalsContact CB-OE1 3.32Å; T69-E97 WeakPolarHBondContact CB-OE1 3.43Å; T69-E97 HydrophobicContact CG2-CB 3.68Å; T69-E97 HydrophobicContact CG2-CG 3.69Å; T69-E97 WeakPolarHBondContact CG2-OE1 3.43Å; T69-E97 PolarHBondContact OG1-OE1 3.44Å; T69-E97 PolarHBondContact OG1-OE2 3.05Å; D94-E97 HydrophobicContact CB-CB 4.25Å; D94-E97 PolarHBondContact O-N 3.21Å | ||
| 98 | V | 81.5 | Confident | 80.6 | Confident | 63 Ų | 63 | 50.1 Ų | 50.1 | 38% | 0.382 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -107.5 | 122.5 | -173.4 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | E103 T104 F130 | V98-E103 CarbonylContact C-O 3.49Å; V98-E103 WeakPolarHBondContact CA-O 3.37Å; V98-T104 HydrophobicContact CG2-CG2 4.01Å; V98-F130 HydrophobicContact CB-CZ 4.49Å; V98-F130 HydrophobicContact CG1-CZ 3.96Å; V98-F130 HydrophobicContact CG2-CE2 3.65Å; V98-F130 HydrophobicContact CG2-CZ 3.66Å |
| 99 | A | 76.6 | Confident | 81 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 12% | 0.124 | 29% | 0.294 | C | S | . | . | trans | -65.1 | 160.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I73 D101 G102 E103 | I73-A99 HydrophobicContact CD1-CB 3.8Å; A99-D101 WeakPolarHBondContact CB-OD1 3.19Å; A99-D101 PolarHBondContact O-N 3.34Å; A99-G102 PolarHBondContact O-N 3.04Å; A99-E103 PolarHBondContact N-O 3.07Å | ||
| 100 | P | 73.7 | Confident | 81.4 | Confident | 144 Ų | 144 | 44 Ų | 44 | 94% | 0.935 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.6 | -180 | -25.1 | 35.6 | 0 | 0 | 0 | 114.8 | ||
| 101 | D | 70.5 | Confident | 81.8 | Confident | 66 Ų | 66 | 44.2 Ų | 44.2 | 35% | 0.353 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -12.8 | 172.9 | 46.7 | 39.8 | 0 | 0 | 0 | 114 | A99 E103 K134 | A99-D101 WeakPolarHBondContact CB-OD1 3.19Å; A99-D101 PolarHBondContact O-N 3.34Å; D101-E103 WeakPolarHBondContact OD1-CB 3.47Å; D101-E103 PolarHBondContact OD1-N 3.36Å; D101-K134 VanDerWaalsContact CA-NZ 3.25Å; D101-K134 VanDerWaalsContact CB-NZ 3.27Å; D101-K134 WeakPolarHBondContact O-CD 3.29Å; D101-K134 WeakPolarHBondContact O-CE 3.28Å; D101-K134 PolarHBondContact O-NZ 3.31Å |
| 102 | G | 74.9 | Confident | 82.5 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 12% | 0.124 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 98.4 | 0.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A99 | A99-G102 PolarHBondContact O-N 3.04Š|
| 103 | E | 77.9 | Confident | 83.6 | Confident | 86 Ų | 86 | 41 Ų | 41 | 40% | 0.402 | 24% | 0.24 | S | C | . | . | trans | -83.2 | 163.3 | 175 | -63.5 | -176.7 | -154 | 0 | 0 | 112.2 | V98 A99 D101 C108 | V98-E103 CarbonylContact C-O 3.49Å; V98-E103 WeakPolarHBondContact CA-O 3.37Å; A99-E103 PolarHBondContact N-O 3.07Å; D101-E103 WeakPolarHBondContact OD1-CB 3.47Å; D101-E103 PolarHBondContact OD1-N 3.36Å; E103-C108 PolarHBondContact OE2-SG 3.49Å | ||
| 104 | T | 86.6 | Confident | 84.4 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -125.7 | 161.2 | 175.7 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | V98 L106 T107 C108 F130 | V98-T104 HydrophobicContact CG2-CG2 4.01Å; T104-L106 PolarHBondContact O-N 3.46Å; T104-T107 PolarHBondContact N-OG1 3.11Å; T104-T107 PolarHBondContact O-N 2.89Å; T104-T107 VanDerWaalsContact O-N 3.12Å; T104-T107 PolarHBondContact O-OG1 3.26Å; T104-T107 VanDerWaalsContact O-OG1 3.13Å; T104-T107 PolarHBondContact OG1-N 3.22Å; T104-T107 VanDerWaalsContact OG1-N 3.12Å; T104-T107 PolarHBondContact OG1-OG1 2.97Å; T104-C108 PolarHBondContact O-N 3.35Å; T104-C108 PolarHBondContact O-SG 3.21Å; T104-F130 HydrophobicContact CG2-CD1 3.79Å; T104-F130 HydrophobicContact CG2-CD2 4.15Å; T104-F130 HydrophobicContact CG2-CE1 3.49Å; T104-F130 VanDerWaalsContact CG2-CE1 3.49Å; T104-F130 HydrophobicContact CG2-CE2 3.89Å; T104-F130 HydrophobicContact CG2-CG 4.11Å; T104-F130 HydrophobicContact CG2-CZ 3.55Å |
| 105 | A | 88 | Confident | 85 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -49.6 | -34.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L72 I73 C76 A109 L121 | L72-A105 HydrophobicContact CD2-CB 4.24Å; L72-A105 HydrophobicContact CG-CB 4.18Å; I73-A105 HydrophobicContact CG1-CB 4.34Å; C76-A105 WeakPolarHBondContact CB-O 3.35Å; C76-A105 PolarHBondContact SG-O 2.97Å; C76-A105 VanDerWaalsContact SG-O 3.35Å; A105-A109 VanDerWaalsContact O-CB 3.27Å; A105-A109 WeakPolarHBondContact O-CB 3.48Å; A105-A109 PolarHBondContact O-N 2.98Å; A105-L121 VanDerWaalsContact C-CD1 3.49Å; A105-L121 HydrophobicContact CB-CD1 4.1Å; A105-L121 HydrophobicContact CB-CD2 4.01Å; A105-L121 VanDerWaalsContact O-CD1 3.25Å; A105-L121 WeakPolarHBondContact O-CD1 3.47Å |
| 106 | L | 90.8 | Very high | 85.4 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.7 | -49.8 | 177.1 | -177.1 | 62 | 0 | 0 | 0 | 112.6 | T104 A109 I110 V118 L121 L122 D127 P139 L155 | T104-L106 PolarHBondContact O-N 3.46Å; L106-A109 PolarHBondContact O-N 3.38Å; L106-I110 HydrophobicContact CD1-CD1 4.13Å; L106-I110 HydrophobicContact CG-CD1 3.96Å; L106-I110 VanDerWaalsContact O-CG1 3.28Å; L106-I110 WeakPolarHBondContact O-CG1 3.45Å; L106-I110 PolarHBondContact O-N 3.26Å; L106-V118 HydrophobicContact CD1-CG1 4.05Å; L106-V118 HydrophobicContact CD1-CG2 4.46Å; L106-L121 HydrophobicContact CB-CD1 4.44Å; L106-L121 HydrophobicContact CD1-CB 4.37Å; L106-L121 HydrophobicContact CD1-CD1 4.48Å; L106-L122 HydrophobicContact CD1-CD2 4.14Å; L106-L122 HydrophobicContact CD1-CG 4.18Å; L106-L122 HydrophobicContact CD2-CD2 3.97Å; L106-D127 WeakPolarHBondContact CD2-O 3.25Å; L106-P139 HydrophobicContact CD2-CB 4.35Å; L106-P139 HydrophobicContact CD2-CG 4.07Å; L106-L155 HydrophobicContact CD2-CD2 4.46Å |
| 107 | T | 88.3 | Confident | 85.7 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 178.1 | 55.9 | 0 | 0 | 0 | 0 | 110.6 | T104 A109 I110 S111 P139 | T104-T107 PolarHBondContact N-OG1 3.11Å; T104-T107 PolarHBondContact O-N 2.89Å; T104-T107 VanDerWaalsContact O-N 3.12Å; T104-T107 PolarHBondContact O-OG1 3.26Å; T104-T107 VanDerWaalsContact O-OG1 3.13Å; T104-T107 PolarHBondContact OG1-N 3.22Å; T104-T107 VanDerWaalsContact OG1-N 3.12Å; T104-T107 PolarHBondContact OG1-OG1 2.97Å; T107-A109 PolarHBondContact O-N 2.69Å; T107-I110 CarbonylContact O-C 3.58Å; T107-I110 WeakPolarHBondContact O-CA 3.26Å; T107-I110 WeakPolarHBondContact O-CB 3.33Å; T107-I110 PolarHBondContact O-N 3.33Å; T107-S111 PolarHBondContact O-N 2.83Å; T107-S111 PolarHBondContact O-OG 3.14Å; T107-P139 HydrophobicContact CG2-CG 4.48Å |
| 108 | C | 87.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.4 | -35.9 | 177.6 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | C76 I77 E103 T104 S112 | C76-C108 HydrophobicContact CB-CB 4.05Å; I77-C108 HydrophobicContact CG1-CB 3.71Å; E103-C108 PolarHBondContact OE2-SG 3.49Å; T104-C108 PolarHBondContact O-N 3.35Å; T104-C108 PolarHBondContact O-SG 3.21Å; C108-S112 VanDerWaalsContact O-CB 3.28Å; C108-S112 WeakPolarHBondContact O-CB 3.35Å; C108-S112 PolarHBondContact O-N 3.35Å; C108-S112 VanDerWaalsContact O-N 3.14Å; C108-S112 PolarHBondContact O-OG 3.17Å |
| 109 | A | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.9 | -29.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C76 A105 L106 T107 N113 A114 I117 V118 L121 | C76-A109 HydrophobicContact CB-CB 4.16Å; A105-A109 VanDerWaalsContact O-CB 3.27Å; A105-A109 WeakPolarHBondContact O-CB 3.48Å; A105-A109 PolarHBondContact O-N 2.98Å; L106-A109 PolarHBondContact O-N 3.38Å; T107-A109 PolarHBondContact O-N 2.69Å; A109-N113 PolarHBondContact O-N 3.39Å; A109-A114 HydrophobicContact CB-CB 4.38Å; A109-A114 WeakPolarHBondContact O-CB 3.25Å; A109-A114 PolarHBondContact O-N 3.18Å; A109-I117 HydrophobicContact CB-CB 4.16Å; A109-I117 HydrophobicContact CB-CG2 3.8Å; A109-V118 HydrophobicContact CB-CG2 3.78Å; A109-L121 HydrophobicContact CB-CD1 4.02Å |
| 110 | I | 91.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -74 | -49.3 | 174.4 | -68.4 | 165.8 | 0 | 0 | 0 | 110.6 | L106 T107 S112 N113 V118 P139 E142 A143 Y148 I151 L155 | L106-I110 HydrophobicContact CD1-CD1 4.13Å; L106-I110 HydrophobicContact CG-CD1 3.96Å; L106-I110 VanDerWaalsContact O-CG1 3.28Å; L106-I110 WeakPolarHBondContact O-CG1 3.45Å; L106-I110 PolarHBondContact O-N 3.26Å; T107-I110 CarbonylContact O-C 3.58Å; T107-I110 WeakPolarHBondContact O-CA 3.26Å; T107-I110 WeakPolarHBondContact O-CB 3.33Å; T107-I110 PolarHBondContact O-N 3.33Å; I110-S112 PolarHBondContact O-N 2.82Å; I110-N113 WeakPolarHBondContact O-CA 3.28Å; I110-N113 PolarHBondContact O-N 3.18Å; I110-V118 HydrophobicContact CG1-CG2 3.79Å; I110-P139 HydrophobicContact CD1-CB 3.54Å; I110-P139 HydrophobicContact CD1-CG 4.44Å; I110-E142 HydrophobicContact CG2-CB 4.34Å; I110-E142 HydrophobicContact CG2-CG 4.14Å; I110-A143 HydrophobicContact CG2-CB 4.12Å; I110-Y148 VanDerWaalsContact O-CE2 3.25Å; I110-Y148 WeakPolarHBondContact O-CE2 3.27Å; I110-I151 HydrophobicContact CD1-CG2 4.41Å; I110-I151 HydrophobicContact CG1-CG2 3.83Å; I110-I151 HydrophobicContact CG2-CG2 4.2Å; I110-L155 HydrophobicContact CD1-CD1 4.02Å; I110-L155 HydrophobicContact CD1-CD2 4.3Å |
| 111 | S | 87.7 | Confident | 88.4 | Confident | 59 Ų | 59 | 33.4 Ų | 33.4 | 41% | 0.413 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.1 | -29.3 | 176.3 | -31.1 | 0 | 0 | 0 | 0 | 112.1 | T107 E142 | T107-S111 PolarHBondContact O-N 2.83Å; T107-S111 PolarHBondContact O-OG 3.14Å; S111-E142 WeakPolarHBondContact CB-OE1 3.19Å; S111-E142 PolarHBondContact OG-OE1 2.94Å |
| 112 | S | 88.3 | Confident | 89.5 | Confident | 49 Ų | 49 | 30.9 Ų | 30.9 | 34% | 0.343 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 0.6 | 175.3 | -52.1 | 0 | 0 | 0 | 0 | 114.2 | C76 I77 C108 I110 A114 | C76-S112 PolarHBondContact O-OG 2.77Å; I77-S112 PolarHBondContact O-OG 2.99Å; C108-S112 VanDerWaalsContact O-CB 3.28Å; C108-S112 WeakPolarHBondContact O-CB 3.35Å; C108-S112 PolarHBondContact O-N 3.35Å; C108-S112 VanDerWaalsContact O-N 3.14Å; C108-S112 PolarHBondContact O-OG 3.17Å; I110-S112 PolarHBondContact O-N 2.82Å; S112-A114 PolarHBondContact O-N 3.35Å; S112-A114 VanDerWaalsContact O-N 3.17Å |
| 113 | N | 92 | Very high | 90.3 | Very high | 70 Ų | 70 | 36 Ų | 36 | 37% | 0.374 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 34.3 | -172.4 | -162.3 | 10.8 | 0 | 0 | 0 | 114 | A109 I110 V115 Y148 I151 | A109-N113 PolarHBondContact O-N 3.39Å; I110-N113 WeakPolarHBondContact O-CA 3.28Å; I110-N113 PolarHBondContact O-N 3.18Å; N113-V115 VanDerWaalsContact C-N 3.26Å; N113-V115 PolarHBondContact O-N 2.9Å; N113-Y148 HydrophobicContact CB-CD2 4.16Å; N113-Y148 HydrophobicContact CB-CE1 4.17Å; N113-Y148 HydrophobicContact CB-CE2 3.76Å; N113-I151 VanDerWaalsContact OD1-CD1 3.25Å; N113-I151 WeakPolarHBondContact OD1-CD1 3.41Å |
| 114 | A | 92.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | trans | -83.7 | 65.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111 | A109 S112 R116 I117 V118 | A109-A114 HydrophobicContact CB-CB 4.38Å; A109-A114 WeakPolarHBondContact O-CB 3.25Å; A109-A114 PolarHBondContact O-N 3.18Å; S112-A114 PolarHBondContact O-N 3.35Å; S112-A114 VanDerWaalsContact O-N 3.17Å; A114-R116 PolarHBondContact O-N 3.16Å; A114-I117 HydrophobicContact CB-CB 3.95Å; A114-I117 HydrophobicContact CB-CD1 3.98Å; A114-I117 HydrophobicContact CB-CG1 4.07Å; A114-I117 WeakPolarHBondContact O-CA 3.45Å; A114-I117 PolarHBondContact O-N 2.67Å; A114-V118 PolarHBondContact O-N 2.87Å | ||
| 115 | V | 93.4 | Very high | 91 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 30% | 0.303 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -43.3 | -40.8 | -173 | -173.2 | 0 | 0 | 0 | 0 | 113.9 | N113 E119 D150 I151 L154 | N113-V115 VanDerWaalsContact C-N 3.26Å; N113-V115 PolarHBondContact O-N 2.9Å; V115-E119 WeakPolarHBondContact O-CB 3.4Å; V115-E119 PolarHBondContact O-N 2.98Å; V115-D150 HydrophobicContact CG1-CB 4.37Å; V115-I151 HydrophobicContact CG2-CD1 4.31Å; V115-I151 HydrophobicContact CG2-CG1 4.04Å; V115-L154 HydrophobicContact CG1-CD1 3.61Å |
| 116 | R | 92.8 | Very high | 91.1 | Very high | 163 Ų | 163 | 38.5 Ų | 38.5 | 62% | 0.615 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -72.8 | -39.5 | 177.8 | -74 | 172.5 | 179.2 | 169.5 | 3.6 | 113.7 | D81 A114 V118 E119 M120 | D81-R116 VanDerWaalsContact OD1-CB 3.22Å; D81-R116 WeakPolarHBondContact OD1-CB 3.47Å; D81-R116 WeakPolarHBondContact OD2-CD 3.45Å; D81-R116 IonicContact OD2-CZ 3.6Å; D81-R116 IonicContact OD2-NE 3.47Å; D81-R116 IonicContact OD2-NH1 2.76Å; D81-R116 PolarHBondContact OD2-NH1 3.01Å; A114-R116 PolarHBondContact O-N 3.16Å; R116-V118 VanDerWaalsContact C-N 3.35Å; R116-E119 PolarHBondContact O-N 3.16Å; R116-M120 WeakPolarHBondContact O-CB 3.32Å; R116-M120 VanDerWaalsContact O-CG 3.31Å; R116-M120 WeakPolarHBondContact O-CG 2.82Å; R116-M120 PolarHBondContact O-N 3.49Å |
| 117 | I | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -42.8 | 175.4 | -58.9 | -176.7 | 0 | 0 | 0 | 109 | C76 A84 A109 A114 E119 M120 L121 | C76-I117 HydrophobicContact CB-CG2 4.48Å; A84-I117 HydrophobicContact CB-CD1 3.97Å; A84-I117 HydrophobicContact CB-CG1 4.16Å; A84-I117 HydrophobicContact CB-CG2 4.05Å; A109-I117 HydrophobicContact CB-CB 4.16Å; A109-I117 HydrophobicContact CB-CG2 3.8Å; A114-I117 HydrophobicContact CB-CB 3.95Å; A114-I117 HydrophobicContact CB-CD1 3.98Å; A114-I117 HydrophobicContact CB-CG1 4.07Å; A114-I117 WeakPolarHBondContact O-CA 3.45Å; A114-I117 PolarHBondContact O-N 2.67Å; I117-E119 PolarHBondContact O-N 2.89Å; I117-M120 HydrophobicContact CG1-CE 4.18Å; I117-M120 PolarHBondContact O-N 3.41Å; I117-L121 HydrophobicContact CG2-CD1 3.81Å; I117-L121 HydrophobicContact CG2-CG 4.19Å; I117-L121 WeakPolarHBondContact O-CB 3.43Å; I117-L121 VanDerWaalsContact O-CG 3.26Å; I117-L121 WeakPolarHBondContact O-CG 3.39Å; I117-L121 PolarHBondContact O-N 3.5Å |
| 118 | V | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56 | -50.1 | 170.5 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L106 A109 I110 A114 R116 M120 L121 L122 I151 L154 | L106-V118 HydrophobicContact CD1-CG1 4.05Å; L106-V118 HydrophobicContact CD1-CG2 4.46Å; A109-V118 HydrophobicContact CB-CG2 3.78Å; I110-V118 HydrophobicContact CG1-CG2 3.79Å; A114-V118 PolarHBondContact O-N 2.87Å; R116-V118 VanDerWaalsContact C-N 3.35Å; V118-M120 VanDerWaalsContact C-N 3.32Å; V118-M120 PolarHBondContact O-N 2.73Å; V118-L121 PolarHBondContact O-N 3.25Å; V118-L122 HydrophobicContact CG1-CD1 3.71Å; V118-L122 HydrophobicContact CG1-CG 4.32Å; V118-L122 WeakPolarHBondContact O-CB 3.46Å; V118-L122 VanDerWaalsContact O-CG 3.27Å; V118-L122 WeakPolarHBondContact O-CG 3.45Å; V118-L122 PolarHBondContact O-N 3.05Å; V118-I151 HydrophobicContact CG1-CG2 4.37Å; V118-I151 HydrophobicContact CG2-CD1 4.26Å; V118-L154 HydrophobicContact CG1-CD1 4.49Å |
| 119 | E | 94.2 | Very high | 91.3 | Very high | 73 Ų | 73 | 43.4 Ų | 43.4 | 34% | 0.341 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.5 | -38.3 | 177.4 | -165.8 | -167.6 | -158 | 0 | 0 | 112.5 | V115 R116 I117 K123 L154 | V115-E119 WeakPolarHBondContact O-CB 3.4Å; V115-E119 PolarHBondContact O-N 2.98Å; R116-E119 PolarHBondContact O-N 3.16Å; I117-E119 PolarHBondContact O-N 2.89Å; E119-K123 HydrophobicContact CG-CD 4.19Å; E119-K123 WeakPolarHBondContact O-CB 3.17Å; E119-K123 WeakPolarHBondContact O-CD 3.41Å; E119-K123 WeakPolarHBondContact O-CG 3.32Å; E119-K123 PolarHBondContact O-N 3.17Å; E119-K123 WeakPolarHBondContact OE1-CE 3.44Å; E119-K123 IonicContact OE1-NZ 2.65Å; E119-K123 PolarHBondContact OE1-NZ 2.93Å; E119-K123 IonicContact OE2-NZ 3.46Å; E119-K123 PolarHBondContact OE2-NZ 2.58Å; E119-L154 HydrophobicContact CB-CD1 4.02Å; E119-L154 HydrophobicContact CB-CD2 4.37Å; E119-L154 HydrophobicContact CG-CD2 4Å |
| 120 | M | 91 | Very high | 90.9 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 16% | 0.163 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70 | -44.7 | 176.7 | -73.8 | -173.2 | -61.3 | 0 | 0 | 112.4 | K85 I88 R116 I117 V118 K123 H124 | K85-M120 HydrophobicContact CB-CE 4.07Å; K85-M120 HydrophobicContact CB-SD 3.75Å; K85-M120 HydrophobicContact CD-SD 3.92Å; K85-M120 HydrophobicContact CG-SD 4.06Å; I88-M120 HydrophobicContact CD1-CB 4.27Å; R116-M120 WeakPolarHBondContact O-CB 3.32Å; R116-M120 VanDerWaalsContact O-CG 3.31Å; R116-M120 WeakPolarHBondContact O-CG 2.82Å; R116-M120 PolarHBondContact O-N 3.49Å; I117-M120 HydrophobicContact CG1-CE 4.18Å; I117-M120 PolarHBondContact O-N 3.41Å; V118-M120 VanDerWaalsContact C-N 3.32Å; V118-M120 PolarHBondContact O-N 2.73Å; M120-K123 PolarHBondContact O-N 2.87Å; M120-H124 PolarHBondContact O-N 2.87Å; M120-H124 VanDerWaalsContact O-N 3.11Å; M120-H124 PolarHBondContact O-ND1 3.01Å |
| 121 | L | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -50 | 179.2 | -76.8 | 172.4 | 0 | 0 | 0 | 111.4 | I88 V95 A105 L106 A109 I117 V118 K123 H124 G125 S126 | I88-L121 HydrophobicContact CD1-CD2 3.73Å; I88-L121 HydrophobicContact CD1-CG 4.14Å; I88-L121 HydrophobicContact CG1-CD2 4.31Å; V95-L121 HydrophobicContact CB-CD2 4.08Å; V95-L121 HydrophobicContact CG1-CD2 4.21Å; A105-L121 VanDerWaalsContact C-CD1 3.49Å; A105-L121 HydrophobicContact CB-CD1 4.1Å; A105-L121 HydrophobicContact CB-CD2 4.01Å; A105-L121 VanDerWaalsContact O-CD1 3.25Å; A105-L121 WeakPolarHBondContact O-CD1 3.47Å; L106-L121 HydrophobicContact CB-CD1 4.44Å; L106-L121 HydrophobicContact CD1-CB 4.37Å; L106-L121 HydrophobicContact CD1-CD1 4.48Å; A109-L121 HydrophobicContact CB-CD1 4.02Å; I117-L121 HydrophobicContact CG2-CD1 3.81Å; I117-L121 HydrophobicContact CG2-CG 4.19Å; I117-L121 WeakPolarHBondContact O-CB 3.43Å; I117-L121 VanDerWaalsContact O-CG 3.26Å; I117-L121 WeakPolarHBondContact O-CG 3.39Å; I117-L121 PolarHBondContact O-N 3.5Å; V118-L121 PolarHBondContact O-N 3.25Å; L121-K123 VanDerWaalsContact C-N 3.31Å; L121-K123 PolarHBondContact O-N 3.18Å; L121-H124 CarbonylContact O-C 3.52Å; L121-H124 PolarHBondContact O-N 3.11Å; L121-G125 PolarHBondContact O-N 3.13Å; L121-G125 VanDerWaalsContact O-N 3.07Å; L121-S126 WeakPolarHBondContact CB-OG 3.37Å; L121-S126 PolarHBondContact O-N 2.95Å; L121-S126 PolarHBondContact O-OG 3.12Å |
| 122 | L | 92.8 | Very high | 89.1 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -40.3 | 176.5 | -66.3 | 171.3 | 0 | 0 | 0 | 111.9 | L106 V118 H124 G125 P128 L154 L155 H158 | L106-L122 HydrophobicContact CD1-CD2 4.14Å; L106-L122 HydrophobicContact CD1-CG 4.18Å; L106-L122 HydrophobicContact CD2-CD2 3.97Å; V118-L122 HydrophobicContact CG1-CD1 3.71Å; V118-L122 HydrophobicContact CG1-CG 4.32Å; V118-L122 WeakPolarHBondContact O-CB 3.46Å; V118-L122 VanDerWaalsContact O-CG 3.27Å; V118-L122 WeakPolarHBondContact O-CG 3.45Å; V118-L122 PolarHBondContact O-N 3.05Å; L122-H124 VanDerWaalsContact C-N 3.28Å; L122-H124 PolarHBondContact O-N 2.89Å; L122-G125 PolarHBondContact O-N 2.9Å; L122-P128 HydrophobicContact CD2-CB 3.87Å; L122-P128 HydrophobicContact CD2-CG 4.36Å; L122-L154 HydrophobicContact CD1-CB 4.3Å; L122-L155 HydrophobicContact CD1-CD2 4.07Å; L122-L155 HydrophobicContact CD2-CD2 4.09Å; L122-H158 HydrophobicContact CB-CB 4.15Å; L122-H158 HydrophobicContact CD1-CB 4.16Å; L122-H158 HydrophobicContact CD2-CB 4.31Å; L122-H158 HydrophobicContact CG-CB 4.44Å |
| 123 | K | 92.2 | Very high | 87.8 | Confident | 119 Ų | 119 | 54.2 Ų | 54.2 | 52% | 0.517 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.7 | -20.5 | 176 | -75.5 | 173.2 | -173.4 | 170.6 | 0 | 114.7 | E119 M120 L121 | E119-K123 HydrophobicContact CG-CD 4.19Å; E119-K123 WeakPolarHBondContact O-CB 3.17Å; E119-K123 WeakPolarHBondContact O-CD 3.41Å; E119-K123 WeakPolarHBondContact O-CG 3.32Å; E119-K123 PolarHBondContact O-N 3.17Å; E119-K123 WeakPolarHBondContact OE1-CE 3.44Å; E119-K123 IonicContact OE1-NZ 2.65Å; E119-K123 PolarHBondContact OE1-NZ 2.93Å; E119-K123 IonicContact OE2-NZ 3.46Å; E119-K123 PolarHBondContact OE2-NZ 2.58Å; M120-K123 PolarHBondContact O-N 2.87Å; L121-K123 VanDerWaalsContact C-N 3.31Å; L121-K123 PolarHBondContact O-N 3.18Å |
| 124 | H | 89.9 | Confident | 86.1 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -100.9 | 3.7 | 175.5 | -67.1 | 82.5 | 0 | 0 | 0 | 113.1 | I88 V95 M120 L121 L122 | I88-H124 HydrophobicContact CG2-CB 3.83Å; V95-H124 HydrophobicContact CG1-CB 4.4Å; M120-H124 PolarHBondContact O-N 2.87Å; M120-H124 VanDerWaalsContact O-N 3.11Å; M120-H124 PolarHBondContact O-ND1 3.01Å; L121-H124 CarbonylContact O-C 3.52Å; L121-H124 PolarHBondContact O-N 3.11Å; L122-H124 VanDerWaalsContact C-N 3.28Å; L122-H124 PolarHBondContact O-N 2.89Å |
| 125 | G | 89 | Confident | 84.3 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 46% | 0.464 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.5 | 23.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116 | N96 L121 L122 | N96-G125 PolarHBondContact ND2-O 3.1Å; N96-G125 PolarHBondContact OD1-O 3.24Å; L121-G125 PolarHBondContact O-N 3.13Å; L121-G125 VanDerWaalsContact O-N 3.07Å; L122-G125 PolarHBondContact O-N 2.9Å |
| 126 | S | 90.6 | Very high | 83 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | trans | -64.3 | 134 | 163.8 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | V95 N96 L121 P128 | V95-S126 WeakPolarHBondContact CB-OG 3.32Å; V95-S126 PolarHBondContact O-OG 3.07Å; N96-S126 WeakPolarHBondContact OD1-CA 3.33Å; L121-S126 WeakPolarHBondContact CB-OG 3.37Å; L121-S126 PolarHBondContact O-N 2.95Å; L121-S126 PolarHBondContact O-OG 3.12Å; S126-P128 VanDerWaalsContact O-CD 3.32Å; S126-P128 WeakPolarHBondContact O-CD 3.27Å | ||
| 127 | D | 89.4 | Confident | 82.2 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | trans | -74.1 | 115.3 | -178.5 | 179.8 | 16.1 | 0 | 0 | 0 | 112.6 | N96 L106 N129 | N96-D127 PolarHBondContact OD1-N 3.17Å; L106-D127 WeakPolarHBondContact CD2-O 3.25Å; D127-N129 PolarHBondContact O-N 3.42Å; D127-N129 WeakPolarHBondContact OD1-CB 3.4Å; D127-N129 PolarHBondContact OD1-N 3.48Å; D127-N129 PolarHBondContact OD1-ND2 3.05Å | ||
| 128 | P | 90.8 | Very high | 82 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -5.8 | 176.3 | 30.3 | -34.5 | 0 | 0 | 0 | 114.2 | L122 S126 P139 L155 A160 | L122-P128 HydrophobicContact CD2-CB 3.87Å; L122-P128 HydrophobicContact CD2-CG 4.36Å; S126-P128 VanDerWaalsContact O-CD 3.32Å; S126-P128 WeakPolarHBondContact O-CD 3.27Å; P128-P139 WeakPolarHBondContact O-CG 3.41Å; P128-L155 HydrophobicContact CB-CD2 3.8Å; P128-A160 HydrophobicContact CB-CB 4.06Å |
| 129 | N | 89.9 | Confident | 81.9 | Confident | 44 Ų | 44 | 57.2 Ų | 57.2 | 24% | 0.235 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 6.4 | -177.2 | -57 | -76.4 | 0 | 0 | 0 | 114.1 | D127 G159 A160 C161 Q164 | D127-N129 PolarHBondContact O-N 3.42Å; D127-N129 WeakPolarHBondContact OD1-CB 3.4Å; D127-N129 PolarHBondContact OD1-N 3.48Å; D127-N129 PolarHBondContact OD1-ND2 3.05Å; N129-G159 PolarHBondContact ND2-O 3.38Å; N129-G159 VanDerWaalsContact ND2-O 3.15Å; N129-A160 WeakPolarHBondContact OD1-CA 3.49Å; N129-C161 VanDerWaalsContact OD1-CB 3.26Å; N129-C161 WeakPolarHBondContact OD1-CB 3.27Å; N129-C161 PolarHBondContact OD1-N 3.27Å; N129-Q164 PolarHBondContact O-NE2 2.88Å |
| 130 | F | 83.6 | Confident | 81.9 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | trans | -51.1 | 142 | -179.2 | -177.4 | -99.8 | 0 | 0 | 0 | 112.8 | V98 T104 P139 | V98-F130 HydrophobicContact CB-CZ 4.49Å; V98-F130 HydrophobicContact CG1-CZ 3.96Å; V98-F130 HydrophobicContact CG2-CE2 3.65Å; V98-F130 HydrophobicContact CG2-CZ 3.66Å; T104-F130 HydrophobicContact CG2-CD1 3.79Å; T104-F130 HydrophobicContact CG2-CD2 4.15Å; T104-F130 HydrophobicContact CG2-CE1 3.49Å; T104-F130 VanDerWaalsContact CG2-CE1 3.49Å; T104-F130 HydrophobicContact CG2-CE2 3.89Å; T104-F130 HydrophobicContact CG2-CG 4.11Å; T104-F130 HydrophobicContact CG2-CZ 3.55Å; F130-P139 HydrophobicContact CB-CG 4.48Å; F130-P139 WeakPolarHBondContact O-CD 3.45Å | ||
| 131 | R | 76.2 | Confident | 82 | Confident | 84 Ų | 84 | 52.3 Ų | 52.3 | 32% | 0.317 | 26% | 0.263 | S | S | . | . | trans | -116.7 | 113.8 | 174 | -95.1 | 172.4 | 153.7 | -132 | 4.6 | 109.4 | E136 T138 K165 S166 N167 | R131-E136 WeakPolarHBondContact CD-OE2 3.29Å; R131-E136 HydrophobicContact CG-CB 4.4Å; R131-E136 IonicContact CZ-OE2 3.84Å; R131-E136 IonicContact NE-OE2 3.77Å; R131-E136 IonicContact NH1-OE1 3.66Å; R131-E136 IonicContact NH1-OE2 3.97Å; R131-E136 PolarHBondContact NH1-OE2 3.29Å; R131-T138 HydrophobicContact CG-CG2 4.48Å; R131-K165 PolarHBondContact NH2-O 3.31Å; R131-S166 PolarHBondContact NH2-O 2.89Å; R131-N167 PolarHBondContact NH1-OD1 3.22Å; R131-N167 PolarHBondContact NH2-OD1 2.88Å | ||
| 132 | G | 64.7 | Low | 81.9 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | trans | -73.9 | 139.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K134 V135 E136 | G132-K134 VanDerWaalsContact C-N 3.32Å; G132-K134 PolarHBondContact O-N 3.3Å; G132-V135 CarbonylContact O-C 3.45Å; G132-V135 VanDerWaalsContact O-O 3.1Å; G132-E136 WeakPolarHBondContact O-CG 3.4Å | ||
| 133 | K | 62 | Low | 82 | Confident | 196 Ų | 196 | 53.6 Ų | 53.6 | 85% | 0.852 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -70 | -18 | -172.3 | -72.6 | -177.7 | 179.8 | 172.3 | 0 | 116.1 | ||
| 134 | K | 55.9 | Low | 82.1 | Confident | 155 Ų | 155 | 48 Ų | 48 | 67% | 0.674 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -96 | -32.6 | -179.5 | -73.3 | -174 | -175.5 | 152.2 | 0 | 113.5 | D101 G132 | D101-K134 VanDerWaalsContact CA-NZ 3.25Å; D101-K134 VanDerWaalsContact CB-NZ 3.27Å; D101-K134 WeakPolarHBondContact O-CD 3.29Å; D101-K134 WeakPolarHBondContact O-CE 3.28Å; D101-K134 PolarHBondContact O-NZ 3.31Å; G132-K134 VanDerWaalsContact C-N 3.32Å; G132-K134 PolarHBondContact O-N 3.3Å |
| 135 | V | 55.5 | Low | 82.2 | Confident | 109 Ų | 109 | 45 Ų | 45 | 66% | 0.661 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -143.7 | 112.8 | 175.9 | -173.9 | 0 | 0 | 0 | 0 | 105.4 | G132 C137 | G132-V135 CarbonylContact O-C 3.45Å; G132-V135 VanDerWaalsContact O-O 3.1Å; V135-C137 HydrophobicContact CG1-CB 4.15Å; V135-C137 PolarHBondContact O-N 3.02Å |
| 136 | E | 65.6 | Low | 82.4 | Confident | 65 Ų | 65 | 46.1 Ų | 46.1 | 30% | 0.304 | 23% | 0.233 | S | C | . | . | trans | -79.7 | 51.6 | -179.5 | -70 | -160.9 | -116.2 | 0 | 0 | 112.1 | R131 G132 N167 | R131-E136 WeakPolarHBondContact CD-OE2 3.29Å; R131-E136 HydrophobicContact CG-CB 4.4Å; R131-E136 IonicContact CZ-OE2 3.84Å; R131-E136 IonicContact NE-OE2 3.77Å; R131-E136 IonicContact NH1-OE1 3.66Å; R131-E136 IonicContact NH1-OE2 3.97Å; R131-E136 PolarHBondContact NH1-OE2 3.29Å; G132-E136 WeakPolarHBondContact O-CG 3.4Å; E136-N167 VanDerWaalsContact CD-ND2 3.28Å; E136-N167 PolarHBondContact OE1-ND2 2.91Å | ||
| 137 | C | 76.1 | Confident | 82.6 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | trans | -79 | 141.6 | 161.9 | -156.9 | 0 | 0 | 0 | 0 | 108.1 | V135 M141 E142 | V135-C137 HydrophobicContact CG1-CB 4.15Å; V135-C137 PolarHBondContact O-N 3.02Å; C137-M141 WeakPolarHBondContact SG-CB 3.27Å; C137-E142 PolarHBondContact SG-N 3.36Å; C137-E142 VanDerWaalsContact SG-N 3.41Å | ||
| 138 | T | 88.2 | Confident | 82.9 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | trans | -90 | 159.2 | 168.3 | 67.3 | 0 | 0 | 0 | 0 | 110.4 | R131 L140 M141 E142 Q164 | R131-T138 HydrophobicContact CG-CG2 4.48Å; T138-L140 PolarHBondContact O-N 3.43Å; T138-L140 PolarHBondContact OG1-N 3.33Å; T138-M141 HydrophobicContact CG2-CE 3.94Å; T138-M141 HydrophobicContact CG2-SD 4.01Å; T138-M141 PolarHBondContact N-SD 3.42Å; T138-M141 VanDerWaalsContact N-SD 3.42Å; T138-M141 PolarHBondContact O-N 3.24Å; T138-M141 WeakPolarHBondContact OG1-CG 3.25Å; T138-M141 PolarHBondContact OG1-N 2.87Å; T138-M141 VanDerWaalsContact OG1-N 3.16Å; T138-E142 PolarHBondContact O-N 3.06Å; T138-Q164 VanDerWaalsContact CG2-CD 3.5Å; T138-Q164 HydrophobicContact CG2-CG 3.97Å | ||
| 139 | P | 90.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -42.9 | -39.2 | 167.1 | -35.6 | 38.8 | 0 | 0 | 0 | 114.1 | L106 T107 I110 P128 F130 A143 L155 | L106-P139 HydrophobicContact CD2-CB 4.35Å; L106-P139 HydrophobicContact CD2-CG 4.07Å; T107-P139 HydrophobicContact CG2-CG 4.48Å; I110-P139 HydrophobicContact CD1-CB 3.54Å; I110-P139 HydrophobicContact CD1-CG 4.44Å; P128-P139 WeakPolarHBondContact O-CG 3.41Å; F130-P139 HydrophobicContact CB-CG 4.48Å; F130-P139 WeakPolarHBondContact O-CD 3.45Å; P139-A143 WeakPolarHBondContact O-CB 3.35Å; P139-A143 PolarHBondContact O-N 2.99Å; P139-A143 VanDerWaalsContact O-N 3.08Å; P139-L155 VanDerWaalsContact C-CD1 3.49Å; P139-L155 HydrophobicContact CB-CD1 4.01Å; P139-L155 HydrophobicContact CB-CD2 3.81Å; P139-L155 VanDerWaalsContact O-CD1 3.26Å; P139-L155 WeakPolarHBondContact O-CD1 3.49Å |
| 140 | L | 94.2 | Very high | 83.3 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.3 | -38.6 | 179.1 | -174.7 | 65.9 | 0 | 0 | 0 | 112.9 | T138 A144 V152 L155 L156 A160 A172 L188 | T138-L140 PolarHBondContact O-N 3.43Å; T138-L140 PolarHBondContact OG1-N 3.33Å; L140-A144 WeakPolarHBondContact O-CB 3.37Å; L140-A144 PolarHBondContact O-N 2.8Å; L140-V152 HydrophobicContact CD1-CB 4.42Å; L140-V152 HydrophobicContact CD1-CG1 3.86Å; L140-L155 HydrophobicContact CD1-CB 4.21Å; L140-L156 HydrophobicContact CD1-CD1 4.43Å; L140-L156 HydrophobicContact CD1-CD2 4.05Å; L140-L156 HydrophobicContact CD1-CG 3.88Å; L140-L156 HydrophobicContact CD2-CD2 3.9Å; L140-A160 HydrophobicContact CB-CB 4.06Å; L140-A160 HydrophobicContact CD1-CB 4.38Å; L140-A160 HydrophobicContact CD2-CB 3.99Å; L140-A160 HydrophobicContact CG-CB 4.37Å; L140-A172 HydrophobicContact CD2-CB 4.17Å; L140-A172 HydrophobicContact CG-CB 3.93Å; L140-L188 HydrophobicContact CD1-CD2 4.32Å; L140-L188 HydrophobicContact CD2-CD2 4.28Å; L140-L188 HydrophobicContact CG-CD2 4.41Å |
| 141 | M | 92.7 | Very high | 83.9 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.1 | -40 | 175.5 | -68.8 | 163.9 | -170.8 | 0 | 0 | 111.7 | C137 T138 A144 S145 Q164 A172 Y175 | C137-M141 WeakPolarHBondContact SG-CB 3.27Å; T138-M141 HydrophobicContact CG2-CE 3.94Å; T138-M141 HydrophobicContact CG2-SD 4.01Å; T138-M141 PolarHBondContact N-SD 3.42Å; T138-M141 VanDerWaalsContact N-SD 3.42Å; T138-M141 PolarHBondContact O-N 3.24Å; T138-M141 WeakPolarHBondContact OG1-CG 3.25Å; T138-M141 PolarHBondContact OG1-N 2.87Å; T138-M141 VanDerWaalsContact OG1-N 3.16Å; M141-A144 PolarHBondContact O-N 3.31Å; M141-S145 WeakPolarHBondContact O-CB 3.18Å; M141-S145 PolarHBondContact O-N 2.91Å; M141-S145 PolarHBondContact O-OG 3.25Å; M141-Q164 HydrophobicContact CE-CB 4.36Å; M141-Q164 HydrophobicContact CE-CG 4.47Å; M141-Q164 WeakPolarHBondContact CE-O 3.26Å; M141-A172 HydrophobicContact CG-CB 4.14Å; M141-Y175 HydrophobicContact CB-CD2 3.85Å; M141-Y175 HydrophobicContact CB-CE2 4.06Å; M141-Y175 HydrophobicContact CG-CD2 3.89Å; M141-Y175 HydrophobicContact CG-CE2 3.99Å; M141-Y175 HydrophobicContact SD-CE2 4.02Å |
| 142 | E | 90.1 | Very high | 84.9 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 19% | 0.192 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66 | -47 | 177.5 | -171.1 | -174.7 | 169 | 0 | 0 | 111.1 | I110 S111 C137 T138 A144 S145 V146 | I110-E142 HydrophobicContact CG2-CB 4.34Å; I110-E142 HydrophobicContact CG2-CG 4.14Å; S111-E142 WeakPolarHBondContact CB-OE1 3.19Å; S111-E142 PolarHBondContact OG-OE1 2.94Å; C137-E142 PolarHBondContact SG-N 3.36Å; C137-E142 VanDerWaalsContact SG-N 3.41Å; T138-E142 PolarHBondContact O-N 3.06Å; E142-A144 PolarHBondContact O-N 3.41Å; E142-S145 PolarHBondContact O-N 3.27Å; E142-S145 PolarHBondContact O-OG 2.97Å; E142-S145 VanDerWaalsContact O-OG 3.1Å; E142-V146 PolarHBondContact O-N 3.1Å |
| 143 | A | 94.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.1 | -31.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I110 P139 G147 Y148 I151 V152 L155 | I110-A143 HydrophobicContact CG2-CB 4.12Å; P139-A143 WeakPolarHBondContact O-CB 3.35Å; P139-A143 PolarHBondContact O-N 2.99Å; P139-A143 VanDerWaalsContact O-N 3.08Å; A143-G147 PolarHBondContact O-N 2.87Å; A143-Y148 PolarHBondContact O-N 3Å; A143-I151 HydrophobicContact CB-CB 4.19Å; A143-I151 HydrophobicContact CB-CG2 3.59Å; A143-V152 VanDerWaalsContact C-CG2 3.5Å; A143-V152 HydrophobicContact CB-CG2 3.6Å; A143-L155 HydrophobicContact CB-CD1 3.98Å |
| 144 | A | 95.2 | Very high | 88 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -77.6 | -36.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L140 M141 E142 V146 G147 V152 A172 A176 H181 L188 | L140-A144 WeakPolarHBondContact O-CB 3.37Å; L140-A144 PolarHBondContact O-N 2.8Å; M141-A144 PolarHBondContact O-N 3.31Å; E142-A144 PolarHBondContact O-N 3.41Å; A144-V146 VanDerWaalsContact C-N 3.34Å; A144-V146 PolarHBondContact O-N 3.44Å; A144-G147 PolarHBondContact O-N 3.05Å; A144-V152 HydrophobicContact CB-CG2 4.35Å; A144-A172 HydrophobicContact CB-CB 4.06Å; A144-A172 WeakPolarHBondContact CB-O 3.43Å; A144-A176 HydrophobicContact CB-CB 4.3Å; A144-H181 PolarHBondContact O-CD2 3.22Å; A144-L188 HydrophobicContact CB-CD1 4.28Å |
| 145 | S | 92.6 | Very high | 89.9 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 23% | 0.231 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.3 | -24.4 | -179.4 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | M141 E142 S179 H181 | M141-S145 WeakPolarHBondContact O-CB 3.18Å; M141-S145 PolarHBondContact O-N 2.91Å; M141-S145 PolarHBondContact O-OG 3.25Å; E142-S145 PolarHBondContact O-N 3.27Å; E142-S145 PolarHBondContact O-OG 2.97Å; E142-S145 VanDerWaalsContact O-OG 3.1Å; S145-S179 PolarHBondContact O-OG 3.29Å; S145-S179 VanDerWaalsContact O-OG 3.14Å; S145-H181 PolarHBondContact O-NE2 2.83Å |
| 146 | V | 92.8 | Very high | 91.7 | Very high | 70 Ų | 70 | 28.6 Ų | 28.6 | 42% | 0.424 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -4.8 | 176.7 | -163 | 0 | 0 | 0 | 0 | 112.4 | E142 A144 Y148 | E142-V146 PolarHBondContact O-N 3.1Å; A144-V146 VanDerWaalsContact C-N 3.34Å; A144-V146 PolarHBondContact O-N 3.44Å; V146-Y148 HydrophobicContact CB-CD1 4.48Å; V146-Y148 HydrophobicContact CB-CD2 4.42Å; V146-Y148 HydrophobicContact CB-CE1 4.26Å; V146-Y148 HydrophobicContact CB-CE2 4.19Å; V146-Y148 HydrophobicContact CG1-CD1 4.26Å; V146-Y148 HydrophobicContact CG1-CE1 3.6Å; V146-Y148 HydrophobicContact CG1-CE2 4Å; V146-Y148 VanDerWaalsContact CG1-CZ 3.45Å |
| 147 | G | 93.9 | Very high | 93.1 | Very high | 20 Ų | 20 | 30.6 Ų | 30.6 | 21% | 0.206 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 18.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | A143 A144 T149 H181 C184 | A143-G147 PolarHBondContact O-N 2.87Å; A144-G147 PolarHBondContact O-N 3.05Å; G147-T149 PolarHBondContact O-N 2.93Å; G147-T149 PolarHBondContact O-OG1 3.12Å; G147-H181 VanDerWaalsContact CA-CD2 3.41Å; G147-H181 WeakPolarHBondContact CA-CD2 3.45Å; G147-H181 PolarHBondContact N-CD2 2.81Å; G147-H181 VanDerWaalsContact N-CD2 3.29Å; G147-H181 PolarHBondContact N-NE2 2.86Å; G147-C184 VanDerWaalsContact C-SG 3.59Å |
| 148 | Y | 95.9 | Very high | 94 | Very high | 59 Ų | 59 | 32.5 Ų | 32.5 | 23% | 0.231 | 17% | 0.17 | C | C | . | . | trans | -74.3 | 70.3 | -177.8 | -62.5 | -20.6 | 0 | 0 | 0 | 112.3 | I110 N113 A143 V146 D150 I151 V152 | I110-Y148 VanDerWaalsContact O-CE2 3.25Å; I110-Y148 WeakPolarHBondContact O-CE2 3.27Å; N113-Y148 HydrophobicContact CB-CD2 4.16Å; N113-Y148 HydrophobicContact CB-CE1 4.17Å; N113-Y148 HydrophobicContact CB-CE2 3.76Å; A143-Y148 PolarHBondContact O-N 3Å; V146-Y148 HydrophobicContact CB-CD1 4.48Å; V146-Y148 HydrophobicContact CB-CD2 4.42Å; V146-Y148 HydrophobicContact CB-CE1 4.26Å; V146-Y148 HydrophobicContact CB-CE2 4.19Å; V146-Y148 HydrophobicContact CG1-CD1 4.26Å; V146-Y148 HydrophobicContact CG1-CE1 3.6Å; V146-Y148 HydrophobicContact CG1-CE2 4Å; V146-Y148 VanDerWaalsContact CG1-CZ 3.45Å; Y148-D150 VanDerWaalsContact C-N 3.29Å; Y148-D150 PolarHBondContact O-N 3.28Å; Y148-D150 VanDerWaalsContact O-N 3.16Å; Y148-I151 HydrophobicContact CD2-CD1 4.19Å; Y148-I151 WeakPolarHBondContact O-CA 3.46Å; Y148-I151 WeakPolarHBondContact O-CB 3.43Å; Y148-I151 PolarHBondContact O-N 3.21Å; Y148-V152 PolarHBondContact O-N 3.34Å | ||
| 149 | T | 94.9 | Very high | 94.1 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 29% | 0.288 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -53.7 | -38.5 | -171.6 | -56.9 | 0 | 0 | 0 | 0 | 113.6 | G147 K153 E183 C184 L187 | G147-T149 PolarHBondContact O-N 2.93Å; G147-T149 PolarHBondContact O-OG1 3.12Å; T149-K153 WeakPolarHBondContact O-CB 3.18Å; T149-K153 PolarHBondContact O-N 3.15Å; T149-E183 HydrophobicContact CG2-CB 4.2Å; T149-C184 PolarHBondContact OG1-SG 3.02Å; T149-C184 VanDerWaalsContact OG1-SG 3.33Å; T149-L187 HydrophobicContact CG2-CD2 3.9Å; T149-L187 WeakPolarHBondContact O-CD2 3.35Å |
| 150 | D | 95.5 | Very high | 94.2 | Very high | 112 Ų | 112 | 35 Ų | 35 | 60% | 0.599 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -67.9 | -34.5 | 176.5 | -75.4 | -35.4 | 0 | 0 | 0 | 112.6 | V115 Y148 L154 | V115-D150 HydrophobicContact CG1-CB 4.37Å; Y148-D150 VanDerWaalsContact C-N 3.29Å; Y148-D150 PolarHBondContact O-N 3.28Å; Y148-D150 VanDerWaalsContact O-N 3.16Å; D150-L154 WeakPolarHBondContact O-CG 3.37Å; D150-L154 PolarHBondContact O-N 3.2Å |
| 151 | I | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75.1 | -44.5 | 175.7 | -67.8 | -177 | 0 | 0 | 0 | 110.4 | I110 N113 V115 V118 A143 Y148 K153 L154 L155 | I110-I151 HydrophobicContact CD1-CG2 4.41Å; I110-I151 HydrophobicContact CG1-CG2 3.83Å; I110-I151 HydrophobicContact CG2-CG2 4.2Å; N113-I151 VanDerWaalsContact OD1-CD1 3.25Å; N113-I151 WeakPolarHBondContact OD1-CD1 3.41Å; V115-I151 HydrophobicContact CG2-CD1 4.31Å; V115-I151 HydrophobicContact CG2-CG1 4.04Å; V118-I151 HydrophobicContact CG1-CG2 4.37Å; V118-I151 HydrophobicContact CG2-CD1 4.26Å; A143-I151 HydrophobicContact CB-CB 4.19Å; A143-I151 HydrophobicContact CB-CG2 3.59Å; Y148-I151 HydrophobicContact CD2-CD1 4.19Å; Y148-I151 WeakPolarHBondContact O-CA 3.46Å; Y148-I151 WeakPolarHBondContact O-CB 3.43Å; Y148-I151 PolarHBondContact O-N 3.21Å; I151-K153 PolarHBondContact O-N 2.88Å; I151-L154 PolarHBondContact O-N 3.08Å; I151-L154 VanDerWaalsContact O-N 3.16Å; I151-L155 HydrophobicContact CG2-CD1 3.77Å; I151-L155 HydrophobicContact CG2-CG 4.29Å; I151-L155 WeakPolarHBondContact O-CB 3.5Å; I151-L155 VanDerWaalsContact O-CG 3.29Å; I151-L155 WeakPolarHBondContact O-CG 3.2Å; I151-L155 PolarHBondContact O-N 2.95Å |
| 152 | V | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -51.7 | -45.9 | 170.6 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | L140 A143 A144 Y148 L155 L156 L187 L188 | L140-V152 HydrophobicContact CD1-CB 4.42Å; L140-V152 HydrophobicContact CD1-CG1 3.86Å; A143-V152 VanDerWaalsContact C-CG2 3.5Å; A143-V152 HydrophobicContact CB-CG2 3.6Å; A144-V152 HydrophobicContact CB-CG2 4.35Å; Y148-V152 PolarHBondContact O-N 3.34Å; V152-L155 PolarHBondContact O-N 3.05Å; V152-L156 HydrophobicContact CG1-CD1 3.8Å; V152-L156 WeakPolarHBondContact O-CB 3.48Å; V152-L156 WeakPolarHBondContact O-CD1 3.31Å; V152-L156 WeakPolarHBondContact O-CG 3.43Å; V152-L156 PolarHBondContact O-N 3.39Å; V152-L187 HydrophobicContact CB-CD2 4.11Å; V152-L187 HydrophobicContact CG1-CD2 3.7Å; V152-L187 HydrophobicContact CG1-CG 4.32Å; V152-L188 HydrophobicContact CG1-CD2 4.24Å; V152-L188 HydrophobicContact CG1-CG 4.38Å |
| 153 | K | 96.3 | Very high | 94.3 | Very high | 91 Ų | 91 | 39.6 Ų | 39.6 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -49.7 | 176.5 | -174.7 | -179.8 | 167.1 | -173.8 | 0 | 112.7 | T149 I151 L155 L156 E157 L187 | T149-K153 WeakPolarHBondContact O-CB 3.18Å; T149-K153 PolarHBondContact O-N 3.15Å; I151-K153 PolarHBondContact O-N 2.88Å; K153-L155 VanDerWaalsContact C-N 3.32Å; K153-L155 PolarHBondContact O-N 3.16Å; K153-L156 PolarHBondContact O-N 3.5Å; K153-E157 WeakPolarHBondContact CE-OE1 3.45Å; K153-E157 HydrophobicContact CG-CG 4.41Å; K153-E157 IonicContact NZ-OE1 3.92Å; K153-E157 WeakPolarHBondContact O-CB 3.48Å; K153-E157 WeakPolarHBondContact O-CG 3.11Å; K153-E157 PolarHBondContact O-N 3.1Å; K153-L187 HydrophobicContact CB-CD2 3.77Å |
| 154 | L | 95.2 | Very high | 94.1 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 178.7 | -78.9 | 173 | 0 | 0 | 0 | 112 | V115 V118 E119 L122 D150 I151 E157 H158 | V115-L154 HydrophobicContact CG1-CD1 3.61Å; V118-L154 HydrophobicContact CG1-CD1 4.49Å; E119-L154 HydrophobicContact CB-CD1 4.02Å; E119-L154 HydrophobicContact CB-CD2 4.37Å; E119-L154 HydrophobicContact CG-CD2 4Å; L122-L154 HydrophobicContact CD1-CB 4.3Å; D150-L154 WeakPolarHBondContact O-CG 3.37Å; D150-L154 PolarHBondContact O-N 3.2Å; I151-L154 PolarHBondContact O-N 3.08Å; I151-L154 VanDerWaalsContact O-N 3.16Å; L154-E157 PolarHBondContact O-N 2.95Å; L154-H158 PolarHBondContact O-N 3.41Å; L154-H158 PolarHBondContact O-ND1 3.41Å |
| 155 | L | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 177.7 | -72.5 | 167.8 | 0 | 0 | 0 | 111.5 | L106 I110 L122 P128 P139 L140 A143 I151 V152 K153 H158 G159 A160 | L106-L155 HydrophobicContact CD2-CD2 4.46Å; I110-L155 HydrophobicContact CD1-CD1 4.02Å; I110-L155 HydrophobicContact CD1-CD2 4.3Å; L122-L155 HydrophobicContact CD1-CD2 4.07Å; L122-L155 HydrophobicContact CD2-CD2 4.09Å; P128-L155 HydrophobicContact CB-CD2 3.8Å; P139-L155 VanDerWaalsContact C-CD1 3.49Å; P139-L155 HydrophobicContact CB-CD1 4.01Å; P139-L155 HydrophobicContact CB-CD2 3.81Å; P139-L155 VanDerWaalsContact O-CD1 3.26Å; P139-L155 WeakPolarHBondContact O-CD1 3.49Å; L140-L155 HydrophobicContact CD1-CB 4.21Å; A143-L155 HydrophobicContact CB-CD1 3.98Å; I151-L155 HydrophobicContact CG2-CD1 3.77Å; I151-L155 HydrophobicContact CG2-CG 4.29Å; I151-L155 WeakPolarHBondContact O-CB 3.5Å; I151-L155 VanDerWaalsContact O-CG 3.29Å; I151-L155 WeakPolarHBondContact O-CG 3.2Å; I151-L155 PolarHBondContact O-N 2.95Å; V152-L155 PolarHBondContact O-N 3.05Å; K153-L155 VanDerWaalsContact C-N 3.32Å; K153-L155 PolarHBondContact O-N 3.16Å; L155-H158 CarbonylContact O-C 3.53Å; L155-H158 PolarHBondContact O-N 2.99Å; L155-G159 PolarHBondContact O-N 3.45Å; L155-G159 VanDerWaalsContact O-N 3.1Å; L155-A160 HydrophobicContact CB-CB 3.9Å; L155-A160 VanDerWaalsContact O-CB 3.27Å; L155-A160 WeakPolarHBondContact O-CB 3.39Å; L155-A160 PolarHBondContact O-N 3.4Å |
| 156 | L | 94.7 | Very high | 93.8 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 175.3 | -68.9 | 167.1 | 0 | 0 | 0 | 112 | L140 V152 K153 H158 G159 V162 L187 L188 Y191 | L140-L156 HydrophobicContact CD1-CD1 4.43Å; L140-L156 HydrophobicContact CD1-CD2 4.05Å; L140-L156 HydrophobicContact CD1-CG 3.88Å; L140-L156 HydrophobicContact CD2-CD2 3.9Å; V152-L156 HydrophobicContact CG1-CD1 3.8Å; V152-L156 WeakPolarHBondContact O-CB 3.48Å; V152-L156 WeakPolarHBondContact O-CD1 3.31Å; V152-L156 WeakPolarHBondContact O-CG 3.43Å; V152-L156 PolarHBondContact O-N 3.39Å; K153-L156 PolarHBondContact O-N 3.5Å; L156-H158 PolarHBondContact O-N 3.37Å; L156-G159 PolarHBondContact O-N 2.84Å; L156-V162 HydrophobicContact CD2-CB 4.46Å; L156-V162 HydrophobicContact CD2-CG1 4.31Å; L156-V162 HydrophobicContact CD2-CG2 3.67Å; L156-L187 HydrophobicContact CD1-CD2 4.4Å; L156-L187 HydrophobicContact CD1-CG 4.06Å; L156-L188 HydrophobicContact CD1-CD2 4.36Å; L156-Y191 HydrophobicContact CB-CD1 3.95Å; L156-Y191 HydrophobicContact CB-CD2 4.34Å; L156-Y191 HydrophobicContact CB-CE1 3.81Å; L156-Y191 HydrophobicContact CB-CE2 4.2Å; L156-Y191 HydrophobicContact CB-CG 4.21Å; L156-Y191 HydrophobicContact CD1-CD2 3.73Å; L156-Y191 HydrophobicContact CD1-CE2 4.13Å; L156-Y191 HydrophobicContact CD1-CG 3.95Å; L156-Y191 HydrophobicContact CD2-CD1 4.29Å; L156-Y191 HydrophobicContact CD2-CG 4.18Å; L156-Y191 HydrophobicContact CG-CD1 4.49Å; L156-Y191 HydrophobicContact CG-CG 4.35Å |
| 157 | E | 94.6 | Very high | 93.4 | Very high | 107 Ų | 107 | 45.1 Ų | 45.1 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -22.9 | 176.6 | -74 | -179.8 | 172.3 | 0 | 0 | 113.3 | K153 L154 Y191 | K153-E157 WeakPolarHBondContact CE-OE1 3.45Å; K153-E157 HydrophobicContact CG-CG 4.41Å; K153-E157 IonicContact NZ-OE1 3.92Å; K153-E157 WeakPolarHBondContact O-CB 3.48Å; K153-E157 WeakPolarHBondContact O-CG 3.11Å; K153-E157 PolarHBondContact O-N 3.1Å; L154-E157 PolarHBondContact O-N 2.95Å; E157-Y191 WeakPolarHBondContact CG-OH 3.43Å |
| 158 | H | 94.2 | Very high | 93 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 32% | 0.319 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 6.8 | 176.1 | -66.1 | 78.2 | 0 | 0 | 0 | 114.1 | L122 L154 L155 L156 | L122-H158 HydrophobicContact CB-CB 4.15Å; L122-H158 HydrophobicContact CD1-CB 4.16Å; L122-H158 HydrophobicContact CD2-CB 4.31Å; L122-H158 HydrophobicContact CG-CB 4.44Å; L154-H158 PolarHBondContact O-N 3.41Å; L154-H158 PolarHBondContact O-ND1 3.41Å; L155-H158 CarbonylContact O-C 3.53Å; L155-H158 PolarHBondContact O-N 2.99Å; L156-H158 PolarHBondContact O-N 3.37Å |
| 159 | G | 91.2 | Very high | 92.8 | Very high | 46 Ų | 46 | 43 Ų | 43 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | 30.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | N129 L155 L156 | N129-G159 PolarHBondContact ND2-O 3.38Å; N129-G159 VanDerWaalsContact ND2-O 3.15Å; L155-G159 PolarHBondContact O-N 3.45Å; L155-G159 VanDerWaalsContact O-N 3.1Å; L156-G159 PolarHBondContact O-N 2.84Å |
| 160 | A | 93 | Very high | 92.7 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 7% | 0.066 | 23% | 0.232 | C | C | . | . | trans | -65.2 | 136 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P128 N129 L140 L155 V162 | P128-A160 HydrophobicContact CB-CB 4.06Å; N129-A160 WeakPolarHBondContact OD1-CA 3.49Å; L140-A160 HydrophobicContact CB-CB 4.06Å; L140-A160 HydrophobicContact CD1-CB 4.38Å; L140-A160 HydrophobicContact CD2-CB 3.99Å; L140-A160 HydrophobicContact CG-CB 4.37Å; L155-A160 HydrophobicContact CB-CB 3.9Å; L155-A160 VanDerWaalsContact O-CB 3.27Å; L155-A160 WeakPolarHBondContact O-CB 3.39Å; L155-A160 PolarHBondContact O-N 3.4Å; A160-V162 PolarHBondContact O-N 3.31Å | ||
| 161 | C | 92.3 | Very high | 92.6 | Very high | 60 Ų | 60 | 35.8 Ų | 35.8 | 41% | 0.405 | 20% | 0.204 | S | C | . | . | trans | -80.3 | 99.8 | -176.6 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | N129 A163 Q164 | N129-C161 VanDerWaalsContact OD1-CB 3.26Å; N129-C161 WeakPolarHBondContact OD1-CB 3.27Å; N129-C161 PolarHBondContact OD1-N 3.27Å; C161-A163 PolarHBondContact O-N 3.38Å; C161-Q164 HydrophobicContact CB-CB 4.05Å; C161-Q164 WeakPolarHBondContact O-CB 3.39Å; C161-Q164 PolarHBondContact O-N 3.4Å; C161-Q164 VanDerWaalsContact O-N 3.12Å | ||
| 162 | V | 93.3 | Very high | 92.6 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -35.1 | -178.9 | -150.2 | 0 | 0 | 0 | 0 | 113.6 | L156 A160 L188 | L156-V162 HydrophobicContact CD2-CB 4.46Å; L156-V162 HydrophobicContact CD2-CG1 4.31Å; L156-V162 HydrophobicContact CD2-CG2 3.67Å; A160-V162 PolarHBondContact O-N 3.31Å; V162-L188 HydrophobicContact CG1-CD2 3.93Å |
| 163 | A | 92.5 | Very high | 92.6 | Very high | 59 Ų | 59 | 35.9 Ų | 35.9 | 49% | 0.488 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 6.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C161 K165 P194 | C161-A163 PolarHBondContact O-N 3.38Å; A163-K165 PolarHBondContact O-N 2.86Å; A163-P194 HydrophobicContact CB-CG 4Å |
| 164 | Q | 90.5 | Very high | 92.6 | Very high | 42 Ų | 42 | 31.6 Ų | 31.6 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | trans | -66.8 | 134.2 | 177 | -166.9 | 162.9 | -13.8 | 0 | 0 | 109.8 | N129 T138 M141 C161 | N129-Q164 PolarHBondContact O-NE2 2.88Å; T138-Q164 VanDerWaalsContact CG2-CD 3.5Å; T138-Q164 HydrophobicContact CG2-CG 3.97Å; M141-Q164 HydrophobicContact CE-CB 4.36Å; M141-Q164 HydrophobicContact CE-CG 4.47Å; M141-Q164 WeakPolarHBondContact CE-O 3.26Å; C161-Q164 HydrophobicContact CB-CB 4.05Å; C161-Q164 WeakPolarHBondContact O-CB 3.39Å; C161-Q164 PolarHBondContact O-N 3.4Å; C161-Q164 VanDerWaalsContact O-N 3.12Å | ||
| 165 | K | 91.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 33.1 Ų | 33.1 | 34% | 0.335 | 19% | 0.19 | S | C | . | . | trans | -91.9 | 154.7 | 171.7 | -66.9 | -177.6 | 157.4 | -116.1 | 0 | 110.8 | R131 A163 G169 N170 T171 V197 Q198 | R131-K165 PolarHBondContact NH2-O 3.31Å; A163-K165 PolarHBondContact O-N 2.86Å; K165-G169 WeakPolarHBondContact CD-O 3.48Å; K165-G169 WeakPolarHBondContact CE-O 3.38Å; K165-G169 VanDerWaalsContact CG-O 3.29Å; K165-G169 WeakPolarHBondContact CG-O 3.19Å; K165-G169 PolarHBondContact NZ-O 3.08Å; K165-G169 VanDerWaalsContact NZ-O 3.14Å; K165-N170 CarbonylContact C-O 3.55Å; K165-N170 WeakPolarHBondContact CA-O 3.18Å; K165-T171 HydrophobicContact CG-CG2 4.26Å; K165-V197 VanDerWaalsContact CE-CG1 3.45Å; K165-Q198 PolarHBondContact NZ-O 3.15Å | ||
| 166 | S | 89.7 | Confident | 92.6 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | trans | -73.3 | -168.9 | 161.9 | 62.7 | 0 | 0 | 0 | 0 | 110.7 | R131 T168 G169 N170 | R131-S166 PolarHBondContact NH2-O 2.89Å; S166-T168 PolarHBondContact O-N 2.97Å; S166-T168 WeakPolarHBondContact OG-CA 3.48Å; S166-T168 PolarHBondContact OG-N 3.17Å; S166-T168 PolarHBondContact OG-OG1 3.25Å; S166-G169 PolarHBondContact OG-N 3.34Å; S166-N170 PolarHBondContact N-O 3.39Å; S166-N170 PolarHBondContact OG-N 3.14Å; S166-N170 PolarHBondContact OG-O 3.28Å | ||
| 167 | N | 85.3 | Confident | 92.7 | Very high | 89 Ų | 89 | 32.6 Ų | 32.6 | 48% | 0.476 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 14 | 164.7 | -66.3 | -2.8 | 0 | 0 | 0 | 113 | R131 E136 | R131-N167 PolarHBondContact NH1-OD1 3.22Å; R131-N167 PolarHBondContact NH2-OD1 2.88Å; E136-N167 VanDerWaalsContact CD-ND2 3.28Å; E136-N167 PolarHBondContact OE1-ND2 2.91Å |
| 168 | T | 86 | Confident | 92.7 | Very high | 33 Ų | 33 | 29.4 Ų | 29.4 | 20% | 0.202 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 18.4 | 178.7 | 65.9 | 0 | 0 | 0 | 0 | 110.9 | S166 N170 D200 | S166-T168 PolarHBondContact O-N 2.97Å; S166-T168 WeakPolarHBondContact OG-CA 3.48Å; S166-T168 PolarHBondContact OG-N 3.17Å; S166-T168 PolarHBondContact OG-OG1 3.25Å; T168-N170 PolarHBondContact O-N 3.14Å; T168-N170 PolarHBondContact OG1-ND2 2.93Å; T168-D200 VanDerWaalsContact CA-OD2 3.26Å; T168-D200 WeakPolarHBondContact CA-OD2 3.29Å; T168-D200 PolarHBondContact O-N 3.46Å |
| 169 | G | 90 | Very high | 92.7 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 70.3 | -19.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K165 S166 D200 | K165-G169 WeakPolarHBondContact CD-O 3.48Å; K165-G169 WeakPolarHBondContact CE-O 3.38Å; K165-G169 VanDerWaalsContact CG-O 3.29Å; K165-G169 WeakPolarHBondContact CG-O 3.19Å; K165-G169 PolarHBondContact NZ-O 3.08Å; K165-G169 VanDerWaalsContact NZ-O 3.14Å; S166-G169 PolarHBondContact OG-N 3.34Å; G169-D200 VanDerWaalsContact CA-CG 3.5Å; G169-D200 WeakPolarHBondContact CA-OD1 3.49Å; G169-D200 PolarHBondContact N-OD1 3.4Å; G169-D200 PolarHBondContact N-OD2 3.29Å |
| 170 | N | 92.9 | Very high | 92.9 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.043 | 17% | 0.168 | C | C | . | . | trans | -61.2 | 136.4 | -176.4 | -70.2 | -35 | 0 | 0 | 0 | 112.7 | K165 S166 T168 H174 Y175 N199 | K165-N170 CarbonylContact C-O 3.55Å; K165-N170 WeakPolarHBondContact CA-O 3.18Å; S166-N170 PolarHBondContact N-O 3.39Å; S166-N170 PolarHBondContact OG-N 3.14Å; S166-N170 PolarHBondContact OG-O 3.28Å; T168-N170 PolarHBondContact O-N 3.14Å; T168-N170 PolarHBondContact OG1-ND2 2.93Å; N170-H174 HydrophobicContact CB-CB 3.98Å; N170-H174 PolarHBondContact OD1-CD2 2.86Å; N170-Y175 HydrophobicContact CB-CD2 4.25Å; N170-Y175 HydrophobicContact CB-CE2 3.59Å; N170-N199 WeakPolarHBondContact OD1-CB 3.41Å; N170-N199 PolarHBondContact OD1-ND2 3.33Å | ||
| 171 | T | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -98.3 | 170.4 | 168.2 | 65.3 | 0 | 0 | 0 | 0 | 110.8 | K165 L173 H174 Y175 V197 | K165-T171 HydrophobicContact CG-CG2 4.26Å; T171-L173 PolarHBondContact O-N 2.83Å; T171-L173 VanDerWaalsContact O-N 3.1Å; T171-L173 PolarHBondContact OG1-N 3.27Å; T171-H174 PolarHBondContact N-ND1 3.3Å; T171-H174 VanDerWaalsContact N-ND1 3.13Å; T171-H174 WeakPolarHBondContact O-CB 3.48Å; T171-H174 PolarHBondContact O-N 3.01Å; T171-H174 PolarHBondContact OG1-ND1 3.11Å; T171-Y175 VanDerWaalsContact O-CD2 3.3Å; T171-Y175 WeakPolarHBondContact O-CD2 3.29Å; T171-Y175 PolarHBondContact O-N 3.37Å; T171-V197 HydrophobicContact CG2-CB 4.29Å; T171-V197 HydrophobicContact CG2-CG1 3.86Å; T171-V197 HydrophobicContact CG2-CG2 4.49Å | ||
| 172 | A | 95.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.5 | -27.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L140 M141 A144 A176 L188 | L140-A172 HydrophobicContact CD2-CB 4.17Å; L140-A172 HydrophobicContact CG-CB 3.93Å; M141-A172 HydrophobicContact CG-CB 4.14Å; A144-A172 HydrophobicContact CB-CB 4.06Å; A144-A172 WeakPolarHBondContact CB-O 3.43Å; A172-A176 WeakPolarHBondContact O-CB 3.28Å; A172-A176 PolarHBondContact O-N 3.33Å; A172-L188 HydrophobicContact CB-CD1 4.14Å; A172-L188 HydrophobicContact CB-CD2 4.05Å; A172-L188 WeakPolarHBondContact O-CD1 3.3Å |
| 173 | L | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.8 | -29.7 | 175.1 | -175.1 | 64.5 | 0 | 0 | 0 | 113.1 | T171 A177 V185 L188 L189 S193 M195 P205 L221 | T171-L173 PolarHBondContact O-N 2.83Å; T171-L173 VanDerWaalsContact O-N 3.1Å; T171-L173 PolarHBondContact OG1-N 3.27Å; L173-A177 WeakPolarHBondContact O-CB 3.41Å; L173-A177 PolarHBondContact O-N 3.45Å; L173-V185 HydrophobicContact CD1-CB 4.32Å; L173-V185 HydrophobicContact CD1-CG1 4.03Å; L173-V185 HydrophobicContact CD1-CG2 4.2Å; L173-L188 HydrophobicContact CB-CD1 4.4Å; L173-L188 HydrophobicContact CD1-CB 4.26Å; L173-L188 HydrophobicContact CD1-CD1 4.43Å; L173-L189 HydrophobicContact CD1-CD2 4.44Å; L173-L189 HydrophobicContact CD1-CG 4.36Å; L173-L189 HydrophobicContact CD2-CD2 3.96Å; L173-S193 VanDerWaalsContact CB-OG 3.3Å; L173-S193 WeakPolarHBondContact CB-OG 3.11Å; L173-M195 HydrophobicContact CD2-CG 4.22Å; L173-P205 HydrophobicContact CB-CG 4.36Å; L173-P205 HydrophobicContact CD2-CB 4.34Å; L173-P205 HydrophobicContact CD2-CG 4.05Å; L173-P205 HydrophobicContact CG-CB 3.97Å; L173-P205 HydrophobicContact CG-CG 3.93Å; L173-L221 HydrophobicContact CD1-CD2 4.22Å; L173-L221 HydrophobicContact CD2-CD2 4.13Å; L173-L221 HydrophobicContact CG-CD2 4.39Å |
| 174 | H | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.3 | -55.9 | 169.7 | -69.1 | 68.3 | 0 | 0 | 0 | 109.2 | N170 T171 A176 A177 T178 V197 N199 H203 | N170-H174 HydrophobicContact CB-CB 3.98Å; N170-H174 PolarHBondContact OD1-CD2 2.86Å; T171-H174 PolarHBondContact N-ND1 3.3Å; T171-H174 VanDerWaalsContact N-ND1 3.13Å; T171-H174 WeakPolarHBondContact O-CB 3.48Å; T171-H174 PolarHBondContact O-N 3.01Å; T171-H174 PolarHBondContact OG1-ND1 3.11Å; H174-A176 VanDerWaalsContact C-N 3.31Å; H174-A176 PolarHBondContact O-N 3.04Å; H174-A177 CarbonylContact O-C 3.54Å; H174-A177 WeakPolarHBondContact O-CA 3.44Å; H174-A177 WeakPolarHBondContact O-CB 3.29Å; H174-A177 PolarHBondContact O-N 3.36Å; H174-T178 PolarHBondContact O-N 3.27Å; H174-T178 PolarHBondContact O-OG1 2.8Å; H174-T178 VanDerWaalsContact O-OG1 3.04Å; H174-V197 PolarHBondContact CE1-O 3.3Å; H174-V197 PolarHBondContact NE2-O 2.77Å; H174-V197 VanDerWaalsContact NE2-O 3.15Å; H174-N199 PolarHBondContact NE2-N 3.31Å; H174-H203 PolarHBondContact NE2-O 3.5Å |
| 175 | Y | 94.2 | Very high | 94 | Very high | 50 Ų | 50 | 29.7 Ų | 29.7 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.2 | -41.6 | -179.9 | -70.6 | -70 | 0 | 0 | 0 | 113.4 | M141 N170 T171 A177 S179 | M141-Y175 HydrophobicContact CB-CD2 3.85Å; M141-Y175 HydrophobicContact CB-CE2 4.06Å; M141-Y175 HydrophobicContact CG-CD2 3.89Å; M141-Y175 HydrophobicContact CG-CE2 3.99Å; M141-Y175 HydrophobicContact SD-CE2 4.02Å; N170-Y175 HydrophobicContact CB-CD2 4.25Å; N170-Y175 HydrophobicContact CB-CE2 3.59Å; T171-Y175 VanDerWaalsContact O-CD2 3.3Å; T171-Y175 WeakPolarHBondContact O-CD2 3.29Å; T171-Y175 PolarHBondContact O-N 3.37Å; Y175-A177 VanDerWaalsContact C-N 3.3Å; Y175-A177 PolarHBondContact O-N 2.98Å; Y175-S179 WeakPolarHBondContact O-CB 3.17Å; Y175-S179 PolarHBondContact O-N 3.2Å; Y175-S179 PolarHBondContact O-OG 2.78Å |
| 176 | A | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.9 | -27.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A144 A172 H174 G180 H181 C184 V185 L188 | A144-A176 HydrophobicContact CB-CB 4.3Å; A172-A176 WeakPolarHBondContact O-CB 3.28Å; A172-A176 PolarHBondContact O-N 3.33Å; H174-A176 VanDerWaalsContact C-N 3.31Å; H174-A176 PolarHBondContact O-N 3.04Å; A176-G180 PolarHBondContact O-N 3.14Å; A176-H181 PolarHBondContact O-N 2.88Å; A176-C184 HydrophobicContact CB-CB 3.96Å; A176-V185 HydrophobicContact CB-CG2 3.78Å; A176-L188 HydrophobicContact CB-CD1 3.94Å |
| 177 | A | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -84 | -46.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L173 H174 Y175 S179 G180 P205 A209 H214 V217 | L173-A177 WeakPolarHBondContact O-CB 3.41Å; L173-A177 PolarHBondContact O-N 3.45Å; H174-A177 CarbonylContact O-C 3.54Å; H174-A177 WeakPolarHBondContact O-CA 3.44Å; H174-A177 WeakPolarHBondContact O-CB 3.29Å; H174-A177 PolarHBondContact O-N 3.36Å; Y175-A177 VanDerWaalsContact C-N 3.3Å; Y175-A177 PolarHBondContact O-N 2.98Å; A177-S179 VanDerWaalsContact C-N 3.26Å; A177-S179 PolarHBondContact O-N 3.42Å; A177-G180 PolarHBondContact O-N 3.07Å; A177-G180 VanDerWaalsContact O-N 3.11Å; A177-P205 HydrophobicContact CB-CB 3.9Å; A177-P205 WeakPolarHBondContact CB-O 3.14Å; A177-A209 HydrophobicContact CB-CB 4.23Å; A177-H214 PolarHBondContact O-CD2 3.2Å; A177-V217 HydrophobicContact CB-CG1 4.02Å |
| 178 | T | 94.9 | Very high | 95 | Very high | 40 Ų | 40 | 23.9 Ų | 23.9 | 25% | 0.245 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.3 | -40.3 | 171.2 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | H174 E208 H214 | H174-T178 PolarHBondContact O-N 3.27Å; H174-T178 PolarHBondContact O-OG1 2.8Å; H174-T178 VanDerWaalsContact O-OG1 3.04Å; T178-E208 WeakPolarHBondContact CB-OE2 3.12Å; T178-E208 VanDerWaalsContact CG2-OE2 3.23Å; T178-E208 WeakPolarHBondContact CG2-OE2 2.97Å; T178-E208 PolarHBondContact OG1-OE2 2.78Å; T178-H214 PolarHBondContact O-CD2 3.35Å; T178-H214 PolarHBondContact O-NE2 2.93Å |
| 179 | S | 93.9 | Very high | 95.5 | Very high | 53 Ų | 53 | 23.1 Ų | 23.1 | 37% | 0.371 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 3.3 | 178.7 | -64.2 | 0 | 0 | 0 | 0 | 114.9 | S145 Y175 A177 H181 | S145-S179 PolarHBondContact O-OG 3.29Å; S145-S179 VanDerWaalsContact O-OG 3.14Å; Y175-S179 WeakPolarHBondContact O-CB 3.17Å; Y175-S179 PolarHBondContact O-N 3.2Å; Y175-S179 PolarHBondContact O-OG 2.78Å; A177-S179 VanDerWaalsContact C-N 3.26Å; A177-S179 PolarHBondContact O-N 3.42Å; S179-H181 VanDerWaalsContact C-N 3.32Å; S179-H181 VanDerWaalsContact CB-CD2 3.48Å; S179-H181 WeakPolarHBondContact CB-CD2 3.36Å; S179-H181 PolarHBondContact O-N 2.66Å |
| 180 | G | 95.7 | Very high | 95.7 | Very high | 25 Ų | 25 | 29.5 Ų | 29.5 | 26% | 0.258 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 15.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A176 A177 L182 H214 | A176-G180 PolarHBondContact O-N 3.14Å; A177-G180 PolarHBondContact O-N 3.07Å; A177-G180 VanDerWaalsContact O-N 3.11Å; G180-L182 PolarHBondContact O-N 3.28Å; G180-H214 WeakPolarHBondContact CA-CD2 2.92Å; G180-H214 PolarHBondContact N-CD2 2.84Å; G180-H214 VanDerWaalsContact N-CD2 3.3Å |
| 181 | H | 96.9 | Very high | 95.7 | Very high | 56 Ų | 56 | 33.4 Ų | 33.4 | 26% | 0.259 | 17% | 0.173 | S | C | . | . | trans | -81.2 | 77.3 | -172.1 | -65.9 | -37.5 | 0 | 0 | 0 | 112.8 | A144 S145 G147 A176 S179 E183 C184 V185 | A144-H181 PolarHBondContact O-CD2 3.22Å; S145-H181 PolarHBondContact O-NE2 2.83Å; G147-H181 VanDerWaalsContact CA-CD2 3.41Å; G147-H181 WeakPolarHBondContact CA-CD2 3.45Å; G147-H181 PolarHBondContact N-CD2 2.81Å; G147-H181 VanDerWaalsContact N-CD2 3.29Å; G147-H181 PolarHBondContact N-NE2 2.86Å; A176-H181 PolarHBondContact O-N 2.88Å; S179-H181 VanDerWaalsContact C-N 3.32Å; S179-H181 VanDerWaalsContact CB-CD2 3.48Å; S179-H181 WeakPolarHBondContact CB-CD2 3.36Å; S179-H181 PolarHBondContact O-N 2.66Å; H181-E183 VanDerWaalsContact C-N 3.33Å; H181-E183 PolarHBondContact O-N 2.77Å; H181-C184 HydrophobicContact CB-CB 4.06Å; H181-C184 WeakPolarHBondContact O-CB 3.35Å; H181-C184 PolarHBondContact O-N 3.28Å; H181-V185 WeakPolarHBondContact O-CG2 3.12Å; H181-V185 PolarHBondContact O-N 3.44Å | ||
| 182 | L | 96.5 | Very high | 95.7 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -49.3 | -44.6 | -176.1 | 179.9 | 60.4 | 0 | 0 | 0 | 114.2 | G180 V185 C186 D216 V217 C220 | G180-L182 PolarHBondContact O-N 3.28Å; L182-V185 PolarHBondContact O-N 2.95Å; L182-C186 WeakPolarHBondContact O-CB 2.97Å; L182-C186 PolarHBondContact O-N 3.41Å; L182-C186 PolarHBondContact O-SG 3.42Å; L182-D216 HydrophobicContact CD2-CB 4.4Å; L182-V217 HydrophobicContact CB-CG2 4.35Å; L182-C220 HydrophobicContact CD1-CB 3.6Å |
| 183 | E | 96.1 | Very high | 95.6 | Very high | 124 Ų | 124 | 40.5 Ų | 40.5 | 58% | 0.579 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.4 | -41.9 | 179 | -73.4 | 71.1 | -163.6 | 0 | 0 | 112.4 | T149 H181 C186 L187 | T149-E183 HydrophobicContact CG2-CB 4.2Å; H181-E183 VanDerWaalsContact C-N 3.33Å; H181-E183 PolarHBondContact O-N 2.77Å; E183-C186 PolarHBondContact O-N 3.17Å; E183-L187 WeakPolarHBondContact O-CB 3.36Å; E183-L187 PolarHBondContact O-N 3.12Å |
| 184 | C | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 173.6 | -74.1 | 0 | 0 | 0 | 0 | 111.4 | G147 T149 A176 H181 L187 L188 | G147-C184 VanDerWaalsContact C-SG 3.59Å; T149-C184 PolarHBondContact OG1-SG 3.02Å; T149-C184 VanDerWaalsContact OG1-SG 3.33Å; A176-C184 HydrophobicContact CB-CB 3.96Å; H181-C184 HydrophobicContact CB-CB 4.06Å; H181-C184 WeakPolarHBondContact O-CB 3.35Å; H181-C184 PolarHBondContact O-N 3.28Å; C184-L187 PolarHBondContact O-N 3.22Å; C184-L188 WeakPolarHBondContact O-CB 3.3Å; C184-L188 VanDerWaalsContact O-CG 3.27Å; C184-L188 WeakPolarHBondContact O-CG 3.38Å; C184-L188 PolarHBondContact O-N 3.04Å |
| 185 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.8 | -50.3 | 173.1 | 170 | 0 | 0 | 0 | 0 | 110.5 | L173 A176 H181 L182 L187 L188 L189 V217 C220 L221 | L173-V185 HydrophobicContact CD1-CB 4.32Å; L173-V185 HydrophobicContact CD1-CG1 4.03Å; L173-V185 HydrophobicContact CD1-CG2 4.2Å; A176-V185 HydrophobicContact CB-CG2 3.78Å; H181-V185 WeakPolarHBondContact O-CG2 3.12Å; H181-V185 PolarHBondContact O-N 3.44Å; L182-V185 PolarHBondContact O-N 2.95Å; V185-L187 VanDerWaalsContact C-N 3.26Å; V185-L187 PolarHBondContact O-N 3.37Å; V185-L188 PolarHBondContact O-N 3.46Å; V185-L189 HydrophobicContact CG1-CD1 3.74Å; V185-L189 HydrophobicContact CG1-CG 4.44Å; V185-L189 WeakPolarHBondContact O-CB 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.37Å; V185-L189 PolarHBondContact O-N 3.1Å; V185-V217 HydrophobicContact CG1-CG1 4.39Å; V185-V217 HydrophobicContact CG2-CG1 4Å; V185-V217 HydrophobicContact CG2-CG2 4.38Å; V185-C220 HydrophobicContact CG1-CB 4.31Å; V185-L221 HydrophobicContact CG1-CD2 4.24Å; V185-L221 HydrophobicContact CG1-CG 4.4Å |
| 186 | C | 96.2 | Very high | 95.3 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -36.7 | 177.8 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | L182 E183 Q190 C220 | L182-C186 WeakPolarHBondContact O-CB 2.97Å; L182-C186 PolarHBondContact O-N 3.41Å; L182-C186 PolarHBondContact O-SG 3.42Å; E183-C186 PolarHBondContact O-N 3.17Å; C186-Q190 VanDerWaalsContact O-CG 3.31Å; C186-Q190 WeakPolarHBondContact O-CG 3.46Å; C186-Q190 PolarHBondContact O-N 3.05Å; C186-Q190 PolarHBondContact O-NE2 3.24Å; C186-C220 PolarHBondContact SG-SG 3.43Å |
| 187 | L | 95.9 | Very high | 95.1 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75.7 | -45.5 | -179.8 | 179.9 | 61.5 | 0 | 0 | 0 | 112 | T149 V152 K153 L156 E183 C184 V185 L189 Q190 Y191 | T149-L187 HydrophobicContact CG2-CD2 3.9Å; T149-L187 WeakPolarHBondContact O-CD2 3.35Å; V152-L187 HydrophobicContact CB-CD2 4.11Å; V152-L187 HydrophobicContact CG1-CD2 3.7Å; V152-L187 HydrophobicContact CG1-CG 4.32Å; K153-L187 HydrophobicContact CB-CD2 3.77Å; L156-L187 HydrophobicContact CD1-CD2 4.4Å; L156-L187 HydrophobicContact CD1-CG 4.06Å; E183-L187 WeakPolarHBondContact O-CB 3.36Å; E183-L187 PolarHBondContact O-N 3.12Å; C184-L187 PolarHBondContact O-N 3.22Å; V185-L187 VanDerWaalsContact C-N 3.26Å; V185-L187 PolarHBondContact O-N 3.37Å; L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 PolarHBondContact O-N 2.64Å; L187-Q190 WeakPolarHBondContact O-CB 3.23Å; L187-Q190 PolarHBondContact O-N 3.25Å; L187-Q190 VanDerWaalsContact O-N 3.14Å; L187-Y191 HydrophobicContact CD1-CD2 4.13Å; L187-Y191 HydrophobicContact CD1-CE2 3.88Å; L187-Y191 WeakPolarHBondContact O-CD2 3.47Å; L187-Y191 PolarHBondContact O-N 3.41Å |
| 188 | L | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 176.5 | -71.8 | 166.3 | 0 | 0 | 0 | 111.4 | L140 A144 V152 L156 V162 A172 L173 A176 C184 V185 Y191 N192 S193 | L140-L188 HydrophobicContact CD1-CD2 4.32Å; L140-L188 HydrophobicContact CD2-CD2 4.28Å; L140-L188 HydrophobicContact CG-CD2 4.41Å; A144-L188 HydrophobicContact CB-CD1 4.28Å; V152-L188 HydrophobicContact CG1-CD2 4.24Å; V152-L188 HydrophobicContact CG1-CG 4.38Å; L156-L188 HydrophobicContact CD1-CD2 4.36Å; V162-L188 HydrophobicContact CG1-CD2 3.93Å; A172-L188 HydrophobicContact CB-CD1 4.14Å; A172-L188 HydrophobicContact CB-CD2 4.05Å; A172-L188 WeakPolarHBondContact O-CD1 3.3Å; L173-L188 HydrophobicContact CB-CD1 4.4Å; L173-L188 HydrophobicContact CD1-CB 4.26Å; L173-L188 HydrophobicContact CD1-CD1 4.43Å; A176-L188 HydrophobicContact CB-CD1 3.94Å; C184-L188 WeakPolarHBondContact O-CB 3.3Å; C184-L188 VanDerWaalsContact O-CG 3.27Å; C184-L188 WeakPolarHBondContact O-CG 3.38Å; C184-L188 PolarHBondContact O-N 3.04Å; V185-L188 PolarHBondContact O-N 3.46Å; L188-Y191 CarbonylContact O-C 3.58Å; L188-Y191 PolarHBondContact O-N 3.47Å; L188-Y191 VanDerWaalsContact O-N 3.17Å; L188-N192 PolarHBondContact O-N 2.81Å; L188-S193 WeakPolarHBondContact O-CB 3.45Å; L188-S193 PolarHBondContact O-N 2.86Å |
| 189 | L | 95.2 | Very high | 94.8 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 174.8 | -67 | 170.8 | 0 | 0 | 0 | 112.8 | L173 V185 L187 Y191 N192 M195 L221 H224 | L173-L189 HydrophobicContact CD1-CD2 4.44Å; L173-L189 HydrophobicContact CD1-CG 4.36Å; L173-L189 HydrophobicContact CD2-CD2 3.96Å; V185-L189 HydrophobicContact CG1-CD1 3.74Å; V185-L189 HydrophobicContact CG1-CG 4.44Å; V185-L189 WeakPolarHBondContact O-CB 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.37Å; V185-L189 PolarHBondContact O-N 3.1Å; L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 PolarHBondContact O-N 2.64Å; L189-Y191 PolarHBondContact O-N 3.42Å; L189-N192 PolarHBondContact O-N 3.35Å; L189-N192 VanDerWaalsContact O-N 3.08Å; L189-M195 HydrophobicContact CD2-CG 3.53Å; L189-M195 HydrophobicContact CD2-SD 3.62Å; L189-L221 HydrophobicContact CD1-CD2 4.26Å; L189-L221 HydrophobicContact CD2-CD2 4.4Å; L189-H224 HydrophobicContact CD1-CB 4.13Å |
| 190 | Q | 94.2 | Very high | 94.6 | Very high | 137 Ų | 137 | 48.5 Ų | 48.5 | 64% | 0.64 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.4 | -24.8 | 173 | -77.4 | 165.6 | 60.6 | 0 | 0 | 113.3 | C186 L187 N192 | C186-Q190 VanDerWaalsContact O-CG 3.31Å; C186-Q190 WeakPolarHBondContact O-CG 3.46Å; C186-Q190 PolarHBondContact O-N 3.05Å; C186-Q190 PolarHBondContact O-NE2 3.24Å; L187-Q190 WeakPolarHBondContact O-CB 3.23Å; L187-Q190 PolarHBondContact O-N 3.25Å; L187-Q190 VanDerWaalsContact O-N 3.14Å; Q190-N192 VanDerWaalsContact C-N 3.31Å |
| 191 | Y | 94.8 | Very high | 94.1 | Very high | 89 Ų | 89 | 48.3 Ų | 48.3 | 35% | 0.349 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 21.8 | 173.3 | -79.2 | -98.6 | 0 | 0 | 0 | 112.6 | L156 E157 L187 L188 L189 S193 | L156-Y191 HydrophobicContact CB-CD1 3.95Å; L156-Y191 HydrophobicContact CB-CD2 4.34Å; L156-Y191 HydrophobicContact CB-CE1 3.81Å; L156-Y191 HydrophobicContact CB-CE2 4.2Å; L156-Y191 HydrophobicContact CB-CG 4.21Å; L156-Y191 HydrophobicContact CD1-CD2 3.73Å; L156-Y191 HydrophobicContact CD1-CE2 4.13Å; L156-Y191 HydrophobicContact CD1-CG 3.95Å; L156-Y191 HydrophobicContact CD2-CD1 4.29Å; L156-Y191 HydrophobicContact CD2-CG 4.18Å; L156-Y191 HydrophobicContact CG-CD1 4.49Å; L156-Y191 HydrophobicContact CG-CG 4.35Å; E157-Y191 WeakPolarHBondContact CG-OH 3.43Å; L187-Y191 HydrophobicContact CD1-CD2 4.13Å; L187-Y191 HydrophobicContact CD1-CE2 3.88Å; L187-Y191 WeakPolarHBondContact O-CD2 3.47Å; L187-Y191 PolarHBondContact O-N 3.41Å; L188-Y191 CarbonylContact O-C 3.58Å; L188-Y191 PolarHBondContact O-N 3.47Å; L188-Y191 VanDerWaalsContact O-N 3.17Å; L189-Y191 PolarHBondContact O-N 3.42Å; Y191-S193 VanDerWaalsContact C-N 3.34Å; Y191-S193 PolarHBondContact O-N 2.84Å |
| 192 | N | 92.9 | Very high | 93.8 | Very high | 146 Ų | 146 | 45.7 Ų | 45.7 | 78% | 0.781 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 38.9 | 179.2 | -60.3 | -17.4 | 0 | 0 | 0 | 114.1 | L188 L189 Q190 | L188-N192 PolarHBondContact O-N 2.81Å; L189-N192 PolarHBondContact O-N 3.35Å; L189-N192 VanDerWaalsContact O-N 3.08Å; Q190-N192 VanDerWaalsContact C-N 3.31Å |
| 193 | S | 94 | Very high | 93.6 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | trans | -55.5 | 130.6 | 169.4 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | L173 L188 Y191 M195 | L173-S193 VanDerWaalsContact CB-OG 3.3Å; L173-S193 WeakPolarHBondContact CB-OG 3.11Å; L188-S193 WeakPolarHBondContact O-CB 3.45Å; L188-S193 PolarHBondContact O-N 2.86Å; Y191-S193 VanDerWaalsContact C-N 3.34Å; Y191-S193 PolarHBondContact O-N 2.84Å; S193-M195 PolarHBondContact O-N 2.94Å | ||
| 194 | P | 93.2 | Very high | 93.6 | Very high | 43 Ų | 43 | 38.1 Ų | 38.1 | 28% | 0.279 | 20% | 0.195 | S | C | . | . | trans | -71.2 | 130 | -178.6 | 31.9 | -36.9 | 0 | 0 | 0 | 110.4 | A163 V197 | A163-P194 HydrophobicContact CB-CG 4Å; P194-V197 HydrophobicContact CB-CG2 3.78Å; P194-V197 HydrophobicContact CG-CG2 3.64Å | ||
| 195 | M | 93.2 | Very high | 93.6 | Very high | 38 Ų | 38 | 38.1 Ų | 38.1 | 19% | 0.187 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -87.8 | -47 | -174.5 | -62.9 | 178.1 | -63.1 | 0 | 0 | 112 | L173 L189 S193 V197 P205 H224 G225 C226 | L173-M195 HydrophobicContact CD2-CG 4.22Å; L189-M195 HydrophobicContact CD2-CG 3.53Å; L189-M195 HydrophobicContact CD2-SD 3.62Å; S193-M195 PolarHBondContact O-N 2.94Å; M195-V197 PolarHBondContact O-N 2.91Å; M195-P205 WeakPolarHBondContact O-CD 3.49Å; M195-H224 HydrophobicContact SD-CB 4.01Å; M195-G225 VanDerWaalsContact CE-C 3.41Å; M195-C226 HydrophobicContact CB-CB 4.1Å; M195-C226 HydrophobicContact CE-CB 4.46Å; M195-C226 HydrophobicContact CG-CB 4.47Å; M195-C226 HydrophobicContact SD-CB 3.87Å |
| 196 | E | 93.3 | Very high | 93.5 | Very high | 79 Ų | 79 | 38.2 Ų | 38.2 | 37% | 0.369 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -81.4 | 27.7 | -179.4 | -49.7 | -48.4 | 128.2 | 0 | 0 | 113.6 | Q198 C226 D227 T230 | E196-Q198 PolarHBondContact O-N 3Å; E196-C226 WeakPolarHBondContact OE1-CA 3.38Å; E196-C226 PolarHBondContact OE1-SG 3.15Å; E196-D227 PolarHBondContact OE1-N 3.03Å; E196-T230 PolarHBondContact OE2-OG1 3.36Å |
| 197 | V | 94 | Very high | 93.5 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 17% | 0.17 | 18% | 0.184 | C | C | . | . | trans | -77.7 | 120.7 | 167.6 | 169.8 | 0 | 0 | 0 | 0 | 107.2 | K165 T171 H174 P194 M195 | K165-V197 VanDerWaalsContact CE-CG1 3.45Å; T171-V197 HydrophobicContact CG2-CB 4.29Å; T171-V197 HydrophobicContact CG2-CG1 3.86Å; T171-V197 HydrophobicContact CG2-CG2 4.49Å; H174-V197 PolarHBondContact CE1-O 3.3Å; H174-V197 PolarHBondContact NE2-O 2.77Å; H174-V197 VanDerWaalsContact NE2-O 3.15Å; P194-V197 HydrophobicContact CB-CG2 3.78Å; P194-V197 HydrophobicContact CG-CG2 3.64Å; M195-V197 PolarHBondContact O-N 2.91Å | ||
| 198 | Q | 93.5 | Very high | 93.5 | Very high | 62 Ų | 62 | 35.9 Ų | 35.9 | 29% | 0.29 | 18% | 0.18 | S | C | . | . | trans | -78.3 | 137.3 | 163.7 | -65.4 | 177.1 | -53.1 | 0 | 0 | 109.5 | K165 E196 G202 H203 T204 H231 | K165-Q198 PolarHBondContact NZ-O 3.15Å; E196-Q198 PolarHBondContact O-N 3Å; Q198-G202 VanDerWaalsContact CG-O 3.26Å; Q198-G202 WeakPolarHBondContact CG-O 3.42Å; Q198-G202 PolarHBondContact NE2-O 3.28Å; Q198-H203 CarbonylContact C-O 3.42Å; Q198-H203 VanDerWaalsContact CA-O 3.29Å; Q198-H203 WeakPolarHBondContact CA-O 3.4Å; Q198-T204 HydrophobicContact CG-CG2 4.09Å; Q198-H231 PolarHBondContact NE2-O 3.28Å | ||
| 199 | N | 91.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.032 | 18% | 0.18 | C | C | . | . | trans | -70.4 | -174.1 | 162 | 75 | -3.1 | 0 | 0 | 0 | 110.4 | N170 H174 T201 G202 H203 | N170-N199 WeakPolarHBondContact OD1-CB 3.41Å; N170-N199 PolarHBondContact OD1-ND2 3.33Å; H174-N199 PolarHBondContact NE2-N 3.31Å; N199-T201 VanDerWaalsContact C-N 3.26Å; N199-T201 PolarHBondContact ND2-OG1 3.14Å; N199-T201 VanDerWaalsContact ND2-OG1 3.17Å; N199-T201 PolarHBondContact O-N 3.3Å; N199-T201 WeakPolarHBondContact OD1-CA 3.32Å; N199-T201 PolarHBondContact OD1-N 3.19Å; N199-T201 PolarHBondContact OD1-OG1 3.19Å; N199-G202 PolarHBondContact O-N 3.37Å; N199-G202 VanDerWaalsContact O-N 3.12Å; N199-G202 PolarHBondContact OD1-N 3.05Å; N199-G202 VanDerWaalsContact OD1-N 3.14Å; N199-H203 PolarHBondContact N-O 3Å; N199-H203 WeakPolarHBondContact OD1-CB 3.32Å; N199-H203 PolarHBondContact OD1-N 2.98Å; N199-H203 PolarHBondContact OD1-O 3.31Å | ||
| 200 | D | 89.6 | Confident | 93.5 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -4 | -177.5 | -57 | -21.7 | 0 | 0 | 0 | 113.4 | T168 G169 V841 A842 | T168-D200 VanDerWaalsContact CA-OD2 3.26Å; T168-D200 WeakPolarHBondContact CA-OD2 3.29Å; T168-D200 PolarHBondContact O-N 3.46Å; G169-D200 VanDerWaalsContact CA-CG 3.5Å; G169-D200 WeakPolarHBondContact CA-OD1 3.49Å; G169-D200 PolarHBondContact N-OD1 3.4Å; G169-D200 PolarHBondContact N-OD2 3.29Å; D200-V841 VanDerWaalsContact O-CA 3.25Å; D200-V841 WeakPolarHBondContact O-CA 3.32Å; D200-V841 WeakPolarHBondContact O-CB 3.4Å; D200-V841 WeakPolarHBondContact O-CG1 3.42Å; D200-V841 VanDerWaalsContact O-CG2 3.26Å; D200-V841 WeakPolarHBondContact O-CG2 3.35Å; D200-A842 CarbonylContact C-O 3.29Å; D200-A842 HydrophobicContact CB-CB 3.77Å; D200-A842 WeakPolarHBondContact CB-O 3.28Å; D200-A842 PolarHBondContact O-N 3.1Å |
| 201 | T | 85.3 | Confident | 93.4 | Very high | 20 Ų | 20 | 29.7 Ų | 29.7 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 10.6 | 164.4 | 68.5 | 0 | 0 | 0 | 0 | 112.4 | N199 H203 V841 A842 | N199-T201 VanDerWaalsContact C-N 3.26Å; N199-T201 PolarHBondContact ND2-OG1 3.14Å; N199-T201 VanDerWaalsContact ND2-OG1 3.17Å; N199-T201 PolarHBondContact O-N 3.3Å; N199-T201 WeakPolarHBondContact OD1-CA 3.32Å; N199-T201 PolarHBondContact OD1-N 3.19Å; N199-T201 PolarHBondContact OD1-OG1 3.19Å; T201-H203 PolarHBondContact O-N 3.23Å; T201-H203 PolarHBondContact OG1-ND1 3.27Å; T201-V841 HydrophobicContact CG2-CG1 3.94Å; T201-A842 WeakPolarHBondContact CG2-O 3.48Å; T201-A842 PolarHBondContact N-O 3.37Å; T201-A842 VanDerWaalsContact N-O 3.16Å |
| 202 | G | 89.8 | Confident | 93.4 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 75.3 | -2.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q198 N199 S232 | Q198-G202 VanDerWaalsContact CG-O 3.26Å; Q198-G202 WeakPolarHBondContact CG-O 3.42Å; Q198-G202 PolarHBondContact NE2-O 3.28Å; N199-G202 PolarHBondContact O-N 3.37Å; N199-G202 VanDerWaalsContact O-N 3.12Å; N199-G202 PolarHBondContact OD1-N 3.05Å; N199-G202 VanDerWaalsContact OD1-N 3.14Å; G202-S232 WeakPolarHBondContact O-CA 3.42Å |
| 203 | H | 93.7 | Very high | 93.5 | Very high | 18 Ų | 18 | 22.9 Ų | 22.9 | 8% | 0.083 | 13% | 0.128 | C | C | . | . | trans | -74.6 | 138 | 179.8 | -66.7 | 173.4 | 0 | 0 | 0 | 112.2 | H174 Q198 N199 T201 M207 E208 | H174-H203 PolarHBondContact NE2-O 3.5Å; Q198-H203 CarbonylContact C-O 3.42Å; Q198-H203 VanDerWaalsContact CA-O 3.29Å; Q198-H203 WeakPolarHBondContact CA-O 3.4Å; N199-H203 PolarHBondContact N-O 3Å; N199-H203 WeakPolarHBondContact OD1-CB 3.32Å; N199-H203 PolarHBondContact OD1-N 2.98Å; N199-H203 PolarHBondContact OD1-O 3.31Å; T201-H203 PolarHBondContact O-N 3.23Å; T201-H203 PolarHBondContact OG1-ND1 3.27Å; H203-M207 VanDerWaalsContact CA-SD 3.59Å; H203-M207 HydrophobicContact CB-CB 4.03Å; H203-M207 HydrophobicContact CB-SD 4.42Å; H203-E208 HydrophobicContact CB-CG 4.15Å; H203-E208 IonicContact CE1-OE1 3.73Å; H203-E208 IonicContact CG-OE1 3.3Å; H203-E208 IonicContact ND1-OE1 3.3Å; H203-E208 PolarHBondContact ND1-OE1 2.69Å | ||
| 204 | T | 95 | Very high | 93.6 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | trans | -86.9 | 166.8 | 163.3 | 69.5 | 0 | 0 | 0 | 0 | 111 | Q198 L206 M207 E208 T230 | Q198-T204 HydrophobicContact CG-CG2 4.09Å; T204-L206 PolarHBondContact O-N 3.08Å; T204-L206 VanDerWaalsContact O-N 3.13Å; T204-L206 PolarHBondContact OG1-N 2.8Å; T204-M207 HydrophobicContact CG2-CE 4.15Å; T204-M207 HydrophobicContact CG2-SD 4.18Å; T204-M207 PolarHBondContact N-SD 2.94Å; T204-M207 WeakPolarHBondContact O-CB 3.36Å; T204-M207 PolarHBondContact O-N 2.9Å; T204-M207 PolarHBondContact OG1-N 3.24Å; T204-E208 PolarHBondContact O-N 3.09Å; T204-T230 HydrophobicContact CG2-CG2 3.75Å | ||
| 205 | P | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.8 | -25.9 | 169.4 | -24.4 | 35.2 | 0 | 0 | 0 | 113.8 | L173 A177 M195 A209 L221 | L173-P205 HydrophobicContact CB-CG 4.36Å; L173-P205 HydrophobicContact CD2-CB 4.34Å; L173-P205 HydrophobicContact CD2-CG 4.05Å; L173-P205 HydrophobicContact CG-CB 3.97Å; L173-P205 HydrophobicContact CG-CG 3.93Å; A177-P205 HydrophobicContact CB-CB 3.9Å; A177-P205 WeakPolarHBondContact CB-O 3.14Å; M195-P205 WeakPolarHBondContact O-CD 3.49Å; P205-A209 WeakPolarHBondContact O-CB 3.32Å; P205-A209 PolarHBondContact O-N 2.87Å; P205-L221 HydrophobicContact CB-CD1 4.22Å; P205-L221 HydrophobicContact CB-CD2 4.42Å |
| 206 | L | 96.8 | Very high | 94 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.5 | -43.5 | 173.8 | 179.7 | 60.6 | 0 | 0 | 0 | 110.9 | T204 A209 T210 A218 L221 I222 D227 A239 | T204-L206 PolarHBondContact O-N 3.08Å; T204-L206 VanDerWaalsContact O-N 3.13Å; T204-L206 PolarHBondContact OG1-N 2.8Å; L206-A209 PolarHBondContact O-N 2.65Å; L206-T210 WeakPolarHBondContact O-CB 3.44Å; L206-T210 PolarHBondContact O-N 3.46Å; L206-T210 PolarHBondContact O-OG1 2.86Å; L206-A218 HydrophobicContact CD1-CB 3.61Å; L206-L221 HydrophobicContact CB-CD1 4.17Å; L206-L221 HydrophobicContact CD1-CB 4.47Å; L206-L221 HydrophobicContact CD1-CD1 4.34Å; L206-I222 HydrophobicContact CD1-CD1 4.09Å; L206-I222 HydrophobicContact CD1-CG1 4.16Å; L206-I222 HydrophobicContact CD2-CD1 4.3Å; L206-I222 HydrophobicContact CD2-CG1 4.01Å; L206-D227 WeakPolarHBondContact CD2-O 3.36Å; L206-A239 HydrophobicContact CD2-CB 4.49Å; L206-A239 HydrophobicContact CG-CB 4.36Å |
| 207 | M | 95.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 174.8 | -66.7 | 160.9 | -171.5 | 0 | 0 | 111.4 | H203 T204 T210 S211 T230 H231 L242 | H203-M207 VanDerWaalsContact CA-SD 3.59Å; H203-M207 HydrophobicContact CB-CB 4.03Å; H203-M207 HydrophobicContact CB-SD 4.42Å; T204-M207 HydrophobicContact CG2-CE 4.15Å; T204-M207 HydrophobicContact CG2-SD 4.18Å; T204-M207 PolarHBondContact N-SD 2.94Å; T204-M207 WeakPolarHBondContact O-CB 3.36Å; T204-M207 PolarHBondContact O-N 2.9Å; T204-M207 PolarHBondContact OG1-N 3.24Å; M207-T210 CarbonylContact O-C 3.6Å; M207-T210 WeakPolarHBondContact O-CA 3.32Å; M207-T210 WeakPolarHBondContact O-CB 3.27Å; M207-T210 PolarHBondContact O-N 2.77Å; M207-S211 WeakPolarHBondContact O-CB 3.36Å; M207-S211 PolarHBondContact O-N 2.74Å; M207-T230 HydrophobicContact CE-CG2 4.02Å; M207-T230 WeakPolarHBondContact CE-O 3.06Å; M207-H231 VanDerWaalsContact CE-CA 3.45Å; M207-L242 HydrophobicContact CB-CD1 3.7Å; M207-L242 HydrophobicContact CG-CD1 3.92Å |
| 208 | E | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.019 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 175.4 | -79.3 | -65.8 | 132.4 | 0 | 0 | 112.8 | T178 H203 T204 T210 N212 S845 | T178-E208 WeakPolarHBondContact CB-OE2 3.12Å; T178-E208 VanDerWaalsContact CG2-OE2 3.23Å; T178-E208 WeakPolarHBondContact CG2-OE2 2.97Å; T178-E208 PolarHBondContact OG1-OE2 2.78Å; H203-E208 HydrophobicContact CB-CG 4.15Å; H203-E208 IonicContact CE1-OE1 3.73Å; H203-E208 IonicContact CG-OE1 3.3Å; H203-E208 IonicContact ND1-OE1 3.3Å; H203-E208 PolarHBondContact ND1-OE1 2.69Å; T204-E208 PolarHBondContact O-N 3.09Å; E208-T210 PolarHBondContact O-N 2.89Å; E208-N212 PolarHBondContact O-N 3.36Å; E208-N212 PolarHBondContact O-ND2 3.29Å; E208-S845 PolarHBondContact OE1-OG 2.75Å; E208-S845 VanDerWaalsContact OE1-OG 3.14Å |
| 209 | A | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.6 | -26.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A177 P205 L206 G213 H214 V217 L221 | A177-A209 HydrophobicContact CB-CB 4.23Å; P205-A209 WeakPolarHBondContact O-CB 3.32Å; P205-A209 PolarHBondContact O-N 2.87Å; L206-A209 PolarHBondContact O-N 2.65Å; A209-G213 PolarHBondContact O-N 2.94Å; A209-H214 HydrophobicContact CB-CB 4.37Å; A209-H214 PolarHBondContact O-N 2.68Å; A209-V217 HydrophobicContact CB-CB 4.13Å; A209-V217 HydrophobicContact CB-CG1 3.6Å; A209-L221 HydrophobicContact CB-CD1 4.45Å |
| 210 | T | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -82.5 | -46.2 | -175.3 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | L206 M207 E208 N212 G213 A239 A243 H248 M251 L255 | L206-T210 WeakPolarHBondContact O-CB 3.44Å; L206-T210 PolarHBondContact O-N 3.46Å; L206-T210 PolarHBondContact O-OG1 2.86Å; M207-T210 CarbonylContact O-C 3.6Å; M207-T210 WeakPolarHBondContact O-CA 3.32Å; M207-T210 WeakPolarHBondContact O-CB 3.27Å; M207-T210 PolarHBondContact O-N 2.77Å; E208-T210 PolarHBondContact O-N 2.89Å; T210-N212 PolarHBondContact O-N 3.29Å; T210-G213 PolarHBondContact O-N 2.97Å; T210-A239 HydrophobicContact CG2-CB 4.07Å; T210-A239 WeakPolarHBondContact CG2-O 3.29Å; T210-A243 HydrophobicContact CG2-CB 3.64Å; T210-H248 PolarHBondContact O-CD2 2.71Å; T210-M251 HydrophobicContact CG2-CG 3.83Å; T210-M251 HydrophobicContact CG2-SD 4.43Å; T210-L255 HydrophobicContact CG2-CD1 3.83Å |
| 211 | S | 92.7 | Very high | 95 | Very high | 23 Ų | 23 | 22.4 Ų | 22.4 | 16% | 0.161 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.6 | -30.9 | 172.7 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | M207 H248 | M207-S211 WeakPolarHBondContact O-CB 3.36Å; M207-S211 PolarHBondContact O-N 2.74Å; S211-H248 PolarHBondContact O-CD2 2.87Å; S211-H248 PolarHBondContact O-NE2 2.84Å |
| 212 | N | 93.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 23.4 Ų | 23.4 | 38% | 0.38 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 3.9 | 174.3 | -67.3 | -80.5 | 0 | 0 | 0 | 114.4 | E208 T210 H214 | E208-N212 PolarHBondContact O-N 3.36Å; E208-N212 PolarHBondContact O-ND2 3.29Å; T210-N212 PolarHBondContact O-N 3.29Å; N212-H214 VanDerWaalsContact C-N 3.31Å; N212-H214 PolarHBondContact O-CE1 3.49Å; N212-H214 PolarHBondContact O-N 2.76Å; N212-H214 PolarHBondContact O-ND1 2.84Å |
| 213 | G | 94.7 | Very high | 95.7 | Very high | 21 Ų | 21 | 31.7 Ų | 31.7 | 22% | 0.216 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 17.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | A209 T210 V215 | A209-G213 PolarHBondContact O-N 2.94Å; T210-G213 PolarHBondContact O-N 2.97Å; G213-V215 VanDerWaalsContact C-N 3.34Å; G213-V215 PolarHBondContact O-N 3.42Å |
| 214 | H | 96.8 | Very high | 95.7 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 30% | 0.296 | 17% | 0.174 | S | C | . | . | trans | -80.2 | 69.9 | -175.1 | -65 | -27.8 | 0 | 0 | 0 | 113.6 | A177 T178 G180 A209 N212 D216 V217 A218 M251 | A177-H214 PolarHBondContact O-CD2 3.2Å; T178-H214 PolarHBondContact O-CD2 3.35Å; T178-H214 PolarHBondContact O-NE2 2.93Å; G180-H214 WeakPolarHBondContact CA-CD2 2.92Å; G180-H214 PolarHBondContact N-CD2 2.84Å; G180-H214 VanDerWaalsContact N-CD2 3.3Å; A209-H214 HydrophobicContact CB-CB 4.37Å; A209-H214 PolarHBondContact O-N 2.68Å; N212-H214 VanDerWaalsContact C-N 3.31Å; N212-H214 PolarHBondContact O-CE1 3.49Å; N212-H214 PolarHBondContact O-N 2.76Å; N212-H214 PolarHBondContact O-ND1 2.84Å; H214-D216 VanDerWaalsContact C-N 3.3Å; H214-D216 PolarHBondContact O-N 3.44Å; H214-D216 VanDerWaalsContact O-N 3.14Å; H214-V217 HydrophobicContact CB-CB 4.18Å; H214-V217 HydrophobicContact CB-CG2 4.41Å; H214-V217 WeakPolarHBondContact O-CB 3.41Å; H214-V217 PolarHBondContact O-N 3.08Å; H214-A218 PolarHBondContact O-N 3.48Å; H214-A218 VanDerWaalsContact O-N 3.08Å; H214-M251 VanDerWaalsContact C-CE 3.41Å | ||
| 215 | V | 96.7 | Very high | 95.6 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -52.3 | -40.5 | -170.5 | -171.4 | 0 | 0 | 0 | 0 | 113.8 | G213 A218 R219 M251 F254 | G213-V215 VanDerWaalsContact C-N 3.34Å; G213-V215 PolarHBondContact O-N 3.42Å; V215-A218 PolarHBondContact O-N 3.17Å; V215-R219 VanDerWaalsContact O-CB 3.29Å; V215-R219 WeakPolarHBondContact O-CB 3.26Å; V215-R219 PolarHBondContact O-N 3.24Å; V215-M251 VanDerWaalsContact CA-CE 3.44Å; V215-M251 HydrophobicContact CB-CE 4.22Å; V215-M251 HydrophobicContact CG2-CB 4.27Å; V215-M251 HydrophobicContact CG2-CE 3.89Å; V215-M251 HydrophobicContact CG2-SD 4.28Å; V215-M251 VanDerWaalsContact N-CE 3.27Å; V215-F254 HydrophobicContact CG1-CB 3.74Å; V215-F254 HydrophobicContact CG1-CD1 3.76Å; V215-F254 HydrophobicContact CG1-CG 3.72Å |
| 216 | D | 96.9 | Very high | 95.5 | Very high | 91 Ų | 91 | 38.1 Ų | 38.1 | 49% | 0.487 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -77.1 | -22.7 | -178.6 | -71.7 | -37.1 | 0 | 0 | 0 | 113.8 | L182 H214 R219 C220 | L182-D216 HydrophobicContact CD2-CB 4.4Å; H214-D216 VanDerWaalsContact C-N 3.3Å; H214-D216 PolarHBondContact O-N 3.44Å; H214-D216 VanDerWaalsContact O-N 3.14Å; D216-R219 IonicContact OD1-CZ 2.68Å; D216-R219 VanDerWaalsContact OD1-CZ 3.23Å; D216-R219 IonicContact OD1-NE 3.62Å; D216-R219 PolarHBondContact OD1-NE 3.25Å; D216-R219 IonicContact OD1-NH2 2.69Å; D216-R219 PolarHBondContact OD1-NH2 3.02Å; D216-C220 WeakPolarHBondContact O-CB 3.48Å; D216-C220 PolarHBondContact O-N 2.98Å |
| 217 | V | 97.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -72 | -47.6 | 167.5 | 168.5 | 0 | 0 | 0 | 0 | 110.3 | A177 L182 V185 A209 H214 R219 C220 L221 | A177-V217 HydrophobicContact CB-CG1 4.02Å; L182-V217 HydrophobicContact CB-CG2 4.35Å; V185-V217 HydrophobicContact CG1-CG1 4.39Å; V185-V217 HydrophobicContact CG2-CG1 4Å; V185-V217 HydrophobicContact CG2-CG2 4.38Å; A209-V217 HydrophobicContact CB-CB 4.13Å; A209-V217 HydrophobicContact CB-CG1 3.6Å; H214-V217 HydrophobicContact CB-CB 4.18Å; H214-V217 HydrophobicContact CB-CG2 4.41Å; H214-V217 WeakPolarHBondContact O-CB 3.41Å; H214-V217 PolarHBondContact O-N 3.08Å; V217-R219 VanDerWaalsContact C-N 3.28Å; V217-R219 PolarHBondContact O-N 3.13Å; V217-C220 WeakPolarHBondContact O-CA 3.35Å; V217-C220 VanDerWaalsContact O-CB 3.29Å; V217-C220 WeakPolarHBondContact O-CB 3.33Å; V217-C220 PolarHBondContact O-N 2.9Å; V217-L221 HydrophobicContact CG1-CD1 3.95Å; V217-L221 HydrophobicContact CG1-CG 4.42Å; V217-L221 WeakPolarHBondContact O-CG 3.3Å; V217-L221 PolarHBondContact O-N 2.89Å |
| 218 | A | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.5 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L206 H214 V215 C220 L221 I222 M251 F254 | L206-A218 HydrophobicContact CD1-CB 3.61Å; H214-A218 PolarHBondContact O-N 3.48Å; H214-A218 VanDerWaalsContact O-N 3.08Å; V215-A218 PolarHBondContact O-N 3.17Å; A218-C220 VanDerWaalsContact C-N 3.28Å; A218-C220 PolarHBondContact O-N 3.07Å; A218-L221 PolarHBondContact O-N 3.26Å; A218-I222 WeakPolarHBondContact O-CG1 3.2Å; A218-I222 PolarHBondContact O-N 3.08Å; A218-M251 HydrophobicContact CB-CE 4.06Å; A218-M251 HydrophobicContact CB-SD 3.91Å; A218-F254 HydrophobicContact CB-CD1 4.39Å; A218-F254 HydrophobicContact CB-CE1 3.9Å |
| 219 | R | 96.9 | Very high | 95.3 | Very high | 108 Ų | 108 | 45.8 Ų | 45.8 | 41% | 0.408 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.4 | -35.6 | 172.3 | -166.1 | -166.5 | -44.1 | -62.1 | 1 | 113.1 | V215 D216 V217 K223 F254 | V215-R219 VanDerWaalsContact O-CB 3.29Å; V215-R219 WeakPolarHBondContact O-CB 3.26Å; V215-R219 PolarHBondContact O-N 3.24Å; D216-R219 IonicContact OD1-CZ 2.68Å; D216-R219 VanDerWaalsContact OD1-CZ 3.23Å; D216-R219 IonicContact OD1-NE 3.62Å; D216-R219 PolarHBondContact OD1-NE 3.25Å; D216-R219 IonicContact OD1-NH2 2.69Å; D216-R219 PolarHBondContact OD1-NH2 3.02Å; V217-R219 VanDerWaalsContact C-N 3.28Å; V217-R219 PolarHBondContact O-N 3.13Å; R219-K223 WeakPolarHBondContact O-CB 3.35Å; R219-K223 PolarHBondContact O-N 2.98Å; R219-F254 HydrophobicContact CB-CE1 4.25Å; R219-F254 HydrophobicContact CB-CE2 4.33Å; R219-F254 HydrophobicContact CB-CZ 3.84Å; R219-F254 HydrophobicContact CG-CE2 4.2Å; R219-F254 HydrophobicContact CG-CZ 4.11Å; R219-F254 VanDerWaalsContact NH1-CD2 3.28Å; R219-F254 VanDerWaalsContact NH1-CE2 3.33Å |
| 220 | C | 96.4 | Very high | 95.2 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.2 | -47.7 | 176.1 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | L182 V185 C186 D216 V217 A218 K223 H224 | L182-C220 HydrophobicContact CD1-CB 3.6Å; V185-C220 HydrophobicContact CG1-CB 4.31Å; C186-C220 PolarHBondContact SG-SG 3.43Å; D216-C220 WeakPolarHBondContact O-CB 3.48Å; D216-C220 PolarHBondContact O-N 2.98Å; V217-C220 WeakPolarHBondContact O-CA 3.35Å; V217-C220 VanDerWaalsContact O-CB 3.29Å; V217-C220 WeakPolarHBondContact O-CB 3.33Å; V217-C220 PolarHBondContact O-N 2.9Å; A218-C220 VanDerWaalsContact C-N 3.28Å; A218-C220 PolarHBondContact O-N 3.07Å; C220-K223 PolarHBondContact O-N 2.88Å; C220-H224 PolarHBondContact O-N 3.34Å; C220-H224 PolarHBondContact O-ND1 2.81Å; C220-H224 VanDerWaalsContact SG-CE1 3.57Å |
| 221 | L | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -54.7 | 179.8 | -69.6 | 165.8 | 0 | 0 | 0 | 111.4 | L173 V185 L189 P205 L206 A209 V217 A218 K223 H224 G225 C226 | L173-L221 HydrophobicContact CD1-CD2 4.22Å; L173-L221 HydrophobicContact CD2-CD2 4.13Å; L173-L221 HydrophobicContact CG-CD2 4.39Å; V185-L221 HydrophobicContact CG1-CD2 4.24Å; V185-L221 HydrophobicContact CG1-CG 4.4Å; L189-L221 HydrophobicContact CD1-CD2 4.26Å; L189-L221 HydrophobicContact CD2-CD2 4.4Å; P205-L221 HydrophobicContact CB-CD1 4.22Å; P205-L221 HydrophobicContact CB-CD2 4.42Å; L206-L221 HydrophobicContact CB-CD1 4.17Å; L206-L221 HydrophobicContact CD1-CB 4.47Å; L206-L221 HydrophobicContact CD1-CD1 4.34Å; A209-L221 HydrophobicContact CB-CD1 4.45Å; V217-L221 HydrophobicContact CG1-CD1 3.95Å; V217-L221 HydrophobicContact CG1-CG 4.42Å; V217-L221 WeakPolarHBondContact O-CG 3.3Å; V217-L221 PolarHBondContact O-N 2.89Å; A218-L221 PolarHBondContact O-N 3.26Å; L221-K223 VanDerWaalsContact C-N 3.27Å; L221-K223 PolarHBondContact O-N 3.07Å; L221-H224 PolarHBondContact O-N 3.46Å; L221-G225 PolarHBondContact O-N 3.04Å; L221-C226 VanDerWaalsContact C-CB 3.49Å; L221-C226 HydrophobicContact CB-CB 3.92Å; L221-C226 VanDerWaalsContact O-CB 3.29Å; L221-C226 WeakPolarHBondContact O-CB 3.45Å; L221-C226 PolarHBondContact O-N 2.9Å; L221-C226 VanDerWaalsContact O-N 3.15Å |
| 222 | I | 95.3 | Very high | 95 | Very high | 40 Ų | 40 | 50 Ų | 50 | 21% | 0.205 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 179.3 | -67 | 161 | 0 | 0 | 0 | 110.9 | L206 A218 H224 G225 I228 F254 L255 | L206-I222 HydrophobicContact CD1-CD1 4.09Å; L206-I222 HydrophobicContact CD1-CG1 4.16Å; L206-I222 HydrophobicContact CD2-CD1 4.3Å; L206-I222 HydrophobicContact CD2-CG1 4.01Å; A218-I222 WeakPolarHBondContact O-CG1 3.2Å; A218-I222 PolarHBondContact O-N 3.08Å; I222-H224 VanDerWaalsContact C-N 3.26Å; I222-H224 PolarHBondContact O-N 3.14Å; I222-G225 PolarHBondContact O-N 3.21Å; I222-I228 HydrophobicContact CD1-CD1 3.86Å; I222-I228 HydrophobicContact CD1-CG1 4.06Å; I222-F254 HydrophobicContact CD1-CE1 3.82Å; I222-F254 HydrophobicContact CD1-CZ 3.9Å; I222-L255 HydrophobicContact CD1-CD2 4.24Å |
| 223 | K | 94.6 | Very high | 94.6 | Very high | 177 Ų | 177 | 49.9 Ų | 49.9 | 77% | 0.77 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.5 | -26.6 | 177.5 | -179.4 | -176.8 | 171.8 | -163.8 | 0 | 113.7 | R219 C220 L221 G225 | R219-K223 WeakPolarHBondContact O-CB 3.35Å; R219-K223 PolarHBondContact O-N 2.98Å; C220-K223 PolarHBondContact O-N 2.88Å; L221-K223 VanDerWaalsContact C-N 3.27Å; L221-K223 PolarHBondContact O-N 3.07Å; K223-G225 VanDerWaalsContact C-N 3.34Å |
| 224 | H | 94.3 | Very high | 93.8 | Very high | 91 Ų | 91 | 52.8 Ų | 52.8 | 42% | 0.421 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -88.4 | -2 | 175.1 | -70 | 90.7 | 0 | 0 | 0 | 113.3 | L189 M195 C220 L221 I222 | L189-H224 HydrophobicContact CD1-CB 4.13Å; M195-H224 HydrophobicContact SD-CB 4.01Å; C220-H224 PolarHBondContact O-N 3.34Å; C220-H224 PolarHBondContact O-ND1 2.81Å; C220-H224 VanDerWaalsContact SG-CE1 3.57Å; L221-H224 PolarHBondContact O-N 3.46Å; I222-H224 VanDerWaalsContact C-N 3.26Å; I222-H224 PolarHBondContact O-N 3.14Å |
| 225 | G | 92.4 | Very high | 93.3 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.9 | 23.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | M195 L221 I222 K223 | M195-G225 VanDerWaalsContact CE-C 3.41Å; L221-G225 PolarHBondContact O-N 3.04Å; I222-G225 PolarHBondContact O-N 3.21Å; K223-G225 VanDerWaalsContact C-N 3.34Å |
| 226 | C | 93.2 | Very high | 93 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | trans | -66.6 | 136 | 163.1 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | M195 E196 L221 | M195-C226 HydrophobicContact CB-CB 4.1Å; M195-C226 HydrophobicContact CE-CB 4.46Å; M195-C226 HydrophobicContact CG-CB 4.47Å; M195-C226 HydrophobicContact SD-CB 3.87Å; E196-C226 WeakPolarHBondContact OE1-CA 3.38Å; E196-C226 PolarHBondContact OE1-SG 3.15Å; L221-C226 VanDerWaalsContact C-CB 3.49Å; L221-C226 HydrophobicContact CB-CB 3.92Å; L221-C226 VanDerWaalsContact O-CB 3.29Å; L221-C226 WeakPolarHBondContact O-CB 3.45Å; L221-C226 PolarHBondContact O-N 2.9Å; L221-C226 VanDerWaalsContact O-N 3.15Å | ||
| 227 | D | 94.4 | Very high | 92.8 | Very high | 89 Ų | 89 | 54 Ų | 54 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | trans | -78.2 | 132.1 | 179.5 | -161.5 | -30.2 | 0 | 0 | 0 | 110.2 | E196 L206 N229 | E196-D227 PolarHBondContact OE1-N 3.03Å; L206-D227 WeakPolarHBondContact CD2-O 3.36Å; D227-N229 VanDerWaalsContact C-N 3.33Å; D227-N229 PolarHBondContact OD1-N 3.07Å | ||
| 228 | I | 95 | Very high | 92.7 | Very high | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -20.8 | -177.5 | -164.4 | 169.4 | 0 | 0 | 0 | 112.4 | I222 L255 A258 A260 | I222-I228 HydrophobicContact CD1-CD1 3.86Å; I222-I228 HydrophobicContact CD1-CG1 4.06Å; I228-L255 HydrophobicContact CD1-CD2 3.94Å; I228-L255 HydrophobicContact CG1-CD2 3.96Å; I228-A258 HydrophobicContact CD1-CB 3.52Å; I228-A260 HydrophobicContact CD1-CB 3.82Å; I228-A260 HydrophobicContact CG1-CB 3.92Å |
| 229 | N | 94.5 | Very high | 92.6 | Very high | 63 Ų | 63 | 54 Ų | 54 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 11.9 | -175.9 | -62.9 | -39.4 | 0 | 0 | 0 | 113.3 | D227 A260 D261 | D227-N229 VanDerWaalsContact C-N 3.33Å; D227-N229 PolarHBondContact OD1-N 3.07Å; N229-A260 WeakPolarHBondContact OD1-CA 3.14Å; N229-D261 PolarHBondContact OD1-N 3.43Å |
| 230 | T | 93.1 | Very high | 92.6 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 22% | 0.221 | 26% | 0.26 | C | S | . | . | trans | -57.8 | 138.4 | 161.1 | -59.2 | 0 | 0 | 0 | 0 | 108.8 | E196 T204 M207 | E196-T230 PolarHBondContact OE2-OG1 3.36Å; T204-T230 HydrophobicContact CG2-CG2 3.75Å; M207-T230 HydrophobicContact CE-CG2 4.02Å; M207-T230 WeakPolarHBondContact CE-O 3.06Å | ||
| 231 | H | 92.5 | Very high | 92.6 | Very high | 76 Ų | 76 | 48.5 Ų | 48.5 | 35% | 0.352 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -119 | 161.1 | 178.3 | 62.7 | 66.8 | 0 | 0 | 0 | 111.9 | Q198 M207 K236 E237 H264 | Q198-H231 PolarHBondContact NE2-O 3.28Å; M207-H231 VanDerWaalsContact CE-CA 3.45Å; H231-K236 HydrophobicContact CB-CB 4.41Å; H231-E237 CarbonylContact C-O 3.37Å; H231-E237 WeakPolarHBondContact CA-O 3.34Å; H231-H264 AromaticContact CD2-CE1 4Å |
| 232 | S | 92 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -64.6 | 161.1 | 178.7 | 75.1 | 0 | 0 | 0 | 0 | 111.9 | G202 K236 E237 | G202-S232 WeakPolarHBondContact O-CA 3.42Å; S232-K236 WeakPolarHBondContact O-CA 3.38Å; S232-K236 PolarHBondContact O-N 3.22Å; S232-K236 PolarHBondContact OG-N 3.33Å; S232-E237 WeakPolarHBondContact CB-OE2 3.39Å; S232-E237 PolarHBondContact N-O 2.93Å; S232-E237 PolarHBondContact OG-N 2.99Å; S232-E237 PolarHBondContact OG-OE2 3.45Å | ||
| 233 | A | 85.7 | Confident | 92.5 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 55% | 0.554 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -87.9 | -24.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 234 | E | 79.4 | Confident | 92.6 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 39% | 0.388 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -95 | -45.1 | -177.7 | -173.6 | 168.5 | -127.8 | 0 | 0 | 112.5 | V841 | E234-V841 HydrophobicContact CB-CG2 3.59Å; E234-V841 HydrophobicContact CG-CG2 3.89Å; E234-V841 WeakPolarHBondContact OE1-CB 3.45Å; E234-V841 WeakPolarHBondContact OE1-CG2 3.44Å; E234-V841 VanDerWaalsContact OE2-CB 3.26Å; E234-V841 WeakPolarHBondContact OE2-CB 3.42Å; E234-V841 WeakPolarHBondContact OE2-CG1 3.34Å; E234-V841 WeakPolarHBondContact OE2-CG2 3.49Å |
| 235 | F | 84.9 | Confident | 92.6 | Very high | 94 Ų | 94 | 37.2 Ų | 37.2 | 41% | 0.412 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -116.8 | -0.1 | -174.8 | -52.3 | -68.8 | 0 | 0 | 0 | 114.2 | E237 T266 D267 | F235-E237 VanDerWaalsContact C-N 3.27Å; F235-E237 HydrophobicContact CB-CG 3.96Å; F235-E237 PolarHBondContact O-N 3.3Å; F235-T266 CarbonylContact O-C 3.48Å; F235-T266 WeakPolarHBondContact O-CA 3.48Å; F235-T266 VanDerWaalsContact O-CB 3.31Å; F235-T266 WeakPolarHBondContact O-CB 3.26Å; F235-D267 PolarHBondContact O-N 3.4Å |
| 236 | K | 91.4 | Very high | 92.6 | Very high | 81 Ų | 81 | 38.1 Ų | 38.1 | 35% | 0.352 | 19% | 0.192 | S | C | . | . | trans | 50.6 | 41.4 | -171.8 | -63.8 | 171.2 | -168.9 | 138.1 | 0 | 113.7 | H231 S232 H264 D267 | H231-K236 HydrophobicContact CB-CB 4.41Å; S232-K236 WeakPolarHBondContact O-CA 3.38Å; S232-K236 PolarHBondContact O-N 3.22Å; S232-K236 PolarHBondContact OG-N 3.33Å; K236-H264 PolarHBondContact O-NE2 3.32Å; K236-D267 WeakPolarHBondContact CD-OD2 3.26Å; K236-D267 WeakPolarHBondContact CE-OD2 3.32Å; K236-D267 WeakPolarHBondContact CG-OD2 3.45Å; K236-D267 IonicContact NZ-OD1 2.71Å; K236-D267 PolarHBondContact NZ-OD1 2.8Å; K236-D267 IonicContact NZ-OD2 2.81Å; K236-D267 PolarHBondContact NZ-OD2 3.25Å | ||
| 237 | E | 92.1 | Very high | 92.7 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | trans | -76 | 132.6 | 173.4 | -57.8 | 144 | 102.4 | 0 | 0 | 110.5 | H231 S232 F235 T241 L242 T266 | H231-E237 CarbonylContact C-O 3.37Å; H231-E237 WeakPolarHBondContact CA-O 3.34Å; S232-E237 WeakPolarHBondContact CB-OE2 3.39Å; S232-E237 PolarHBondContact N-O 2.93Å; S232-E237 PolarHBondContact OG-N 2.99Å; S232-E237 PolarHBondContact OG-OE2 3.45Å; F235-E237 VanDerWaalsContact C-N 3.27Å; F235-E237 HydrophobicContact CB-CG 3.96Å; F235-E237 PolarHBondContact O-N 3.3Å; E237-T241 WeakPolarHBondContact CA-OG1 3.45Å; E237-T241 WeakPolarHBondContact CB-OG1 3.35Å; E237-L242 HydrophobicContact CB-CD1 4.35Å; E237-L242 HydrophobicContact CB-CG 4.01Å; E237-L242 VanDerWaalsContact OE1-CD2 3.29Å; E237-L242 WeakPolarHBondContact OE1-CD2 3.14Å; E237-T266 HydrophobicContact CG-CG2 4.27Å | ||
| 238 | S | 94.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -85.7 | 169.1 | 168.6 | 76.9 | 0 | 0 | 0 | 0 | 110.5 | L240 T241 L242 | S238-L240 PolarHBondContact O-N 3.02Å; S238-L240 PolarHBondContact OG-N 2.81Å; S238-L240 VanDerWaalsContact OG-N 3.15Å; S238-T241 PolarHBondContact N-OG1 3.13Å; S238-T241 PolarHBondContact O-N 2.95Å; S238-T241 PolarHBondContact O-OG1 3.02Å; S238-T241 VanDerWaalsContact O-OG1 3.1Å; S238-T241 PolarHBondContact OG-N 3.01Å; S238-L242 PolarHBondContact O-N 3.33Å; S238-L242 VanDerWaalsContact O-N 3.14Å |
| 239 | A | 95.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -52.8 | -37.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L206 T210 A243 L255 | L206-A239 HydrophobicContact CD2-CB 4.49Å; L206-A239 HydrophobicContact CG-CB 4.36Å; T210-A239 HydrophobicContact CG2-CB 4.07Å; T210-A239 WeakPolarHBondContact CG2-O 3.29Å; A239-A243 VanDerWaalsContact O-CB 3.27Å; A239-A243 WeakPolarHBondContact O-CB 3.45Å; A239-A243 PolarHBondContact O-N 3.33Å; A239-L255 HydrophobicContact CB-CD1 4.1Å; A239-L255 HydrophobicContact CB-CD2 4.24Å |
| 240 | L | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.4 | -35.6 | -178.2 | -172.9 | 62.1 | 0 | 0 | 0 | 113.2 | S238 S244 V252 L255 L256 A260 H262 A272 L288 | S238-L240 PolarHBondContact O-N 3.02Å; S238-L240 PolarHBondContact OG-N 2.81Å; S238-L240 VanDerWaalsContact OG-N 3.15Å; L240-S244 WeakPolarHBondContact O-CB 3.43Å; L240-S244 PolarHBondContact O-N 3.01Å; L240-S244 PolarHBondContact O-OG 2.61Å; L240-V252 HydrophobicContact CD1-CB 4.38Å; L240-V252 HydrophobicContact CD1-CG1 4.03Å; L240-V252 HydrophobicContact CD1-CG2 4.38Å; L240-L255 HydrophobicContact CD1-CB 4.11Å; L240-L255 HydrophobicContact CD1-CD1 4.37Å; L240-L256 HydrophobicContact CD1-CD2 4.37Å; L240-L256 HydrophobicContact CD1-CG 4.12Å; L240-L256 HydrophobicContact CD2-CD2 3.7Å; L240-L256 HydrophobicContact CD2-CG 4.33Å; L240-A260 HydrophobicContact CB-CB 4.17Å; L240-A260 HydrophobicContact CD2-CB 4.1Å; L240-H262 HydrophobicContact CD2-CB 3.87Å; L240-A272 HydrophobicContact CD2-CB 4.22Å; L240-A272 HydrophobicContact CG-CB 3.9Å; L240-L288 HydrophobicContact CD1-CD2 4.4Å; L240-L288 HydrophobicContact CD2-CD2 4.17Å; L240-L288 HydrophobicContact CG-CD2 4.42Å |
| 241 | T | 94.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.3 | -47 | 174.7 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | E237 S238 A243 S244 Y245 T266 A272 | E237-T241 WeakPolarHBondContact CA-OG1 3.45Å; E237-T241 WeakPolarHBondContact CB-OG1 3.35Å; S238-T241 PolarHBondContact N-OG1 3.13Å; S238-T241 PolarHBondContact O-N 2.95Å; S238-T241 PolarHBondContact O-OG1 3.02Å; S238-T241 VanDerWaalsContact O-OG1 3.1Å; S238-T241 PolarHBondContact OG-N 3.01Å; T241-A243 VanDerWaalsContact C-N 3.34Å; T241-A243 PolarHBondContact O-N 2.93Å; T241-S244 PolarHBondContact O-N 3.1Å; T241-S244 VanDerWaalsContact O-N 3.1Å; T241-Y245 WeakPolarHBondContact O-CB 3.49Å; T241-Y245 PolarHBondContact O-N 3.3Å; T241-T266 HydrophobicContact CG2-CG2 4.27Å; T241-A272 HydrophobicContact CG2-CB 4.36Å |
| 242 | L | 93.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.2 | -42.9 | 174.4 | -78 | 167.1 | 0 | 0 | 0 | 113.1 | M207 E237 S238 S244 K246 | M207-L242 HydrophobicContact CB-CD1 3.7Å; M207-L242 HydrophobicContact CG-CD1 3.92Å; E237-L242 HydrophobicContact CB-CD1 4.35Å; E237-L242 HydrophobicContact CB-CG 4.01Å; E237-L242 VanDerWaalsContact OE1-CD2 3.29Å; E237-L242 WeakPolarHBondContact OE1-CD2 3.14Å; S238-L242 PolarHBondContact O-N 3.33Å; S238-L242 VanDerWaalsContact O-N 3.14Å; L242-S244 VanDerWaalsContact C-N 3.31Å; L242-S244 PolarHBondContact O-N 3.21Å; L242-K246 PolarHBondContact O-N 2.87Å |
| 243 | A | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.4 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | T210 A239 T241 G247 H248 M251 V252 L255 | T210-A243 HydrophobicContact CG2-CB 3.64Å; A239-A243 VanDerWaalsContact O-CB 3.27Å; A239-A243 WeakPolarHBondContact O-CB 3.45Å; A239-A243 PolarHBondContact O-N 3.33Å; T241-A243 VanDerWaalsContact C-N 3.34Å; T241-A243 PolarHBondContact O-N 2.93Å; A243-G247 PolarHBondContact O-N 3.14Å; A243-H248 PolarHBondContact O-N 3.41Å; A243-M251 HydrophobicContact CB-CB 4.43Å; A243-M251 HydrophobicContact CB-CG 3.99Å; A243-V252 HydrophobicContact CB-CG2 3.64Å; A243-L255 HydrophobicContact CB-CD1 3.87Å |
| 244 | S | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.4 | -45.1 | -179.9 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | L240 T241 L242 G247 A272 H281 V284 | L240-S244 WeakPolarHBondContact O-CB 3.43Å; L240-S244 PolarHBondContact O-N 3.01Å; L240-S244 PolarHBondContact O-OG 2.61Å; T241-S244 PolarHBondContact O-N 3.1Å; T241-S244 VanDerWaalsContact O-N 3.1Å; L242-S244 VanDerWaalsContact C-N 3.31Å; L242-S244 PolarHBondContact O-N 3.21Å; S244-G247 PolarHBondContact O-N 3.12Å; S244-G247 VanDerWaalsContact O-N 3.14Å; S244-A272 WeakPolarHBondContact CB-O 3.45Å; S244-H281 PolarHBondContact O-CD2 2.79Å; S244-V284 WeakPolarHBondContact OG-CG1 3.34Å |
| 245 | Y | 93.9 | Very high | 94.9 | Very high | 64 Ų | 64 | 33.7 Ų | 33.7 | 25% | 0.251 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.5 | -54.4 | 173.1 | 177 | -110.6 | 0 | 0 | 0 | 111.9 | T241 G247 E275 E279 H281 T673 | T241-Y245 WeakPolarHBondContact O-CB 3.49Å; T241-Y245 PolarHBondContact O-N 3.3Å; Y245-G247 PolarHBondContact O-N 3.47Å; Y245-G247 VanDerWaalsContact O-N 3.12Å; Y245-E275 VanDerWaalsContact CD2-OE2 3.27Å; Y245-E275 WeakPolarHBondContact CD2-OE2 3.11Å; Y245-E279 HydrophobicContact CD2-CG 4.26Å; Y245-E279 HydrophobicContact CE2-CG 4.49Å; Y245-E279 WeakPolarHBondContact O-CG 3.37Å; Y245-H281 PolarHBondContact O-CD2 3.45Å; Y245-H281 PolarHBondContact O-NE2 3.41Å; Y245-T673 HydrophobicContact CD2-CG2 4.01Å; Y245-T673 HydrophobicContact CE2-CG2 3.7Å; Y245-T673 VanDerWaalsContact CE2-OG1 3.24Å; Y245-T673 WeakPolarHBondContact CE2-OG1 3.04Å; Y245-T673 PolarHBondContact OH-OG1 3.45Å |
| 246 | K | 93.7 | Very high | 95.5 | Very high | 76 Ų | 76 | 29.9 Ų | 29.9 | 33% | 0.33 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 7.1 | 177.3 | -57.6 | -60.9 | -172.1 | -175.5 | 0 | 113.8 | L242 H248 D847 | L242-K246 PolarHBondContact O-N 2.87Å; K246-H248 PolarHBondContact O-N 3.27Å; K246-D847 IonicContact NZ-OD2 3.02Å; K246-D847 PolarHBondContact NZ-OD2 2.94Å |
| 247 | G | 94.6 | Very high | 95.7 | Very high | 23 Ų | 23 | 31 Ų | 31 | 24% | 0.237 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 13.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | A243 S244 Y245 A249 H281 | A243-G247 PolarHBondContact O-N 3.14Å; S244-G247 PolarHBondContact O-N 3.12Å; S244-G247 VanDerWaalsContact O-N 3.14Å; Y245-G247 PolarHBondContact O-N 3.47Å; Y245-G247 VanDerWaalsContact O-N 3.12Å; G247-A249 VanDerWaalsContact C-N 3.34Å; G247-A249 PolarHBondContact O-N 3.08Å; G247-H281 WeakPolarHBondContact CA-NE2 3.45Å; G247-H281 PolarHBondContact N-NE2 2.91Å |
| 248 | H | 95.9 | Very high | 95.8 | Very high | 59 Ų | 59 | 31.4 Ų | 31.4 | 27% | 0.273 | 17% | 0.165 | S | C | . | . | trans | -79.2 | 70.3 | -169.5 | -66.6 | -54.6 | 0 | 0 | 0 | 113.3 | T210 S211 A243 K246 E250 M251 V252 | T210-H248 PolarHBondContact O-CD2 2.71Å; S211-H248 PolarHBondContact O-CD2 2.87Å; S211-H248 PolarHBondContact O-NE2 2.84Å; A243-H248 PolarHBondContact O-N 3.41Å; K246-H248 PolarHBondContact O-N 3.27Å; H248-E250 VanDerWaalsContact C-N 3.31Å; H248-E250 PolarHBondContact O-N 3.06Å; H248-E250 VanDerWaalsContact O-N 3.08Å; H248-M251 HydrophobicContact CB-CB 3.75Å; H248-M251 WeakPolarHBondContact O-CA 3.42Å; H248-M251 WeakPolarHBondContact O-CB 3.36Å; H248-M251 PolarHBondContact O-N 3.05Å; H248-V252 PolarHBondContact O-N 3.05Å | ||
| 249 | A | 95.9 | Very high | 95.7 | Very high | 24 Ų | 24 | 33.6 Ų | 33.6 | 20% | 0.198 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -50.3 | -37.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G247 R253 E283 V284 L287 | G247-A249 VanDerWaalsContact C-N 3.34Å; G247-A249 PolarHBondContact O-N 3.08Å; A249-R253 WeakPolarHBondContact O-CB 3.19Å; A249-R253 PolarHBondContact O-N 3.34Å; A249-E283 HydrophobicContact CB-CG 4.36Å; A249-V284 HydrophobicContact CB-CG2 4.14Å; A249-L287 HydrophobicContact CB-CD1 4Å; A249-L287 VanDerWaalsContact O-CD1 3.27Å; A249-L287 WeakPolarHBondContact O-CD1 3.02Å |
| 250 | E | 96.2 | Very high | 95.7 | Very high | 113 Ų | 113 | 33.9 Ų | 33.9 | 53% | 0.528 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -75.7 | -26.9 | 176.2 | -72.7 | -61 | 110.4 | 0 | 0 | 113.5 | H248 R253 F254 | H248-E250 VanDerWaalsContact C-N 3.31Å; H248-E250 PolarHBondContact O-N 3.06Å; H248-E250 VanDerWaalsContact O-N 3.08Å; E250-R253 IonicContact OE1-CZ 2.68Å; E250-R253 IonicContact OE1-NE 3.47Å; E250-R253 PolarHBondContact OE1-NE 3.23Å; E250-R253 IonicContact OE1-NH2 2.67Å; E250-R253 PolarHBondContact OE1-NH2 2.99Å; E250-R253 IonicContact OE2-NE 4Å; E250-F254 WeakPolarHBondContact O-CB 3.37Å; E250-F254 PolarHBondContact O-N 3.07Å; E250-F254 VanDerWaalsContact O-N 3.09Å |
| 251 | M | 96.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.8 | -46.6 | 169.8 | -177.6 | 64.2 | 77.1 | 0 | 0 | 110.3 | T210 H214 V215 A218 A243 H248 R253 F254 L255 | T210-M251 HydrophobicContact CG2-CG 3.83Å; T210-M251 HydrophobicContact CG2-SD 4.43Å; H214-M251 VanDerWaalsContact C-CE 3.41Å; V215-M251 VanDerWaalsContact CA-CE 3.44Å; V215-M251 HydrophobicContact CB-CE 4.22Å; V215-M251 HydrophobicContact CG2-CB 4.27Å; V215-M251 HydrophobicContact CG2-CE 3.89Å; V215-M251 HydrophobicContact CG2-SD 4.28Å; V215-M251 VanDerWaalsContact N-CE 3.27Å; A218-M251 HydrophobicContact CB-CE 4.06Å; A218-M251 HydrophobicContact CB-SD 3.91Å; A243-M251 HydrophobicContact CB-CB 4.43Å; A243-M251 HydrophobicContact CB-CG 3.99Å; H248-M251 HydrophobicContact CB-CB 3.75Å; H248-M251 WeakPolarHBondContact O-CA 3.42Å; H248-M251 WeakPolarHBondContact O-CB 3.36Å; H248-M251 PolarHBondContact O-N 3.05Å; M251-R253 VanDerWaalsContact C-N 3.34Å; M251-R253 PolarHBondContact O-N 3.42Å; M251-F254 WeakPolarHBondContact O-CB 3.29Å; M251-F254 PolarHBondContact O-N 2.88Å; M251-F254 HydrophobicContact SD-CD1 4.14Å; M251-L255 HydrophobicContact CG-CD1 3.91Å; M251-L255 HydrophobicContact CG-CG 4.33Å; M251-L255 WeakPolarHBondContact O-CG 3.49Å; M251-L255 PolarHBondContact O-N 2.96Å; M251-L255 HydrophobicContact SD-CD1 4.35Å; M251-L255 HydrophobicContact SD-CG 4.27Å |
| 252 | V | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.9 | -49.4 | 172.7 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | L240 A243 H248 F254 L255 L256 V284 L287 L288 | L240-V252 HydrophobicContact CD1-CB 4.38Å; L240-V252 HydrophobicContact CD1-CG1 4.03Å; L240-V252 HydrophobicContact CD1-CG2 4.38Å; A243-V252 HydrophobicContact CB-CG2 3.64Å; H248-V252 PolarHBondContact O-N 3.05Å; V252-F254 VanDerWaalsContact C-N 3.32Å; V252-F254 PolarHBondContact O-N 2.94Å; V252-L255 PolarHBondContact O-N 3.44Å; V252-L256 HydrophobicContact CG1-CD1 3.72Å; V252-L256 HydrophobicContact CG1-CG 4.44Å; V252-L256 WeakPolarHBondContact O-CB 3.46Å; V252-L256 VanDerWaalsContact O-CG 3.29Å; V252-L256 WeakPolarHBondContact O-CG 3.34Å; V252-L256 PolarHBondContact O-N 3.06Å; V252-V284 HydrophobicContact CG1-CG1 4.28Å; V252-V284 HydrophobicContact CG2-CG1 4.09Å; V252-V284 HydrophobicContact CG2-CG2 4.32Å; V252-L287 HydrophobicContact CG1-CB 4.3Å; V252-L287 HydrophobicContact CG1-CD1 4.49Å; V252-L288 HydrophobicContact CG1-CD2 4.43Å; V252-L288 HydrophobicContact CG1-CG 4.39Å |
| 253 | R | 97.5 | Very high | 95.2 | Very high | 92 Ų | 92 | 42.5 Ų | 42.5 | 35% | 0.347 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.7 | -45.1 | 174.4 | -171.6 | -166.3 | -53.2 | -66.4 | -8 | 112 | A249 E250 M251 T257 L287 | A249-R253 WeakPolarHBondContact O-CB 3.19Å; A249-R253 PolarHBondContact O-N 3.34Å; E250-R253 IonicContact OE1-CZ 2.68Å; E250-R253 IonicContact OE1-NE 3.47Å; E250-R253 PolarHBondContact OE1-NE 3.23Å; E250-R253 IonicContact OE1-NH2 2.67Å; E250-R253 PolarHBondContact OE1-NH2 2.99Å; E250-R253 IonicContact OE2-NE 4Å; M251-R253 VanDerWaalsContact C-N 3.34Å; M251-R253 PolarHBondContact O-N 3.42Å; R253-T257 VanDerWaalsContact O-CB 3.32Å; R253-T257 WeakPolarHBondContact O-CB 3.13Å; R253-T257 PolarHBondContact O-N 3.33Å; R253-T257 PolarHBondContact O-OG1 2.77Å; R253-L287 HydrophobicContact CB-CD1 4.29Å |
| 254 | F | 97 | Very high | 94.9 | Very high | 30 Ų | 30 | 44.3 Ų | 44.3 | 13% | 0.132 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66 | -47 | 179.6 | 167.4 | -116.5 | 0 | 0 | 0 | 112.3 | V215 A218 R219 I222 E250 M251 V252 T257 A258 | V215-F254 HydrophobicContact CG1-CB 3.74Å; V215-F254 HydrophobicContact CG1-CD1 3.76Å; V215-F254 HydrophobicContact CG1-CG 3.72Å; A218-F254 HydrophobicContact CB-CD1 4.39Å; A218-F254 HydrophobicContact CB-CE1 3.9Å; R219-F254 HydrophobicContact CB-CE1 4.25Å; R219-F254 HydrophobicContact CB-CE2 4.33Å; R219-F254 HydrophobicContact CB-CZ 3.84Å; R219-F254 HydrophobicContact CG-CE2 4.2Å; R219-F254 HydrophobicContact CG-CZ 4.11Å; R219-F254 VanDerWaalsContact NH1-CD2 3.28Å; R219-F254 VanDerWaalsContact NH1-CE2 3.33Å; I222-F254 HydrophobicContact CD1-CE1 3.82Å; I222-F254 HydrophobicContact CD1-CZ 3.9Å; E250-F254 WeakPolarHBondContact O-CB 3.37Å; E250-F254 PolarHBondContact O-N 3.07Å; E250-F254 VanDerWaalsContact O-N 3.09Å; M251-F254 WeakPolarHBondContact O-CB 3.29Å; M251-F254 PolarHBondContact O-N 2.88Å; M251-F254 HydrophobicContact SD-CD1 4.14Å; V252-F254 VanDerWaalsContact C-N 3.32Å; V252-F254 PolarHBondContact O-N 2.94Å; F254-T257 CarbonylContact O-C 3.48Å; F254-T257 PolarHBondContact O-N 3.26Å; F254-A258 HydrophobicContact CE2-CB 4.19Å; F254-A258 HydrophobicContact CZ-CB 4.34Å; F254-A258 WeakPolarHBondContact O-CB 3.4Å; F254-A258 PolarHBondContact O-N 2.97Å |
| 255 | L | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -46.5 | -179.9 | -69.9 | 171 | 0 | 0 | 0 | 111.6 | T210 I222 I228 A239 L240 A243 M251 V252 T257 A258 G259 A260 | T210-L255 HydrophobicContact CG2-CD1 3.83Å; I222-L255 HydrophobicContact CD1-CD2 4.24Å; I228-L255 HydrophobicContact CD1-CD2 3.94Å; I228-L255 HydrophobicContact CG1-CD2 3.96Å; A239-L255 HydrophobicContact CB-CD1 4.1Å; A239-L255 HydrophobicContact CB-CD2 4.24Å; L240-L255 HydrophobicContact CD1-CB 4.11Å; L240-L255 HydrophobicContact CD1-CD1 4.37Å; A243-L255 HydrophobicContact CB-CD1 3.87Å; M251-L255 HydrophobicContact CG-CD1 3.91Å; M251-L255 HydrophobicContact CG-CG 4.33Å; M251-L255 WeakPolarHBondContact O-CG 3.49Å; M251-L255 PolarHBondContact O-N 2.96Å; M251-L255 HydrophobicContact SD-CD1 4.35Å; M251-L255 HydrophobicContact SD-CG 4.27Å; V252-L255 PolarHBondContact O-N 3.44Å; L255-T257 VanDerWaalsContact C-N 3.33Å; L255-T257 PolarHBondContact O-N 2.99Å; L255-A258 CarbonylContact O-C 3.59Å; L255-A258 WeakPolarHBondContact O-CA 3.35Å; L255-A258 PolarHBondContact O-N 3.11Å; L255-G259 PolarHBondContact O-N 3.44Å; L255-A260 HydrophobicContact CB-CB 3.9Å; L255-A260 WeakPolarHBondContact O-CB 3.22Å; L255-A260 PolarHBondContact O-N 3.38Å |
| 256 | L | 96.1 | Very high | 94.4 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -42.9 | 173.6 | -69.8 | 168.5 | 0 | 0 | 0 | 111.8 | L240 V252 A258 G259 H262 L287 L288 H291 | L240-L256 HydrophobicContact CD1-CD2 4.37Å; L240-L256 HydrophobicContact CD1-CG 4.12Å; L240-L256 HydrophobicContact CD2-CD2 3.7Å; L240-L256 HydrophobicContact CD2-CG 4.33Å; V252-L256 HydrophobicContact CG1-CD1 3.72Å; V252-L256 HydrophobicContact CG1-CG 4.44Å; V252-L256 WeakPolarHBondContact O-CB 3.46Å; V252-L256 VanDerWaalsContact O-CG 3.29Å; V252-L256 WeakPolarHBondContact O-CG 3.34Å; V252-L256 PolarHBondContact O-N 3.06Å; L256-A258 PolarHBondContact O-N 2.76Å; L256-G259 PolarHBondContact O-N 3.38Å; L256-H262 HydrophobicContact CD2-CB 4Å; L256-L287 HydrophobicContact CD1-CB 4.44Å; L256-L288 HydrophobicContact CD1-CD2 4.07Å; L256-L288 HydrophobicContact CD2-CD2 4.19Å; L256-H291 HydrophobicContact CD1-CB 4.38Å; L256-H291 HydrophobicContact CD2-CB 4.27Å |
| 257 | T | 95.3 | Very high | 94 | Very high | 106 Ų | 106 | 44.2 Ų | 44.2 | 65% | 0.65 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -66.4 | -25.8 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 112.6 | R253 F254 L255 | R253-T257 VanDerWaalsContact O-CB 3.32Å; R253-T257 WeakPolarHBondContact O-CB 3.13Å; R253-T257 PolarHBondContact O-N 3.33Å; R253-T257 PolarHBondContact O-OG1 2.77Å; F254-T257 CarbonylContact O-C 3.48Å; F254-T257 PolarHBondContact O-N 3.26Å; L255-T257 VanDerWaalsContact C-N 3.33Å; L255-T257 PolarHBondContact O-N 2.99Å |
| 258 | A | 94.7 | Very high | 93.5 | Very high | 44 Ų | 44 | 47 Ų | 47 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -87.9 | -7.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I228 F254 L255 L256 | I228-A258 HydrophobicContact CD1-CB 3.52Å; F254-A258 HydrophobicContact CE2-CB 4.19Å; F254-A258 HydrophobicContact CZ-CB 4.34Å; F254-A258 WeakPolarHBondContact O-CB 3.4Å; F254-A258 PolarHBondContact O-N 2.97Å; L255-A258 CarbonylContact O-C 3.59Å; L255-A258 WeakPolarHBondContact O-CA 3.35Å; L255-A258 PolarHBondContact O-N 3.11Å; L256-A258 PolarHBondContact O-N 2.76Å |
| 259 | G | 93.3 | Very high | 93 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 50% | 0.495 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | 28.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L255 L256 | L255-G259 PolarHBondContact O-N 3.44Å; L256-G259 PolarHBondContact O-N 3.38Å |
| 260 | A | 95.5 | Very high | 92.6 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 7% | 0.066 | 24% | 0.243 | C | C | . | . | trans | -64.4 | 140.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I228 N229 L240 L255 H262 | I228-A260 HydrophobicContact CD1-CB 3.82Å; I228-A260 HydrophobicContact CG1-CB 3.92Å; N229-A260 WeakPolarHBondContact OD1-CA 3.14Å; L240-A260 HydrophobicContact CB-CB 4.17Å; L240-A260 HydrophobicContact CD2-CB 4.1Å; L255-A260 HydrophobicContact CB-CB 3.9Å; L255-A260 WeakPolarHBondContact O-CB 3.22Å; L255-A260 PolarHBondContact O-N 3.38Å; A260-H262 PolarHBondContact O-N 2.94Å | ||
| 261 | D | 93.1 | Very high | 92.5 | Very high | 77 Ų | 77 | 40.6 Ų | 40.6 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | trans | -75.7 | 121.6 | 176.9 | -165.6 | -17 | 0 | 0 | 0 | 111 | N229 E263 H264 | N229-D261 PolarHBondContact OD1-N 3.43Å; D261-E263 PolarHBondContact OD1-N 3.38Å; D261-H264 HydrophobicContact CB-CB 4.29Å | ||
| 262 | H | 90.6 | Very high | 92.4 | Very high | 41 Ų | 41 | 40.6 Ų | 40.6 | 19% | 0.19 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -92.4 | -11.7 | 179.6 | 56.7 | 73.9 | 0 | 0 | 0 | 114.1 | L240 L256 A260 L288 A293 | L240-H262 HydrophobicContact CD2-CB 3.87Å; L256-H262 HydrophobicContact CD2-CB 4Å; A260-H262 PolarHBondContact O-N 2.94Å; H262-L288 HydrophobicContact CB-CD2 4.23Å; H262-A293 HydrophobicContact CB-CB 4.46Å; H262-A293 WeakPolarHBondContact ND1-CA 3.24Å |
| 263 | E | 91.2 | Very high | 92.3 | Very high | 72 Ų | 72 | 40.6 Ų | 40.6 | 34% | 0.336 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -96.5 | 0.7 | 174 | -55.2 | -59.5 | 113.8 | 0 | 0 | 112.3 | D261 A293 N294 | D261-E263 PolarHBondContact OD1-N 3.38Å; E263-A293 VanDerWaalsContact OE1-CA 3.29Å; E263-A293 WeakPolarHBondContact OE1-CA 3.47Å; E263-N294 PolarHBondContact OE1-N 2.93Å; E263-N294 WeakPolarHBondContact OE2-CB 3.46Å |
| 264 | H | 91 | Very high | 92.1 | Very high | 38 Ų | 38 | 36.2 Ų | 36.2 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | trans | -57.3 | 135.5 | 173.5 | 176.6 | 77.6 | 0 | 0 | 0 | 111.3 | H231 K236 D261 T271 | H231-H264 AromaticContact CD2-CE1 4Å; K236-H264 PolarHBondContact O-NE2 3.32Å; D261-H264 HydrophobicContact CB-CB 4.29Å; H264-T271 WeakPolarHBondContact O-CA 3.29Å | ||
| 265 | R | 89.5 | Confident | 92 | Very high | 60 Ų | 60 | 35.4 Ų | 35.4 | 23% | 0.226 | 20% | 0.199 | C | C | . | . | trans | -109.5 | 134.9 | -178.3 | -75.1 | -176.7 | 163.1 | 164.7 | -7.9 | 112.3 | M269 H270 T271 P298 D300 | R265-M269 HydrophobicContact CB-CE 4.49Å; R265-M269 WeakPolarHBondContact CG-O 3.14Å; R265-H270 CarbonylContact C-O 3.54Å; R265-H270 VanDerWaalsContact CA-O 3.28Å; R265-H270 WeakPolarHBondContact CA-O 3.49Å; R265-T271 HydrophobicContact CG-CG2 4.2Å; R265-P298 PolarHBondContact NH2-O 3.1Å; R265-D300 IonicContact CZ-OD2 3.18Å; R265-D300 IonicContact NH1-OD2 3.53Å; R265-D300 PolarHBondContact NH1-OD2 3.03Å; R265-D300 IonicContact NH2-OD2 2.77Å; R265-D300 PolarHBondContact NH2-OD2 3.43Å | ||
| 266 | T | 89.8 | Confident | 91.9 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | trans | -66.2 | 174.6 | 164.4 | 63.6 | 0 | 0 | 0 | 0 | 111.1 | F235 E237 T241 E268 M269 H270 | F235-T266 CarbonylContact O-C 3.48Å; F235-T266 WeakPolarHBondContact O-CA 3.48Å; F235-T266 VanDerWaalsContact O-CB 3.31Å; F235-T266 WeakPolarHBondContact O-CB 3.26Å; E237-T266 HydrophobicContact CG-CG2 4.27Å; T241-T266 HydrophobicContact CG2-CG2 4.27Å; T266-E268 PolarHBondContact O-N 3.05Å; T266-E268 PolarHBondContact OG1-N 2.93Å; T266-M269 WeakPolarHBondContact O-CA 3.49Å; T266-M269 VanDerWaalsContact O-CE 3.25Å; T266-M269 WeakPolarHBondContact O-CE 3.49Å; T266-M269 PolarHBondContact O-N 3.15Å; T266-H270 HydrophobicContact CG2-CB 4.44Å; T266-H270 PolarHBondContact N-O 3.5Å; T266-H270 WeakPolarHBondContact OG1-CB 3.29Å; T266-H270 PolarHBondContact OG1-N 3.47Å; T266-H270 VanDerWaalsContact OG1-N 3.09Å | ||
| 267 | D | 86.3 | Confident | 91.9 | Very high | 72 Ų | 72 | 34.8 Ų | 34.8 | 39% | 0.385 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.2 | 171.1 | -95.9 | -57.6 | 0 | 0 | 0 | 113.5 | F235 K236 M269 | F235-D267 PolarHBondContact O-N 3.4Å; K236-D267 WeakPolarHBondContact CD-OD2 3.26Å; K236-D267 WeakPolarHBondContact CE-OD2 3.32Å; K236-D267 WeakPolarHBondContact CG-OD2 3.45Å; K236-D267 IonicContact NZ-OD1 2.71Å; K236-D267 PolarHBondContact NZ-OD1 2.8Å; K236-D267 IonicContact NZ-OD2 2.81Å; K236-D267 PolarHBondContact NZ-OD2 3.25Å; D267-M269 PolarHBondContact O-N 2.83Å |
| 268 | E | 83.2 | Confident | 91.7 | Very high | 82 Ų | 82 | 30.1 Ų | 30.1 | 38% | 0.383 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 9.3 | 168.7 | -58.3 | -178.7 | 151.3 | 0 | 0 | 112.6 | T266 H270 H675 | T266-E268 PolarHBondContact O-N 3.05Å; T266-E268 PolarHBondContact OG1-N 2.93Å; E268-H270 PolarHBondContact O-N 2.88Å; E268-H675 WeakPolarHBondContact OE1-CB 3.33Å; E268-H675 IonicContact OE1-CG 3.14Å; E268-H675 IonicContact OE2-CD2 3.71Å; E268-H675 PolarHBondContact OE2-CD2 3.39Å; E268-H675 IonicContact OE2-CG 2.77Å |
| 269 | M | 85.6 | Confident | 91.6 | Very high | 55 Ų | 55 | 29.5 Ų | 29.5 | 27% | 0.271 | 16% | 0.156 | S | C | . | . | trans | 63.4 | 10.5 | -176 | -58.6 | -72 | 93.4 | 0 | 0 | 115.6 | R265 T266 D267 | R265-M269 HydrophobicContact CB-CE 4.49Å; R265-M269 WeakPolarHBondContact CG-O 3.14Å; T266-M269 WeakPolarHBondContact O-CA 3.49Å; T266-M269 VanDerWaalsContact O-CE 3.25Å; T266-M269 WeakPolarHBondContact O-CE 3.49Å; T266-M269 PolarHBondContact O-N 3.15Å; D267-M269 PolarHBondContact O-N 2.83Å | ||
| 270 | H | 88.7 | Confident | 91.7 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | trans | -75.3 | 136.1 | 179.4 | -73.4 | 175.3 | 0 | 0 | 0 | 113.6 | R265 T266 E268 M274 E275 M278 H675 | R265-H270 CarbonylContact C-O 3.54Å; R265-H270 VanDerWaalsContact CA-O 3.28Å; R265-H270 WeakPolarHBondContact CA-O 3.49Å; T266-H270 HydrophobicContact CG2-CB 4.44Å; T266-H270 PolarHBondContact N-O 3.5Å; T266-H270 WeakPolarHBondContact OG1-CB 3.29Å; T266-H270 PolarHBondContact OG1-N 3.47Å; T266-H270 VanDerWaalsContact OG1-N 3.09Å; E268-H270 PolarHBondContact O-N 2.88Å; H270-M274 HydrophobicContact CB-CB 3.97Å; H270-E275 WeakPolarHBondContact CB-OE1 3.47Å; H270-E275 IonicContact CG-OE1 2.69Å; H270-E275 IonicContact ND1-OE1 2.94Å; H270-E275 PolarHBondContact ND1-OE1 3.12Å; H270-M278 WeakPolarHBondContact CE1-CE 3.33Å; H270-M278 VanDerWaalsContact CE1-SD 3.58Å; H270-M278 WeakPolarHBondContact ND1-CE 3.4Å; H270-H675 AromaticContact CD2-NE2 4Å; H270-H675 AromaticContact CE1-CD2 3.25Å; H270-H675 PolarHBondContact CE1-CD2 3.1Å; H270-H675 AromaticContact CE1-NE2 3.15Å; H270-H675 PolarHBondContact CE1-NE2 3.49Å; H270-H675 AromaticContact NE2-CD2 3.58Å; H270-H675 AromaticContact NE2-NE2 2.96Å; H270-H675 PolarHBondContact NE2-NE2 3.34Å | ||
| 271 | T | 93.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | trans | -88.9 | 167.4 | 165.5 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | H264 R265 L273 M274 E275 I297 | H264-T271 WeakPolarHBondContact O-CA 3.29Å; R265-T271 HydrophobicContact CG-CG2 4.2Å; T271-L273 PolarHBondContact O-N 3.08Å; T271-L273 VanDerWaalsContact O-N 3.08Å; T271-L273 PolarHBondContact OG1-N 3.44Å; T271-M274 HydrophobicContact CG2-SD 4.03Å; T271-M274 PolarHBondContact N-SD 2.83Å; T271-M274 WeakPolarHBondContact O-CB 3.5Å; T271-M274 PolarHBondContact O-N 2.78Å; T271-M274 PolarHBondContact OG1-N 3.25Å; T271-M274 PolarHBondContact OG1-SD 3.34Å; T271-M274 VanDerWaalsContact OG1-SD 3.36Å; T271-E275 PolarHBondContact O-N 3.18Å; T271-E275 VanDerWaalsContact O-N 3.09Å; T271-I297 HydrophobicContact CG2-CD1 3.88Å; T271-I297 HydrophobicContact CG2-CG2 4.47Å; T271-I297 VanDerWaalsContact OG1-CD1 3.26Å; T271-I297 WeakPolarHBondContact OG1-CD1 3.42Å | ||
| 272 | A | 94.8 | Very high | 92 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.9 | -26 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L240 T241 S244 A276 L288 | L240-A272 HydrophobicContact CD2-CB 4.22Å; L240-A272 HydrophobicContact CG-CB 3.9Å; T241-A272 HydrophobicContact CG2-CB 4.36Å; S244-A272 WeakPolarHBondContact CB-O 3.45Å; A272-A276 WeakPolarHBondContact O-CB 3.27Å; A272-A276 PolarHBondContact O-N 3.37Å; A272-L288 VanDerWaalsContact C-CD1 3.48Å; A272-L288 HydrophobicContact CB-CD1 4.08Å; A272-L288 HydrophobicContact CB-CD2 3.82Å; A272-L288 WeakPolarHBondContact O-CD1 3.31Å |
| 273 | L | 95.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -77.9 | -33.7 | 175.3 | -177.1 | 63 | 0 | 0 | 0 | 112.2 | T271 A276 A277 A285 L288 L289 A293 N294 P305 L321 | T271-L273 PolarHBondContact O-N 3.08Å; T271-L273 VanDerWaalsContact O-N 3.08Å; T271-L273 PolarHBondContact OG1-N 3.44Å; L273-A276 PolarHBondContact O-N 2.83Å; L273-A277 WeakPolarHBondContact O-CB 3.42Å; L273-A277 PolarHBondContact O-N 2.69Å; L273-A285 HydrophobicContact CD1-CB 3.78Å; L273-L288 HydrophobicContact CB-CD1 4.35Å; L273-L288 HydrophobicContact CD1-CB 4.34Å; L273-L288 HydrophobicContact CD1-CD1 4.44Å; L273-L289 HydrophobicContact CD1-CD1 4.44Å; L273-L289 HydrophobicContact CD1-CD2 4.38Å; L273-L289 HydrophobicContact CD1-CG 4.02Å; L273-L289 HydrophobicContact CD2-CD2 3.76Å; L273-L289 HydrophobicContact CD2-CG 4.3Å; L273-A293 HydrophobicContact CB-CB 4.45Å; L273-A293 HydrophobicContact CD2-CB 4.44Å; L273-N294 WeakPolarHBondContact CD2-O 3.26Å; L273-P305 HydrophobicContact CD2-CB 4.41Å; L273-P305 HydrophobicContact CD2-CG 4.16Å; L273-P305 HydrophobicContact CG-CB 4.33Å; L273-P305 HydrophobicContact CG-CG 4.31Å; L273-L321 HydrophobicContact CD1-CD2 4.34Å; L273-L321 HydrophobicContact CD2-CD2 4.31Å |
| 274 | M | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.1 | -49.3 | 171.6 | -77.7 | 135.5 | 152.5 | 0 | 0 | 111 | H270 T271 A276 A277 M278 I297 S301 E303 P305 L308 | H270-M274 HydrophobicContact CB-CB 3.97Å; T271-M274 HydrophobicContact CG2-SD 4.03Å; T271-M274 PolarHBondContact N-SD 2.83Å; T271-M274 WeakPolarHBondContact O-CB 3.5Å; T271-M274 PolarHBondContact O-N 2.78Å; T271-M274 PolarHBondContact OG1-N 3.25Å; T271-M274 PolarHBondContact OG1-SD 3.34Å; T271-M274 VanDerWaalsContact OG1-SD 3.36Å; M274-A276 VanDerWaalsContact C-N 3.25Å; M274-A276 PolarHBondContact O-N 3.42Å; M274-A277 PolarHBondContact O-N 3.14Å; M274-M278 WeakPolarHBondContact O-CB 3.26Å; M274-M278 PolarHBondContact O-N 2.87Å; M274-I297 HydrophobicContact CE-CB 3.83Å; M274-I297 HydrophobicContact CE-CD1 3.65Å; M274-I297 HydrophobicContact CE-CG1 4.32Å; M274-I297 HydrophobicContact CE-CG2 3.75Å; M274-I297 HydrophobicContact CG-CD1 4.11Å; M274-I297 HydrophobicContact SD-CD1 3.44Å; M274-I297 WeakPolarHBondContact SD-CD1 3.49Å; M274-I297 HydrophobicContact SD-CG2 4.34Å; M274-S301 VanDerWaalsContact CE-CB 3.42Å; M274-S301 VanDerWaalsContact CE-OG 3.29Å; M274-S301 WeakPolarHBondContact CE-OG 3.44Å; M274-E303 WeakPolarHBondContact CE-O 2.96Å; M274-P305 HydrophobicContact CG-CG 4.26Å; M274-L308 HydrophobicContact CB-CD1 3.63Å; M274-L308 HydrophobicContact CG-CD1 3.64Å |
| 275 | E | 93.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 25 Ų | 25 | 6% | 0.061 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.2 | -43.3 | 175.5 | -64.3 | -52.9 | 143 | 0 | 0 | 112.5 | Y245 H270 T271 M278 E279 | Y245-E275 VanDerWaalsContact CD2-OE2 3.27Å; Y245-E275 WeakPolarHBondContact CD2-OE2 3.11Å; H270-E275 WeakPolarHBondContact CB-OE1 3.47Å; H270-E275 IonicContact CG-OE1 2.69Å; H270-E275 IonicContact ND1-OE1 2.94Å; H270-E275 PolarHBondContact ND1-OE1 3.12Å; T271-E275 PolarHBondContact O-N 3.18Å; T271-E275 VanDerWaalsContact O-N 3.09Å; E275-M278 WeakPolarHBondContact OE2-CE 3.29Å; E275-E279 PolarHBondContact O-N 2.93Å; E275-E279 VanDerWaalsContact O-N 3.09Å |
| 276 | A | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72.8 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A272 L273 M274 G280 H281 V284 A285 L288 L317 | A272-A276 WeakPolarHBondContact O-CB 3.27Å; A272-A276 PolarHBondContact O-N 3.37Å; L273-A276 PolarHBondContact O-N 2.83Å; M274-A276 VanDerWaalsContact C-N 3.25Å; M274-A276 PolarHBondContact O-N 3.42Å; A276-G280 CarbonylContact O-C 3.58Å; A276-G280 PolarHBondContact O-N 2.82Å; A276-G280 VanDerWaalsContact O-N 3.1Å; A276-H281 HydrophobicContact CB-CB 4.43Å; A276-H281 PolarHBondContact O-N 3.14Å; A276-V284 HydrophobicContact CB-CB 4.06Å; A276-V284 HydrophobicContact CB-CG1 3.53Å; A276-A285 HydrophobicContact CB-CB 4.12Å; A276-L288 HydrophobicContact CB-CD1 4.16Å; A276-L317 VanDerWaalsContact O-CD2 3.25Å; A276-L317 WeakPolarHBondContact O-CD2 3.37Å |
| 277 | A | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.4 | -37.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L273 M274 P305 L308 H314 L321 | L273-A277 WeakPolarHBondContact O-CB 3.42Å; L273-A277 PolarHBondContact O-N 2.69Å; M274-A277 PolarHBondContact O-N 3.14Å; A277-P305 HydrophobicContact CB-CB 4.01Å; A277-P305 WeakPolarHBondContact CB-O 3.08Å; A277-L308 HydrophobicContact CB-CB 4.39Å; A277-H314 PolarHBondContact O-CD2 3.25Å; A277-L321 HydrophobicContact CB-CD1 4.32Å |
| 278 | M | 91.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.039 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.4 | -61.8 | 177.6 | -160.5 | 176.9 | 31.9 | 0 | 0 | 110.2 | H270 M274 E275 G280 L308 H314 P672 T673 T674 | H270-M278 WeakPolarHBondContact CE1-CE 3.33Å; H270-M278 VanDerWaalsContact CE1-SD 3.58Å; H270-M278 WeakPolarHBondContact ND1-CE 3.4Å; M274-M278 WeakPolarHBondContact O-CB 3.26Å; M274-M278 PolarHBondContact O-N 2.87Å; E275-M278 WeakPolarHBondContact OE2-CE 3.29Å; M278-G280 PolarHBondContact O-N 3.23Å; M278-G280 VanDerWaalsContact O-N 3.07Å; M278-L308 HydrophobicContact CB-CB 4.41Å; M278-L308 HydrophobicContact CB-CD1 4.47Å; M278-L308 HydrophobicContact CB-CD2 4.49Å; M278-L308 HydrophobicContact CG-CD2 4.11Å; M278-L308 HydrophobicContact SD-CD2 4.22Å; M278-H314 PolarHBondContact O-CD2 3.17Å; M278-H314 PolarHBondContact O-NE2 3.4Å; M278-P672 CarbonylContact C-O 3.48Å; M278-P672 VanDerWaalsContact O-CD 3.29Å; M278-P672 WeakPolarHBondContact O-CD 3.41Å; M278-T673 HydrophobicContact CB-CG2 3.9Å; M278-T673 HydrophobicContact CE-CG2 3.6Å; M278-T673 HydrophobicContact CG-CG2 3.64Å; M278-T673 HydrophobicContact SD-CG2 3.93Å; M278-T674 WeakPolarHBondContact CG-OG1 3.4Å; M278-T674 PolarHBondContact SD-OG1 2.79Å |
| 279 | E | 93.8 | Very high | 94.7 | Very high | 31 Ų | 31 | 19.5 Ų | 19.5 | 15% | 0.145 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.6 | -12.2 | 175.5 | -84.4 | -51.7 | 154.8 | 0 | 0 | 114.2 | Y245 E275 H281 P672 T673 | Y245-E279 HydrophobicContact CD2-CG 4.26Å; Y245-E279 HydrophobicContact CE2-CG 4.49Å; Y245-E279 WeakPolarHBondContact O-CG 3.37Å; E275-E279 PolarHBondContact O-N 2.93Å; E275-E279 VanDerWaalsContact O-N 3.09Å; E279-H281 WeakPolarHBondContact CB-CD2 3.25Å; E279-H281 VanDerWaalsContact CB-NE2 3.26Å; E279-H281 WeakPolarHBondContact CB-NE2 3.24Å; E279-P672 VanDerWaalsContact C-CD 3.43Å; E279-P672 WeakPolarHBondContact CA-O 3.45Å; E279-P672 PolarHBondContact N-O 3.28Å; E279-P672 VanDerWaalsContact O-CD 3.24Å; E279-P672 WeakPolarHBondContact O-CD 3.35Å; E279-P672 WeakPolarHBondContact OE2-CA 3.25Å; E279-T673 HydrophobicContact CB-CG2 4.1Å; E279-T673 HydrophobicContact CG-CG2 3.36Å; E279-T673 VanDerWaalsContact OE1-CB 3.26Å; E279-T673 WeakPolarHBondContact OE1-CB 3.4Å; E279-T673 WeakPolarHBondContact OE1-CG2 3.46Å; E279-T673 PolarHBondContact OE1-N 3.27Å; E279-T673 PolarHBondContact OE1-OG1 3.32Å |
| 280 | G | 94.7 | Very high | 95.2 | Very high | 16 Ų | 16 | 20.1 Ų | 20.1 | 17% | 0.165 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 16.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A276 M278 V282 H314 | A276-G280 CarbonylContact O-C 3.58Å; A276-G280 PolarHBondContact O-N 2.82Å; A276-G280 VanDerWaalsContact O-N 3.1Å; M278-G280 PolarHBondContact O-N 3.23Å; M278-G280 VanDerWaalsContact O-N 3.07Å; G280-V282 VanDerWaalsContact C-N 3.3Å; G280-V282 WeakPolarHBondContact O-CG2 3.43Å; G280-V282 PolarHBondContact O-N 2.95Å; G280-H314 VanDerWaalsContact CA-CD2 3.46Å; G280-H314 WeakPolarHBondContact CA-CD2 3.46Å; G280-H314 WeakPolarHBondContact CA-NE2 3.26Å; G280-H314 PolarHBondContact N-NE2 3.04Å |
| 281 | H | 97.1 | Very high | 95.5 | Very high | 55 Ų | 55 | 24 Ų | 24 | 26% | 0.255 | 13% | 0.127 | S | C | . | . | trans | -73.2 | 74.5 | -176.6 | -67.6 | -50.9 | 0 | 0 | 0 | 112.6 | S244 Y245 G247 A276 E279 E283 V284 A285 | S244-H281 PolarHBondContact O-CD2 2.79Å; Y245-H281 PolarHBondContact O-CD2 3.45Å; Y245-H281 PolarHBondContact O-NE2 3.41Å; G247-H281 WeakPolarHBondContact CA-NE2 3.45Å; G247-H281 PolarHBondContact N-NE2 2.91Å; A276-H281 HydrophobicContact CB-CB 4.43Å; A276-H281 PolarHBondContact O-N 3.14Å; E279-H281 WeakPolarHBondContact CB-CD2 3.25Å; E279-H281 VanDerWaalsContact CB-NE2 3.26Å; E279-H281 WeakPolarHBondContact CB-NE2 3.24Å; H281-E283 VanDerWaalsContact C-N 3.29Å; H281-E283 PolarHBondContact O-N 2.83Å; H281-E283 VanDerWaalsContact O-N 3.11Å; H281-V284 HydrophobicContact CB-CB 3.8Å; H281-V284 HydrophobicContact CB-CG2 3.91Å; H281-V284 WeakPolarHBondContact O-CB 3.4Å; H281-V284 PolarHBondContact O-N 2.95Å; H281-A285 PolarHBondContact O-N 3.1Å | ||
| 282 | V | 96.8 | Very high | 95.5 | Very high | 30 Ų | 30 | 26.3 Ų | 26.3 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -49.5 | -42.8 | -172.9 | -170.8 | 0 | 0 | 0 | 0 | 113.8 | G280 R286 E316 L317 L320 | G280-V282 VanDerWaalsContact C-N 3.3Å; G280-V282 WeakPolarHBondContact O-CG2 3.43Å; G280-V282 PolarHBondContact O-N 2.95Å; V282-R286 WeakPolarHBondContact O-CB 3.43Å; V282-R286 PolarHBondContact O-N 3.43Å; V282-E316 HydrophobicContact CG1-CG 4.11Å; V282-E316 HydrophobicContact CG2-CB 4.37Å; V282-E316 HydrophobicContact CG2-CG 4.38Å; V282-L317 HydrophobicContact CG2-CB 4.27Å; V282-L320 HydrophobicContact CG1-CD2 3.95Å |
| 283 | E | 96.6 | Very high | 95.4 | Very high | 86 Ų | 86 | 26.6 Ų | 26.6 | 40% | 0.402 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -76 | -31.6 | -179.2 | -172.8 | 62.5 | -168.8 | 0 | 0 | 112.7 | A249 H281 R286 L287 | A249-E283 HydrophobicContact CB-CG 4.36Å; H281-E283 VanDerWaalsContact C-N 3.29Å; H281-E283 PolarHBondContact O-N 2.83Å; H281-E283 VanDerWaalsContact O-N 3.11Å; E283-R286 PolarHBondContact O-N 2.74Å; E283-R286 WeakPolarHBondContact OE2-CD 3.16Å; E283-R286 IonicContact OE2-CZ 3.76Å; E283-R286 IonicContact OE2-NE 3.2Å; E283-R286 PolarHBondContact OE2-NE 2.98Å; E283-R286 IonicContact OE2-NH2 2.98Å; E283-L287 WeakPolarHBondContact O-CG 3.5Å; E283-L287 PolarHBondContact O-N 3.14Å |
| 284 | V | 97.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64 | -50.3 | 171.4 | 169.5 | 0 | 0 | 0 | 0 | 109.7 | S244 A249 V252 A276 H281 R286 L287 L288 | S244-V284 WeakPolarHBondContact OG-CG1 3.34Å; A249-V284 HydrophobicContact CB-CG2 4.14Å; V252-V284 HydrophobicContact CG1-CG1 4.28Å; V252-V284 HydrophobicContact CG2-CG1 4.09Å; V252-V284 HydrophobicContact CG2-CG2 4.32Å; A276-V284 HydrophobicContact CB-CB 4.06Å; A276-V284 HydrophobicContact CB-CG1 3.53Å; H281-V284 HydrophobicContact CB-CB 3.8Å; H281-V284 HydrophobicContact CB-CG2 3.91Å; H281-V284 WeakPolarHBondContact O-CB 3.4Å; H281-V284 PolarHBondContact O-N 2.95Å; V284-R286 VanDerWaalsContact C-N 3.3Å; V284-R286 PolarHBondContact O-N 3.27Å; V284-L287 WeakPolarHBondContact O-CB 3.33Å; V284-L287 PolarHBondContact O-N 2.56Å; V284-L288 HydrophobicContact CG1-CD1 3.79Å; V284-L288 HydrophobicContact CG1-CG 4.5Å; V284-L288 WeakPolarHBondContact O-CG 3.23Å; V284-L288 PolarHBondContact O-N 3.44Å |
| 285 | A | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.7 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L273 A276 H281 L287 L288 L289 L317 | L273-A285 HydrophobicContact CD1-CB 3.78Å; A276-A285 HydrophobicContact CB-CB 4.12Å; H281-A285 PolarHBondContact O-N 3.1Å; A285-L287 VanDerWaalsContact C-N 3.31Å; A285-L287 PolarHBondContact O-N 3.42Å; A285-L288 PolarHBondContact O-N 3Å; A285-L289 VanDerWaalsContact O-CB 3.31Å; A285-L289 WeakPolarHBondContact O-CB 3.44Å; A285-L289 WeakPolarHBondContact O-CD1 3.46Å; A285-L289 VanDerWaalsContact O-CG 3.23Å; A285-L289 WeakPolarHBondContact O-CG 3.45Å; A285-L289 PolarHBondContact O-N 3.48Å; A285-L317 HydrophobicContact CB-CD1 3.45Å; A285-L317 VanDerWaalsContact CB-CD1 3.45Å; A285-L317 HydrophobicContact CB-CD2 4.33Å |
| 286 | R | 97.8 | Very high | 95.1 | Very high | 83 Ų | 83 | 32.1 Ų | 32.1 | 31% | 0.313 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.6 | -40.5 | 173.7 | -164.9 | -170.1 | -45.7 | -67.4 | 0.4 | 112.4 | V282 E283 V284 A290 E316 L320 | V282-R286 WeakPolarHBondContact O-CB 3.43Å; V282-R286 PolarHBondContact O-N 3.43Å; E283-R286 PolarHBondContact O-N 2.74Å; E283-R286 WeakPolarHBondContact OE2-CD 3.16Å; E283-R286 IonicContact OE2-CZ 3.76Å; E283-R286 IonicContact OE2-NE 3.2Å; E283-R286 PolarHBondContact OE2-NE 2.98Å; E283-R286 IonicContact OE2-NH2 2.98Å; V284-R286 VanDerWaalsContact C-N 3.3Å; V284-R286 PolarHBondContact O-N 3.27Å; R286-A290 WeakPolarHBondContact O-CB 3.34Å; R286-A290 PolarHBondContact O-N 3.22Å; R286-E316 IonicContact NH2-OE1 3.97Å; R286-L320 HydrophobicContact CB-CD2 3.98Å |
| 287 | L | 96.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.4 | -43.6 | 177.7 | -69.8 | 169.2 | 0 | 0 | 0 | 111.9 | A249 V252 R253 L256 E283 V284 A285 A290 H291 | A249-L287 HydrophobicContact CB-CD1 4Å; A249-L287 VanDerWaalsContact O-CD1 3.27Å; A249-L287 WeakPolarHBondContact O-CD1 3.02Å; V252-L287 HydrophobicContact CG1-CB 4.3Å; V252-L287 HydrophobicContact CG1-CD1 4.49Å; R253-L287 HydrophobicContact CB-CD1 4.29Å; L256-L287 HydrophobicContact CD1-CB 4.44Å; E283-L287 WeakPolarHBondContact O-CG 3.5Å; E283-L287 PolarHBondContact O-N 3.14Å; V284-L287 WeakPolarHBondContact O-CB 3.33Å; V284-L287 PolarHBondContact O-N 2.56Å; A285-L287 VanDerWaalsContact C-N 3.31Å; A285-L287 PolarHBondContact O-N 3.42Å; L287-A290 PolarHBondContact O-N 2.95Å; L287-H291 PolarHBondContact O-N 3.1Å; L287-H291 VanDerWaalsContact O-N 3.14Å; L287-H291 PolarHBondContact O-ND1 2.98Å |
| 288 | L | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -52.4 | 177.7 | -68.6 | 162.5 | 0 | 0 | 0 | 111.2 | L240 V252 L256 H262 A272 L273 A276 V284 A285 A290 H291 G292 A293 | L240-L288 HydrophobicContact CD1-CD2 4.4Å; L240-L288 HydrophobicContact CD2-CD2 4.17Å; L240-L288 HydrophobicContact CG-CD2 4.42Å; V252-L288 HydrophobicContact CG1-CD2 4.43Å; V252-L288 HydrophobicContact CG1-CG 4.39Å; L256-L288 HydrophobicContact CD1-CD2 4.07Å; L256-L288 HydrophobicContact CD2-CD2 4.19Å; H262-L288 HydrophobicContact CB-CD2 4.23Å; A272-L288 VanDerWaalsContact C-CD1 3.48Å; A272-L288 HydrophobicContact CB-CD1 4.08Å; A272-L288 HydrophobicContact CB-CD2 3.82Å; A272-L288 WeakPolarHBondContact O-CD1 3.31Å; L273-L288 HydrophobicContact CB-CD1 4.35Å; L273-L288 HydrophobicContact CD1-CB 4.34Å; L273-L288 HydrophobicContact CD1-CD1 4.44Å; A276-L288 HydrophobicContact CB-CD1 4.16Å; V284-L288 HydrophobicContact CG1-CD1 3.79Å; V284-L288 HydrophobicContact CG1-CG 4.5Å; V284-L288 WeakPolarHBondContact O-CG 3.23Å; V284-L288 PolarHBondContact O-N 3.44Å; A285-L288 PolarHBondContact O-N 3Å; L288-A290 PolarHBondContact O-N 2.84Å; L288-H291 PolarHBondContact O-N 3.05Å; L288-G292 PolarHBondContact O-N 2.89Å; L288-G292 VanDerWaalsContact O-N 3.15Å; L288-A293 HydrophobicContact CB-CB 3.82Å; L288-A293 WeakPolarHBondContact O-CB 3.48Å; L288-A293 PolarHBondContact O-N 3.11Å |
| 289 | L | 96.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.8 | -35.7 | 175.4 | -70.2 | 167.3 | 0 | 0 | 0 | 112.3 | L273 A285 H291 G292 V295 L320 L321 Y324 | L273-L289 HydrophobicContact CD1-CD1 4.44Å; L273-L289 HydrophobicContact CD1-CD2 4.38Å; L273-L289 HydrophobicContact CD1-CG 4.02Å; L273-L289 HydrophobicContact CD2-CD2 3.76Å; L273-L289 HydrophobicContact CD2-CG 4.3Å; A285-L289 VanDerWaalsContact O-CB 3.31Å; A285-L289 WeakPolarHBondContact O-CB 3.44Å; A285-L289 WeakPolarHBondContact O-CD1 3.46Å; A285-L289 VanDerWaalsContact O-CG 3.23Å; A285-L289 WeakPolarHBondContact O-CG 3.45Å; A285-L289 PolarHBondContact O-N 3.48Å; L289-H291 VanDerWaalsContact C-N 3.33Å; L289-H291 PolarHBondContact O-N 3.37Å; L289-G292 PolarHBondContact O-N 3.5Å; L289-V295 HydrophobicContact CD2-CB 4.06Å; L289-V295 HydrophobicContact CD2-CG2 4.18Å; L289-L320 HydrophobicContact CD1-CD2 4.32Å; L289-L320 HydrophobicContact CD1-CG 4.11Å; L289-L321 HydrophobicContact CD1-CD2 4.18Å; L289-Y324 HydrophobicContact CB-CD1 3.75Å; L289-Y324 HydrophobicContact CB-CE1 3.63Å; L289-Y324 HydrophobicContact CB-CE2 4.47Å; L289-Y324 HydrophobicContact CB-CG 4.2Å; L289-Y324 HydrophobicContact CD1-CD1 4.42Å; L289-Y324 HydrophobicContact CD1-CD2 4.04Å; L289-Y324 HydrophobicContact CD1-CE2 4.42Å; L289-Y324 HydrophobicContact CD1-CG 4.02Å; L289-Y324 HydrophobicContact CD2-CD1 4.15Å; L289-Y324 HydrophobicContact CD2-CG 4.21Å; L289-Y324 HydrophobicContact CG-CD1 4.33Å; L289-Y324 HydrophobicContact CG-CG 4.39Å |
| 290 | A | 95.2 | Very high | 89.6 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 56% | 0.562 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -73.2 | -18.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R286 L287 L288 | R286-A290 WeakPolarHBondContact O-CB 3.34Å; R286-A290 PolarHBondContact O-N 3.22Å; L287-A290 PolarHBondContact O-N 2.95Å; L288-A290 PolarHBondContact O-N 2.84Å |
| 291 | H | 95.1 | Very high | 87.9 | Confident | 85 Ų | 85 | 46.8 Ų | 46.8 | 39% | 0.394 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -91.9 | -9.6 | 171.3 | -71.6 | 77.6 | 0 | 0 | 0 | 113 | L256 L287 L288 L289 | L256-H291 HydrophobicContact CD1-CB 4.38Å; L256-H291 HydrophobicContact CD2-CB 4.27Å; L287-H291 PolarHBondContact O-N 3.1Å; L287-H291 VanDerWaalsContact O-N 3.14Å; L287-H291 PolarHBondContact O-ND1 2.98Å; L288-H291 PolarHBondContact O-N 3.05Å; L289-H291 VanDerWaalsContact C-N 3.33Å; L289-H291 PolarHBondContact O-N 3.37Å |
| 292 | G | 93.1 | Very high | 86.7 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106 | 20 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L288 L289 N294 | L288-G292 PolarHBondContact O-N 2.89Å; L288-G292 VanDerWaalsContact O-N 3.15Å; L289-G292 PolarHBondContact O-N 3.5Å; G292-N294 PolarHBondContact O-N 3.37Å |
| 293 | A | 94.2 | Very high | 86 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | trans | -56.9 | 135.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | H262 E263 L273 L288 V295 | H262-A293 HydrophobicContact CB-CB 4.46Å; H262-A293 WeakPolarHBondContact ND1-CA 3.24Å; E263-A293 VanDerWaalsContact OE1-CA 3.29Å; E263-A293 WeakPolarHBondContact OE1-CA 3.47Å; L273-A293 HydrophobicContact CB-CB 4.45Å; L273-A293 HydrophobicContact CD2-CB 4.44Å; L288-A293 HydrophobicContact CB-CB 3.82Å; L288-A293 WeakPolarHBondContact O-CB 3.48Å; L288-A293 PolarHBondContact O-N 3.11Å; A293-V295 PolarHBondContact O-N 2.98Å | ||
| 294 | N | 91.7 | Very high | 85.6 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | trans | -71 | 127.1 | -174.9 | -176.5 | 18.3 | 0 | 0 | 0 | 111.8 | E263 L273 G292 N296 I297 | E263-N294 PolarHBondContact OE1-N 2.93Å; E263-N294 WeakPolarHBondContact OE2-CB 3.46Å; L273-N294 WeakPolarHBondContact CD2-O 3.26Å; G292-N294 PolarHBondContact O-N 3.37Å; N294-N296 PolarHBondContact ND2-O 3.09Å; N294-N296 PolarHBondContact OD1-N 2.9Å; N294-N296 PolarHBondContact OD1-O 3.42Å; N294-I297 HydrophobicContact CB-CG1 4.44Å; N294-I297 VanDerWaalsContact O-CG1 3.31Å; N294-I297 WeakPolarHBondContact O-CG1 3.48Å | ||
| 295 | V | 93.7 | Very high | 85.4 | Confident | 16 Ų | 16 | 45.2 Ų | 45.2 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -81.5 | -27.4 | -178.9 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | L289 A293 L321 A326 | L289-V295 HydrophobicContact CD2-CB 4.06Å; L289-V295 HydrophobicContact CD2-CG2 4.18Å; A293-V295 PolarHBondContact O-N 2.98Å; V295-L321 HydrophobicContact CG2-CB 4.45Å; V295-L321 HydrophobicContact CG2-CD2 3.93Å; V295-A326 HydrophobicContact CG2-CB 3.8Å |
| 296 | N | 89.5 | Confident | 85.4 | Confident | 55 Ų | 55 | 45.3 Ų | 45.3 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -118.4 | 92.1 | -179.3 | -61.5 | -31.6 | 0 | 0 | 0 | 108.6 | N294 G325 A326 D327 | N294-N296 PolarHBondContact ND2-O 3.09Å; N294-N296 PolarHBondContact OD1-N 2.9Å; N294-N296 PolarHBondContact OD1-O 3.42Å; N296-G325 PolarHBondContact ND2-O 3.07Å; N296-A326 WeakPolarHBondContact OD1-CA 3.28Å; N296-D327 PolarHBondContact OD1-N 3.45Å |
| 297 | I | 78.9 | Confident | 85.1 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | trans | -88.5 | 134.3 | -165.5 | -62.5 | 173.6 | 0 | 0 | 0 | 109.4 | T271 M274 N294 P305 | T271-I297 HydrophobicContact CG2-CD1 3.88Å; T271-I297 HydrophobicContact CG2-CG2 4.47Å; T271-I297 VanDerWaalsContact OG1-CD1 3.26Å; T271-I297 WeakPolarHBondContact OG1-CD1 3.42Å; M274-I297 HydrophobicContact CE-CB 3.83Å; M274-I297 HydrophobicContact CE-CD1 3.65Å; M274-I297 HydrophobicContact CE-CG1 4.32Å; M274-I297 HydrophobicContact CE-CG2 3.75Å; M274-I297 HydrophobicContact CG-CD1 4.11Å; M274-I297 HydrophobicContact SD-CD1 3.44Å; M274-I297 WeakPolarHBondContact SD-CD1 3.49Å; M274-I297 HydrophobicContact SD-CG2 4.34Å; N294-I297 HydrophobicContact CB-CG1 4.44Å; N294-I297 VanDerWaalsContact O-CG1 3.31Å; N294-I297 WeakPolarHBondContact O-CG1 3.48Å; I297-P305 HydrophobicContact CD1-CG 3.7Å; I297-P305 HydrophobicContact CG1-CG 4.28Å | ||
| 298 | P | 63.4 | Low | 84.9 | Confident | 74 Ų | 74 | 41 Ų | 41 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | trans | -56.6 | 141.2 | -173 | -27.1 | 35.2 | 0 | 0 | 0 | 114.1 | R265 D300 S301 | R265-P298 PolarHBondContact NH2-O 3.1Å; P298-D300 PolarHBondContact O-N 3.43Å; P298-S301 PolarHBondContact O-N 3.29Å; P298-S301 PolarHBondContact O-OG 3.22Å | ||
| 299 | Q | 57.1 | Low | 84.9 | Confident | 170 Ų | 170 | 41 Ų | 41 | 79% | 0.794 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 4.2 | -169.5 | -56.2 | -176.6 | -70.3 | 0 | 0 | 118 | ||
| 300 | D | 62.1 | Low | 84.8 | Confident | 105 Ų | 105 | 40.5 Ų | 40.5 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18.4 | 168.8 | -16 | -82.4 | 0 | 0 | 0 | 112.1 | R265 P298 | R265-D300 IonicContact CZ-OD2 3.18Å; R265-D300 IonicContact NH1-OD2 3.53Å; R265-D300 PolarHBondContact NH1-OD2 3.03Å; R265-D300 IonicContact NH2-OD2 2.77Å; R265-D300 PolarHBondContact NH2-OD2 3.43Å; P298-D300 PolarHBondContact O-N 3.43Å |
| 301 | S | 59.6 | Low | 84.7 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -88.8 | 125.8 | 167.2 | 47.9 | 0 | 0 | 0 | 0 | 110.1 | M274 P298 E303 | M274-S301 VanDerWaalsContact CE-CB 3.42Å; M274-S301 VanDerWaalsContact CE-OG 3.29Å; M274-S301 WeakPolarHBondContact CE-OG 3.44Å; P298-S301 PolarHBondContact O-N 3.29Å; P298-S301 PolarHBondContact O-OG 3.22Å; S301-E303 VanDerWaalsContact C-N 3.25Å; S301-E303 PolarHBondContact O-N 3.25Å |
| 302 | F | 70.4 | Confident | 84.5 | Confident | 111 Ų | 111 | 35 Ų | 35 | 49% | 0.487 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -57.3 | -32.3 | -172 | -59.3 | -82.9 | 0 | 0 | 0 | 114.3 | N332 D333 | F302-N332 WeakPolarHBondContact O-CA 3.34Å; F302-N332 WeakPolarHBondContact O-CB 3.35Å; F302-D333 HydrophobicContact CD1-CB 3.97Å; F302-D333 WeakPolarHBondContact CD1-OD2 3.21Å; F302-D333 PolarHBondContact O-N 3.13Å |
| 303 | E | 82.2 | Confident | 84.6 | Confident | 25 Ų | 25 | 33.6 Ų | 33.6 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -130.3 | 154 | 179.3 | -59.7 | -175.2 | 89.3 | 0 | 0 | 111.2 | M274 S301 L308 N332 H675 | M274-E303 WeakPolarHBondContact CE-O 2.96Å; S301-E303 VanDerWaalsContact C-N 3.25Å; S301-E303 PolarHBondContact O-N 3.25Å; E303-L308 HydrophobicContact CB-CD2 3.99Å; E303-L308 HydrophobicContact CB-CG 3.98Å; E303-L308 HydrophobicContact CG-CD2 4.46Å; E303-L308 VanDerWaalsContact OE2-CD2 3.29Å; E303-L308 WeakPolarHBondContact OE2-CD2 3.08Å; E303-N332 HydrophobicContact CG-CB 3.97Å; E303-H675 IonicContact OE2-CE1 2.78Å |
| 304 | S | 89.3 | Confident | 84.7 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | trans | -95.2 | 162 | 173.9 | 96.5 | 0 | 0 | 0 | 0 | 112.4 | L306 T307 L308 E330 | S304-L306 PolarHBondContact O-N 2.99Å; S304-L306 PolarHBondContact OG-N 2.92Å; S304-T307 PolarHBondContact O-N 2.9Å; S304-T307 PolarHBondContact OG-N 3.3Å; S304-T307 PolarHBondContact OG-OG1 2.97Å; S304-L308 WeakPolarHBondContact O-CG 3.36Å; S304-L308 PolarHBondContact O-N 3.37Å; S304-E330 WeakPolarHBondContact CB-OE2 3.2Å; S304-E330 PolarHBondContact OG-OE2 2.82Å | ||
| 305 | P | 93.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.1 | -33.8 | 176.6 | -25.7 | 35 | 0 | 0 | 0 | 113.5 | L273 M274 A277 I297 A309 L321 | L273-P305 HydrophobicContact CD2-CB 4.41Å; L273-P305 HydrophobicContact CD2-CG 4.16Å; L273-P305 HydrophobicContact CG-CB 4.33Å; L273-P305 HydrophobicContact CG-CG 4.31Å; M274-P305 HydrophobicContact CG-CG 4.26Å; A277-P305 HydrophobicContact CB-CB 4.01Å; A277-P305 WeakPolarHBondContact CB-O 3.08Å; I297-P305 HydrophobicContact CD1-CG 3.7Å; I297-P305 HydrophobicContact CG1-CG 4.28Å; P305-A309 VanDerWaalsContact O-CB 3.3Å; P305-A309 WeakPolarHBondContact O-CB 3.44Å; P305-A309 PolarHBondContact O-N 3.15Å; P305-L321 HydrophobicContact CB-CD1 4.09Å; P305-L321 HydrophobicContact CB-CD2 3.91Å; P305-L321 VanDerWaalsContact O-CD1 3.28Å; P305-L321 WeakPolarHBondContact O-CD1 3.25Å |
| 306 | L | 95.5 | Very high | 85.1 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.8 | -36.9 | 177.7 | -175.3 | 60.1 | 0 | 0 | 0 | 111.6 | S304 A309 A310 A318 L321 I322 A326 D327 I328 P338 L354 | S304-L306 PolarHBondContact O-N 2.99Å; S304-L306 PolarHBondContact OG-N 2.92Å; L306-A309 PolarHBondContact O-N 3.3Å; L306-A310 VanDerWaalsContact O-CB 3.25Å; L306-A310 WeakPolarHBondContact O-CB 3.26Å; L306-A310 PolarHBondContact O-N 3.14Å; L306-A318 HydrophobicContact CD1-CB 3.74Å; L306-L321 HydrophobicContact CD1-CB 4.36Å; L306-I322 HydrophobicContact CD1-CD1 4.18Å; L306-I322 HydrophobicContact CD1-CG1 3.98Å; L306-I322 HydrophobicContact CD2-CD1 4.37Å; L306-I322 HydrophobicContact CD2-CG1 3.9Å; L306-A326 HydrophobicContact CB-CB 4.09Å; L306-A326 HydrophobicContact CD2-CB 3.96Å; L306-A326 HydrophobicContact CG-CB 4.5Å; L306-D327 WeakPolarHBondContact CD2-O 3.41Å; L306-I328 HydrophobicContact CD2-CG1 4.29Å; L306-P338 HydrophobicContact CB-CG 4.26Å; L306-P338 HydrophobicContact CD2-CB 4.34Å; L306-P338 HydrophobicContact CD2-CG 3.98Å; L306-P338 HydrophobicContact CG-CB 4.04Å; L306-P338 HydrophobicContact CG-CG 3.82Å; L306-L354 HydrophobicContact CD2-CD2 4.47Å |
| 307 | T | 92.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.5 | -46.2 | 174.7 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | S304 A309 A310 C311 N332 E341 | S304-T307 PolarHBondContact O-N 2.9Å; S304-T307 PolarHBondContact OG-N 3.3Å; S304-T307 PolarHBondContact OG-OG1 2.97Å; T307-A309 PolarHBondContact O-N 2.99Å; T307-A310 WeakPolarHBondContact O-CB 3.45Å; T307-A310 PolarHBondContact O-N 3.48Å; T307-A310 VanDerWaalsContact O-N 3.08Å; T307-C311 WeakPolarHBondContact O-CB 3.26Å; T307-C311 PolarHBondContact O-N 3.27Å; T307-N332 HydrophobicContact CG2-CB 4.34Å; T307-E341 HydrophobicContact CG2-CG 3.67Å |
| 308 | L | 92.4 | Very high | 86.3 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 174.4 | -69.1 | 169.7 | 0 | 0 | 0 | 111.9 | M274 A277 M278 E303 S304 A310 C311 G312 | M274-L308 HydrophobicContact CB-CD1 3.63Å; M274-L308 HydrophobicContact CG-CD1 3.64Å; A277-L308 HydrophobicContact CB-CB 4.39Å; M278-L308 HydrophobicContact CB-CB 4.41Å; M278-L308 HydrophobicContact CB-CD1 4.47Å; M278-L308 HydrophobicContact CB-CD2 4.49Å; M278-L308 HydrophobicContact CG-CD2 4.11Å; M278-L308 HydrophobicContact SD-CD2 4.22Å; E303-L308 HydrophobicContact CB-CD2 3.99Å; E303-L308 HydrophobicContact CB-CG 3.98Å; E303-L308 HydrophobicContact CG-CD2 4.46Å; E303-L308 VanDerWaalsContact OE2-CD2 3.29Å; E303-L308 WeakPolarHBondContact OE2-CD2 3.08Å; S304-L308 WeakPolarHBondContact O-CG 3.36Å; S304-L308 PolarHBondContact O-N 3.37Å; L308-A310 PolarHBondContact O-N 3.04Å; L308-C311 PolarHBondContact O-N 3.34Å; L308-G312 PolarHBondContact O-N 3.1Å |
| 309 | A | 96.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -30.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P305 L306 T307 G313 H314 L317 A318 L321 | P305-A309 VanDerWaalsContact O-CB 3.3Å; P305-A309 WeakPolarHBondContact O-CB 3.44Å; P305-A309 PolarHBondContact O-N 3.15Å; L306-A309 PolarHBondContact O-N 3.3Å; T307-A309 PolarHBondContact O-N 2.99Å; A309-G313 PolarHBondContact O-N 2.86Å; A309-H314 HydrophobicContact CB-CB 4.31Å; A309-H314 PolarHBondContact O-N 3Å; A309-L317 HydrophobicContact CB-CB 4.48Å; A309-L317 HydrophobicContact CB-CG 4.4Å; A309-A318 HydrophobicContact CB-CB 4.36Å; A309-L321 HydrophobicContact CB-CD1 3.84Å |
| 310 | A | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -75.5 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L306 T307 L308 G312 G313 P338 E341 A342 H347 T350 L354 | L306-A310 VanDerWaalsContact O-CB 3.25Å; L306-A310 WeakPolarHBondContact O-CB 3.26Å; L306-A310 PolarHBondContact O-N 3.14Å; T307-A310 WeakPolarHBondContact O-CB 3.45Å; T307-A310 PolarHBondContact O-N 3.48Å; T307-A310 VanDerWaalsContact O-N 3.08Å; L308-A310 PolarHBondContact O-N 3.04Å; A310-G312 VanDerWaalsContact C-N 3.33Å; A310-G313 PolarHBondContact O-N 3.48Å; A310-P338 HydrophobicContact CB-CB 3.94Å; A310-P338 WeakPolarHBondContact CB-O 3.48Å; A310-E341 HydrophobicContact CB-CB 4.49Å; A310-A342 HydrophobicContact CB-CB 4.36Å; A310-H347 PolarHBondContact O-CD2 2.83Å; A310-H347 VanDerWaalsContact O-CD2 3.22Å; A310-T350 HydrophobicContact CB-CG2 4.29Å; A310-L354 HydrophobicContact CB-CD1 4.47Å |
| 311 | C | 92.6 | Very high | 91.5 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 20% | 0.196 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 173.2 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | T307 L308 G313 E341 H347 | T307-C311 WeakPolarHBondContact O-CB 3.26Å; T307-C311 PolarHBondContact O-N 3.27Å; L308-C311 PolarHBondContact O-N 3.34Å; C311-G313 VanDerWaalsContact C-N 3.32Å; C311-G313 PolarHBondContact O-N 2.95Å; C311-E341 HydrophobicContact CB-CB 4.3Å; C311-H347 PolarHBondContact O-CD2 3.05Å; C311-H347 PolarHBondContact O-NE2 3.33Å |
| 312 | G | 90.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 26.2 Ų | 26.2 | 10% | 0.103 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.9 | -20.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L308 A310 Q671 | L308-G312 PolarHBondContact O-N 3.1Å; A310-G312 VanDerWaalsContact C-N 3.33Å; G312-Q671 PolarHBondContact O-NE2 3.47Å |
| 313 | G | 94.4 | Very high | 94.5 | Very high | 21 Ų | 21 | 24 Ų | 24 | 22% | 0.216 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 22.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A309 A310 C311 T315 H347 | A309-G313 PolarHBondContact O-N 2.86Å; A310-G313 PolarHBondContact O-N 3.48Å; C311-G313 VanDerWaalsContact C-N 3.32Å; C311-G313 PolarHBondContact O-N 2.95Å; G313-T315 PolarHBondContact O-N 3.05Å; G313-H347 PolarHBondContact N-NE2 3.03Å |
| 314 | H | 96.9 | Very high | 95.2 | Very high | 21 Ų | 21 | 28 Ų | 28 | 10% | 0.097 | 16% | 0.16 | C | C | . | . | trans | -86 | 66.5 | -169 | -62 | -45.1 | 0 | 0 | 0 | 113.2 | A277 M278 G280 A309 E316 L317 A318 P672 | A277-H314 PolarHBondContact O-CD2 3.25Å; M278-H314 PolarHBondContact O-CD2 3.17Å; M278-H314 PolarHBondContact O-NE2 3.4Å; G280-H314 VanDerWaalsContact CA-CD2 3.46Å; G280-H314 WeakPolarHBondContact CA-CD2 3.46Å; G280-H314 WeakPolarHBondContact CA-NE2 3.26Å; G280-H314 PolarHBondContact N-NE2 3.04Å; A309-H314 HydrophobicContact CB-CB 4.31Å; A309-H314 PolarHBondContact O-N 3Å; H314-E316 VanDerWaalsContact C-N 3.27Å; H314-E316 PolarHBondContact O-N 3.02Å; H314-E316 VanDerWaalsContact O-N 3.1Å; H314-L317 HydrophobicContact CB-CB 3.8Å; H314-L317 CarbonylContact O-C 3.58Å; H314-L317 WeakPolarHBondContact O-CA 3.14Å; H314-L317 PolarHBondContact O-N 2.72Å; H314-A318 PolarHBondContact O-N 3.46Å; H314-P672 WeakPolarHBondContact CE1-CD 3.18Å; H314-P672 WeakPolarHBondContact NE2-CD 3.48Å; H314-P672 VanDerWaalsContact NE2-CG 3.35Å; H314-P672 WeakPolarHBondContact NE2-CG 3.46Å | ||
| 315 | T | 96.4 | Very high | 95.4 | Very high | 33 Ų | 33 | 29.9 Ų | 29.9 | 20% | 0.202 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -51 | -38.7 | -174.5 | -49.7 | 0 | 0 | 0 | 0 | 114.2 | G313 H319 E349 T350 L353 | G313-T315 PolarHBondContact O-N 3.05Å; T315-H319 VanDerWaalsContact O-CB 3.29Å; T315-H319 WeakPolarHBondContact O-CB 3.4Å; T315-H319 PolarHBondContact O-N 3.13Å; T315-E349 HydrophobicContact CG2-CB 4.24Å; T315-T350 PolarHBondContact OG1-N 3.03Å; T315-T350 PolarHBondContact OG1-OG1 3.16Å; T315-L353 HydrophobicContact CG2-CB 4.16Å; T315-L353 HydrophobicContact CG2-CD2 3.93Å; T315-L353 WeakPolarHBondContact O-CD2 3.49Å |
| 316 | E | 97.1 | Very high | 95.5 | Very high | 128 Ų | 128 | 30.3 Ų | 30.3 | 60% | 0.598 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -69.6 | -36.8 | 175.4 | -172.5 | 176.9 | 164.9 | 0 | 0 | 112.6 | V282 R286 H314 H319 L320 | V282-E316 HydrophobicContact CG1-CG 4.11Å; V282-E316 HydrophobicContact CG2-CB 4.37Å; V282-E316 HydrophobicContact CG2-CG 4.38Å; R286-E316 IonicContact NH2-OE1 3.97Å; H314-E316 VanDerWaalsContact C-N 3.27Å; H314-E316 PolarHBondContact O-N 3.02Å; H314-E316 VanDerWaalsContact O-N 3.1Å; E316-H319 PolarHBondContact O-N 3.16Å; E316-L320 WeakPolarHBondContact O-CB 3.33Å; E316-L320 PolarHBondContact O-N 2.95Å |
| 317 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -76.3 | -41.9 | -179.8 | -168.6 | 34.7 | 0 | 0 | 0 | 111.7 | A276 V282 A285 A309 H314 H319 L320 L321 | A276-L317 VanDerWaalsContact O-CD2 3.25Å; A276-L317 WeakPolarHBondContact O-CD2 3.37Å; V282-L317 HydrophobicContact CG2-CB 4.27Å; A285-L317 HydrophobicContact CB-CD1 3.45Å; A285-L317 VanDerWaalsContact CB-CD1 3.45Å; A285-L317 HydrophobicContact CB-CD2 4.33Å; A309-L317 HydrophobicContact CB-CB 4.48Å; A309-L317 HydrophobicContact CB-CG 4.4Å; H314-L317 HydrophobicContact CB-CB 3.8Å; H314-L317 CarbonylContact O-C 3.58Å; H314-L317 WeakPolarHBondContact O-CA 3.14Å; H314-L317 PolarHBondContact O-N 2.72Å; L317-H319 VanDerWaalsContact C-N 3.27Å; L317-H319 PolarHBondContact O-N 3.24Å; L317-L320 HydrophobicContact CD1-CB 4.3Å; L317-L320 HydrophobicContact CD1-CD2 4.01Å; L317-L320 WeakPolarHBondContact O-CB 3.27Å; L317-L320 PolarHBondContact O-N 2.94Å; L317-L320 VanDerWaalsContact O-N 3.09Å; L317-L321 HydrophobicContact CD1-CD1 4.25Å; L317-L321 HydrophobicContact CD1-CG 4.16Å; L317-L321 HydrophobicContact CG-CD1 4.19Å; L317-L321 WeakPolarHBondContact O-CB 3.13Å; L317-L321 VanDerWaalsContact O-CG 3.31Å; L317-L321 WeakPolarHBondContact O-CG 3.41Å; L317-L321 PolarHBondContact O-N 2.73Å |
| 318 | A | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.6 | -44.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L306 A309 H314 L320 L321 I322 L353 | L306-A318 HydrophobicContact CD1-CB 3.74Å; A309-A318 HydrophobicContact CB-CB 4.36Å; H314-A318 PolarHBondContact O-N 3.46Å; A318-L320 PolarHBondContact O-N 2.78Å; A318-L321 PolarHBondContact O-N 3.46Å; A318-I322 WeakPolarHBondContact O-CB 3.43Å; A318-I322 WeakPolarHBondContact O-CD1 3.24Å; A318-I322 WeakPolarHBondContact O-CG1 3.35Å; A318-I322 PolarHBondContact O-N 2.95Å; A318-L353 HydrophobicContact CB-CD2 3.98Å |
| 319 | H | 97.1 | Very high | 95.5 | Very high | 114 Ų | 114 | 39.1 Ų | 39.1 | 53% | 0.528 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.4 | -36.8 | 175.3 | -168.7 | 68.6 | 0 | 0 | 0 | 113 | T315 E316 L317 G323 L353 | T315-H319 VanDerWaalsContact O-CB 3.29Å; T315-H319 WeakPolarHBondContact O-CB 3.4Å; T315-H319 PolarHBondContact O-N 3.13Å; E316-H319 PolarHBondContact O-N 3.16Å; L317-H319 VanDerWaalsContact C-N 3.27Å; L317-H319 PolarHBondContact O-N 3.24Å; H319-G323 PolarHBondContact O-N 2.9Å; H319-L353 HydrophobicContact CB-CD1 4.41Å; H319-L353 HydrophobicContact CB-CD2 3.89Å |
| 320 | L | 97.2 | Very high | 95.2 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.3 | -47.5 | 174.5 | 179.3 | 61.6 | 0 | 0 | 0 | 111.9 | V282 R286 L289 E316 L317 A318 G323 Y324 | V282-L320 HydrophobicContact CG1-CD2 3.95Å; R286-L320 HydrophobicContact CB-CD2 3.98Å; L289-L320 HydrophobicContact CD1-CD2 4.32Å; L289-L320 HydrophobicContact CD1-CG 4.11Å; E316-L320 WeakPolarHBondContact O-CB 3.33Å; E316-L320 PolarHBondContact O-N 2.95Å; L317-L320 HydrophobicContact CD1-CB 4.3Å; L317-L320 HydrophobicContact CD1-CD2 4.01Å; L317-L320 WeakPolarHBondContact O-CB 3.27Å; L317-L320 PolarHBondContact O-N 2.94Å; L317-L320 VanDerWaalsContact O-N 3.09Å; A318-L320 PolarHBondContact O-N 2.78Å; L320-G323 CarbonylContact O-C 3.59Å; L320-G323 WeakPolarHBondContact O-CA 3.09Å; L320-G323 PolarHBondContact O-N 3.13Å; L320-G323 VanDerWaalsContact O-N 3.12Å; L320-Y324 HydrophobicContact CD1-CD2 3.94Å; L320-Y324 HydrophobicContact CD1-CE2 3.7Å; L320-Y324 WeakPolarHBondContact O-CD2 3.22Å; L320-Y324 PolarHBondContact O-N 3.31Å; L320-Y324 VanDerWaalsContact O-N 3.1Å |
| 321 | L | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 180 | -70.8 | 163.8 | 0 | 0 | 0 | 111.2 | L273 A277 L289 V295 P305 L306 A309 L317 A318 G323 Y324 G325 A326 | L273-L321 HydrophobicContact CD1-CD2 4.34Å; L273-L321 HydrophobicContact CD2-CD2 4.31Å; A277-L321 HydrophobicContact CB-CD1 4.32Å; L289-L321 HydrophobicContact CD1-CD2 4.18Å; V295-L321 HydrophobicContact CG2-CB 4.45Å; V295-L321 HydrophobicContact CG2-CD2 3.93Å; P305-L321 HydrophobicContact CB-CD1 4.09Å; P305-L321 HydrophobicContact CB-CD2 3.91Å; P305-L321 VanDerWaalsContact O-CD1 3.28Å; P305-L321 WeakPolarHBondContact O-CD1 3.25Å; L306-L321 HydrophobicContact CD1-CB 4.36Å; A309-L321 HydrophobicContact CB-CD1 3.84Å; L317-L321 HydrophobicContact CD1-CD1 4.25Å; L317-L321 HydrophobicContact CD1-CG 4.16Å; L317-L321 HydrophobicContact CG-CD1 4.19Å; L317-L321 WeakPolarHBondContact O-CB 3.13Å; L317-L321 VanDerWaalsContact O-CG 3.31Å; L317-L321 WeakPolarHBondContact O-CG 3.41Å; L317-L321 PolarHBondContact O-N 2.73Å; A318-L321 PolarHBondContact O-N 3.46Å; L321-G323 VanDerWaalsContact C-N 3.25Å; L321-G323 PolarHBondContact O-N 3.21Å; L321-Y324 CarbonylContact O-C 3.52Å; L321-Y324 PolarHBondContact O-N 3.15Å; L321-G325 PolarHBondContact O-N 3.23Å; L321-A326 VanDerWaalsContact C-CB 3.48Å; L321-A326 HydrophobicContact CB-CB 4.02Å; L321-A326 WeakPolarHBondContact O-CB 3.38Å; L321-A326 PolarHBondContact O-N 3.15Å |
| 322 | I | 96.4 | Very high | 94.5 | Very high | 28 Ų | 28 | 43 Ų | 43 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.3 | -42.7 | 171.1 | -70.1 | 167.7 | 0 | 0 | 0 | 110.7 | L306 A318 Y324 G325 I328 L354 V357 | L306-I322 HydrophobicContact CD1-CD1 4.18Å; L306-I322 HydrophobicContact CD1-CG1 3.98Å; L306-I322 HydrophobicContact CD2-CD1 4.37Å; L306-I322 HydrophobicContact CD2-CG1 3.9Å; A318-I322 WeakPolarHBondContact O-CB 3.43Å; A318-I322 WeakPolarHBondContact O-CD1 3.24Å; A318-I322 WeakPolarHBondContact O-CG1 3.35Å; A318-I322 PolarHBondContact O-N 2.95Å; I322-Y324 PolarHBondContact O-N 2.88Å; I322-G325 PolarHBondContact O-N 2.88Å; I322-I328 HydrophobicContact CG1-CG1 4.41Å; I322-L354 HydrophobicContact CD1-CD2 4.03Å; I322-V357 HydrophobicContact CD1-CG2 4.37Å; I322-V357 HydrophobicContact CG2-CG1 3.9Å; I322-V357 HydrophobicContact CG2-CG2 4.3Å |
| 323 | G | 95.9 | Very high | 94.2 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 68% | 0.68 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.5 | -20 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H319 L320 L321 | H319-G323 PolarHBondContact O-N 2.9Å; L320-G323 CarbonylContact O-C 3.59Å; L320-G323 WeakPolarHBondContact O-CA 3.09Å; L320-G323 PolarHBondContact O-N 3.13Å; L320-G323 VanDerWaalsContact O-N 3.12Å; L321-G323 VanDerWaalsContact C-N 3.25Å; L321-G323 PolarHBondContact O-N 3.21Å |
| 324 | Y | 96.7 | Very high | 93.5 | Very high | 109 Ų | 109 | 47.7 Ų | 47.7 | 43% | 0.427 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -98 | -2.2 | 173.6 | -87.3 | -104.8 | 0 | 0 | 0 | 113.7 | L289 L320 L321 I322 | L289-Y324 HydrophobicContact CB-CD1 3.75Å; L289-Y324 HydrophobicContact CB-CE1 3.63Å; L289-Y324 HydrophobicContact CB-CE2 4.47Å; L289-Y324 HydrophobicContact CB-CG 4.2Å; L289-Y324 HydrophobicContact CD1-CD1 4.42Å; L289-Y324 HydrophobicContact CD1-CD2 4.04Å; L289-Y324 HydrophobicContact CD1-CE2 4.42Å; L289-Y324 HydrophobicContact CD1-CG 4.02Å; L289-Y324 HydrophobicContact CD2-CD1 4.15Å; L289-Y324 HydrophobicContact CD2-CG 4.21Å; L289-Y324 HydrophobicContact CG-CD1 4.33Å; L289-Y324 HydrophobicContact CG-CG 4.39Å; L320-Y324 HydrophobicContact CD1-CD2 3.94Å; L320-Y324 HydrophobicContact CD1-CE2 3.7Å; L320-Y324 WeakPolarHBondContact O-CD2 3.22Å; L320-Y324 PolarHBondContact O-N 3.31Å; L320-Y324 VanDerWaalsContact O-N 3.1Å; L321-Y324 CarbonylContact O-C 3.52Å; L321-Y324 PolarHBondContact O-N 3.15Å; I322-Y324 PolarHBondContact O-N 2.88Å |
| 325 | G | 94.6 | Very high | 93.1 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 44% | 0.443 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 28.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | N296 L321 I322 | N296-G325 PolarHBondContact ND2-O 3.07Å; L321-G325 PolarHBondContact O-N 3.23Å; I322-G325 PolarHBondContact O-N 2.88Å |
| 326 | A | 95.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | trans | -53.8 | 136.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V295 N296 L306 L321 | V295-A326 HydrophobicContact CG2-CB 3.8Å; N296-A326 WeakPolarHBondContact OD1-CA 3.28Å; L306-A326 HydrophobicContact CB-CB 4.09Å; L306-A326 HydrophobicContact CD2-CB 3.96Å; L306-A326 HydrophobicContact CG-CB 4.5Å; L321-A326 VanDerWaalsContact C-CB 3.48Å; L321-A326 HydrophobicContact CB-CB 4.02Å; L321-A326 WeakPolarHBondContact O-CB 3.38Å; L321-A326 PolarHBondContact O-N 3.15Å | ||
| 327 | D | 92.8 | Very high | 92.7 | Very high | 86 Ų | 86 | 41 Ų | 41 | 46% | 0.46 | 24% | 0.235 | S | C | . | . | trans | -75.5 | 135.6 | 170.5 | -158.4 | -23.7 | 0 | 0 | 0 | 109.8 | N296 L306 E329 E330 | N296-D327 PolarHBondContact OD1-N 3.45Å; L306-D327 WeakPolarHBondContact CD2-O 3.41Å; D327-E329 PolarHBondContact OD1-N 3.24Å; D327-E330 HydrophobicContact CB-CB 4.22Å | ||
| 328 | I | 95.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 41 Ų | 41 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -93.3 | -22.4 | -171.2 | -61.7 | 171.5 | 0 | 0 | 0 | 110.7 | L306 I322 L354 V357 A359 | L306-I328 HydrophobicContact CD2-CG1 4.29Å; I322-I328 HydrophobicContact CG1-CG1 4.41Å; I328-L354 HydrophobicContact CG2-CD2 4.37Å; I328-V357 HydrophobicContact CD1-CB 4.27Å; I328-V357 HydrophobicContact CD1-CG1 3.42Å; I328-V357 VanDerWaalsContact CD1-CG1 3.42Å; I328-A359 HydrophobicContact CG2-CB 3.59Å |
| 329 | E | 92.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 34% | 0.341 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -106.6 | 12.3 | -179.6 | -53.4 | -58 | 145.5 | 0 | 0 | 112.4 | D327 A359 E360 | D327-E329 PolarHBondContact OD1-N 3.24Å; E329-A359 WeakPolarHBondContact OE1-CA 3.29Å; E329-E360 PolarHBondContact OE1-N 3.13Å |
| 330 | E | 89 | Confident | 92.6 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | trans | -65.2 | 138.3 | 169.8 | -173 | 164 | -131.7 | 0 | 0 | 109.8 | S304 D327 T337 P338 | S304-E330 WeakPolarHBondContact CB-OE2 3.2Å; S304-E330 PolarHBondContact OG-OE2 2.82Å; D327-E330 HydrophobicContact CB-CB 4.22Å; E330-T337 WeakPolarHBondContact O-CA 3.3Å; E330-P338 WeakPolarHBondContact O-CD 3.38Å | ||
| 331 | V | 88.6 | Confident | 92.4 | Very high | 68 Ų | 68 | 34.9 Ų | 34.9 | 41% | 0.412 | 21% | 0.206 | S | C | . | . | trans | -113.6 | 145.2 | -176.6 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | G335 Y336 T337 | V331-G335 WeakPolarHBondContact CG1-O 3.18Å; V331-Y336 VanDerWaalsContact CA-O 3.31Å; V331-Y336 WeakPolarHBondContact CA-O 3.48Å; V331-T337 HydrophobicContact CG1-CG2 3.73Å | ||
| 332 | N | 86.1 | Confident | 92.4 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | trans | -75.7 | -178.5 | 166.7 | 64.2 | 9 | 0 | 0 | 0 | 112 | F302 E303 T307 E334 G335 Y336 E341 | F302-N332 WeakPolarHBondContact O-CA 3.34Å; F302-N332 WeakPolarHBondContact O-CB 3.35Å; E303-N332 HydrophobicContact CG-CB 3.97Å; T307-N332 HydrophobicContact CG2-CB 4.34Å; N332-E334 VanDerWaalsContact C-N 3.3Å; N332-E334 PolarHBondContact O-N 2.89Å; N332-E334 PolarHBondContact OD1-N 3.25Å; N332-G335 WeakPolarHBondContact O-CA 3.19Å; N332-G335 PolarHBondContact O-N 2.99Å; N332-G335 PolarHBondContact OD1-N 3.4Å; N332-Y336 PolarHBondContact N-O 2.91Å; N332-Y336 WeakPolarHBondContact OD1-CA 3.43Å; N332-Y336 WeakPolarHBondContact OD1-CB 3.29Å; N332-Y336 PolarHBondContact OD1-N 3.09Å; N332-Y336 PolarHBondContact OD1-O 3.39Å; N332-E341 PolarHBondContact ND2-OE1 2.99Å | ||
| 333 | D | 83.9 | Confident | 92.4 | Very high | 98 Ų | 98 | 33.5 Ų | 33.5 | 52% | 0.524 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -28.8 | 177.8 | 66.9 | -37.1 | 0 | 0 | 0 | 113.9 | F302 G335 | F302-D333 HydrophobicContact CD1-CB 3.97Å; F302-D333 WeakPolarHBondContact CD1-OD2 3.21Å; F302-D333 PolarHBondContact O-N 3.13Å; D333-G335 PolarHBondContact O-N 3.4Å |
| 334 | E | 81.2 | Confident | 92.4 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.2 | 168.3 | -54.1 | -165.6 | 119.2 | 0 | 0 | 112.8 | N332 Y336 R344 N682 | N332-E334 VanDerWaalsContact C-N 3.3Å; N332-E334 PolarHBondContact O-N 2.89Å; N332-E334 PolarHBondContact OD1-N 3.25Å; E334-Y336 HydrophobicContact CB-CD2 3.5Å; E334-Y336 HydrophobicContact CB-CE2 3.48Å; E334-Y336 VanDerWaalsContact CB-CE2 3.48Å; E334-Y336 HydrophobicContact CB-CG 4.41Å; E334-Y336 HydrophobicContact CG-CD2 4.45Å; E334-Y336 HydrophobicContact CG-CE2 4.29Å; E334-Y336 WeakPolarHBondContact OE2-CE2 3.25Å; E334-R344 IonicContact OE2-CZ 2.65Å; E334-R344 VanDerWaalsContact OE2-CZ 3.32Å; E334-R344 IonicContact OE2-NH1 3.73Å; E334-R344 PolarHBondContact OE2-NH1 3.12Å; E334-R344 IonicContact OE2-NH2 3.98Å; E334-R344 PolarHBondContact OE2-NH2 3.32Å; E334-R344 VanDerWaalsContact OE2-NH2 3.09Å; E334-N682 PolarHBondContact OE1-ND2 3.26Å |
| 335 | G | 87.6 | Confident | 92.3 | Very high | 16 Ų | 16 | 31 Ų | 31 | 17% | 0.165 | 17% | 0.171 | C | C | . | . | trans | 84.6 | 12.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V331 N332 D333 | V331-G335 WeakPolarHBondContact CG1-O 3.18Å; N332-G335 WeakPolarHBondContact O-CA 3.19Å; N332-G335 PolarHBondContact O-N 2.99Å; N332-G335 PolarHBondContact OD1-N 3.4Å; D333-G335 PolarHBondContact O-N 3.4Å | ||
| 336 | Y | 91.7 | Very high | 92.3 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | trans | -88.3 | 133.7 | -178.6 | -59.9 | -50.7 | 0 | 0 | 0 | 112.8 | V331 N332 E334 M340 E341 T365 E370 L375 | V331-Y336 VanDerWaalsContact CA-O 3.31Å; V331-Y336 WeakPolarHBondContact CA-O 3.48Å; N332-Y336 PolarHBondContact N-O 2.91Å; N332-Y336 WeakPolarHBondContact OD1-CA 3.43Å; N332-Y336 WeakPolarHBondContact OD1-CB 3.29Å; N332-Y336 PolarHBondContact OD1-N 3.09Å; N332-Y336 PolarHBondContact OD1-O 3.39Å; E334-Y336 HydrophobicContact CB-CD2 3.5Å; E334-Y336 HydrophobicContact CB-CE2 3.48Å; E334-Y336 VanDerWaalsContact CB-CE2 3.48Å; E334-Y336 HydrophobicContact CB-CG 4.41Å; E334-Y336 HydrophobicContact CG-CD2 4.45Å; E334-Y336 HydrophobicContact CG-CE2 4.29Å; E334-Y336 WeakPolarHBondContact OE2-CE2 3.25Å; Y336-M340 HydrophobicContact CD1-CB 3.95Å; Y336-M340 HydrophobicContact CD1-CG 4.41Å; Y336-M340 HydrophobicContact CD1-SD 3.92Å; Y336-M340 HydrophobicContact CG-CB 4.21Å; Y336-E341 VanDerWaalsContact CD2-OE1 3.28Å; Y336-E341 WeakPolarHBondContact CD2-OE1 3.37Å; Y336-T365 HydrophobicContact CD1-CG2 3.53Å; Y336-T365 HydrophobicContact CE1-CG2 3.49Å; Y336-T365 VanDerWaalsContact CE1-CG2 3.49Å; Y336-E370 PolarHBondContact OH-OE2 2.85Å; Y336-L375 HydrophobicContact CD1-CD1 3.71Å; Y336-L375 HydrophobicContact CE1-CD1 3.58Å; Y336-L375 HydrophobicContact CE1-CD2 3.82Å; Y336-L375 HydrophobicContact CE1-CG 4.26Å | ||
| 337 | T | 94.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | trans | -78.4 | 162.9 | 167.7 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | E330 V331 L339 M340 E341 A363 | E330-T337 WeakPolarHBondContact O-CA 3.3Å; V331-T337 HydrophobicContact CG1-CG2 3.73Å; T337-L339 PolarHBondContact O-N 2.81Å; T337-M340 HydrophobicContact CG2-SD 4.44Å; T337-M340 PolarHBondContact N-SD 3.23Å; T337-M340 VanDerWaalsContact N-SD 3.4Å; T337-M340 WeakPolarHBondContact O-CA 3.36Å; T337-M340 WeakPolarHBondContact O-CB 3.45Å; T337-M340 PolarHBondContact O-N 3.04Å; T337-M340 PolarHBondContact OG1-N 2.84Å; T337-E341 PolarHBondContact O-N 3.48Å; T337-A363 HydrophobicContact CG2-CB 4.4Å | ||
| 338 | P | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -48 | -32.5 | 169.6 | -31.3 | 32.9 | 0 | 0 | 0 | 114.9 | L306 A310 E330 A342 L354 | L306-P338 HydrophobicContact CB-CG 4.26Å; L306-P338 HydrophobicContact CD2-CB 4.34Å; L306-P338 HydrophobicContact CD2-CG 3.98Å; L306-P338 HydrophobicContact CG-CB 4.04Å; L306-P338 HydrophobicContact CG-CG 3.82Å; A310-P338 HydrophobicContact CB-CB 3.94Å; A310-P338 WeakPolarHBondContact CB-O 3.48Å; E330-P338 WeakPolarHBondContact O-CD 3.38Å; P338-A342 WeakPolarHBondContact O-CB 3.46Å; P338-A342 PolarHBondContact O-N 3.09Å; P338-L354 HydrophobicContact CB-CD1 4.03Å; P338-L354 HydrophobicContact CB-CD2 4.17Å; P338-L354 WeakPolarHBondContact O-CD1 3.5Å |
| 339 | L | 97.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.3 | -36.2 | 176.1 | 179.3 | 64.2 | 0 | 0 | 0 | 112.1 | T337 A343 V351 L354 L355 A359 A372 L388 | T337-L339 PolarHBondContact O-N 2.81Å; L339-A343 WeakPolarHBondContact O-CB 3.39Å; L339-A343 PolarHBondContact O-N 3.33Å; L339-A343 VanDerWaalsContact O-N 3.08Å; L339-V351 HydrophobicContact CD1-CG1 4.1Å; L339-L354 HydrophobicContact CB-CD1 4.45Å; L339-L354 HydrophobicContact CD1-CB 4.15Å; L339-L355 HydrophobicContact CD1-CD2 3.96Å; L339-L355 HydrophobicContact CD1-CG 3.93Å; L339-L355 HydrophobicContact CD2-CD2 3.79Å; L339-A359 HydrophobicContact CB-CB 4.17Å; L339-A359 HydrophobicContact CD2-CB 3.97Å; L339-A372 HydrophobicContact CD2-CB 4.48Å; L339-A372 HydrophobicContact CG-CB 4.12Å; L339-L388 HydrophobicContact CD1-CD2 4.26Å; L339-L388 HydrophobicContact CD2-CD2 4.42Å |
| 340 | M | 95 | Very high | 92.8 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.9 | -44.2 | 174.9 | -71.6 | 164.6 | 173.2 | 0 | 0 | 111.3 | Y336 T337 A343 R344 A363 A372 L375 | Y336-M340 HydrophobicContact CD1-CB 3.95Å; Y336-M340 HydrophobicContact CD1-CG 4.41Å; Y336-M340 HydrophobicContact CD1-SD 3.92Å; Y336-M340 HydrophobicContact CG-CB 4.21Å; T337-M340 HydrophobicContact CG2-SD 4.44Å; T337-M340 PolarHBondContact N-SD 3.23Å; T337-M340 VanDerWaalsContact N-SD 3.4Å; T337-M340 WeakPolarHBondContact O-CA 3.36Å; T337-M340 WeakPolarHBondContact O-CB 3.45Å; T337-M340 PolarHBondContact O-N 3.04Å; T337-M340 PolarHBondContact OG1-N 2.84Å; M340-A343 CarbonylContact O-C 3.48Å; M340-A343 PolarHBondContact O-N 2.97Å; M340-R344 VanDerWaalsContact O-CB 3.27Å; M340-R344 WeakPolarHBondContact O-CB 3.31Å; M340-R344 PolarHBondContact O-N 3.08Å; M340-A363 HydrophobicContact CE-CB 3.84Å; M340-A363 WeakPolarHBondContact CE-O 3.22Å; M340-A372 HydrophobicContact CG-CB 4.23Å; M340-L375 HydrophobicContact CB-CD1 3.69Å; M340-L375 HydrophobicContact CG-CD1 4.04Å |
| 341 | E | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -48.8 | 175.5 | -73.9 | -56.2 | 156.4 | 0 | 0 | 112.7 | T307 A310 C311 N332 Y336 T337 A343 R344 E345 | T307-E341 HydrophobicContact CG2-CG 3.67Å; A310-E341 HydrophobicContact CB-CB 4.49Å; C311-E341 HydrophobicContact CB-CB 4.3Å; N332-E341 PolarHBondContact ND2-OE1 2.99Å; Y336-E341 VanDerWaalsContact CD2-OE1 3.28Å; Y336-E341 WeakPolarHBondContact CD2-OE1 3.37Å; T337-E341 PolarHBondContact O-N 3.48Å; E341-A343 PolarHBondContact O-N 3.3Å; E341-R344 PolarHBondContact O-N 3.35Å; E341-R344 VanDerWaalsContact O-N 3.1Å; E341-R344 IonicContact OE1-CZ 3.36Å; E341-R344 IonicContact OE1-NE 3.96Å; E341-R344 IonicContact OE1-NH2 3.81Å; E341-R344 PolarHBondContact OE1-NH2 2.84Å; E341-R344 IonicContact OE2-CZ 3.55Å; E341-R344 VanDerWaalsContact OE2-CZ 3.23Å; E341-R344 IonicContact OE2-NE 3.75Å; E341-R344 PolarHBondContact OE2-NE 3Å; E341-R344 IonicContact OE2-NH2 2.81Å; E341-R344 PolarHBondContact OE2-NH2 3.48Å; E341-E345 PolarHBondContact O-N 3.43Å |
| 342 | A | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -31.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A310 P338 G346 H347 T350 V351 L354 | A310-A342 HydrophobicContact CB-CB 4.36Å; P338-A342 WeakPolarHBondContact O-CB 3.46Å; P338-A342 PolarHBondContact O-N 3.09Å; A342-G346 PolarHBondContact O-N 2.98Å; A342-H347 PolarHBondContact O-N 3.01Å; A342-T350 HydrophobicContact CB-CG2 3.96Å; A342-V351 HydrophobicContact CB-CG2 3.66Å; A342-V351 WeakPolarHBondContact O-CG2 3.22Å; A342-L354 HydrophobicContact CB-CD1 4.08Å |
| 343 | A | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -79.6 | -32.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L339 M340 E341 V351 A372 A376 V384 L388 | L339-A343 WeakPolarHBondContact O-CB 3.39Å; L339-A343 PolarHBondContact O-N 3.33Å; L339-A343 VanDerWaalsContact O-N 3.08Å; M340-A343 CarbonylContact O-C 3.48Å; M340-A343 PolarHBondContact O-N 2.97Å; E341-A343 PolarHBondContact O-N 3.3Å; A343-V351 HydrophobicContact CB-CG2 4.37Å; A343-A372 HydrophobicContact CB-CB 3.86Å; A343-A372 WeakPolarHBondContact CB-O 3.29Å; A343-A376 HydrophobicContact CB-CB 4.33Å; A343-V384 HydrophobicContact CB-CG1 3.96Å; A343-L388 HydrophobicContact CB-CD1 4.29Å |
| 344 | R | 94.4 | Very high | 94.9 | Very high | 67 Ų | 67 | 27.4 Ų | 27.4 | 25% | 0.253 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -68.5 | -40.8 | 176.3 | -179.1 | 168.6 | 79.2 | 156 | -4.5 | 112.2 | E334 M340 E341 L375 F381 | E334-R344 IonicContact OE2-CZ 2.65Å; E334-R344 VanDerWaalsContact OE2-CZ 3.32Å; E334-R344 IonicContact OE2-NH1 3.73Å; E334-R344 PolarHBondContact OE2-NH1 3.12Å; E334-R344 IonicContact OE2-NH2 3.98Å; E334-R344 PolarHBondContact OE2-NH2 3.32Å; E334-R344 VanDerWaalsContact OE2-NH2 3.09Å; M340-R344 VanDerWaalsContact O-CB 3.27Å; M340-R344 WeakPolarHBondContact O-CB 3.31Å; M340-R344 PolarHBondContact O-N 3.08Å; E341-R344 PolarHBondContact O-N 3.35Å; E341-R344 VanDerWaalsContact O-N 3.1Å; E341-R344 IonicContact OE1-CZ 3.36Å; E341-R344 IonicContact OE1-NE 3.96Å; E341-R344 IonicContact OE1-NH2 3.81Å; E341-R344 PolarHBondContact OE1-NH2 2.84Å; E341-R344 IonicContact OE2-CZ 3.55Å; E341-R344 VanDerWaalsContact OE2-CZ 3.23Å; E341-R344 IonicContact OE2-NE 3.75Å; E341-R344 PolarHBondContact OE2-NE 3Å; E341-R344 IonicContact OE2-NH2 2.81Å; E341-R344 PolarHBondContact OE2-NH2 3.48Å; R344-L375 HydrophobicContact CB-CB 4.34Å; R344-F381 WeakPolarHBondContact O-CE2 3.44Å |
| 345 | E | 94.2 | Very high | 95.7 | Very high | 55 Ų | 55 | 27.8 Ų | 27.8 | 26% | 0.257 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -90.3 | -9.7 | 177.4 | -77.1 | -74.4 | 94.2 | 0 | 0 | 113.8 | E341 H347 R889 | E341-E345 PolarHBondContact O-N 3.43Å; E345-H347 WeakPolarHBondContact CB-NE2 3.35Å; E345-R889 IonicContact OE1-CZ 2.66Å; E345-R889 IonicContact OE1-NH1 2.63Å; E345-R889 PolarHBondContact OE1-NH1 2.97Å; E345-R889 IonicContact OE1-NH2 2.8Å; E345-R889 IonicContact OE2-CZ 3.4Å; E345-R889 IonicContact OE2-NH1 3.73Å; E345-R889 PolarHBondContact OE2-NH1 3.5Å; E345-R889 IonicContact OE2-NH2 3.23Å; E345-R889 PolarHBondContact OE2-NH2 3.32Å |
| 346 | G | 94.6 | Very high | 96.1 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 16% | 0.155 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 23 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A342 E348 | A342-G346 PolarHBondContact O-N 2.98Å; G346-E348 PolarHBondContact O-N 3.49Å |
| 347 | H | 96.8 | Very high | 96.2 | Very high | 43 Ų | 43 | 33.2 Ų | 33.2 | 20% | 0.199 | 19% | 0.185 | C | C | . | . | trans | -78.6 | 81.5 | -174.2 | -63.9 | -58 | 0 | 0 | 0 | 112.6 | A310 C311 G313 A342 E345 E349 T350 V351 | A310-H347 PolarHBondContact O-CD2 2.83Å; A310-H347 VanDerWaalsContact O-CD2 3.22Å; C311-H347 PolarHBondContact O-CD2 3.05Å; C311-H347 PolarHBondContact O-NE2 3.33Å; G313-H347 PolarHBondContact N-NE2 3.03Å; A342-H347 PolarHBondContact O-N 3.01Å; E345-H347 WeakPolarHBondContact CB-NE2 3.35Å; H347-E349 VanDerWaalsContact C-N 3.34Å; H347-E349 PolarHBondContact O-N 2.97Å; H347-T350 PolarHBondContact O-N 3.45Å; H347-V351 PolarHBondContact O-N 3.38Å | ||
| 348 | E | 97.4 | Very high | 96.2 | Very high | 101 Ų | 101 | 35.6 Ų | 35.6 | 47% | 0.472 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -46.5 | -48.5 | -175.1 | -71.1 | 179.8 | -131.3 | 0 | 0 | 114.6 | G346 T350 A352 E383 V384 M387 | G346-E348 PolarHBondContact O-N 3.49Å; E348-T350 VanDerWaalsContact C-N 3.35Å; E348-T350 PolarHBondContact O-N 2.99Å; E348-A352 WeakPolarHBondContact O-CB 3.48Å; E348-A352 PolarHBondContact O-N 3.09Å; E348-E383 HydrophobicContact CG-CB 4.34Å; E348-V384 HydrophobicContact CG-CG2 4.09Å; E348-M387 HydrophobicContact CB-CE 3.88Å; E348-M387 HydrophobicContact CG-CE 4.01Å |
| 349 | E | 96.8 | Very high | 96.3 | Very high | 147 Ų | 147 | 36 Ų | 36 | 69% | 0.687 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -68.3 | -34 | -177.8 | -64 | -170.2 | 174 | 0 | 0 | 112.6 | T315 H347 L353 | T315-E349 HydrophobicContact CG2-CB 4.24Å; H347-E349 VanDerWaalsContact C-N 3.34Å; H347-E349 PolarHBondContact O-N 2.97Å; E349-L353 WeakPolarHBondContact O-CB 3.49Å; E349-L353 PolarHBondContact O-N 3.18Å |
| 350 | T | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.1 | -41.4 | 178.7 | -47.5 | 0 | 0 | 0 | 0 | 111.1 | A310 T315 A342 H347 E348 A352 L353 L354 | A310-T350 HydrophobicContact CB-CG2 4.29Å; T315-T350 PolarHBondContact OG1-N 3.03Å; T315-T350 PolarHBondContact OG1-OG1 3.16Å; A342-T350 HydrophobicContact CB-CG2 3.96Å; H347-T350 PolarHBondContact O-N 3.45Å; E348-T350 VanDerWaalsContact C-N 3.35Å; E348-T350 PolarHBondContact O-N 2.99Å; T350-A352 VanDerWaalsContact C-N 3.34Å; T350-A352 PolarHBondContact O-N 3.38Å; T350-L353 WeakPolarHBondContact O-CB 3.26Å; T350-L353 PolarHBondContact O-N 2.99Å; T350-L354 HydrophobicContact CG2-CD1 4.15Å; T350-L354 WeakPolarHBondContact O-CG 3.42Å; T350-L354 PolarHBondContact O-N 3.23Å |
| 351 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 169.9 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | L339 A342 A343 H347 L353 L354 L355 V384 M387 L388 | L339-V351 HydrophobicContact CD1-CG1 4.1Å; A342-V351 HydrophobicContact CB-CG2 3.66Å; A342-V351 WeakPolarHBondContact O-CG2 3.22Å; A343-V351 HydrophobicContact CB-CG2 4.37Å; H347-V351 PolarHBondContact O-N 3.38Å; V351-L353 VanDerWaalsContact C-N 3.32Å; V351-L353 PolarHBondContact O-N 3.12Å; V351-L354 PolarHBondContact O-N 2.93Å; V351-L355 HydrophobicContact CG1-CD1 3.68Å; V351-L355 HydrophobicContact CG1-CG 4.3Å; V351-L355 WeakPolarHBondContact O-CB 3.41Å; V351-L355 VanDerWaalsContact O-CG 3.28Å; V351-L355 WeakPolarHBondContact O-CG 3.45Å; V351-L355 PolarHBondContact O-N 2.85Å; V351-V384 HydrophobicContact CG1-CG1 4.37Å; V351-V384 HydrophobicContact CG2-CG1 4.19Å; V351-M387 HydrophobicContact CB-CE 4.43Å; V351-M387 HydrophobicContact CG1-CE 4.28Å; V351-L388 HydrophobicContact CG1-CD2 4.44Å |
| 352 | A | 97.6 | Very high | 96.2 | Very high | 45 Ų | 45 | 43.6 Ų | 43.6 | 37% | 0.372 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | E348 T350 A356 M387 | E348-A352 WeakPolarHBondContact O-CB 3.48Å; E348-A352 PolarHBondContact O-N 3.09Å; T350-A352 VanDerWaalsContact C-N 3.34Å; T350-A352 PolarHBondContact O-N 3.38Å; A352-A356 WeakPolarHBondContact O-CB 3.27Å; A352-A356 PolarHBondContact O-N 3.33Å; A352-A356 VanDerWaalsContact O-N 3.11Å; A352-M387 HydrophobicContact CB-SD 4.17Å |
| 353 | L | 97.3 | Very high | 96 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 13% | 0.131 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -52.8 | 173.2 | 169.4 | 63.7 | 0 | 0 | 0 | 111.7 | T315 A318 H319 E349 T350 V351 L355 A356 V357 | T315-L353 HydrophobicContact CG2-CB 4.16Å; T315-L353 HydrophobicContact CG2-CD2 3.93Å; T315-L353 WeakPolarHBondContact O-CD2 3.49Å; A318-L353 HydrophobicContact CB-CD2 3.98Å; H319-L353 HydrophobicContact CB-CD1 4.41Å; H319-L353 HydrophobicContact CB-CD2 3.89Å; E349-L353 WeakPolarHBondContact O-CB 3.49Å; E349-L353 PolarHBondContact O-N 3.18Å; T350-L353 WeakPolarHBondContact O-CB 3.26Å; T350-L353 PolarHBondContact O-N 2.99Å; V351-L353 VanDerWaalsContact C-N 3.32Å; V351-L353 PolarHBondContact O-N 3.12Å; L353-L355 PolarHBondContact O-N 2.99Å; L353-A356 PolarHBondContact O-N 3.47Å; L353-A356 VanDerWaalsContact O-N 3.08Å; L353-V357 HydrophobicContact CD1-CG2 3.94Å; L353-V357 WeakPolarHBondContact O-CG2 3.33Å; L353-V357 PolarHBondContact O-N 3.1Å |
| 354 | L | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | -175.2 | -70.2 | 165 | 0 | 0 | 0 | 111.6 | L306 A310 I322 I328 P338 L339 A342 T350 V351 A356 V357 G358 A359 | L306-L354 HydrophobicContact CD2-CD2 4.47Å; A310-L354 HydrophobicContact CB-CD1 4.47Å; I322-L354 HydrophobicContact CD1-CD2 4.03Å; I328-L354 HydrophobicContact CG2-CD2 4.37Å; P338-L354 HydrophobicContact CB-CD1 4.03Å; P338-L354 HydrophobicContact CB-CD2 4.17Å; P338-L354 WeakPolarHBondContact O-CD1 3.5Å; L339-L354 HydrophobicContact CB-CD1 4.45Å; L339-L354 HydrophobicContact CD1-CB 4.15Å; A342-L354 HydrophobicContact CB-CD1 4.08Å; T350-L354 HydrophobicContact CG2-CD1 4.15Å; T350-L354 WeakPolarHBondContact O-CG 3.42Å; T350-L354 PolarHBondContact O-N 3.23Å; V351-L354 PolarHBondContact O-N 2.93Å; L354-A356 VanDerWaalsContact C-N 3.31Å; L354-A356 PolarHBondContact O-N 3.37Å; L354-V357 PolarHBondContact O-N 3.01Å; L354-G358 PolarHBondContact O-N 3.27Å; L354-A359 HydrophobicContact CB-CB 4.22Å; L354-A359 WeakPolarHBondContact O-CB 3.47Å; L354-A359 PolarHBondContact O-N 3.08Å |
| 355 | L | 97.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.8 | -34.6 | 172.8 | -66.6 | 172.9 | 0 | 0 | 0 | 112.7 | L339 V351 L353 G358 V361 M387 L388 A391 | L339-L355 HydrophobicContact CD1-CD2 3.96Å; L339-L355 HydrophobicContact CD1-CG 3.93Å; L339-L355 HydrophobicContact CD2-CD2 3.79Å; V351-L355 HydrophobicContact CG1-CD1 3.68Å; V351-L355 HydrophobicContact CG1-CG 4.3Å; V351-L355 WeakPolarHBondContact O-CB 3.41Å; V351-L355 VanDerWaalsContact O-CG 3.28Å; V351-L355 WeakPolarHBondContact O-CG 3.45Å; V351-L355 PolarHBondContact O-N 2.85Å; L353-L355 PolarHBondContact O-N 2.99Å; L355-G358 PolarHBondContact O-N 2.83Å; L355-V361 HydrophobicContact CD2-CB 4.04Å; L355-V361 HydrophobicContact CD2-CG2 3.84Å; L355-M387 HydrophobicContact CD1-CB 4.49Å; L355-L388 HydrophobicContact CD1-CD2 4.23Å; L355-L388 HydrophobicContact CD2-CD2 4.29Å; L355-A391 HydrophobicContact CD1-CB 4.03Å; L355-A391 HydrophobicContact CD2-CB 3.99Å; L355-A391 HydrophobicContact CG-CB 4.48Å |
| 356 | A | 96.3 | Very high | 94.7 | Very high | 86 Ų | 86 | 52.4 Ų | 52.4 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -76.5 | -24.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A352 L353 L354 | A352-A356 WeakPolarHBondContact O-CB 3.27Å; A352-A356 PolarHBondContact O-N 3.33Å; A352-A356 VanDerWaalsContact O-N 3.11Å; L353-A356 PolarHBondContact O-N 3.47Å; L353-A356 VanDerWaalsContact O-N 3.08Å; L354-A356 VanDerWaalsContact C-N 3.31Å; L354-A356 PolarHBondContact O-N 3.37Å |
| 357 | V | 95.1 | Very high | 93.8 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -82.1 | -29.2 | 171.9 | -178 | 0 | 0 | 0 | 0 | 111.1 | I322 I328 L353 L354 | I322-V357 HydrophobicContact CD1-CG2 4.37Å; I322-V357 HydrophobicContact CG2-CG1 3.9Å; I322-V357 HydrophobicContact CG2-CG2 4.3Å; I328-V357 HydrophobicContact CD1-CB 4.27Å; I328-V357 HydrophobicContact CD1-CG1 3.42Å; I328-V357 VanDerWaalsContact CD1-CG1 3.42Å; L353-V357 HydrophobicContact CD1-CG2 3.94Å; L353-V357 WeakPolarHBondContact O-CG2 3.33Å; L353-V357 PolarHBondContact O-N 3.1Å; L354-V357 PolarHBondContact O-N 3.01Å |
| 358 | G | 94.6 | Very high | 92.9 | Very high | 55 Ų | 55 | 62.5 Ų | 62.5 | 57% | 0.567 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.6 | 31.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L354 L355 | L354-G358 PolarHBondContact O-N 3.27Å; L355-G358 PolarHBondContact O-N 2.83Å |
| 359 | A | 96.8 | Very high | 92.4 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | trans | -57.7 | 143.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I328 E329 L339 L354 V361 | I328-A359 HydrophobicContact CG2-CB 3.59Å; E329-A359 WeakPolarHBondContact OE1-CA 3.29Å; L339-A359 HydrophobicContact CB-CB 4.17Å; L339-A359 HydrophobicContact CD2-CB 3.97Å; L354-A359 HydrophobicContact CB-CB 4.22Å; L354-A359 WeakPolarHBondContact O-CB 3.47Å; L354-A359 PolarHBondContact O-N 3.08Å; A359-V361 PolarHBondContact O-N 2.92Å | ||
| 360 | E | 95.8 | Very high | 92 | Very high | 99 Ų | 99 | 55.9 Ų | 55.9 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | trans | -73.5 | 100.1 | -178.8 | 178.4 | 50.1 | -98.2 | 0 | 0 | 111.5 | E329 N362 A363 | E329-E360 PolarHBondContact OE1-N 3.13Å; E360-N362 PolarHBondContact O-N 3.42Å; E360-N362 VanDerWaalsContact O-N 3.09Å; E360-N362 PolarHBondContact OE1-N 3.06Å; E360-A363 HydrophobicContact CB-CB 4.4Å; E360-A363 HydrophobicContact CG-CB 4.32Å; E360-A363 VanDerWaalsContact O-CB 3.28Å; E360-A363 WeakPolarHBondContact O-CB 3.06Å; E360-A363 PolarHBondContact O-N 3.47Å | ||
| 361 | V | 95.4 | Very high | 91.8 | Very high | 14 Ų | 14 | 56 Ų | 56 | 9% | 0.085 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.3 | -176.3 | 74.2 | 0 | 0 | 0 | 0 | 114.1 | L355 A359 L388 A391 A393 | L355-V361 HydrophobicContact CD2-CB 4.04Å; L355-V361 HydrophobicContact CD2-CG2 3.84Å; A359-V361 PolarHBondContact O-N 2.92Å; V361-L388 HydrophobicContact CG2-CB 4.36Å; V361-L388 HydrophobicContact CG2-CD2 3.75Å; V361-A391 HydrophobicContact CG2-CB 4.27Å; V361-A393 HydrophobicContact CG2-CB 3.91Å |
| 362 | N | 93.2 | Very high | 91.6 | Very high | 49 Ų | 49 | 56.1 Ų | 56.1 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 18.7 | 176.7 | -61.2 | -77.8 | 0 | 0 | 0 | 113.9 | E360 G392 A393 D394 | E360-N362 PolarHBondContact O-N 3.42Å; E360-N362 VanDerWaalsContact O-N 3.09Å; E360-N362 PolarHBondContact OE1-N 3.06Å; N362-G392 PolarHBondContact ND2-O 3.18Å; N362-A393 WeakPolarHBondContact OD1-CA 3.44Å; N362-D394 PolarHBondContact OD1-N 2.87Å |
| 363 | A | 92.1 | Very high | 91.5 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | trans | -56.7 | 155.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T337 M340 E360 | T337-A363 HydrophobicContact CG2-CB 4.4Å; M340-A363 HydrophobicContact CE-CB 3.84Å; M340-A363 WeakPolarHBondContact CE-O 3.22Å; E360-A363 HydrophobicContact CB-CB 4.4Å; E360-A363 HydrophobicContact CG-CB 4.32Å; E360-A363 VanDerWaalsContact O-CB 3.28Å; E360-A363 WeakPolarHBondContact O-CB 3.06Å; E360-A363 PolarHBondContact O-N 3.47Å | ||
| 364 | R | 89.7 | Confident | 91.3 | Very high | 104 Ų | 104 | 53.1 Ų | 53.1 | 39% | 0.392 | 29% | 0.293 | S | S | . | . | trans | -140.2 | 139.9 | 178.9 | -57.7 | -177.5 | -156.1 | 170.7 | 0.5 | 113 | E370 T371 V397 | R364-E370 VanDerWaalsContact CA-O 3.26Å; R364-E370 WeakPolarHBondContact CA-O 3.2Å; R364-T371 HydrophobicContact CG-CG2 4.07Å; R364-V397 VanDerWaalsContact NH2-CG1 3.29Å | ||
| 365 | T | 87.3 | Confident | 91.1 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | trans | -53.4 | 142.4 | 159.9 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | Y336 T368 Q369 E370 | Y336-T365 HydrophobicContact CD1-CG2 3.53Å; Y336-T365 HydrophobicContact CE1-CG2 3.49Å; Y336-T365 VanDerWaalsContact CE1-CG2 3.49Å; T365-T368 PolarHBondContact OG1-OG1 2.93Å; T365-Q369 PolarHBondContact O-N 3.37Å; T365-Q369 PolarHBondContact O-NE2 2.98Å; T365-Q369 VanDerWaalsContact O-NE2 3.17Å; T365-Q369 WeakPolarHBondContact OG1-CA 3.12Å; T365-Q369 PolarHBondContact OG1-N 3.49Å; T365-E370 HydrophobicContact CG2-CB 4.27Å; T365-E370 PolarHBondContact N-O 3.37Å; T365-E370 PolarHBondContact OG1-N 3.24Å | ||
| 366 | E | 81.4 | Confident | 91 | Very high | 182 Ų | 182 | 52 Ų | 52 | 85% | 0.85 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -43.8 | 177.3 | -64.7 | -154 | 150.8 | 0 | 0 | 112.5 | Q369 | E366-Q369 PolarHBondContact O-NE2 3.15Š|
| 367 | E | 76 | Confident | 91 | Very high | 193 Ų | 193 | 47.9 Ų | 47.9 | 90% | 0.902 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -52.6 | -170.7 | -57.3 | -152.2 | 158 | 0 | 0 | 114.4 | ||
| 368 | T | 79 | Confident | 90.8 | Very high | 77 Ų | 77 | 47.1 Ų | 47.1 | 47% | 0.472 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -14.7 | -174.5 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | T365 E370 | T365-T368 PolarHBondContact OG1-OG1 2.93Å; T368-E370 WeakPolarHBondContact CB-OE2 3.41Å; T368-E370 PolarHBondContact O-N 2.87Å; T368-E370 WeakPolarHBondContact OG1-CG 3.15Å; T368-E370 PolarHBondContact OG1-OE2 3.09Å |
| 369 | Q | 85.7 | Confident | 90.6 | Very high | 59 Ų | 59 | 46.2 Ų | 46.2 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | trans | 58.5 | 25.3 | -171.2 | -62.9 | -69.2 | -66.3 | 0 | 0 | 114.7 | T365 E366 C402 | T365-Q369 PolarHBondContact O-N 3.37Å; T365-Q369 PolarHBondContact O-NE2 2.98Å; T365-Q369 VanDerWaalsContact O-NE2 3.17Å; T365-Q369 WeakPolarHBondContact OG1-CA 3.12Å; T365-Q369 PolarHBondContact OG1-N 3.49Å; E366-Q369 PolarHBondContact O-NE2 3.15Å; Q369-C402 HydrophobicContact CB-CB 4.36Å | ||
| 370 | E | 88.4 | Confident | 90.4 | Very high | 50 Ų | 50 | 46.7 Ų | 46.7 | 23% | 0.234 | 25% | 0.247 | C | C | . | . | trans | -71.2 | 158.4 | 176 | -73 | 172.4 | 106.4 | 0 | 0 | 113 | Y336 R364 T365 T368 L375 | Y336-E370 PolarHBondContact OH-OE2 2.85Å; R364-E370 VanDerWaalsContact CA-O 3.26Å; R364-E370 WeakPolarHBondContact CA-O 3.2Å; T365-E370 HydrophobicContact CG2-CB 4.27Å; T365-E370 PolarHBondContact N-O 3.37Å; T365-E370 PolarHBondContact OG1-N 3.24Å; T368-E370 WeakPolarHBondContact CB-OE2 3.41Å; T368-E370 PolarHBondContact O-N 2.87Å; T368-E370 WeakPolarHBondContact OG1-CG 3.15Å; T368-E370 PolarHBondContact OG1-OE2 3.09Å; E370-L375 WeakPolarHBondContact OE1-CD2 3.31Å | ||
| 371 | T | 92.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | trans | -129.4 | 164.7 | 177.7 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | R364 L373 T374 L375 V397 | R364-T371 HydrophobicContact CG-CG2 4.07Å; T371-L373 PolarHBondContact O-N 3.34Å; T371-L373 VanDerWaalsContact O-N 3.08Å; T371-L373 PolarHBondContact OG1-N 2.96Å; T371-T374 PolarHBondContact N-OG1 3.25Å; T371-T374 PolarHBondContact O-N 3.35Å; T371-T374 VanDerWaalsContact O-N 3.13Å; T371-T374 PolarHBondContact O-OG1 3.47Å; T371-T374 PolarHBondContact OG1-N 2.93Å; T371-T374 PolarHBondContact OG1-OG1 3.12Å; T371-L375 VanDerWaalsContact O-CG 3.31Å; T371-L375 WeakPolarHBondContact O-CG 3.39Å; T371-L375 PolarHBondContact O-N 3.34Å; T371-V397 HydrophobicContact CG2-CG1 3.95Å; T371-V397 VanDerWaalsContact CG2-O 3.24Å; T371-V397 WeakPolarHBondContact CG2-O 3.47Å | ||
| 372 | A | 95 | Very high | 90.5 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -52.7 | -30.3 | 168 | 0 | 0 | 0 | 0 | 0 | 112.8 | L339 M340 A343 A376 L388 | L339-A372 HydrophobicContact CD2-CB 4.48Å; L339-A372 HydrophobicContact CG-CB 4.12Å; M340-A372 HydrophobicContact CG-CB 4.23Å; A343-A372 HydrophobicContact CB-CB 3.86Å; A343-A372 WeakPolarHBondContact CB-O 3.29Å; A372-A376 WeakPolarHBondContact O-CB 3.33Å; A372-A376 PolarHBondContact O-N 3.25Å; A372-L388 HydrophobicContact CB-CD1 3.98Å; A372-L388 HydrophobicContact CB-CD2 3.92Å; A372-L388 WeakPolarHBondContact O-CD1 3.25Å |
| 373 | L | 95.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -78.3 | -35.2 | 179 | -176.3 | 62.8 | 0 | 0 | 0 | 113.4 | T371 A377 C385 L388 L389 A393 P405 | T371-L373 PolarHBondContact O-N 3.34Å; T371-L373 VanDerWaalsContact O-N 3.08Å; T371-L373 PolarHBondContact OG1-N 2.96Å; L373-A377 WeakPolarHBondContact O-CB 3.47Å; L373-A377 PolarHBondContact O-N 3.19Å; L373-A377 VanDerWaalsContact O-N 3.08Å; L373-C385 HydrophobicContact CD1-CB 3.91Å; L373-L388 HydrophobicContact CB-CD1 4.32Å; L373-L388 HydrophobicContact CD1-CB 4.28Å; L373-L388 HydrophobicContact CD1-CD1 4.41Å; L373-L389 HydrophobicContact CD1-CG 4.09Å; L373-L389 HydrophobicContact CD2-CD2 3.72Å; L373-L389 HydrophobicContact CD2-CG 4.16Å; L373-A393 HydrophobicContact CB-CB 4.25Å; L373-A393 HydrophobicContact CD2-CB 3.86Å; L373-P405 HydrophobicContact CB-CG 4.41Å; L373-P405 HydrophobicContact CD2-CB 4.44Å; L373-P405 HydrophobicContact CD2-CG 3.8Å; L373-P405 HydrophobicContact CG-CB 4.11Å; L373-P405 HydrophobicContact CG-CG 3.7Å |
| 374 | T | 92.7 | Very high | 90.9 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.8 | -42.4 | 173.7 | 53.4 | 0 | 0 | 0 | 0 | 111 | T371 A377 C378 P405 | T371-T374 PolarHBondContact N-OG1 3.25Å; T371-T374 PolarHBondContact O-N 3.35Å; T371-T374 VanDerWaalsContact O-N 3.13Å; T371-T374 PolarHBondContact O-OG1 3.47Å; T371-T374 PolarHBondContact OG1-N 2.93Å; T371-T374 PolarHBondContact OG1-OG1 3.12Å; T374-A377 PolarHBondContact O-N 2.96Å; T374-A377 VanDerWaalsContact O-N 3.11Å; T374-C378 PolarHBondContact O-N 3.15Å; T374-P405 HydrophobicContact CG2-CG 3.86Å |
| 375 | L | 92.7 | Very high | 91.2 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -49.8 | 176.6 | -64.9 | 166.9 | 0 | 0 | 0 | 111.5 | Y336 M340 R344 E370 T371 A377 C378 G379 | Y336-L375 HydrophobicContact CD1-CD1 3.71Å; Y336-L375 HydrophobicContact CE1-CD1 3.58Å; Y336-L375 HydrophobicContact CE1-CD2 3.82Å; Y336-L375 HydrophobicContact CE1-CG 4.26Å; M340-L375 HydrophobicContact CB-CD1 3.69Å; M340-L375 HydrophobicContact CG-CD1 4.04Å; R344-L375 HydrophobicContact CB-CB 4.34Å; E370-L375 WeakPolarHBondContact OE1-CD2 3.31Å; T371-L375 VanDerWaalsContact O-CG 3.31Å; T371-L375 WeakPolarHBondContact O-CG 3.39Å; T371-L375 PolarHBondContact O-N 3.34Å; L375-A377 PolarHBondContact O-N 2.8Å; L375-C378 PolarHBondContact O-N 3.23Å; L375-G379 PolarHBondContact O-N 3.21Å |
| 376 | A | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -31.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A343 A372 G380 F381 V384 C385 L388 | A343-A376 HydrophobicContact CB-CB 4.33Å; A372-A376 WeakPolarHBondContact O-CB 3.33Å; A372-A376 PolarHBondContact O-N 3.25Å; A376-G380 PolarHBondContact O-N 2.83Å; A376-F381 PolarHBondContact O-N 3.36Å; A376-V384 HydrophobicContact CB-CB 4.26Å; A376-V384 HydrophobicContact CB-CG1 3.67Å; A376-C385 VanDerWaalsContact C-SG 3.6Å; A376-L388 HydrophobicContact CB-CD1 4.13Å |
| 377 | A | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -77.2 | -32.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | L373 T374 L375 G380 P405 E408 H414 L417 | L373-A377 WeakPolarHBondContact O-CB 3.47Å; L373-A377 PolarHBondContact O-N 3.19Å; L373-A377 VanDerWaalsContact O-N 3.08Å; T374-A377 PolarHBondContact O-N 2.96Å; T374-A377 VanDerWaalsContact O-N 3.11Å; L375-A377 PolarHBondContact O-N 2.8Å; A377-G380 PolarHBondContact O-N 2.88Å; A377-P405 HydrophobicContact CB-CB 3.9Å; A377-E408 HydrophobicContact CB-CB 4.37Å; A377-H414 PolarHBondContact O-CD2 2.97Å; A377-H414 VanDerWaalsContact O-CD2 3.3Å; A377-L417 HydrophobicContact CB-CD2 3.89Å |
| 378 | C | 91.9 | Very high | 93.4 | Very high | 50 Ų | 50 | 30 Ų | 30 | 34% | 0.338 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.6 | -46.6 | 168.2 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | T374 L375 G380 E408 H414 | T374-C378 PolarHBondContact O-N 3.15Å; L375-C378 PolarHBondContact O-N 3.23Å; C378-G380 PolarHBondContact O-N 2.68Å; C378-E408 HydrophobicContact CB-CB 4.23Å; C378-H414 PolarHBondContact O-NE2 3.34Å |
| 379 | G | 89.4 | Confident | 94.2 | Very high | 37 Ų | 37 | 27.7 Ų | 27.7 | 38% | 0.381 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.2 | -17.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L375 | L375-G379 PolarHBondContact O-N 3.21Å |
| 380 | G | 93.8 | Very high | 94.6 | Very high | 20 Ų | 20 | 29.9 Ų | 29.9 | 21% | 0.206 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 18.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A376 A377 C378 I382 H414 | A376-G380 PolarHBondContact O-N 2.83Å; A377-G380 PolarHBondContact O-N 2.88Å; C378-G380 PolarHBondContact O-N 2.68Å; G380-I382 PolarHBondContact O-N 3.42Å; G380-H414 PolarHBondContact N-NE2 2.75Å |
| 381 | F | 96.4 | Very high | 95 | Very high | 66 Ų | 66 | 30.1 Ų | 30.1 | 29% | 0.289 | 18% | 0.177 | S | C | . | . | trans | -77.4 | 79.4 | -174.7 | -59.2 | -66 | 0 | 0 | 0 | 111.7 | R344 A376 E383 V384 C385 | R344-F381 WeakPolarHBondContact O-CE2 3.44Å; A376-F381 PolarHBondContact O-N 3.36Å; F381-E383 VanDerWaalsContact C-N 3.29Å; F381-E383 PolarHBondContact O-N 3.42Å; F381-V384 HydrophobicContact CB-CB 3.84Å; F381-V384 HydrophobicContact CB-CG2 4.01Å; F381-V384 PolarHBondContact O-N 2.79Å; F381-C385 PolarHBondContact O-N 3.48Å; F381-C385 PolarHBondContact O-SG 3.22Å; F381-C385 VanDerWaalsContact O-SG 3.41Å | ||
| 382 | I | 95.8 | Very high | 95 | Very high | 41 Ų | 41 | 32 Ų | 32 | 21% | 0.21 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -51.3 | -46.2 | -174.7 | -62.5 | 171.3 | 0 | 0 | 0 | 112.1 | G380 V384 C385 E386 E416 L417 | G380-I382 PolarHBondContact O-N 3.42Å; I382-V384 PolarHBondContact O-N 3.21Å; I382-C385 PolarHBondContact O-N 3.27Å; I382-E386 HydrophobicContact CG2-CG 4.43Å; I382-E386 WeakPolarHBondContact O-CB 3.41Å; I382-E386 WeakPolarHBondContact O-CG 3.37Å; I382-E386 PolarHBondContact O-N 2.93Å; I382-E416 HydrophobicContact CD1-CB 4.11Å; I382-E416 HydrophobicContact CD1-CG 4.04Å; I382-L417 HydrophobicContact CG1-CB 4.08Å; I382-L417 HydrophobicContact CG1-CD1 4.35Å |
| 383 | E | 96.2 | Very high | 95 | Very high | 108 Ų | 108 | 32.3 Ų | 32.3 | 51% | 0.505 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 179.6 | -74.8 | 64.8 | -153.3 | 0 | 0 | 112.1 | E348 F381 M387 | E348-E383 HydrophobicContact CG-CB 4.34Å; F381-E383 VanDerWaalsContact C-N 3.29Å; F381-E383 PolarHBondContact O-N 3.42Å; E383-M387 WeakPolarHBondContact O-CG 3.43Å; E383-M387 PolarHBondContact O-N 3.45Å |
| 384 | V | 97.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.3 | -46.1 | 175.3 | 174 | 0 | 0 | 0 | 0 | 111 | A343 E348 V351 A376 F381 I382 E386 M387 L388 | A343-V384 HydrophobicContact CB-CG1 3.96Å; E348-V384 HydrophobicContact CG-CG2 4.09Å; V351-V384 HydrophobicContact CG1-CG1 4.37Å; V351-V384 HydrophobicContact CG2-CG1 4.19Å; A376-V384 HydrophobicContact CB-CB 4.26Å; A376-V384 HydrophobicContact CB-CG1 3.67Å; F381-V384 HydrophobicContact CB-CB 3.84Å; F381-V384 HydrophobicContact CB-CG2 4.01Å; F381-V384 PolarHBondContact O-N 2.79Å; I382-V384 PolarHBondContact O-N 3.21Å; V384-E386 VanDerWaalsContact C-N 3.3Å; V384-E386 PolarHBondContact O-N 3.48Å; V384-M387 HydrophobicContact CG2-CE 4.24Å; V384-M387 PolarHBondContact O-N 2.85Å; V384-M387 VanDerWaalsContact O-N 3.14Å; V384-L388 HydrophobicContact CG1-CD1 3.86Å; V384-L388 HydrophobicContact CG1-CG 4.36Å; V384-L388 VanDerWaalsContact O-CG 3.31Å; V384-L388 WeakPolarHBondContact O-CG 3.44Å; V384-L388 PolarHBondContact O-N 3.34Å |
| 385 | C | 96.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.2 | -43.3 | 174.2 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | L373 A376 F381 I382 L388 L389 L417 | L373-C385 HydrophobicContact CD1-CB 3.91Å; A376-C385 VanDerWaalsContact C-SG 3.6Å; F381-C385 PolarHBondContact O-N 3.48Å; F381-C385 PolarHBondContact O-SG 3.22Å; F381-C385 VanDerWaalsContact O-SG 3.41Å; I382-C385 PolarHBondContact O-N 3.27Å; C385-L388 PolarHBondContact O-N 3.08Å; C385-L389 VanDerWaalsContact O-CB 3.31Å; C385-L389 WeakPolarHBondContact O-CB 3.28Å; C385-L389 WeakPolarHBondContact O-CD1 3.5Å; C385-L389 WeakPolarHBondContact O-CG 3.4Å; C385-L389 PolarHBondContact O-N 2.89Å; C385-L417 HydrophobicContact CB-CD1 3.94Å |
| 386 | E | 96.5 | Very high | 94.4 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 175.4 | -78.9 | -77.5 | 167 | 0 | 0 | 111.7 | I382 V384 N390 R424 | I382-E386 HydrophobicContact CG2-CG 4.43Å; I382-E386 WeakPolarHBondContact O-CB 3.41Å; I382-E386 WeakPolarHBondContact O-CG 3.37Å; I382-E386 PolarHBondContact O-N 2.93Å; V384-E386 VanDerWaalsContact C-N 3.3Å; V384-E386 PolarHBondContact O-N 3.48Å; E386-N390 VanDerWaalsContact O-CB 3.28Å; E386-N390 WeakPolarHBondContact O-CB 3.29Å; E386-N390 PolarHBondContact O-N 3.48Å; E386-N390 PolarHBondContact O-ND2 3.2Å; E386-R424 IonicContact OE1-NE 2.83Å; E386-R424 IonicContact OE2-CZ 3.88Å; E386-R424 IonicContact OE2-NE 3.67Å; E386-R424 IonicContact OE2-NH2 3.36Å; E386-R424 PolarHBondContact OE2-NH2 3.05Å |
| 387 | M | 96.5 | Very high | 93 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 26% | 0.256 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 174.1 | -76.5 | -169.4 | -67.8 | 0 | 0 | 112.4 | E348 V351 A352 L355 E383 V384 N390 A391 | E348-M387 HydrophobicContact CB-CE 3.88Å; E348-M387 HydrophobicContact CG-CE 4.01Å; V351-M387 HydrophobicContact CB-CE 4.43Å; V351-M387 HydrophobicContact CG1-CE 4.28Å; A352-M387 HydrophobicContact CB-SD 4.17Å; L355-M387 HydrophobicContact CD1-CB 4.49Å; E383-M387 WeakPolarHBondContact O-CG 3.43Å; E383-M387 PolarHBondContact O-N 3.45Å; V384-M387 HydrophobicContact CG2-CE 4.24Å; V384-M387 PolarHBondContact O-N 2.85Å; V384-M387 VanDerWaalsContact O-N 3.14Å; M387-N390 PolarHBondContact O-N 2.91Å; M387-A391 WeakPolarHBondContact O-CB 3.46Å; M387-A391 PolarHBondContact O-N 3.48Å |
| 388 | L | 97 | Very high | 91 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 177.8 | -67.5 | 167.4 | 0 | 0 | 0 | 111.4 | L339 A343 V351 L355 V361 A372 L373 A376 V384 C385 N390 A391 G392 A393 | L339-L388 HydrophobicContact CD1-CD2 4.26Å; L339-L388 HydrophobicContact CD2-CD2 4.42Å; A343-L388 HydrophobicContact CB-CD1 4.29Å; V351-L388 HydrophobicContact CG1-CD2 4.44Å; L355-L388 HydrophobicContact CD1-CD2 4.23Å; L355-L388 HydrophobicContact CD2-CD2 4.29Å; V361-L388 HydrophobicContact CG2-CB 4.36Å; V361-L388 HydrophobicContact CG2-CD2 3.75Å; A372-L388 HydrophobicContact CB-CD1 3.98Å; A372-L388 HydrophobicContact CB-CD2 3.92Å; A372-L388 WeakPolarHBondContact O-CD1 3.25Å; L373-L388 HydrophobicContact CB-CD1 4.32Å; L373-L388 HydrophobicContact CD1-CB 4.28Å; L373-L388 HydrophobicContact CD1-CD1 4.41Å; A376-L388 HydrophobicContact CB-CD1 4.13Å; V384-L388 HydrophobicContact CG1-CD1 3.86Å; V384-L388 HydrophobicContact CG1-CG 4.36Å; V384-L388 VanDerWaalsContact O-CG 3.31Å; V384-L388 WeakPolarHBondContact O-CG 3.44Å; V384-L388 PolarHBondContact O-N 3.34Å; C385-L388 PolarHBondContact O-N 3.08Å; L388-N390 VanDerWaalsContact C-N 3.32Å; L388-N390 PolarHBondContact O-N 3.36Å; L388-A391 PolarHBondContact O-N 3.02Å; L388-A391 VanDerWaalsContact O-N 3.13Å; L388-G392 PolarHBondContact O-N 3.06Å; L388-A393 HydrophobicContact CB-CB 4.01Å; L388-A393 VanDerWaalsContact O-CB 3.3Å; L388-A393 WeakPolarHBondContact O-CB 3.26Å; L388-A393 PolarHBondContact O-N 2.94Å |
| 389 | L | 95.4 | Very high | 88.9 | Confident | 27 Ų | 27 | 38.9 Ų | 38.9 | 14% | 0.141 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -35.5 | 176.2 | -73.5 | 168.1 | 0 | 0 | 0 | 112.7 | L373 C385 G392 I395 L421 R424 | L373-L389 HydrophobicContact CD1-CG 4.09Å; L373-L389 HydrophobicContact CD2-CD2 3.72Å; L373-L389 HydrophobicContact CD2-CG 4.16Å; C385-L389 VanDerWaalsContact O-CB 3.31Å; C385-L389 WeakPolarHBondContact O-CB 3.28Å; C385-L389 WeakPolarHBondContact O-CD1 3.5Å; C385-L389 WeakPolarHBondContact O-CG 3.4Å; C385-L389 PolarHBondContact O-N 2.89Å; L389-G392 PolarHBondContact O-N 3.17Å; L389-I395 HydrophobicContact CD2-CB 4.05Å; L389-I395 HydrophobicContact CD2-CD1 4.17Å; L389-I395 HydrophobicContact CD2-CG1 4.17Å; L389-L421 HydrophobicContact CD1-CD2 4.22Å; L389-R424 HydrophobicContact CD1-CG 4.25Å |
| 390 | N | 95.7 | Very high | 87.1 | Confident | 106 Ų | 106 | 45 Ų | 45 | 57% | 0.567 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -76.7 | -22.2 | 175.6 | -69.2 | -46.1 | 0 | 0 | 0 | 112.9 | E386 M387 L388 R424 | E386-N390 VanDerWaalsContact O-CB 3.28Å; E386-N390 WeakPolarHBondContact O-CB 3.29Å; E386-N390 PolarHBondContact O-N 3.48Å; E386-N390 PolarHBondContact O-ND2 3.2Å; M387-N390 PolarHBondContact O-N 2.91Å; L388-N390 VanDerWaalsContact C-N 3.32Å; L388-N390 PolarHBondContact O-N 3.36Å; N390-R424 PolarHBondContact ND2-NH2 3.26Å; N390-R424 PolarHBondContact OD1-NH1 2.79Å; N390-R424 PolarHBondContact OD1-NH2 2.98Å |
| 391 | A | 95.9 | Very high | 85.4 | Confident | 55 Ų | 55 | 44.9 Ų | 44.9 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -82.1 | -15.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L355 V361 M387 L388 | L355-A391 HydrophobicContact CD1-CB 4.03Å; L355-A391 HydrophobicContact CD2-CB 3.99Å; L355-A391 HydrophobicContact CG-CB 4.48Å; V361-A391 HydrophobicContact CG2-CB 4.27Å; M387-A391 WeakPolarHBondContact O-CB 3.46Å; M387-A391 PolarHBondContact O-N 3.48Å; L388-A391 PolarHBondContact O-N 3.02Å; L388-A391 VanDerWaalsContact O-N 3.13Å |
| 392 | G | 93.7 | Very high | 84.2 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 43% | 0.433 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.3 | 23 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N362 L388 L389 D394 | N362-G392 PolarHBondContact ND2-O 3.18Å; L388-G392 PolarHBondContact O-N 3.06Å; L389-G392 PolarHBondContact O-N 3.17Å; G392-D394 PolarHBondContact O-N 2.93Å |
| 393 | A | 94 | Very high | 83.5 | Confident | 10 Ų | 10 | 43 Ų | 43 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | trans | -58.1 | 130.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V361 N362 L373 L388 | V361-A393 HydrophobicContact CG2-CB 3.91Å; N362-A393 WeakPolarHBondContact OD1-CA 3.44Å; L373-A393 HydrophobicContact CB-CB 4.25Å; L373-A393 HydrophobicContact CD2-CB 3.86Å; L388-A393 HydrophobicContact CB-CB 4.01Å; L388-A393 VanDerWaalsContact O-CB 3.3Å; L388-A393 WeakPolarHBondContact O-CB 3.26Å; L388-A393 PolarHBondContact O-N 2.94Å | ||
| 394 | D | 90.3 | Very high | 83.3 | Confident | 81 Ų | 81 | 38.3 Ų | 38.3 | 43% | 0.433 | 24% | 0.243 | S | C | . | . | trans | -80.9 | 121.2 | 174 | -174.9 | -18.8 | 0 | 0 | 0 | 109.9 | N362 G392 E396 V397 | N362-D394 PolarHBondContact OD1-N 2.87Å; G392-D394 PolarHBondContact O-N 2.93Å; D394-E396 PolarHBondContact O-N 3.49Å; D394-E396 PolarHBondContact OD1-N 3.48Å; D394-E396 VanDerWaalsContact OD1-N 3.08Å; D394-V397 HydrophobicContact CB-CB 3.91Å; D394-V397 HydrophobicContact CB-CG2 3.53Å; D394-V397 VanDerWaalsContact CG-CG2 3.49Å; D394-V397 PolarHBondContact O-N 3.33Å; D394-V397 WeakPolarHBondContact OD2-CG2 3.12Å | ||
| 395 | I | 92 | Very high | 83.1 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -14.2 | -173.1 | -160 | 164.9 | 0 | 0 | 0 | 113.7 | L389 P405 L421 R424 A426 | L389-I395 HydrophobicContact CD2-CB 4.05Å; L389-I395 HydrophobicContact CD2-CD1 4.17Å; L389-I395 HydrophobicContact CD2-CG1 4.17Å; I395-P405 WeakPolarHBondContact O-CD 3.25Å; I395-L421 HydrophobicContact CD1-CB 4.44Å; I395-L421 HydrophobicContact CD1-CD2 3.9Å; I395-L421 HydrophobicContact CG1-CD2 4.09Å; I395-R424 HydrophobicContact CD1-CB 3.81Å; I395-A426 HydrophobicContact CD1-CB 3.82Å; I395-A426 HydrophobicContact CG1-CB 4.03Å |
| 396 | E | 87.2 | Confident | 83 | Confident | 46 Ų | 46 | 38.2 Ų | 38.2 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 5.1 | 177.7 | -57.9 | -60.2 | 138.9 | 0 | 0 | 113.3 | D394 G398 A426 L427 | D394-E396 PolarHBondContact O-N 3.49Å; D394-E396 PolarHBondContact OD1-N 3.48Å; D394-E396 VanDerWaalsContact OD1-N 3.08Å; E396-G398 PolarHBondContact O-N 2.96Å; E396-A426 VanDerWaalsContact OE1-CA 3.31Å; E396-A426 WeakPolarHBondContact OE1-CA 3.33Å; E396-L427 HydrophobicContact CG-CD1 4.06Å; E396-L427 HydrophobicContact CG-CG 4.18Å; E396-L427 PolarHBondContact OE1-N 3.04Å; E396-L427 WeakPolarHBondContact OE2-CB 3.29Å |
| 397 | V | 66.3 | Low | 82.9 | Confident | 19 Ų | 19 | 36.3 Ų | 36.3 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 77.5 | -173.7 | 161.4 | 0 | 0 | 0 | 0 | 112.8 | R364 T371 D394 | R364-V397 VanDerWaalsContact NH2-CG1 3.29Å; T371-V397 HydrophobicContact CG2-CG1 3.95Å; T371-V397 VanDerWaalsContact CG2-O 3.24Å; T371-V397 WeakPolarHBondContact CG2-O 3.47Å; D394-V397 HydrophobicContact CB-CB 3.91Å; D394-V397 HydrophobicContact CB-CG2 3.53Å; D394-V397 VanDerWaalsContact CG-CG2 3.49Å; D394-V397 PolarHBondContact O-N 3.33Å; D394-V397 WeakPolarHBondContact OD2-CG2 3.12Å |
| 398 | G | 53.3 | Low | 82.7 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -18.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E396 C402 | E396-G398 PolarHBondContact O-N 2.96Å; G398-C402 WeakPolarHBondContact O-CB 3.45Å; G398-C402 PolarHBondContact O-SG 3.05Å |
| 399 | G | 48.3 | Very low | 82.7 | Confident | 34 Ų | 34 | 35.2 Ų | 35.2 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | trans | 97.1 | 174.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G401 C402 | G399-G401 VanDerWaalsContact C-N 3.33Å; G399-G401 PolarHBondContact O-N 3.4Å; G399-C402 PolarHBondContact O-N 3.01Å | ||
| 400 | V | 50.7 | Low | 82.7 | Confident | 167 Ų | 167 | 33.9 Ų | 33.9 | 100% | 1.012 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 85.8 | -175.8 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 401 | G | 58.6 | Low | 82.7 | Confident | 16 Ų | 16 | 30.5 Ų | 30.5 | 17% | 0.165 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 131.2 | -0.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116 | G399 T432 A433 | G399-G401 VanDerWaalsContact C-N 3.33Å; G399-G401 PolarHBondContact O-N 3.4Å; G401-T432 CarbonylContact O-C 2.92Å; G401-T432 WeakPolarHBondContact O-CA 3.15Å; G401-A433 VanDerWaalsContact C-N 3.31Å; G401-A433 WeakPolarHBondContact O-CB 3.35Å; G401-A433 PolarHBondContact O-N 3.26Å |
| 402 | C | 69.8 | Low | 82.6 | Confident | 39 Ų | 39 | 31.4 Ų | 31.4 | 26% | 0.264 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -97.5 | 175.3 | 176.9 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | Q369 G398 G399 | Q369-C402 HydrophobicContact CB-CB 4.36Å; G398-C402 WeakPolarHBondContact O-CB 3.45Å; G398-C402 PolarHBondContact O-SG 3.05Å; G399-C402 PolarHBondContact O-N 3.01Å |
| 403 | S | 82.8 | Confident | 82.7 | Confident | 28 Ų | 28 | 30.3 Ų | 30.3 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | trans | -68.2 | 153.7 | 173 | -161.9 | 0 | 0 | 0 | 0 | 111 | M407 E408 | S403-M407 WeakPolarHBondContact OG-CB 3.47Å; S403-E408 WeakPolarHBondContact CB-OE1 3.42Å; S403-E408 PolarHBondContact OG-OE1 3.12Å | ||
| 404 | T | 91.1 | Very high | 82.8 | Confident | 10 Ų | 10 | 32.7 Ų | 32.7 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | trans | -113.7 | 159.8 | 173.5 | 75.3 | 0 | 0 | 0 | 0 | 110.3 | L406 M407 E408 A430 | T404-L406 PolarHBondContact O-N 3.08Å; T404-M407 HydrophobicContact CG2-CE 4.16Å; T404-M407 WeakPolarHBondContact O-CA 3.28Å; T404-M407 WeakPolarHBondContact O-CB 3.31Å; T404-M407 PolarHBondContact O-N 3.11Å; T404-M407 PolarHBondContact OG1-N 3.41Å; T404-E408 PolarHBondContact O-N 2.98Å; T404-A430 HydrophobicContact CG2-CB 4.18Å | ||
| 405 | P | 93.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.6 | -29.1 | 175.6 | -26.6 | 34.5 | 0 | 0 | 0 | 113.6 | L373 T374 A377 I395 A409 L421 | L373-P405 HydrophobicContact CB-CG 4.41Å; L373-P405 HydrophobicContact CD2-CB 4.44Å; L373-P405 HydrophobicContact CD2-CG 3.8Å; L373-P405 HydrophobicContact CG-CB 4.11Å; L373-P405 HydrophobicContact CG-CG 3.7Å; T374-P405 HydrophobicContact CG2-CG 3.86Å; A377-P405 HydrophobicContact CB-CB 3.9Å; I395-P405 WeakPolarHBondContact O-CD 3.25Å; P405-A409 VanDerWaalsContact O-CB 3.26Å; P405-A409 WeakPolarHBondContact O-CB 3.2Å; P405-A409 PolarHBondContact O-N 3.11Å; P405-L421 HydrophobicContact CB-CD1 4.11Å; P405-L421 HydrophobicContact CB-CD2 4.22Å; P405-L421 VanDerWaalsContact O-CD1 3.29Å; P405-L421 WeakPolarHBondContact O-CD1 3.46Å |
| 406 | L | 95.2 | Very high | 83.4 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.5 | -30.6 | 174.6 | -179.2 | 63.9 | 0 | 0 | 0 | 112.8 | T404 A410 V418 L421 L422 A426 A438 L454 | T404-L406 PolarHBondContact O-N 3.08Å; L406-A410 WeakPolarHBondContact O-CB 3.32Å; L406-A410 PolarHBondContact O-N 3.06Å; L406-A410 VanDerWaalsContact O-N 3.16Å; L406-V418 HydrophobicContact CD1-CB 4.49Å; L406-V418 HydrophobicContact CD1-CG1 4Å; L406-L421 HydrophobicContact CB-CD1 4.49Å; L406-L421 HydrophobicContact CD1-CB 4.27Å; L406-L422 HydrophobicContact CD1-CD1 4.37Å; L406-L422 HydrophobicContact CD1-CD2 4.21Å; L406-L422 HydrophobicContact CD1-CG 3.93Å; L406-L422 HydrophobicContact CD2-CD2 3.76Å; L406-L422 HydrophobicContact CD2-CG 4.39Å; L406-A426 HydrophobicContact CB-CB 4.13Å; L406-A426 HydrophobicContact CD2-CB 3.93Å; L406-A426 HydrophobicContact CG-CB 4.49Å; L406-A438 HydrophobicContact CG-CB 4.15Å; L406-L454 HydrophobicContact CD1-CD2 4.33Å |
| 407 | M | 93.7 | Very high | 83.8 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.9 | -46.9 | 173.1 | -64.7 | 178.6 | -170 | 0 | 0 | 110.7 | S403 T404 A410 Q411 A430 T432 A438 Y441 | S403-M407 WeakPolarHBondContact OG-CB 3.47Å; T404-M407 HydrophobicContact CG2-CE 4.16Å; T404-M407 WeakPolarHBondContact O-CA 3.28Å; T404-M407 WeakPolarHBondContact O-CB 3.31Å; T404-M407 PolarHBondContact O-N 3.11Å; T404-M407 PolarHBondContact OG1-N 3.41Å; M407-A410 CarbonylContact O-C 3.54Å; M407-A410 PolarHBondContact O-N 3.46Å; M407-A410 VanDerWaalsContact O-N 3.1Å; M407-Q411 WeakPolarHBondContact O-CB 3.49Å; M407-Q411 PolarHBondContact O-N 3.26Å; M407-A430 VanDerWaalsContact CE-C 3.46Å; M407-A430 HydrophobicContact CE-CB 3.84Å; M407-A430 VanDerWaalsContact CE-O 3.29Å; M407-A430 WeakPolarHBondContact CE-O 3.49Å; M407-T432 HydrophobicContact CE-CG2 4.19Å; M407-T432 HydrophobicContact SD-CG2 3.56Å; M407-T432 VanDerWaalsContact SD-CG2 3.56Å; M407-A438 HydrophobicContact CG-CB 4.16Å; M407-Y441 HydrophobicContact CB-CD2 4.15Å; M407-Y441 HydrophobicContact CB-CE2 4.27Å; M407-Y441 HydrophobicContact CG-CD2 4.36Å; M407-Y441 HydrophobicContact CG-CE2 4.38Å; M407-Y441 HydrophobicContact SD-CE2 4.06Å |
| 408 | E | 92.9 | Very high | 85.3 | Confident | 28 Ų | 28 | 31.2 Ų | 31.2 | 13% | 0.131 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.8 | -51.8 | 175.8 | -62.9 | -49.1 | 133.5 | 0 | 0 | 111.8 | A377 C378 S403 T404 A410 Q411 E412 | A377-E408 HydrophobicContact CB-CB 4.37Å; C378-E408 HydrophobicContact CB-CB 4.23Å; S403-E408 WeakPolarHBondContact CB-OE1 3.42Å; S403-E408 PolarHBondContact OG-OE1 3.12Å; T404-E408 PolarHBondContact O-N 2.98Å; E408-A410 PolarHBondContact O-N 3.33Å; E408-A410 VanDerWaalsContact O-N 3.14Å; E408-Q411 WeakPolarHBondContact O-CB 3.37Å; E408-Q411 PolarHBondContact O-N 3.33Å; E408-E412 PolarHBondContact O-N 2.88Å |
| 409 | A | 96.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -24.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P405 G413 H414 L417 V418 L421 | P405-A409 VanDerWaalsContact O-CB 3.26Å; P405-A409 WeakPolarHBondContact O-CB 3.2Å; P405-A409 PolarHBondContact O-N 3.11Å; A409-G413 PolarHBondContact O-N 3.07Å; A409-H414 HydrophobicContact CB-CB 4.36Å; A409-H414 PolarHBondContact O-N 2.92Å; A409-L417 HydrophobicContact CB-CB 4.36Å; A409-L417 HydrophobicContact CB-CD2 3.85Å; A409-L417 HydrophobicContact CB-CG 3.98Å; A409-V418 VanDerWaalsContact C-CG2 3.46Å; A409-V418 HydrophobicContact CB-CG2 3.74Å; A409-V418 VanDerWaalsContact O-CG2 3.23Å; A409-V418 WeakPolarHBondContact O-CG2 3.43Å; A409-L421 HydrophobicContact CB-CD1 3.9Å |
| 410 | A | 96.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -86.6 | -26.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L406 M407 E408 V418 A438 A442 V450 L454 | L406-A410 WeakPolarHBondContact O-CB 3.32Å; L406-A410 PolarHBondContact O-N 3.06Å; L406-A410 VanDerWaalsContact O-N 3.16Å; M407-A410 CarbonylContact O-C 3.54Å; M407-A410 PolarHBondContact O-N 3.46Å; M407-A410 VanDerWaalsContact O-N 3.1Å; E408-A410 PolarHBondContact O-N 3.33Å; E408-A410 VanDerWaalsContact O-N 3.14Å; A410-V418 HydrophobicContact CB-CG2 4.35Å; A410-A438 HydrophobicContact CB-CB 3.93Å; A410-A442 HydrophobicContact CB-CB 4.32Å; A410-A442 WeakPolarHBondContact O-CA 3.29Å; A410-V450 HydrophobicContact CB-CG1 3.87Å; A410-L454 HydrophobicContact CB-CD1 4.17Å |
| 411 | Q | 94.5 | Very high | 91.8 | Very high | 35 Ų | 35 | 30.2 Ų | 30.2 | 16% | 0.164 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.9 | -49.1 | 173.6 | -171.3 | -178.8 | -94.4 | 0 | 0 | 110.7 | M407 E408 G413 Y441 N445 H447 W688 | M407-Q411 WeakPolarHBondContact O-CB 3.49Å; M407-Q411 PolarHBondContact O-N 3.26Å; E408-Q411 WeakPolarHBondContact O-CB 3.37Å; E408-Q411 PolarHBondContact O-N 3.33Å; Q411-G413 VanDerWaalsContact C-N 3.3Å; Q411-Y441 HydrophobicContact CB-CD1 4.25Å; Q411-Y441 HydrophobicContact CB-CG 4.46Å; Q411-Y441 HydrophobicContact CG-CD1 4.06Å; Q411-Y441 VanDerWaalsContact OE1-CD1 3.25Å; Q411-N445 PolarHBondContact O-ND2 2.9Å; Q411-H447 PolarHBondContact O-CD2 3.24Å; Q411-W688 HydrophobicContact CG-CZ2 3.89Å |
| 412 | E | 95 | Very high | 93.6 | Very high | 73 Ų | 73 | 29.7 Ų | 29.7 | 34% | 0.341 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -0.4 | -178.3 | -57.4 | -47.1 | 122.5 | 0 | 0 | 113.3 | E408 H414 | E408-E412 PolarHBondContact O-N 2.88Å; E412-H414 WeakPolarHBondContact CB-NE2 3.28Å |
| 413 | G | 95.5 | Very high | 94.8 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 16.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A409 Q411 L415 | A409-G413 PolarHBondContact O-N 3.07Å; Q411-G413 VanDerWaalsContact C-N 3.3Å; G413-L415 VanDerWaalsContact C-N 3.25Å; G413-L415 PolarHBondContact O-N 2.82Å |
| 414 | H | 96.8 | Very high | 95.4 | Very high | 60 Ų | 60 | 36.5 Ų | 36.5 | 28% | 0.278 | 17% | 0.166 | S | C | . | . | trans | -68.8 | 69.9 | -176.7 | -63.8 | -50.4 | 0 | 0 | 0 | 113.2 | A377 C378 G380 A409 E412 E416 L417 V418 | A377-H414 PolarHBondContact O-CD2 2.97Å; A377-H414 VanDerWaalsContact O-CD2 3.3Å; C378-H414 PolarHBondContact O-NE2 3.34Å; G380-H414 PolarHBondContact N-NE2 2.75Å; A409-H414 HydrophobicContact CB-CB 4.36Å; A409-H414 PolarHBondContact O-N 2.92Å; E412-H414 WeakPolarHBondContact CB-NE2 3.28Å; H414-E416 VanDerWaalsContact C-N 3.31Å; H414-E416 PolarHBondContact O-N 3.15Å; H414-E416 VanDerWaalsContact O-N 3.11Å; H414-L417 HydrophobicContact CB-CB 3.98Å; H414-L417 PolarHBondContact O-N 3.41Å; H414-V418 PolarHBondContact O-N 2.63Å | ||
| 415 | L | 96.7 | Very high | 95.4 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 31% | 0.314 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -52.3 | -38.8 | -168.7 | -179.4 | 63.2 | 0 | 0 | 0 | 115.1 | G413 R419 K449 V450 K453 | G413-L415 VanDerWaalsContact C-N 3.25Å; G413-L415 PolarHBondContact O-N 2.82Å; L415-R419 VanDerWaalsContact O-CG 3.26Å; L415-R419 WeakPolarHBondContact O-CG 3.42Å; L415-R419 PolarHBondContact O-N 3.18Å; L415-R419 VanDerWaalsContact O-N 3.15Å; L415-K449 HydrophobicContact CD1-CB 4.3Å; L415-K449 HydrophobicContact CD2-CB 3.9Å; L415-K449 HydrophobicContact CD2-CD 4.16Å; L415-V450 HydrophobicContact CB-CG2 4.28Å; L415-V450 HydrophobicContact CD1-CG2 4.03Å; L415-K453 HydrophobicContact CD1-CB 4.14Å |
| 416 | E | 96.6 | Very high | 95.5 | Very high | 77 Ų | 77 | 38.7 Ų | 38.7 | 36% | 0.36 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -75.5 | -36.5 | 178.3 | -174.1 | 62.3 | -169.5 | 0 | 0 | 111.7 | I382 H414 R419 R420 | I382-E416 HydrophobicContact CD1-CB 4.11Å; I382-E416 HydrophobicContact CD1-CG 4.04Å; H414-E416 VanDerWaalsContact C-N 3.31Å; H414-E416 PolarHBondContact O-N 3.15Å; H414-E416 VanDerWaalsContact O-N 3.11Å; E416-R419 WeakPolarHBondContact O-CB 3.45Å; E416-R419 PolarHBondContact O-N 3.25Å; E416-R419 WeakPolarHBondContact OE2-CD 3.41Å; E416-R419 IonicContact OE2-NE 2.76Å; E416-R419 PolarHBondContact OE2-NE 3.1Å; E416-R420 WeakPolarHBondContact O-CG 3.36Å; E416-R420 PolarHBondContact O-N 3.21Å; E416-R420 IonicContact OE1-CZ 3.93Å; E416-R420 IonicContact OE1-NE 3.84Å; E416-R420 PolarHBondContact OE1-NE 2.72Å; E416-R420 IonicContact OE1-NH2 2.74Å; E416-R420 PolarHBondContact OE1-NH2 2.83Å |
| 417 | L | 96.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 173.2 | -178.6 | 58.8 | 0 | 0 | 0 | 111.3 | A377 I382 C385 A409 H414 R419 R420 L421 | A377-L417 HydrophobicContact CB-CD2 3.89Å; I382-L417 HydrophobicContact CG1-CB 4.08Å; I382-L417 HydrophobicContact CG1-CD1 4.35Å; C385-L417 HydrophobicContact CB-CD1 3.94Å; A409-L417 HydrophobicContact CB-CB 4.36Å; A409-L417 HydrophobicContact CB-CD2 3.85Å; A409-L417 HydrophobicContact CB-CG 3.98Å; H414-L417 HydrophobicContact CB-CB 3.98Å; H414-L417 PolarHBondContact O-N 3.41Å; L417-R419 PolarHBondContact O-N 3.18Å; L417-R420 PolarHBondContact O-N 3.04Å; L417-L421 HydrophobicContact CD1-CD1 4.23Å; L417-L421 HydrophobicContact CD1-CG 4.05Å; L417-L421 HydrophobicContact CG-CD1 3.92Å; L417-L421 HydrophobicContact CG-CG 4.23Å; L417-L421 WeakPolarHBondContact O-CG 3.37Å; L417-L421 PolarHBondContact O-N 2.98Å |
| 418 | V | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52.5 | -42.4 | 171.8 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | L406 A409 A410 H414 L422 V450 L454 | L406-V418 HydrophobicContact CD1-CB 4.49Å; L406-V418 HydrophobicContact CD1-CG1 4Å; A409-V418 VanDerWaalsContact C-CG2 3.46Å; A409-V418 HydrophobicContact CB-CG2 3.74Å; A409-V418 VanDerWaalsContact O-CG2 3.23Å; A409-V418 WeakPolarHBondContact O-CG2 3.43Å; A410-V418 HydrophobicContact CB-CG2 4.35Å; H414-V418 PolarHBondContact O-N 2.63Å; V418-L422 HydrophobicContact CG1-CD1 3.84Å; V418-L422 WeakPolarHBondContact O-CB 3.16Å; V418-L422 WeakPolarHBondContact O-CD1 3.23Å; V418-L422 VanDerWaalsContact O-CG 3.23Å; V418-L422 WeakPolarHBondContact O-CG 3.43Å; V418-L422 PolarHBondContact O-N 2.79Å; V418-L422 VanDerWaalsContact O-N 3.13Å; V418-V450 HydrophobicContact CG1-CG1 4.35Å; V418-V450 HydrophobicContact CG2-CG1 4.21Å; V418-L454 HydrophobicContact CG1-CD2 4.37Å |
| 419 | R | 97.3 | Very high | 95.4 | Very high | 91 Ų | 91 | 46.3 Ų | 46.3 | 34% | 0.343 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.9 | -46 | 174.9 | -71.5 | 170.1 | 56.2 | 104.1 | 27.2 | 112.1 | L415 E416 L417 L422 E423 K453 | L415-R419 VanDerWaalsContact O-CG 3.26Å; L415-R419 WeakPolarHBondContact O-CG 3.42Å; L415-R419 PolarHBondContact O-N 3.18Å; L415-R419 VanDerWaalsContact O-N 3.15Å; E416-R419 WeakPolarHBondContact O-CB 3.45Å; E416-R419 PolarHBondContact O-N 3.25Å; E416-R419 WeakPolarHBondContact OE2-CD 3.41Å; E416-R419 IonicContact OE2-NE 2.76Å; E416-R419 PolarHBondContact OE2-NE 3.1Å; L417-R419 PolarHBondContact O-N 3.18Å; R419-L422 PolarHBondContact O-N 3.03Å; R419-E423 IonicContact CZ-OE1 3.89Å; R419-E423 IonicContact NH2-OE1 3.62Å; R419-E423 PolarHBondContact NH2-OE1 3.23Å; R419-E423 VanDerWaalsContact NH2-OE1 3.16Å; R419-E423 VanDerWaalsContact O-CB 3.32Å; R419-E423 WeakPolarHBondContact O-CB 3.29Å; R419-E423 WeakPolarHBondContact O-CG 3.38Å; R419-E423 PolarHBondContact O-N 2.88Å; R419-K453 HydrophobicContact CG-CG 4.1Å |
| 420 | R | 96.2 | Very high | 95.2 | Very high | 89 Ų | 89 | 47.1 Ų | 47.1 | 34% | 0.336 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 179.9 | -60.5 | -43.6 | 176.3 | 80.8 | 8.2 | 112.7 | E416 L417 L422 E423 R424 | E416-R420 WeakPolarHBondContact O-CG 3.36Å; E416-R420 PolarHBondContact O-N 3.21Å; E416-R420 IonicContact OE1-CZ 3.93Å; E416-R420 IonicContact OE1-NE 3.84Å; E416-R420 PolarHBondContact OE1-NE 2.72Å; E416-R420 IonicContact OE1-NH2 2.74Å; E416-R420 PolarHBondContact OE1-NH2 2.83Å; L417-R420 PolarHBondContact O-N 3.04Å; R420-L422 PolarHBondContact O-N 2.94Å; R420-E423 CarbonylContact O-C 3.55Å; R420-E423 PolarHBondContact O-N 3.03Å; R420-R424 VanDerWaalsContact O-CB 3.23Å; R420-R424 WeakPolarHBondContact O-CB 3.41Å; R420-R424 WeakPolarHBondContact O-CG 3.38Å; R420-R424 PolarHBondContact O-N 3.23Å |
| 421 | L | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 175.4 | -67.8 | 170.8 | 0 | 0 | 0 | 111.4 | L389 I395 P405 L406 A409 L417 R424 G425 A426 | L389-L421 HydrophobicContact CD1-CD2 4.22Å; I395-L421 HydrophobicContact CD1-CB 4.44Å; I395-L421 HydrophobicContact CD1-CD2 3.9Å; I395-L421 HydrophobicContact CG1-CD2 4.09Å; P405-L421 HydrophobicContact CB-CD1 4.11Å; P405-L421 HydrophobicContact CB-CD2 4.22Å; P405-L421 VanDerWaalsContact O-CD1 3.29Å; P405-L421 WeakPolarHBondContact O-CD1 3.46Å; L406-L421 HydrophobicContact CB-CD1 4.49Å; L406-L421 HydrophobicContact CD1-CB 4.27Å; A409-L421 HydrophobicContact CB-CD1 3.9Å; L417-L421 HydrophobicContact CD1-CD1 4.23Å; L417-L421 HydrophobicContact CD1-CG 4.05Å; L417-L421 HydrophobicContact CG-CD1 3.92Å; L417-L421 HydrophobicContact CG-CG 4.23Å; L417-L421 WeakPolarHBondContact O-CG 3.37Å; L417-L421 PolarHBondContact O-N 2.98Å; L421-R424 CarbonylContact O-C 3.43Å; L421-R424 PolarHBondContact O-N 3.08Å; L421-G425 PolarHBondContact O-N 3.05Å; L421-A426 HydrophobicContact CB-CB 4.14Å; L421-A426 VanDerWaalsContact O-CB 3.26Å; L421-A426 WeakPolarHBondContact O-CB 2.9Å; L421-A426 PolarHBondContact O-N 3.4Å |
| 422 | L | 96 | Very high | 94.6 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 174.1 | -68.7 | 164.6 | 0 | 0 | 0 | 112.4 | L406 V418 R419 R420 R424 G425 V428 L454 W457 | L406-L422 HydrophobicContact CD1-CD1 4.37Å; L406-L422 HydrophobicContact CD1-CD2 4.21Å; L406-L422 HydrophobicContact CD1-CG 3.93Å; L406-L422 HydrophobicContact CD2-CD2 3.76Å; L406-L422 HydrophobicContact CD2-CG 4.39Å; V418-L422 HydrophobicContact CG1-CD1 3.84Å; V418-L422 WeakPolarHBondContact O-CB 3.16Å; V418-L422 WeakPolarHBondContact O-CD1 3.23Å; V418-L422 VanDerWaalsContact O-CG 3.23Å; V418-L422 WeakPolarHBondContact O-CG 3.43Å; V418-L422 PolarHBondContact O-N 2.79Å; V418-L422 VanDerWaalsContact O-N 3.13Å; R419-L422 PolarHBondContact O-N 3.03Å; R420-L422 PolarHBondContact O-N 2.94Å; L422-R424 VanDerWaalsContact C-N 3.27Å; L422-R424 PolarHBondContact O-N 2.96Å; L422-G425 PolarHBondContact O-N 3.41Å; L422-G425 VanDerWaalsContact O-N 3.12Å; L422-V428 HydrophobicContact CD2-CB 3.87Å; L422-V428 HydrophobicContact CD2-CG2 4Å; L422-L454 HydrophobicContact CD1-CD2 4.28Å; L422-W457 HydrophobicContact CB-CD2 4.01Å; L422-W457 HydrophobicContact CB-CE3 4.42Å; L422-W457 HydrophobicContact CB-CG 4.4Å; L422-W457 HydrophobicContact CB-CH2 4.34Å; L422-W457 HydrophobicContact CB-CZ2 3.91Å; L422-W457 HydrophobicContact CD1-CB 4.39Å; L422-W457 HydrophobicContact CD1-CD2 4.44Å; L422-W457 HydrophobicContact CD1-CG 3.95Å; L422-W457 HydrophobicContact CD2-CB 4.37Å; L422-W457 HydrophobicContact CD2-CD2 4.46Å; L422-W457 HydrophobicContact CD2-CG 4.33Å; L422-W457 HydrophobicContact CG-CG 4.47Å; L422-W457 WeakPolarHBondContact O-CH2 3.16Å |
| 423 | E | 95.7 | Very high | 94.1 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 47% | 0.467 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.8 | -25.8 | 175.6 | -71 | 168.3 | -164.9 | 0 | 0 | 112.5 | R419 R420 W457 | R419-E423 IonicContact CZ-OE1 3.89Å; R419-E423 IonicContact NH2-OE1 3.62Å; R419-E423 PolarHBondContact NH2-OE1 3.23Å; R419-E423 VanDerWaalsContact NH2-OE1 3.16Å; R419-E423 VanDerWaalsContact O-CB 3.32Å; R419-E423 WeakPolarHBondContact O-CB 3.29Å; R419-E423 WeakPolarHBondContact O-CG 3.38Å; R419-E423 PolarHBondContact O-N 2.88Å; R420-E423 CarbonylContact O-C 3.55Å; R420-E423 PolarHBondContact O-N 3.03Å; E423-W457 HydrophobicContact CG-CH2 4.39Å; E423-W457 HydrophobicContact CG-CZ2 3.92Å |
| 424 | R | 94.5 | Very high | 93.6 | Very high | 110 Ų | 110 | 52.1 Ų | 52.1 | 42% | 0.415 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -82.5 | -11.8 | 171 | -74.1 | -74.5 | -167.8 | 160.3 | -1.7 | 113.7 | E386 L389 N390 I395 R420 L421 L422 | E386-R424 IonicContact OE1-NE 2.83Å; E386-R424 IonicContact OE2-CZ 3.88Å; E386-R424 IonicContact OE2-NE 3.67Å; E386-R424 IonicContact OE2-NH2 3.36Å; E386-R424 PolarHBondContact OE2-NH2 3.05Å; L389-R424 HydrophobicContact CD1-CG 4.25Å; N390-R424 PolarHBondContact ND2-NH2 3.26Å; N390-R424 PolarHBondContact OD1-NH1 2.79Å; N390-R424 PolarHBondContact OD1-NH2 2.98Å; I395-R424 HydrophobicContact CD1-CB 3.81Å; R420-R424 VanDerWaalsContact O-CB 3.23Å; R420-R424 WeakPolarHBondContact O-CB 3.41Å; R420-R424 WeakPolarHBondContact O-CG 3.38Å; R420-R424 PolarHBondContact O-N 3.23Å; L421-R424 CarbonylContact O-C 3.43Å; L421-R424 PolarHBondContact O-N 3.08Å; L422-R424 VanDerWaalsContact C-N 3.27Å; L422-R424 PolarHBondContact O-N 2.96Å |
| 425 | G | 92.4 | Very high | 93.2 | Very high | 48 Ų | 48 | 50 Ų | 50 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 112.2 | 11.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | L421 L422 | L421-G425 PolarHBondContact O-N 3.05Å; L422-G425 PolarHBondContact O-N 3.41Å; L422-G425 VanDerWaalsContact O-N 3.12Å |
| 426 | A | 93.7 | Very high | 93 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | trans | -56.5 | 141 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I395 E396 L406 L421 V428 | I395-A426 HydrophobicContact CD1-CB 3.82Å; I395-A426 HydrophobicContact CG1-CB 4.03Å; E396-A426 VanDerWaalsContact OE1-CA 3.31Å; E396-A426 WeakPolarHBondContact OE1-CA 3.33Å; L406-A426 HydrophobicContact CB-CB 4.13Å; L406-A426 HydrophobicContact CD2-CB 3.93Å; L406-A426 HydrophobicContact CG-CB 4.49Å; L421-A426 HydrophobicContact CB-CB 4.14Å; L421-A426 VanDerWaalsContact O-CB 3.26Å; L421-A426 WeakPolarHBondContact O-CB 2.9Å; L421-A426 PolarHBondContact O-N 3.4Å; A426-V428 PolarHBondContact O-N 2.87Å | ||
| 427 | L | 92.9 | Very high | 92.9 | Very high | 105 Ų | 105 | 44.1 Ų | 44.1 | 55% | 0.55 | 25% | 0.245 | S | C | . | . | trans | -75.6 | 96 | -176.4 | -63 | 179.1 | 0 | 0 | 0 | 111.2 | E396 N429 A430 | E396-L427 HydrophobicContact CG-CD1 4.06Å; E396-L427 HydrophobicContact CG-CG 4.18Å; E396-L427 PolarHBondContact OE1-N 3.04Å; E396-L427 WeakPolarHBondContact OE2-CB 3.29Å; L427-N429 PolarHBondContact O-N 2.96Å; L427-A430 HydrophobicContact CB-CB 4.15Å; L427-A430 WeakPolarHBondContact O-CB 3.47Å; L427-A430 PolarHBondContact O-N 2.82Å | ||
| 428 | V | 94.4 | Very high | 92.8 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 13% | 0.127 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -20.1 | 179.4 | 73.4 | 0 | 0 | 0 | 0 | 115.7 | L422 A426 L454 W457 A459 | L422-V428 HydrophobicContact CD2-CB 3.87Å; L422-V428 HydrophobicContact CD2-CG2 4Å; A426-V428 PolarHBondContact O-N 2.87Å; V428-L454 HydrophobicContact CG2-CD2 3.96Å; V428-W457 HydrophobicContact CG2-CB 4.06Å; V428-A459 HydrophobicContact CG2-CB 4.07Å |
| 429 | N | 92.7 | Very high | 92.8 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 27.5 | 176.1 | -68.4 | -64.3 | 0 | 0 | 0 | 112.8 | L427 G458 A459 V460 | L427-N429 PolarHBondContact O-N 2.96Å; N429-G458 PolarHBondContact ND2-O 2.97Å; N429-A459 WeakPolarHBondContact OD1-CA 3.31Å; N429-V460 PolarHBondContact OD1-N 3.28Å |
| 430 | A | 91.2 | Very high | 92.7 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | trans | -57.8 | 151.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T404 M407 L427 T437 | T404-A430 HydrophobicContact CG2-CB 4.18Å; M407-A430 VanDerWaalsContact CE-C 3.46Å; M407-A430 HydrophobicContact CE-CB 3.84Å; M407-A430 VanDerWaalsContact CE-O 3.29Å; M407-A430 WeakPolarHBondContact CE-O 3.49Å; L427-A430 HydrophobicContact CB-CB 4.15Å; L427-A430 WeakPolarHBondContact O-CB 3.47Å; L427-A430 PolarHBondContact O-N 2.82Å; A430-T437 WeakPolarHBondContact O-CG2 3.2Å | ||
| 431 | V | 90.1 | Very high | 92.6 | Very high | 83 Ų | 83 | 37.4 Ų | 37.4 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | trans | -131.3 | 139.8 | -177.5 | -74.9 | 0 | 0 | 0 | 0 | 112 | D436 T437 | V431-D436 CarbonylContact C-O 3.55Å; V431-D436 VanDerWaalsContact CA-O 3.27Å; V431-D436 WeakPolarHBondContact CA-O 3.36Å; V431-T437 HydrophobicContact CG1-CG2 3.7Å | ||
| 432 | T | 88.4 | Confident | 92.7 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | trans | -71.7 | 176.8 | 166.1 | 66.5 | 0 | 0 | 0 | 0 | 111.3 | G401 M407 T434 G435 D436 Y441 | G401-T432 CarbonylContact O-C 2.92Å; G401-T432 WeakPolarHBondContact O-CA 3.15Å; M407-T432 HydrophobicContact CE-CG2 4.19Å; M407-T432 HydrophobicContact SD-CG2 3.56Å; M407-T432 VanDerWaalsContact SD-CG2 3.56Å; T432-T434 PolarHBondContact O-N 2.74Å; T432-T434 PolarHBondContact OG1-N 2.86Å; T432-T434 PolarHBondContact OG1-OG1 3.49Å; T432-G435 WeakPolarHBondContact O-CA 3.37Å; T432-G435 PolarHBondContact O-N 3.37Å; T432-G435 PolarHBondContact OG1-N 3.14Å; T432-D436 HydrophobicContact CG2-CB 4.3Å; T432-D436 PolarHBondContact N-O 3.21Å; T432-D436 PolarHBondContact OG1-N 2.95Å; T432-Y441 HydrophobicContact CG2-CE2 4.12Å | ||
| 433 | A | 85.4 | Confident | 92.7 | Very high | 69 Ų | 69 | 37.1 Ų | 37.1 | 57% | 0.57 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -33.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G401 G435 | G401-A433 VanDerWaalsContact C-N 3.31Å; G401-A433 WeakPolarHBondContact O-CB 3.35Å; G401-A433 PolarHBondContact O-N 3.26Å; A433-G435 PolarHBondContact O-N 2.91Å |
| 434 | T | 85.2 | Confident | 92.7 | Very high | 69 Ų | 69 | 33.6 Ų | 33.6 | 42% | 0.423 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -3.3 | 172.3 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | T432 D436 T465 E466 | T432-T434 PolarHBondContact O-N 2.74Å; T432-T434 PolarHBondContact OG1-N 2.86Å; T432-T434 PolarHBondContact OG1-OG1 3.49Å; T434-D436 VanDerWaalsContact C-N 3.34Å; T434-D436 WeakPolarHBondContact CB-OD2 3.31Å; T434-D436 PolarHBondContact OG1-OD2 2.64Å; T434-T465 CarbonylContact O-C 3.08Å; T434-T465 WeakPolarHBondContact O-CA 3.34Å; T434-T465 WeakPolarHBondContact O-CB 3.17Å; T434-E466 PolarHBondContact O-N 3.38Å |
| 435 | G | 89.1 | Confident | 92.7 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | trans | 80.4 | 9.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T432 A433 | T432-G435 WeakPolarHBondContact O-CA 3.37Å; T432-G435 PolarHBondContact O-N 3.37Å; T432-G435 PolarHBondContact OG1-N 3.14Å; A433-G435 PolarHBondContact O-N 2.91Å | ||
| 436 | D | 92.1 | Very high | 92.8 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | trans | -72.3 | 144.4 | 175.9 | -72 | -89.6 | 0 | 0 | 0 | 110.9 | V431 T432 T434 H440 Y441 T465 K474 | V431-D436 CarbonylContact C-O 3.55Å; V431-D436 VanDerWaalsContact CA-O 3.27Å; V431-D436 WeakPolarHBondContact CA-O 3.36Å; T432-D436 HydrophobicContact CG2-CB 4.3Å; T432-D436 PolarHBondContact N-O 3.21Å; T432-D436 PolarHBondContact OG1-N 2.95Å; T434-D436 VanDerWaalsContact C-N 3.34Å; T434-D436 WeakPolarHBondContact CB-OD2 3.31Å; T434-D436 PolarHBondContact OG1-OD2 2.64Å; D436-H440 HydrophobicContact CB-CB 4.2Å; D436-H440 WeakPolarHBondContact OD1-CB 3.28Å; D436-H440 IonicContact OD1-CD2 2.63Å; D436-H440 IonicContact OD1-CG 3.9Å; D436-Y441 HydrophobicContact CB-CE2 3.84Å; D436-T465 HydrophobicContact CB-CG2 4.5Å; D436-T465 VanDerWaalsContact CG-CG2 3.45Å; D436-T465 VanDerWaalsContact OD1-CG2 3.29Å; D436-T465 WeakPolarHBondContact OD1-CG2 3.39Å; D436-T465 WeakPolarHBondContact OD2-CG2 3.31Å; D436-K474 WeakPolarHBondContact OD1-CE 3.43Å; D436-K474 IonicContact OD1-NZ 2.88Å; D436-K474 PolarHBondContact OD1-NZ 3.01Å | ||
| 437 | T | 94.3 | Very high | 93 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | trans | -116.6 | 166.4 | 176.6 | 68.4 | 0 | 0 | 0 | 0 | 110 | A430 V431 L439 H440 Y441 A463 | A430-T437 WeakPolarHBondContact O-CG2 3.2Å; V431-T437 HydrophobicContact CG1-CG2 3.7Å; T437-L439 PolarHBondContact O-N 2.75Å; T437-L439 PolarHBondContact OG1-N 3.5Å; T437-H440 PolarHBondContact N-ND1 2.9Å; T437-H440 VanDerWaalsContact N-ND1 3.11Å; T437-H440 WeakPolarHBondContact O-CA 3.47Å; T437-H440 WeakPolarHBondContact O-CB 3.4Å; T437-H440 PolarHBondContact O-N 2.93Å; T437-H440 PolarHBondContact OG1-ND1 3.26Å; T437-Y441 WeakPolarHBondContact O-CD2 3.37Å; T437-Y441 PolarHBondContact O-N 3.04Å; T437-A463 HydrophobicContact CG2-CB 4.25Å | ||
| 438 | A | 95.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -51.9 | -28.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L406 M407 A410 A442 L454 | L406-A438 HydrophobicContact CG-CB 4.15Å; M407-A438 HydrophobicContact CG-CB 4.16Å; A410-A438 HydrophobicContact CB-CB 3.93Å; A438-A442 WeakPolarHBondContact O-CB 3.5Å; A438-A442 PolarHBondContact O-N 2.81Å; A438-L454 HydrophobicContact CB-CD1 4Å; A438-L454 HydrophobicContact CB-CD2 4.12Å; A438-L454 WeakPolarHBondContact O-CD1 3.4Å |
| 439 | L | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73.5 | -29.8 | 174 | -175 | 64.4 | 0 | 0 | 0 | 113 | T437 A443 C451 L454 L455 A459 P471 F487 | T437-L439 PolarHBondContact O-N 2.75Å; T437-L439 PolarHBondContact OG1-N 3.5Å; L439-A443 WeakPolarHBondContact O-CB 3.21Å; L439-A443 PolarHBondContact O-N 3.35Å; L439-C451 HydrophobicContact CD1-CB 4.06Å; L439-L454 HydrophobicContact CB-CD1 4.4Å; L439-L454 HydrophobicContact CD1-CB 4.36Å; L439-L455 HydrophobicContact CD1-CG 4.37Å; L439-L455 HydrophobicContact CD2-CD2 3.94Å; L439-A459 HydrophobicContact CB-CB 4.07Å; L439-A459 HydrophobicContact CD2-CB 3.86Å; L439-A459 HydrophobicContact CG-CB 4.42Å; L439-P471 HydrophobicContact CD2-CG 4.26Å; L439-P471 HydrophobicContact CG-CB 4.25Å; L439-P471 HydrophobicContact CG-CG 4.17Å; L439-F487 HydrophobicContact CD1-CE1 4.23Å; L439-F487 HydrophobicContact CD1-CZ 3.96Å; L439-F487 HydrophobicContact CG-CZ 4.32Å |
| 440 | H | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.6 | -50.3 | 172.3 | -69.3 | 75.5 | 0 | 0 | 0 | 110.2 | D436 T437 A443 E444 R469 K474 | D436-H440 HydrophobicContact CB-CB 4.2Å; D436-H440 WeakPolarHBondContact OD1-CB 3.28Å; D436-H440 IonicContact OD1-CD2 2.63Å; D436-H440 IonicContact OD1-CG 3.9Å; T437-H440 PolarHBondContact N-ND1 2.9Å; T437-H440 VanDerWaalsContact N-ND1 3.11Å; T437-H440 WeakPolarHBondContact O-CA 3.47Å; T437-H440 WeakPolarHBondContact O-CB 3.4Å; T437-H440 PolarHBondContact O-N 2.93Å; T437-H440 PolarHBondContact OG1-ND1 3.26Å; H440-A443 PolarHBondContact O-N 3.03Å; H440-E444 VanDerWaalsContact O-CB 3.3Å; H440-E444 WeakPolarHBondContact O-CB 3.35Å; H440-E444 PolarHBondContact O-N 3.22Å; H440-R469 PolarHBondContact NE2-O 3.5Å; H440-K474 HydrophobicContact CB-CD 4.01Å |
| 441 | Y | 94.6 | Very high | 93.8 | Very high | 40 Ų | 40 | 30.1 Ų | 30.1 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.6 | -54.4 | 177.7 | -70.1 | -80.3 | 0 | 0 | 0 | 112 | M407 Q411 T432 D436 T437 A443 N445 W688 | M407-Y441 HydrophobicContact CB-CD2 4.15Å; M407-Y441 HydrophobicContact CB-CE2 4.27Å; M407-Y441 HydrophobicContact CG-CD2 4.36Å; M407-Y441 HydrophobicContact CG-CE2 4.38Å; M407-Y441 HydrophobicContact SD-CE2 4.06Å; Q411-Y441 HydrophobicContact CB-CD1 4.25Å; Q411-Y441 HydrophobicContact CB-CG 4.46Å; Q411-Y441 HydrophobicContact CG-CD1 4.06Å; Q411-Y441 VanDerWaalsContact OE1-CD1 3.25Å; T432-Y441 HydrophobicContact CG2-CE2 4.12Å; D436-Y441 HydrophobicContact CB-CE2 3.84Å; T437-Y441 WeakPolarHBondContact O-CD2 3.37Å; T437-Y441 PolarHBondContact O-N 3.04Å; Y441-A443 VanDerWaalsContact C-N 3.29Å; Y441-A443 PolarHBondContact O-N 3.01Å; Y441-N445 WeakPolarHBondContact O-CB 3.25Å; Y441-N445 PolarHBondContact O-N 3.34Å; Y441-W688 HydrophobicContact CD1-CZ2 4.4Å; Y441-W688 WeakPolarHBondContact O-CH2 3.35Å |
| 442 | A | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.8 | -35.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A410 A438 G446 H447 V450 C451 L454 | A410-A442 HydrophobicContact CB-CB 4.32Å; A410-A442 WeakPolarHBondContact O-CA 3.29Å; A438-A442 WeakPolarHBondContact O-CB 3.5Å; A438-A442 PolarHBondContact O-N 2.81Å; A442-G446 PolarHBondContact O-N 3.47Å; A442-H447 HydrophobicContact CB-CB 4.43Å; A442-H447 PolarHBondContact O-N 3.28Å; A442-V450 HydrophobicContact CB-CB 4.09Å; A442-V450 HydrophobicContact CB-CG1 3.63Å; A442-C451 PolarHBondContact O-SG 3.27Å; A442-C451 VanDerWaalsContact O-SG 3.41Å; A442-L454 HydrophobicContact CB-CD1 4.03Å |
| 443 | A | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -76 | -45.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L439 H440 Y441 N445 G446 C451 P471 A475 V483 F487 | L439-A443 WeakPolarHBondContact O-CB 3.21Å; L439-A443 PolarHBondContact O-N 3.35Å; H440-A443 PolarHBondContact O-N 3.03Å; Y441-A443 VanDerWaalsContact C-N 3.29Å; Y441-A443 PolarHBondContact O-N 3.01Å; A443-N445 PolarHBondContact O-N 2.75Å; A443-G446 PolarHBondContact O-N 2.96Å; A443-C451 VanDerWaalsContact CA-SG 3.53Å; A443-C451 PolarHBondContact N-SG 3.09Å; A443-P471 HydrophobicContact CB-CB 3.89Å; A443-A475 HydrophobicContact CB-CB 4.5Å; A443-A475 WeakPolarHBondContact O-CB 3.4Å; A443-V483 HydrophobicContact CB-CG1 3.81Å; A443-F487 HydrophobicContact CB-CE2 3.63Å; A443-F487 HydrophobicContact CB-CZ 3.61Å |
| 444 | E | 95.1 | Very high | 95 | Very high | 26 Ų | 26 | 28 Ų | 28 | 12% | 0.121 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.5 | -26.9 | -179.1 | -158.5 | -168.5 | -165 | 0 | 0 | 110.8 | H440 K474 T478 H480 W688 | H440-E444 VanDerWaalsContact O-CB 3.3Å; H440-E444 WeakPolarHBondContact O-CB 3.35Å; H440-E444 PolarHBondContact O-N 3.22Å; E444-K474 HydrophobicContact CB-CB 3.69Å; E444-K474 HydrophobicContact CB-CD 3.96Å; E444-K474 HydrophobicContact CB-CG 4.12Å; E444-K474 VanDerWaalsContact CD-CD 3.41Å; E444-K474 VanDerWaalsContact CD-CE 3.48Å; E444-K474 VanDerWaalsContact CD-CG 3.48Å; E444-K474 HydrophobicContact CG-CB 3.54Å; E444-K474 HydrophobicContact CG-CD 3.91Å; E444-K474 HydrophobicContact CG-CG 3.71Å; E444-K474 IonicContact OE1-NZ 3.11Å; E444-K474 WeakPolarHBondContact OE2-CD 3.3Å; E444-K474 WeakPolarHBondContact OE2-CE 3.23Å; E444-K474 IonicContact OE2-NZ 2.83Å; E444-K474 PolarHBondContact OE2-NZ 2.97Å; E444-T478 HydrophobicContact CG-CG2 3.96Å; E444-T478 WeakPolarHBondContact O-CB 3.31Å; E444-T478 WeakPolarHBondContact O-CG2 3.28Å; E444-T478 PolarHBondContact O-OG1 2.81Å; E444-H480 PolarHBondContact O-CD2 3.13Å; E444-H480 PolarHBondContact O-NE2 3.48Å; E444-H480 VanDerWaalsContact O-NE2 3.15Å; E444-W688 HydrophobicContact CB-CH2 3.6Å; E444-W688 HydrophobicContact CB-CZ3 3.35Å; E444-W688 HydrophobicContact CG-CE3 4.45Å; E444-W688 HydrophobicContact CG-CH2 4.12Å; E444-W688 HydrophobicContact CG-CZ3 3.46Å; E444-W688 VanDerWaalsContact CG-CZ3 3.46Å; E444-W688 WeakPolarHBondContact O-CZ3 3.46Å |
| 445 | N | 95 | Very high | 95.4 | Very high | 27 Ų | 27 | 26 Ų | 26 | 14% | 0.144 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -1.7 | 177.2 | -140.9 | 9.2 | 0 | 0 | 0 | 114.4 | Q411 Y441 A443 W688 | Q411-N445 PolarHBondContact O-ND2 2.9Å; Y441-N445 WeakPolarHBondContact O-CB 3.25Å; Y441-N445 PolarHBondContact O-N 3.34Å; A443-N445 PolarHBondContact O-N 2.75Å; N445-W688 HydrophobicContact CB-CD2 4.18Å; N445-W688 HydrophobicContact CB-CE3 4.14Å; N445-W688 HydrophobicContact CB-CH2 3.64Å; N445-W688 HydrophobicContact CB-CZ2 3.7Å; N445-W688 HydrophobicContact CB-CZ3 3.86Å; N445-W688 VanDerWaalsContact CG-CE2 3.41Å; N445-W688 VanDerWaalsContact N-CZ3 3.34Å; N445-W688 PolarHBondContact ND2-NE1 2.92Å; N445-W688 VanDerWaalsContact OD1-CD2 3.24Å |
| 446 | G | 95.1 | Very high | 95.7 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 18% | 0.175 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 14.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | A442 A443 V448 H480 | A442-G446 PolarHBondContact O-N 3.47Å; A443-G446 PolarHBondContact O-N 2.96Å; G446-V448 PolarHBondContact O-N 3.36Å; G446-H480 WeakPolarHBondContact CA-ND1 3.21Å; G446-H480 PolarHBondContact N-CD2 3.06Å; G446-H480 VanDerWaalsContact N-CD2 3.33Å; G446-H480 PolarHBondContact N-NE2 3.46Å |
| 447 | H | 96.8 | Very high | 95.8 | Very high | 79 Ų | 79 | 34.8 Ų | 34.8 | 37% | 0.366 | 17% | 0.166 | S | C | . | . | trans | -77.6 | 69.2 | -179.4 | -64.5 | -47.4 | 0 | 0 | 0 | 112.2 | Q411 A442 K449 V450 C451 | Q411-H447 PolarHBondContact O-CD2 3.24Å; A442-H447 HydrophobicContact CB-CB 4.43Å; A442-H447 PolarHBondContact O-N 3.28Å; H447-K449 VanDerWaalsContact C-N 3.31Å; H447-K449 PolarHBondContact O-N 3.49Å; H447-K449 VanDerWaalsContact O-N 3.14Å; H447-V450 HydrophobicContact CB-CB 3.92Å; H447-V450 HydrophobicContact CB-CG2 4.06Å; H447-V450 WeakPolarHBondContact O-CA 3.12Å; H447-V450 WeakPolarHBondContact O-CB 3.49Å; H447-V450 PolarHBondContact O-N 2.99Å; H447-C451 PolarHBondContact O-N 2.86Å; H447-C451 PolarHBondContact O-SG 2.76Å; H447-C451 VanDerWaalsContact O-SG 3.37Å | ||
| 448 | V | 95.9 | Very high | 95.8 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 19% | 0.194 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -45.7 | -49.6 | -174.6 | -174.9 | 0 | 0 | 0 | 0 | 112.7 | G446 V450 C451 E452 E482 V483 L486 | G446-V448 PolarHBondContact O-N 3.36Å; V448-V450 VanDerWaalsContact C-N 3.32Å; V448-V450 PolarHBondContact O-N 3.22Å; V448-C451 WeakPolarHBondContact O-CB 3.39Å; V448-C451 PolarHBondContact O-N 3.28Å; V448-C451 VanDerWaalsContact O-N 3.16Å; V448-E452 WeakPolarHBondContact O-CG 3.43Å; V448-E452 PolarHBondContact O-N 3.21Å; V448-E482 HydrophobicContact CG2-CB 3.7Å; V448-V483 HydrophobicContact CG2-CG2 3.84Å; V448-L486 HydrophobicContact CG1-CD2 4.25Å |
| 449 | K | 97.1 | Very high | 95.7 | Very high | 144 Ų | 144 | 36.8 Ų | 36.8 | 63% | 0.626 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -66.7 | -30 | -178.8 | -63.8 | 176.1 | -175.8 | 168.6 | 0 | 113.7 | L415 H447 K453 | L415-K449 HydrophobicContact CD1-CB 4.3Å; L415-K449 HydrophobicContact CD2-CB 3.9Å; L415-K449 HydrophobicContact CD2-CD 4.16Å; H447-K449 VanDerWaalsContact C-N 3.31Å; H447-K449 PolarHBondContact O-N 3.49Å; H447-K449 VanDerWaalsContact O-N 3.14Å; K449-K453 WeakPolarHBondContact O-CB 3.39Å; K449-K453 PolarHBondContact O-N 3.3Å |
| 450 | V | 97.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.7 | -40.9 | 173.7 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | A410 L415 V418 A442 H447 V448 K453 L454 | A410-V450 HydrophobicContact CB-CG1 3.87Å; L415-V450 HydrophobicContact CB-CG2 4.28Å; L415-V450 HydrophobicContact CD1-CG2 4.03Å; V418-V450 HydrophobicContact CG1-CG1 4.35Å; V418-V450 HydrophobicContact CG2-CG1 4.21Å; A442-V450 HydrophobicContact CB-CB 4.09Å; A442-V450 HydrophobicContact CB-CG1 3.63Å; H447-V450 HydrophobicContact CB-CB 3.92Å; H447-V450 HydrophobicContact CB-CG2 4.06Å; H447-V450 WeakPolarHBondContact O-CA 3.12Å; H447-V450 WeakPolarHBondContact O-CB 3.49Å; H447-V450 PolarHBondContact O-N 2.99Å; V448-V450 VanDerWaalsContact C-N 3.32Å; V448-V450 PolarHBondContact O-N 3.22Å; V450-K453 PolarHBondContact O-N 2.88Å; V450-L454 HydrophobicContact CG1-CD1 3.84Å; V450-L454 HydrophobicContact CG1-CG 4.23Å; V450-L454 WeakPolarHBondContact O-CB 3.5Å; V450-L454 VanDerWaalsContact O-CG 3.29Å; V450-L454 WeakPolarHBondContact O-CG 3.15Å; V450-L454 PolarHBondContact O-N 3.19Å |
| 451 | C | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.3 | -48.9 | 171.9 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | L439 A442 A443 H447 V448 K453 L454 L455 L486 F487 | L439-C451 HydrophobicContact CD1-CB 4.06Å; A442-C451 PolarHBondContact O-SG 3.27Å; A442-C451 VanDerWaalsContact O-SG 3.41Å; A443-C451 VanDerWaalsContact CA-SG 3.53Å; A443-C451 PolarHBondContact N-SG 3.09Å; H447-C451 PolarHBondContact O-N 2.86Å; H447-C451 PolarHBondContact O-SG 2.76Å; H447-C451 VanDerWaalsContact O-SG 3.37Å; V448-C451 WeakPolarHBondContact O-CB 3.39Å; V448-C451 PolarHBondContact O-N 3.28Å; V448-C451 VanDerWaalsContact O-N 3.16Å; C451-K453 VanDerWaalsContact C-N 3.31Å; C451-K453 PolarHBondContact O-N 2.96Å; C451-L454 PolarHBondContact O-N 2.92Å; C451-L455 WeakPolarHBondContact O-CB 3.15Å; C451-L455 WeakPolarHBondContact O-CG 3.48Å; C451-L455 PolarHBondContact O-N 3.39Å; C451-L486 HydrophobicContact CB-CD2 3.94Å; C451-F487 HydrophobicContact CB-CE1 4.26Å; C451-F487 HydrophobicContact CB-CZ 4.5Å |
| 452 | E | 95.9 | Very high | 94.5 | Very high | 77 Ų | 77 | 44 Ų | 44 | 36% | 0.36 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -53.6 | -49.2 | 172.7 | -72.2 | -176.5 | 123.3 | 0 | 0 | 110.9 | V448 L455 D456 L486 | V448-E452 WeakPolarHBondContact O-CG 3.43Å; V448-E452 PolarHBondContact O-N 3.21Å; E452-L455 PolarHBondContact O-N 2.84Å; E452-D456 PolarHBondContact O-N 2.7Å; E452-L486 HydrophobicContact CG-CD1 4.02Å; E452-L486 HydrophobicContact CG-CD2 3.69Å |
| 453 | K | 96.9 | Very high | 94 | Very high | 42 Ų | 42 | 45 Ų | 45 | 18% | 0.183 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.5 | -37.5 | -175.3 | -167.8 | 49.1 | 174.3 | 150.7 | 0 | 113 | L415 R419 K449 V450 C451 D456 W457 | L415-K453 HydrophobicContact CD1-CB 4.14Å; R419-K453 HydrophobicContact CG-CG 4.1Å; K449-K453 WeakPolarHBondContact O-CB 3.39Å; K449-K453 PolarHBondContact O-N 3.3Å; V450-K453 PolarHBondContact O-N 2.88Å; C451-K453 VanDerWaalsContact C-N 3.31Å; C451-K453 PolarHBondContact O-N 2.96Å; K453-D456 PolarHBondContact O-N 2.77Å; K453-W457 VanDerWaalsContact CE-NE1 3.31Å; K453-W457 VanDerWaalsContact O-CD1 3.29Å; K453-W457 PolarHBondContact O-N 3.45Å |
| 454 | L | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 173.5 | -70.9 | 170.2 | 0 | 0 | 0 | 111.3 | L406 A410 V418 L422 V428 A438 L439 A442 V450 C451 W457 G458 A459 | L406-L454 HydrophobicContact CD1-CD2 4.33Å; A410-L454 HydrophobicContact CB-CD1 4.17Å; V418-L454 HydrophobicContact CG1-CD2 4.37Å; L422-L454 HydrophobicContact CD1-CD2 4.28Å; V428-L454 HydrophobicContact CG2-CD2 3.96Å; A438-L454 HydrophobicContact CB-CD1 4Å; A438-L454 HydrophobicContact CB-CD2 4.12Å; A438-L454 WeakPolarHBondContact O-CD1 3.4Å; L439-L454 HydrophobicContact CB-CD1 4.4Å; L439-L454 HydrophobicContact CD1-CB 4.36Å; A442-L454 HydrophobicContact CB-CD1 4.03Å; V450-L454 HydrophobicContact CG1-CD1 3.84Å; V450-L454 HydrophobicContact CG1-CG 4.23Å; V450-L454 WeakPolarHBondContact O-CB 3.5Å; V450-L454 VanDerWaalsContact O-CG 3.29Å; V450-L454 WeakPolarHBondContact O-CG 3.15Å; V450-L454 PolarHBondContact O-N 3.19Å; C451-L454 PolarHBondContact O-N 2.92Å; L454-W457 CarbonylContact O-C 3.37Å; L454-W457 PolarHBondContact O-N 2.82Å; L454-G458 PolarHBondContact O-N 3.25Å; L454-A459 HydrophobicContact CB-CB 3.93Å; L454-A459 VanDerWaalsContact O-CB 3.25Å; L454-A459 WeakPolarHBondContact O-CB 3.27Å; L454-A459 PolarHBondContact O-N 3.03Å |
| 455 | L | 94.2 | Very high | 93.4 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 174.4 | -72.9 | 170.8 | 0 | 0 | 0 | 112.2 | L439 C451 E452 W457 G458 L486 F487 R490 | L439-L455 HydrophobicContact CD1-CG 4.37Å; L439-L455 HydrophobicContact CD2-CD2 3.94Å; C451-L455 WeakPolarHBondContact O-CB 3.15Å; C451-L455 WeakPolarHBondContact O-CG 3.48Å; C451-L455 PolarHBondContact O-N 3.39Å; E452-L455 PolarHBondContact O-N 2.84Å; L455-W457 PolarHBondContact O-N 3.3Å; L455-G458 PolarHBondContact O-N 3.39Å; L455-L486 HydrophobicContact CD1-CD2 4.3Å; L455-L486 HydrophobicContact CD1-CG 4.41Å; L455-F487 HydrophobicContact CD1-CD1 4.23Å; L455-F487 HydrophobicContact CD1-CE1 3.96Å; L455-R490 HydrophobicContact CD1-CG 4.48Å |
| 456 | D | 94.3 | Very high | 92.9 | Very high | 106 Ų | 106 | 54.6 Ų | 54.6 | 57% | 0.567 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.1 | -27.7 | 175.9 | -75.7 | -1.1 | 0 | 0 | 0 | 113.1 | E452 K453 R490 | E452-D456 PolarHBondContact O-N 2.7Å; K453-D456 PolarHBondContact O-N 2.77Å; D456-R490 IonicContact OD1-NH1 2.72Å |
| 457 | W | 95.6 | Very high | 92.2 | Very high | 106 Ų | 106 | 55.2 Ų | 55.2 | 40% | 0.402 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 1.1 | 173.8 | -80.4 | 95.9 | 0 | 0 | 0 | 113.7 | L422 E423 V428 K453 L454 L455 | L422-W457 HydrophobicContact CB-CD2 4.01Å; L422-W457 HydrophobicContact CB-CE3 4.42Å; L422-W457 HydrophobicContact CB-CG 4.4Å; L422-W457 HydrophobicContact CB-CH2 4.34Å; L422-W457 HydrophobicContact CB-CZ2 3.91Å; L422-W457 HydrophobicContact CD1-CB 4.39Å; L422-W457 HydrophobicContact CD1-CD2 4.44Å; L422-W457 HydrophobicContact CD1-CG 3.95Å; L422-W457 HydrophobicContact CD2-CB 4.37Å; L422-W457 HydrophobicContact CD2-CD2 4.46Å; L422-W457 HydrophobicContact CD2-CG 4.33Å; L422-W457 HydrophobicContact CG-CG 4.47Å; L422-W457 WeakPolarHBondContact O-CH2 3.16Å; E423-W457 HydrophobicContact CG-CH2 4.39Å; E423-W457 HydrophobicContact CG-CZ2 3.92Å; V428-W457 HydrophobicContact CG2-CB 4.06Å; K453-W457 VanDerWaalsContact CE-NE1 3.31Å; K453-W457 VanDerWaalsContact O-CD1 3.29Å; K453-W457 PolarHBondContact O-N 3.45Å; L454-W457 CarbonylContact O-C 3.37Å; L454-W457 PolarHBondContact O-N 2.82Å; L455-W457 PolarHBondContact O-N 3.3Å |
| 458 | G | 93.1 | Very high | 91.8 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | 25.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116 | N429 L454 L455 | N429-G458 PolarHBondContact ND2-O 2.97Å; L454-G458 PolarHBondContact O-N 3.25Å; L455-G458 PolarHBondContact O-N 3.39Å |
| 459 | A | 94 | Very high | 91.5 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | trans | -60.3 | 136.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V428 N429 L439 L454 F461 | V428-A459 HydrophobicContact CG2-CB 4.07Å; N429-A459 WeakPolarHBondContact OD1-CA 3.31Å; L439-A459 HydrophobicContact CB-CB 4.07Å; L439-A459 HydrophobicContact CD2-CB 3.86Å; L439-A459 HydrophobicContact CG-CB 4.42Å; L454-A459 HydrophobicContact CB-CB 3.93Å; L454-A459 VanDerWaalsContact O-CB 3.25Å; L454-A459 WeakPolarHBondContact O-CB 3.27Å; L454-A459 PolarHBondContact O-N 3.03Å; A459-F461 PolarHBondContact O-N 3.41Å | ||
| 460 | V | 90.6 | Very high | 91.4 | Very high | 55 Ų | 55 | 45.7 Ų | 45.7 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | trans | -86.9 | 108.3 | -175.1 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | N429 G462 A463 | N429-V460 PolarHBondContact OD1-N 3.28Å; V460-G462 PolarHBondContact O-N 2.89Å; V460-A463 HydrophobicContact CB-CB 4.43Å; V460-A463 VanDerWaalsContact O-CB 3.3Å; V460-A463 WeakPolarHBondContact O-CB 3.28Å; V460-A463 PolarHBondContact O-N 3.28Å; V460-A463 VanDerWaalsContact O-N 3.13Å | ||
| 461 | F | 85.2 | Confident | 91.2 | Very high | 104 Ų | 104 | 45.5 Ų | 45.5 | 46% | 0.456 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29 | 176.4 | 63.5 | -95.7 | 0 | 0 | 0 | 114.5 | A459 V492 | A459-F461 PolarHBondContact O-N 3.41Å; F461-V492 HydrophobicContact CB-CG2 3.81Å; F461-V492 HydrophobicContact CD2-CB 4.49Å; F461-V492 HydrophobicContact CD2-CG1 4.38Å; F461-V492 HydrophobicContact CD2-CG2 3.7Å; F461-V492 HydrophobicContact CG-CG2 3.91Å |
| 462 | G | 84.1 | Confident | 91.1 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 12.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | V460 | V460-G462 PolarHBondContact O-N 2.89Š|
| 463 | A | 88 | Confident | 91 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | trans | -62 | 149.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T437 V460 | T437-A463 HydrophobicContact CG2-CB 4.25Å; V460-A463 HydrophobicContact CB-CB 4.43Å; V460-A463 VanDerWaalsContact O-CB 3.3Å; V460-A463 WeakPolarHBondContact O-CB 3.28Å; V460-A463 PolarHBondContact O-N 3.28Å; V460-A463 VanDerWaalsContact O-N 3.13Å | ||
| 464 | M | 88.8 | Confident | 90.9 | Very high | 85 Ų | 85 | 41.1 Ų | 41.1 | 42% | 0.419 | 23% | 0.228 | S | C | . | . | trans | -135.1 | 136.9 | -176.3 | -66.6 | 179.7 | -170.9 | 0 | 0 | 109.8 | R469 T470 | M464-R469 WeakPolarHBondContact CA-O 3.22Å; M464-T470 HydrophobicContact CG-CG2 4.05Å | ||
| 465 | T | 90.1 | Very high | 90.8 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | trans | -65.8 | 171.7 | 165.9 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | T434 D436 G467 G468 R469 | T434-T465 CarbonylContact O-C 3.08Å; T434-T465 WeakPolarHBondContact O-CA 3.34Å; T434-T465 WeakPolarHBondContact O-CB 3.17Å; D436-T465 HydrophobicContact CB-CG2 4.5Å; D436-T465 VanDerWaalsContact CG-CG2 3.45Å; D436-T465 VanDerWaalsContact OD1-CG2 3.29Å; D436-T465 WeakPolarHBondContact OD1-CG2 3.39Å; D436-T465 WeakPolarHBondContact OD2-CG2 3.31Å; T465-G467 PolarHBondContact O-N 3.05Å; T465-G467 PolarHBondContact OG1-N 2.81Å; T465-G468 WeakPolarHBondContact O-CA 3.47Å; T465-G468 PolarHBondContact O-N 3.18Å; T465-R469 HydrophobicContact CG2-CB 4.44Å; T465-R469 PolarHBondContact N-O 3.15Å; T465-R469 PolarHBondContact OG1-N 2.97Å; T465-R469 VanDerWaalsContact OG1-N 3.09Å | ||
| 466 | E | 84.6 | Confident | 90.9 | Very high | 152 Ų | 152 | 39.9 Ų | 39.9 | 71% | 0.71 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.8 | 170.3 | -69.2 | -162.3 | 121.7 | 0 | 0 | 112.2 | T434 G468 | T434-E466 PolarHBondContact O-N 3.38Å; E466-G468 PolarHBondContact O-N 2.93Å |
| 467 | G | 80.1 | Confident | 90.9 | Very high | 31 Ų | 31 | 37.5 Ų | 37.5 | 32% | 0.32 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 3.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T465 R469 | T465-G467 PolarHBondContact O-N 3.05Å; T465-G467 PolarHBondContact OG1-N 2.81Å; G467-R469 VanDerWaalsContact C-N 3.26Å; G467-R469 PolarHBondContact O-N 3.11Å |
| 468 | G | 87.6 | Confident | 90.7 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | trans | 71.8 | 12.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T465 E466 T498 S499 | T465-G468 WeakPolarHBondContact O-CA 3.47Å; T465-G468 PolarHBondContact O-N 3.18Å; E466-G468 PolarHBondContact O-N 2.93Å; G468-T498 WeakPolarHBondContact O-CA 3.26Å; G468-S499 WeakPolarHBondContact CA-OG 3.38Å | ||
| 469 | R | 91 | Very high | 90.8 | Very high | 45 Ų | 45 | 32.8 Ų | 32.8 | 17% | 0.17 | 18% | 0.183 | C | C | . | . | trans | -80.6 | 134.7 | -177.2 | -64.5 | -177 | 175.7 | -170.8 | -6.6 | 110.3 | H440 M464 T465 G467 M473 T498 D1133 | H440-R469 PolarHBondContact NE2-O 3.5Å; M464-R469 WeakPolarHBondContact CA-O 3.22Å; T465-R469 HydrophobicContact CG2-CB 4.44Å; T465-R469 PolarHBondContact N-O 3.15Å; T465-R469 PolarHBondContact OG1-N 2.97Å; T465-R469 VanDerWaalsContact OG1-N 3.09Å; G467-R469 VanDerWaalsContact C-N 3.26Å; G467-R469 PolarHBondContact O-N 3.11Å; R469-M473 HydrophobicContact CB-SD 4.36Å; R469-T498 HydrophobicContact CG-CG2 4.23Å; R469-D1133 IonicContact CZ-OD1 2.88Å; R469-D1133 IonicContact NH1-OD1 3.59Å; R469-D1133 IonicContact NH2-OD1 2.99Å; R469-D1133 PolarHBondContact NH2-OD1 3.35Å | ||
| 470 | T | 93.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 5% | 0.049 | 19% | 0.191 | C | C | . | . | trans | -97.6 | 163.6 | 174.9 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | M464 L472 M473 K474 | M464-T470 HydrophobicContact CG-CG2 4.05Å; T470-L472 PolarHBondContact O-N 2.9Å; T470-L472 VanDerWaalsContact O-N 3.17Å; T470-M473 HydrophobicContact CG2-CE 4.29Å; T470-M473 HydrophobicContact CG2-SD 4.45Å; T470-M473 PolarHBondContact N-SD 3.4Å; T470-M473 PolarHBondContact O-N 3.08Å; T470-M473 VanDerWaalsContact O-N 3.15Å; T470-M473 WeakPolarHBondContact OG1-CG 3.44Å; T470-M473 PolarHBondContact OG1-N 3.05Å; T470-K474 WeakPolarHBondContact O-CB 3.34Å; T470-K474 PolarHBondContact O-N 3.49Å | ||
| 471 | P | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.1 | -32.2 | 171.3 | -27.5 | 36.2 | 0 | 0 | 0 | 113.7 | L439 A443 A475 F487 | L439-P471 HydrophobicContact CD2-CG 4.26Å; L439-P471 HydrophobicContact CG-CB 4.25Å; L439-P471 HydrophobicContact CG-CG 4.17Å; A443-P471 HydrophobicContact CB-CB 3.89Å; P471-A475 WeakPolarHBondContact O-CB 3.48Å; P471-A475 PolarHBondContact O-N 3.25Å; P471-F487 HydrophobicContact CB-CE2 3.65Å; P471-F487 HydrophobicContact CB-CZ 4.09Å |
| 472 | L | 94.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.6 | -49 | 175.8 | 179.4 | 71.1 | 0 | 0 | 0 | 112.2 | T470 K474 A475 A476 V484 F487 L488 V492 A505 | T470-L472 PolarHBondContact O-N 2.9Å; T470-L472 VanDerWaalsContact O-N 3.17Å; L472-K474 PolarHBondContact O-N 3.11Å; L472-A475 PolarHBondContact O-N 2.84Å; L472-A476 VanDerWaalsContact O-CB 3.28Å; L472-A476 WeakPolarHBondContact O-CB 3.22Å; L472-A476 PolarHBondContact O-N 3.21Å; L472-V484 HydrophobicContact CD1-CB 4.32Å; L472-V484 HydrophobicContact CD1-CG1 3.97Å; L472-V484 HydrophobicContact CD1-CG2 4.11Å; L472-F487 HydrophobicContact CB-CD2 4.15Å; L472-F487 HydrophobicContact CD1-CB 3.97Å; L472-F487 HydrophobicContact CD1-CD2 4.19Å; L472-L488 HydrophobicContact CD1-CD2 4.45Å; L472-L488 HydrophobicContact CD2-CD2 4.3Å; L472-V492 HydrophobicContact CB-CG1 4.25Å; L472-V492 HydrophobicContact CD2-CB 4.37Å; L472-V492 HydrophobicContact CD2-CG1 3.69Å; L472-A505 HydrophobicContact CD2-CB 4.32Å; L472-A505 HydrophobicContact CG-CB 4.33Å |
| 473 | M | 94.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.9 | -42 | 176.1 | -72.8 | 170.9 | -170.8 | 0 | 0 | 111.2 | R469 T470 A476 R477 Q496 T498 L508 | R469-M473 HydrophobicContact CB-SD 4.36Å; T470-M473 HydrophobicContact CG2-CE 4.29Å; T470-M473 HydrophobicContact CG2-SD 4.45Å; T470-M473 PolarHBondContact N-SD 3.4Å; T470-M473 PolarHBondContact O-N 3.08Å; T470-M473 VanDerWaalsContact O-N 3.15Å; T470-M473 WeakPolarHBondContact OG1-CG 3.44Å; T470-M473 PolarHBondContact OG1-N 3.05Å; M473-A476 PolarHBondContact O-N 2.92Å; M473-R477 WeakPolarHBondContact O-CB 3.33Å; M473-R477 PolarHBondContact O-N 3.48Å; M473-Q496 HydrophobicContact CE-CG 4.49Å; M473-Q496 WeakPolarHBondContact CE-O 3.5Å; M473-T498 HydrophobicContact CE-CG2 4.05Å; M473-T498 HydrophobicContact SD-CG2 3.72Å; M473-L508 HydrophobicContact CB-CD1 3.66Å; M473-L508 HydrophobicContact CG-CD1 4.25Å; M473-L508 WeakPolarHBondContact O-CD1 3.36Å |
| 474 | K | 93.3 | Very high | 92.4 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.1 | -55.2 | 176.1 | -96.8 | -165.3 | 164.9 | -150.4 | 0 | 112 | D436 H440 E444 T470 L472 A476 R477 T478 | D436-K474 WeakPolarHBondContact OD1-CE 3.43Å; D436-K474 IonicContact OD1-NZ 2.88Å; D436-K474 PolarHBondContact OD1-NZ 3.01Å; H440-K474 HydrophobicContact CB-CD 4.01Å; E444-K474 HydrophobicContact CB-CB 3.69Å; E444-K474 HydrophobicContact CB-CD 3.96Å; E444-K474 HydrophobicContact CB-CG 4.12Å; E444-K474 VanDerWaalsContact CD-CD 3.41Å; E444-K474 VanDerWaalsContact CD-CE 3.48Å; E444-K474 VanDerWaalsContact CD-CG 3.48Å; E444-K474 HydrophobicContact CG-CB 3.54Å; E444-K474 HydrophobicContact CG-CD 3.91Å; E444-K474 HydrophobicContact CG-CG 3.71Å; E444-K474 IonicContact OE1-NZ 3.11Å; E444-K474 WeakPolarHBondContact OE2-CD 3.3Å; E444-K474 WeakPolarHBondContact OE2-CE 3.23Å; E444-K474 IonicContact OE2-NZ 2.83Å; E444-K474 PolarHBondContact OE2-NZ 2.97Å; T470-K474 WeakPolarHBondContact O-CB 3.34Å; T470-K474 PolarHBondContact O-N 3.49Å; L472-K474 PolarHBondContact O-N 3.11Å; K474-A476 VanDerWaalsContact C-N 3.29Å; K474-A476 PolarHBondContact O-N 2.87Å; K474-R477 WeakPolarHBondContact O-CB 3.37Å; K474-R477 PolarHBondContact O-N 3.31Å; K474-R477 VanDerWaalsContact O-N 3.15Å; K474-T478 PolarHBondContact O-N 3.09Å; K474-T478 PolarHBondContact O-OG1 3.16Å |
| 475 | A | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -32.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | A443 P471 L472 G479 H480 V483 V484 | A443-A475 HydrophobicContact CB-CB 4.5Å; A443-A475 WeakPolarHBondContact O-CB 3.4Å; P471-A475 WeakPolarHBondContact O-CB 3.48Å; P471-A475 PolarHBondContact O-N 3.25Å; L472-A475 PolarHBondContact O-N 2.84Å; A475-G479 PolarHBondContact O-N 3.39Å; A475-H480 PolarHBondContact O-N 2.94Å; A475-V483 HydrophobicContact CB-CB 4.07Å; A475-V483 HydrophobicContact CB-CG1 3.68Å; A475-V484 HydrophobicContact CB-CG2 3.85Å |
| 476 | A | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.8 | -31.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L472 M473 K474 V484 A505 H514 | L472-A476 VanDerWaalsContact O-CB 3.28Å; L472-A476 WeakPolarHBondContact O-CB 3.22Å; L472-A476 PolarHBondContact O-N 3.21Å; M473-A476 PolarHBondContact O-N 2.92Å; K474-A476 VanDerWaalsContact C-N 3.29Å; K474-A476 PolarHBondContact O-N 2.87Å; A476-V484 HydrophobicContact CB-CG2 4.36Å; A476-A505 HydrophobicContact CB-CB 4.18Å; A476-H514 PolarHBondContact O-CD2 3Å |
| 477 | R | 93.7 | Very high | 93.2 | Very high | 56 Ų | 56 | 25 Ų | 25 | 21% | 0.211 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.5 | -41.3 | 176.7 | -179.3 | -177.5 | 145.7 | 72.1 | 15.2 | 112.6 | M473 K474 L508 H514 D1133 A1134 | M473-R477 WeakPolarHBondContact O-CB 3.33Å; M473-R477 PolarHBondContact O-N 3.48Å; K474-R477 WeakPolarHBondContact O-CB 3.37Å; K474-R477 PolarHBondContact O-N 3.31Å; K474-R477 VanDerWaalsContact O-N 3.15Å; R477-L508 HydrophobicContact CB-CB 3.97Å; R477-L508 HydrophobicContact CB-CD1 4.42Å; R477-L508 HydrophobicContact CG-CD2 4.38Å; R477-H514 PolarHBondContact O-CD2 3.24Å; R477-H514 PolarHBondContact O-NE2 3.15Å; R477-D1133 IonicContact NH1-OD1 3.51Å; R477-A1134 VanDerWaalsContact CZ-O 3.31Å; R477-A1134 PolarHBondContact NH1-O 3.04Å; R477-A1134 PolarHBondContact NH2-O 3.45Å |
| 478 | T | 93 | Very high | 93.8 | Very high | 24 Ų | 24 | 25 Ų | 25 | 15% | 0.147 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -86.6 | -18.1 | 176.9 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | E444 K474 H480 H514 | E444-T478 HydrophobicContact CG-CG2 3.96Å; E444-T478 WeakPolarHBondContact O-CB 3.31Å; E444-T478 WeakPolarHBondContact O-CG2 3.28Å; E444-T478 PolarHBondContact O-OG1 2.81Å; K474-T478 PolarHBondContact O-N 3.09Å; K474-T478 PolarHBondContact O-OG1 3.16Å; T478-H480 PolarHBondContact OG1-CD2 3.06Å; T478-H514 PolarHBondContact O-CE1 3.48Å; T478-H514 VanDerWaalsContact O-CE1 3.26Å; T478-H514 PolarHBondContact O-NE2 3.14Å |
| 479 | G | 93.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 24% | 0.237 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | 14.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A475 L481 M517 | A475-G479 PolarHBondContact O-N 3.39Å; G479-L481 VanDerWaalsContact C-N 3.33Å; G479-L481 PolarHBondContact O-N 3.39Å; G479-M517 WeakPolarHBondContact O-CE 3.44Å |
| 480 | H | 96 | Very high | 93.6 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 21% | 0.213 | 17% | 0.173 | C | C | . | . | trans | -74.1 | 82 | -179.2 | -61.1 | -67.5 | 0 | 0 | 0 | 112.4 | E444 G446 A475 T478 E482 V483 V484 | E444-H480 PolarHBondContact O-CD2 3.13Å; E444-H480 PolarHBondContact O-NE2 3.48Å; E444-H480 VanDerWaalsContact O-NE2 3.15Å; G446-H480 WeakPolarHBondContact CA-ND1 3.21Å; G446-H480 PolarHBondContact N-CD2 3.06Å; G446-H480 VanDerWaalsContact N-CD2 3.33Å; G446-H480 PolarHBondContact N-NE2 3.46Å; A475-H480 PolarHBondContact O-N 2.94Å; T478-H480 PolarHBondContact OG1-CD2 3.06Å; H480-E482 PolarHBondContact O-N 2.69Å; H480-V483 HydrophobicContact CB-CB 4.19Å; H480-V483 HydrophobicContact CB-CG2 4.08Å; H480-V483 PolarHBondContact O-N 3.17Å; H480-V484 PolarHBondContact O-N 3.27Å; H480-V484 VanDerWaalsContact O-N 3.1Å | ||
| 481 | L | 94.5 | Very high | 93.1 | Very high | 48 Ų | 48 | 38.7 Ų | 38.7 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55 | -36.1 | -175.9 | -176.9 | 60.6 | 0 | 0 | 0 | 113.4 | G479 V484 Q485 M517 F520 | G479-L481 VanDerWaalsContact C-N 3.33Å; G479-L481 PolarHBondContact O-N 3.39Å; L481-V484 PolarHBondContact O-N 3.05Å; L481-Q485 WeakPolarHBondContact O-CB 3.3Å; L481-Q485 VanDerWaalsContact O-CG 3.25Å; L481-Q485 WeakPolarHBondContact O-CG 3.35Å; L481-Q485 PolarHBondContact O-N 2.84Å; L481-M517 HydrophobicContact CB-CE 4.21Å; L481-M517 HydrophobicContact CD1-CE 4.47Å; L481-M517 HydrophobicContact CD1-SD 3.9Å; L481-F520 HydrophobicContact CD1-CB 3.77Å; L481-F520 HydrophobicContact CD1-CD1 3.69Å; L481-F520 HydrophobicContact CD1-CD2 4.29Å; L481-F520 HydrophobicContact CD1-CE1 4.37Å; L481-F520 HydrophobicContact CD1-CG 3.65Å |
| 482 | E | 94.6 | Very high | 92.8 | Very high | 133 Ų | 133 | 39.7 Ų | 39.7 | 62% | 0.621 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -68.9 | -34.9 | 178.7 | -64.4 | -178.7 | -163.9 | 0 | 0 | 112.7 | V448 H480 L486 | V448-E482 HydrophobicContact CG2-CB 3.7Å; H480-E482 PolarHBondContact O-N 2.69Å; E482-L486 WeakPolarHBondContact O-CB 3.19Å; E482-L486 PolarHBondContact O-N 2.88Å |
| 483 | V | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.3 | -42 | 173.2 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | A443 V448 A475 H480 Q485 L486 F487 | A443-V483 HydrophobicContact CB-CG1 3.81Å; V448-V483 HydrophobicContact CG2-CG2 3.84Å; A475-V483 HydrophobicContact CB-CB 4.07Å; A475-V483 HydrophobicContact CB-CG1 3.68Å; H480-V483 HydrophobicContact CB-CB 4.19Å; H480-V483 HydrophobicContact CB-CG2 4.08Å; H480-V483 PolarHBondContact O-N 3.17Å; V483-Q485 VanDerWaalsContact C-N 3.35Å; V483-L486 PolarHBondContact O-N 3.18Å; V483-F487 HydrophobicContact CG1-CD2 4.02Å; V483-F487 HydrophobicContact CG1-CE1 4.13Å; V483-F487 HydrophobicContact CG1-CE2 3.56Å; V483-F487 HydrophobicContact CG1-CG 4.5Å; V483-F487 HydrophobicContact CG1-CZ 3.64Å; V483-F487 WeakPolarHBondContact O-CG 3.4Å; V483-F487 PolarHBondContact O-N 3.45Å |
| 484 | V | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -39.5 | 176 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | L472 A475 A476 H480 L481 F487 L488 M517 F520 L521 | L472-V484 HydrophobicContact CD1-CB 4.32Å; L472-V484 HydrophobicContact CD1-CG1 3.97Å; L472-V484 HydrophobicContact CD1-CG2 4.11Å; A475-V484 HydrophobicContact CB-CG2 3.85Å; A476-V484 HydrophobicContact CB-CG2 4.36Å; H480-V484 PolarHBondContact O-N 3.27Å; H480-V484 VanDerWaalsContact O-N 3.1Å; L481-V484 PolarHBondContact O-N 3.05Å; V484-F487 PolarHBondContact O-N 2.79Å; V484-L488 HydrophobicContact CG1-CG 4.48Å; V484-L488 WeakPolarHBondContact O-CG 3.46Å; V484-L488 PolarHBondContact O-N 3.2Å; V484-M517 HydrophobicContact CB-CE 4.03Å; V484-M517 HydrophobicContact CB-SD 3.72Å; V484-M517 HydrophobicContact CG1-SD 3.69Å; V484-M517 HydrophobicContact CG2-CE 3.56Å; V484-M517 HydrophobicContact CG2-SD 3.64Å; V484-F520 HydrophobicContact CG1-CD1 4.33Å; V484-F520 HydrophobicContact CG1-CE1 4.25Å; V484-L521 HydrophobicContact CG1-CD2 4.14Å |
| 485 | Q | 94.5 | Very high | 91.9 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.2 | -53.9 | 171.2 | -80.7 | 167.6 | -3.3 | 0 | 0 | 111.4 | L481 V483 F487 L488 E489 F520 | L481-Q485 WeakPolarHBondContact O-CB 3.3Å; L481-Q485 VanDerWaalsContact O-CG 3.25Å; L481-Q485 WeakPolarHBondContact O-CG 3.35Å; L481-Q485 PolarHBondContact O-N 2.84Å; V483-Q485 VanDerWaalsContact C-N 3.35Å; Q485-F487 PolarHBondContact O-N 2.84Å; Q485-L488 PolarHBondContact O-N 2.81Å; Q485-E489 WeakPolarHBondContact O-CB 3.15Å; Q485-E489 WeakPolarHBondContact O-CG 3.46Å; Q485-E489 PolarHBondContact O-N 3.41Å; Q485-F520 HydrophobicContact CB-CZ 4.36Å; Q485-F520 HydrophobicContact CG-CE1 3.75Å; Q485-F520 HydrophobicContact CG-CE2 3.81Å; Q485-F520 HydrophobicContact CG-CZ 3.33Å |
| 486 | L | 93.5 | Very high | 91.5 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53 | -42 | 176.3 | 175.3 | 65.1 | 0 | 0 | 0 | 111.9 | V448 C451 E452 L455 E482 V483 R490 | V448-L486 HydrophobicContact CG1-CD2 4.25Å; C451-L486 HydrophobicContact CB-CD2 3.94Å; E452-L486 HydrophobicContact CG-CD1 4.02Å; E452-L486 HydrophobicContact CG-CD2 3.69Å; L455-L486 HydrophobicContact CD1-CD2 4.3Å; L455-L486 HydrophobicContact CD1-CG 4.41Å; E482-L486 WeakPolarHBondContact O-CB 3.19Å; E482-L486 PolarHBondContact O-N 2.88Å; V483-L486 PolarHBondContact O-N 3.18Å; L486-R490 HydrophobicContact CD1-CG 4.36Å; L486-R490 WeakPolarHBondContact O-CG 3.26Å; L486-R490 PolarHBondContact O-N 3.37Å; L486-R490 VanDerWaalsContact O-N 3.13Å |
| 487 | F | 93.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.7 | -39 | -179.1 | -68.9 | -6.9 | 0 | 0 | 0 | 113.6 | L439 A443 C451 L455 P471 L472 V483 V484 Q485 R490 G491 V492 | L439-F487 HydrophobicContact CD1-CE1 4.23Å; L439-F487 HydrophobicContact CD1-CZ 3.96Å; L439-F487 HydrophobicContact CG-CZ 4.32Å; A443-F487 HydrophobicContact CB-CE2 3.63Å; A443-F487 HydrophobicContact CB-CZ 3.61Å; C451-F487 HydrophobicContact CB-CE1 4.26Å; C451-F487 HydrophobicContact CB-CZ 4.5Å; L455-F487 HydrophobicContact CD1-CD1 4.23Å; L455-F487 HydrophobicContact CD1-CE1 3.96Å; P471-F487 HydrophobicContact CB-CE2 3.65Å; P471-F487 HydrophobicContact CB-CZ 4.09Å; L472-F487 HydrophobicContact CB-CD2 4.15Å; L472-F487 HydrophobicContact CD1-CB 3.97Å; L472-F487 HydrophobicContact CD1-CD2 4.19Å; V483-F487 HydrophobicContact CG1-CD2 4.02Å; V483-F487 HydrophobicContact CG1-CE1 4.13Å; V483-F487 HydrophobicContact CG1-CE2 3.56Å; V483-F487 HydrophobicContact CG1-CG 4.5Å; V483-F487 HydrophobicContact CG1-CZ 3.64Å; V483-F487 WeakPolarHBondContact O-CG 3.4Å; V483-F487 PolarHBondContact O-N 3.45Å; V484-F487 PolarHBondContact O-N 2.79Å; Q485-F487 PolarHBondContact O-N 2.84Å; F487-R490 PolarHBondContact O-N 3.36Å; F487-G491 PolarHBondContact O-N 3.14Å; F487-V492 HydrophobicContact CB-CG2 4.04Å; F487-V492 VanDerWaalsContact O-CG2 3.3Å; F487-V492 WeakPolarHBondContact O-CG2 3.49Å; F487-V492 PolarHBondContact O-N 3.36Å; F487-V492 VanDerWaalsContact O-N 3.15Å |
| 488 | L | 90.9 | Very high | 91.2 | Very high | 31 Ų | 31 | 47.8 Ų | 47.8 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -36.5 | 174 | -64.9 | -168.2 | 0 | 0 | 0 | 111.8 | L472 V484 Q485 R490 G491 I494 F520 L521 H524 | L472-L488 HydrophobicContact CD1-CD2 4.45Å; L472-L488 HydrophobicContact CD2-CD2 4.3Å; V484-L488 HydrophobicContact CG1-CG 4.48Å; V484-L488 WeakPolarHBondContact O-CG 3.46Å; V484-L488 PolarHBondContact O-N 3.2Å; Q485-L488 PolarHBondContact O-N 2.81Å; L488-R490 VanDerWaalsContact C-N 3.27Å; L488-R490 PolarHBondContact O-N 2.99Å; L488-G491 PolarHBondContact O-N 3.05Å; L488-I494 HydrophobicContact CD1-CD1 4Å; L488-I494 HydrophobicContact CD2-CB 4.28Å; L488-I494 HydrophobicContact CD2-CG1 4.35Å; L488-F520 HydrophobicContact CD1-CE1 3.86Å; L488-L521 HydrophobicContact CD1-CD2 4.44Å; L488-H524 HydrophobicContact CD1-CB 3.98Å |
| 489 | E | 89.4 | Confident | 90.9 | Very high | 164 Ų | 164 | 50.6 Ų | 50.6 | 77% | 0.766 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.4 | -32.2 | 172.6 | -75 | -173.7 | 179 | 0 | 0 | 112.9 | Q485 G491 | Q485-E489 WeakPolarHBondContact O-CB 3.15Å; Q485-E489 WeakPolarHBondContact O-CG 3.46Å; Q485-E489 PolarHBondContact O-N 3.41Å; E489-G491 VanDerWaalsContact C-N 3.28Å |
| 490 | R | 86.1 | Confident | 90.6 | Very high | 120 Ų | 120 | 51.9 Ų | 51.9 | 45% | 0.453 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 0.4 | 174.2 | -58.4 | -79.9 | 176.5 | 118.7 | 4.5 | 113 | L455 D456 L486 F487 L488 | L455-R490 HydrophobicContact CD1-CG 4.48Å; D456-R490 IonicContact OD1-NH1 2.72Å; L486-R490 HydrophobicContact CD1-CG 4.36Å; L486-R490 WeakPolarHBondContact O-CG 3.26Å; L486-R490 PolarHBondContact O-N 3.37Å; L486-R490 VanDerWaalsContact O-N 3.13Å; F487-R490 PolarHBondContact O-N 3.36Å; L488-R490 VanDerWaalsContact C-N 3.27Å; L488-R490 PolarHBondContact O-N 2.99Å |
| 491 | G | 83.7 | Confident | 90.3 | Very high | 59 Ų | 59 | 51.7 Ų | 51.7 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | 25.1 | 169 | 0 | 0 | 0 | 0 | 0 | 116.5 | F487 L488 E489 | F487-G491 PolarHBondContact O-N 3.14Å; L488-G491 PolarHBondContact O-N 3.05Å; E489-G491 VanDerWaalsContact C-N 3.28Å |
| 492 | V | 86.2 | Confident | 90.1 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 13% | 0.127 | 29% | 0.285 | C | S | . | . | trans | -67.9 | 140.6 | 175.3 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | F461 L472 F487 I494 | F461-V492 HydrophobicContact CB-CG2 3.81Å; F461-V492 HydrophobicContact CD2-CB 4.49Å; F461-V492 HydrophobicContact CD2-CG1 4.38Å; F461-V492 HydrophobicContact CD2-CG2 3.7Å; F461-V492 HydrophobicContact CG-CG2 3.91Å; L472-V492 HydrophobicContact CB-CG1 4.25Å; L472-V492 HydrophobicContact CD2-CB 4.37Å; L472-V492 HydrophobicContact CD2-CG1 3.69Å; F487-V492 HydrophobicContact CB-CG2 4.04Å; F487-V492 VanDerWaalsContact O-CG2 3.3Å; F487-V492 WeakPolarHBondContact O-CG2 3.49Å; F487-V492 PolarHBondContact O-N 3.36Å; F487-V492 VanDerWaalsContact O-N 3.15Å; V492-I494 PolarHBondContact O-N 3.14Å | ||
| 493 | A | 87.1 | Confident | 90 | Very high | 60 Ų | 60 | 46 Ų | 46 | 50% | 0.496 | 26% | 0.257 | S | S | . | . | trans | -70.5 | 123.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q496 | A493-Q496 HydrophobicContact CB-CB 4.26Š| ||
| 494 | I | 89.4 | Confident | 89.9 | Confident | 28 Ų | 28 | 46 Ų | 46 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -47.7 | -168.6 | -166.3 | 170.4 | 0 | 0 | 0 | 114 | L488 V492 Q496 L521 H524 A526 | L488-I494 HydrophobicContact CD1-CD1 4Å; L488-I494 HydrophobicContact CD2-CB 4.28Å; L488-I494 HydrophobicContact CD2-CG1 4.35Å; V492-I494 PolarHBondContact O-N 3.14Å; I494-Q496 VanDerWaalsContact C-N 3.3Å; I494-Q496 PolarHBondContact O-N 2.62Å; I494-L521 HydrophobicContact CD1-CB 4.39Å; I494-L521 HydrophobicContact CD1-CD2 3.84Å; I494-L521 WeakPolarHBondContact CD1-O 3.41Å; I494-L521 HydrophobicContact CG1-CD2 3.86Å; I494-H524 HydrophobicContact CD1-CB 3.74Å; I494-A526 HydrophobicContact CD1-CB 3.9Å; I494-A526 HydrophobicContact CG1-CB 4.06Å |
| 495 | D | 87.2 | Confident | 89.9 | Confident | 46 Ų | 46 | 46 Ų | 46 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 20 | 179.2 | -60.2 | -67.8 | 0 | 0 | 0 | 113.7 | P497 A526 D527 | D495-P497 WeakPolarHBondContact O-CD 3.36Å; D495-A526 VanDerWaalsContact OD1-CA 3.23Å; D495-A526 WeakPolarHBondContact OD1-CA 3.43Å; D495-D527 PolarHBondContact OD1-N 3.03Å |
| 496 | Q | 88.9 | Confident | 90 | Very high | 82 Ų | 82 | 43 Ų | 43 | 38% | 0.383 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -61.4 | 118.5 | 175.9 | 175.2 | 59.3 | 56.9 | 0 | 0 | 109.4 | M473 A493 I494 | M473-Q496 HydrophobicContact CE-CG 4.49Å; M473-Q496 WeakPolarHBondContact CE-O 3.5Å; A493-Q496 HydrophobicContact CB-CB 4.26Å; I494-Q496 VanDerWaalsContact C-N 3.3Å; I494-Q496 PolarHBondContact O-N 2.62Å |
| 497 | P | 91.5 | Very high | 90 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 20% | 0.195 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 166 | 174.9 | 34.9 | -37 | 0 | 0 | 0 | 111.6 | D495 N501 A503 | D495-P497 WeakPolarHBondContact O-CD 3.36Å; P497-N501 VanDerWaalsContact CB-OD1 3.25Å; P497-N501 WeakPolarHBondContact CB-OD1 3.26Å; P497-A503 CarbonylContact C-O 3.57Å; P497-A503 WeakPolarHBondContact CA-O 3.17Å |
| 498 | T | 90.7 | Very high | 90.1 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 165.5 | 165.6 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | G468 R469 M473 Q500 N501 D502 A503 | G468-T498 WeakPolarHBondContact O-CA 3.26Å; R469-T498 HydrophobicContact CG-CG2 4.23Å; M473-T498 HydrophobicContact CE-CG2 4.05Å; M473-T498 HydrophobicContact SD-CG2 3.72Å; T498-Q500 PolarHBondContact O-N 3.38Å; T498-Q500 VanDerWaalsContact O-N 3.09Å; T498-N501 PolarHBondContact O-N 3.04Å; T498-N501 PolarHBondContact OG1-N 3.16Å; T498-D502 VanDerWaalsContact CB-OD1 3.31Å; T498-D502 WeakPolarHBondContact CB-OD1 3.29Å; T498-D502 PolarHBondContact OG1-N 3.04Å; T498-D502 PolarHBondContact OG1-OD1 3.03Å; T498-A503 HydrophobicContact CG2-CB 3.88Å; T498-A503 PolarHBondContact N-O 3.05Å; T498-A503 PolarHBondContact OG1-N 2.91Å; T498-A503 PolarHBondContact OG1-O 3.13Å |
| 499 | S | 86.4 | Confident | 90.3 | Very high | 84 Ų | 84 | 41.2 Ų | 41.2 | 59% | 0.587 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23 | 174.7 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | G468 | G468-S499 WeakPolarHBondContact CA-OG 3.38Š|
| 500 | Q | 87.2 | Confident | 90.6 | Very high | 49 Ų | 49 | 33.4 Ų | 33.4 | 23% | 0.229 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -1.7 | 178.5 | -55.9 | -155.9 | 42 | 0 | 0 | 114.2 | T498 D502 R533 C1130 | T498-Q500 PolarHBondContact O-N 3.38Å; T498-Q500 VanDerWaalsContact O-N 3.09Å; Q500-D502 HydrophobicContact CB-CB 4.44Å; Q500-D502 PolarHBondContact O-N 3.41Å; Q500-R533 WeakPolarHBondContact O-CD 3.23Å; Q500-C1130 PolarHBondContact NE2-SG 3.48Å |
| 501 | N | 91 | Very high | 91 | Very high | 42 Ų | 42 | 28.3 Ų | 28.3 | 23% | 0.225 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 53.2 | 34.6 | -168.8 | -163.2 | 59.4 | 0 | 0 | 0 | 113.7 | P497 T498 Y530 Q531 L532 R533 | P497-N501 VanDerWaalsContact CB-OD1 3.25Å; P497-N501 WeakPolarHBondContact CB-OD1 3.26Å; T498-N501 PolarHBondContact O-N 3.04Å; T498-N501 PolarHBondContact OG1-N 3.16Å; N501-Y530 WeakPolarHBondContact OD1-CE1 3.42Å; N501-Y530 PolarHBondContact OD1-OH 3.04Å; N501-Y530 VanDerWaalsContact OD1-OH 3.06Å; N501-Q531 PolarHBondContact ND2-O 3.49Å; N501-L532 WeakPolarHBondContact O-CA 3.44Å; N501-R533 HydrophobicContact CB-CB 4.28Å; N501-R533 PolarHBondContact ND2-N 3.4Å; N501-R533 WeakPolarHBondContact O-CB 3.42Å; N501-R533 PolarHBondContact O-N 2.97Å |
| 502 | D | 89.7 | Confident | 91.3 | Very high | 58 Ų | 58 | 27.2 Ų | 27.2 | 31% | 0.31 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -97.2 | -7.8 | 175.5 | 65 | -20.3 | 0 | 0 | 0 | 113.2 | T498 Q500 | T498-D502 VanDerWaalsContact CB-OD1 3.31Å; T498-D502 WeakPolarHBondContact CB-OD1 3.29Å; T498-D502 PolarHBondContact OG1-N 3.04Å; T498-D502 PolarHBondContact OG1-OD1 3.03Å; Q500-D502 HydrophobicContact CB-CB 4.44Å; Q500-D502 PolarHBondContact O-N 3.41Å |
| 503 | A | 92.4 | Very high | 91.6 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | trans | -156.9 | 161.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113 | P497 T498 S507 L508 | P497-A503 CarbonylContact C-O 3.57Å; P497-A503 WeakPolarHBondContact CA-O 3.17Å; T498-A503 HydrophobicContact CG2-CB 3.88Å; T498-A503 PolarHBondContact N-O 3.05Å; T498-A503 PolarHBondContact OG1-N 2.91Å; T498-A503 PolarHBondContact OG1-O 3.13Å; A503-S507 WeakPolarHBondContact CA-OG 3.24Å; A503-L508 HydrophobicContact CB-CD1 4.06Å; A503-L508 HydrophobicContact CB-CD2 4.11Å; A503-L508 HydrophobicContact CB-CG 3.98Å | ||
| 504 | N | 94 | Very high | 92 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -140.1 | -178.4 | 160.5 | 73.1 | 20.9 | 0 | 0 | 0 | 109.6 | L506 S507 L508 Y530 | N504-L506 VanDerWaalsContact C-N 3.35Å; N504-L506 PolarHBondContact O-N 3.3Å; N504-L506 PolarHBondContact OD1-N 3.08Å; N504-S507 PolarHBondContact N-OG 2.86Å; N504-S507 PolarHBondContact O-N 3.13Å; N504-S507 PolarHBondContact O-OG 3.27Å; N504-S507 VanDerWaalsContact O-OG 3.1Å; N504-S507 PolarHBondContact OD1-N 2.88Å; N504-L508 WeakPolarHBondContact O-CG 3.26Å; N504-L508 PolarHBondContact O-N 3.12Å; N504-Y530 WeakPolarHBondContact ND2-CD1 3.05Å | ||
| 505 | A | 94.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -37.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | L472 A476 A509 L521 | L472-A505 HydrophobicContact CD2-CB 4.32Å; L472-A505 HydrophobicContact CG-CB 4.33Å; A476-A505 HydrophobicContact CB-CB 4.18Å; A505-A509 WeakPolarHBondContact O-CB 3.2Å; A505-A509 PolarHBondContact O-N 3.43Å; A505-A509 VanDerWaalsContact O-N 3.11Å; A505-L521 HydrophobicContact CB-CD1 4.47Å |
| 506 | L | 95.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.7 | -39.8 | 178.5 | -177.4 | 62.1 | 0 | 0 | 0 | 111.8 | N504 L508 A509 C510 V518 L521 L522 A526 D527 M538 | N504-L506 VanDerWaalsContact C-N 3.35Å; N504-L506 PolarHBondContact O-N 3.3Å; N504-L506 PolarHBondContact OD1-N 3.08Å; L506-L508 VanDerWaalsContact C-N 3.33Å; L506-L508 PolarHBondContact O-N 3.37Å; L506-A509 PolarHBondContact O-N 3.4Å; L506-C510 WeakPolarHBondContact O-CB 3.33Å; L506-C510 PolarHBondContact O-N 3.49Å; L506-C510 PolarHBondContact O-SG 2.77Å; L506-V518 HydrophobicContact CD1-CG1 4.11Å; L506-L521 HydrophobicContact CD1-CB 4.24Å; L506-L521 HydrophobicContact CD1-CD1 4.41Å; L506-L522 HydrophobicContact CD1-CD2 4.32Å; L506-L522 HydrophobicContact CD1-CG 4.27Å; L506-L522 HydrophobicContact CD2-CD2 3.96Å; L506-A526 HydrophobicContact CB-CB 4.27Å; L506-A526 HydrophobicContact CD2-CB 3.99Å; L506-D527 WeakPolarHBondContact CD2-O 3.23Å; L506-M538 HydrophobicContact CB-SD 4.23Å; L506-M538 HydrophobicContact CD2-CG 3.94Å; L506-M538 HydrophobicContact CD2-SD 4.18Å; L506-M538 HydrophobicContact CG-CG 4.3Å; L506-M538 HydrophobicContact CG-SD 4.01Å |
| 507 | S | 95.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 179.7 | 84.4 | 0 | 0 | 0 | 0 | 111.3 | A503 N504 C510 S511 | A503-S507 WeakPolarHBondContact CA-OG 3.24Å; N504-S507 PolarHBondContact N-OG 2.86Å; N504-S507 PolarHBondContact O-N 3.13Å; N504-S507 PolarHBondContact O-OG 3.27Å; N504-S507 VanDerWaalsContact O-OG 3.1Å; N504-S507 PolarHBondContact OD1-N 2.88Å; S507-C510 PolarHBondContact O-N 3.04Å; S507-S511 WeakPolarHBondContact O-CB 3.45Å; S507-S511 PolarHBondContact O-N 2.93Å |
| 508 | L | 94.4 | Very high | 93 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.4 | -38 | 178.3 | -66.2 | 169.2 | 0 | 0 | 0 | 112.5 | M473 R477 A503 N504 L506 C510 G512 | M473-L508 HydrophobicContact CB-CD1 3.66Å; M473-L508 HydrophobicContact CG-CD1 4.25Å; M473-L508 WeakPolarHBondContact O-CD1 3.36Å; R477-L508 HydrophobicContact CB-CB 3.97Å; R477-L508 HydrophobicContact CB-CD1 4.42Å; R477-L508 HydrophobicContact CG-CD2 4.38Å; A503-L508 HydrophobicContact CB-CD1 4.06Å; A503-L508 HydrophobicContact CB-CD2 4.11Å; A503-L508 HydrophobicContact CB-CG 3.98Å; N504-L508 WeakPolarHBondContact O-CG 3.26Å; N504-L508 PolarHBondContact O-N 3.12Å; L506-L508 VanDerWaalsContact C-N 3.33Å; L506-L508 PolarHBondContact O-N 3.37Å; L508-C510 VanDerWaalsContact C-N 3.35Å; L508-G512 PolarHBondContact O-N 3.17Å |
| 509 | A | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -36.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A505 L506 G513 H514 M517 V518 L521 | A505-A509 WeakPolarHBondContact O-CB 3.2Å; A505-A509 PolarHBondContact O-N 3.43Å; A505-A509 VanDerWaalsContact O-N 3.11Å; L506-A509 PolarHBondContact O-N 3.4Å; A509-G513 PolarHBondContact O-N 2.85Å; A509-H514 PolarHBondContact O-N 3.2Å; A509-M517 HydrophobicContact CB-CB 4.18Å; A509-M517 HydrophobicContact CB-CG 3.7Å; A509-V518 HydrophobicContact CB-CG2 3.81Å; A509-L521 HydrophobicContact CB-CD1 3.81Å |
| 510 | C | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.2 | -50.9 | 174.5 | -76.4 | 0 | 0 | 0 | 0 | 111.6 | L506 S507 L508 G512 G513 E541 A542 S545 V550 | L506-C510 WeakPolarHBondContact O-CB 3.33Å; L506-C510 PolarHBondContact O-N 3.49Å; L506-C510 PolarHBondContact O-SG 2.77Å; S507-C510 PolarHBondContact O-N 3.04Å; L508-C510 VanDerWaalsContact C-N 3.35Å; C510-G512 PolarHBondContact O-N 3.3Å; C510-G513 PolarHBondContact O-N 3.06Å; C510-G513 VanDerWaalsContact O-N 3.07Å; C510-E541 HydrophobicContact CB-CB 3.71Å; C510-A542 HydrophobicContact CB-CB 4.48Å; C510-S545 WeakPolarHBondContact O-CB 3.4Å; C510-S545 PolarHBondContact O-OG 3.5Å; C510-V550 HydrophobicContact CB-CG1 4.19Å |
| 511 | S | 92.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.6 | -37.9 | 180 | -170.2 | 0 | 0 | 0 | 0 | 112.3 | S507 G513 S545 | S507-S511 WeakPolarHBondContact O-CB 3.45Å; S507-S511 PolarHBondContact O-N 2.93Å; S511-G513 PolarHBondContact O-N 3.46Å; S511-S545 WeakPolarHBondContact O-CA 3.26Å; S511-S545 VanDerWaalsContact O-CB 3.22Å; S511-S545 WeakPolarHBondContact O-CB 3.31Å |
| 512 | G | 90.3 | Very high | 93.9 | Very high | 37 Ų | 37 | 23 Ų | 23 | 38% | 0.381 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -3.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L508 C510 H514 | L508-G512 PolarHBondContact O-N 3.17Å; C510-G512 PolarHBondContact O-N 3.3Å; G512-H514 VanDerWaalsContact C-N 3.31Å; G512-H514 PolarHBondContact O-N 3.44Å |
| 513 | G | 92.9 | Very high | 94 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 13% | 0.134 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 14 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | A509 C510 S511 A515 N547 V550 | A509-G513 PolarHBondContact O-N 2.85Å; C510-G513 PolarHBondContact O-N 3.06Å; C510-G513 VanDerWaalsContact O-N 3.07Å; S511-G513 PolarHBondContact O-N 3.46Å; G513-A515 PolarHBondContact O-N 3.33Å; G513-N547 PolarHBondContact O-ND2 3.39Å; G513-V550 WeakPolarHBondContact O-CG2 3.32Å |
| 514 | H | 94.6 | Very high | 93.9 | Very high | 48 Ų | 48 | 29.9 Ų | 29.9 | 22% | 0.222 | 16% | 0.157 | C | C | . | . | trans | -80.9 | 72 | -168.7 | -64.5 | -59.4 | 0 | 0 | 0 | 112.9 | A476 R477 T478 A509 G512 K516 M517 V518 | A476-H514 PolarHBondContact O-CD2 3Å; R477-H514 PolarHBondContact O-CD2 3.24Å; R477-H514 PolarHBondContact O-NE2 3.15Å; T478-H514 PolarHBondContact O-CE1 3.48Å; T478-H514 VanDerWaalsContact O-CE1 3.26Å; T478-H514 PolarHBondContact O-NE2 3.14Å; A509-H514 PolarHBondContact O-N 3.2Å; G512-H514 VanDerWaalsContact C-N 3.31Å; G512-H514 PolarHBondContact O-N 3.44Å; H514-K516 VanDerWaalsContact C-N 3.3Å; H514-K516 PolarHBondContact O-N 3.04Å; H514-K516 VanDerWaalsContact O-N 3.09Å; H514-M517 HydrophobicContact CB-CB 3.64Å; H514-M517 WeakPolarHBondContact O-CA 3.48Å; H514-M517 VanDerWaalsContact O-CB 3.29Å; H514-M517 WeakPolarHBondContact O-CB 3.46Å; H514-M517 PolarHBondContact O-N 3.33Å; H514-V518 PolarHBondContact O-N 3.07Å | ||
| 515 | A | 94.1 | Very high | 93.7 | Very high | 25 Ų | 25 | 32.2 Ų | 32.2 | 21% | 0.207 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -49.3 | -41.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G513 V518 E519 A549 V550 L553 | G513-A515 PolarHBondContact O-N 3.33Å; A515-V518 PolarHBondContact O-N 3.07Å; A515-E519 WeakPolarHBondContact O-CB 3.46Å; A515-E519 PolarHBondContact O-N 2.91Å; A515-A549 HydrophobicContact CB-CB 4.03Å; A515-V550 HydrophobicContact CB-CG2 3.95Å; A515-L553 HydrophobicContact CB-CD1 4.16Å; A515-L553 VanDerWaalsContact O-CD1 3.24Å; A515-L553 WeakPolarHBondContact O-CD1 3.33Å |
| 516 | K | 94.1 | Very high | 93.6 | Very high | 161 Ų | 161 | 32.2 Ų | 32.2 | 70% | 0.7 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -68.7 | -34.5 | 175.9 | -66.6 | -177.8 | -178.4 | 174 | 0 | 113.2 | H514 F520 | H514-K516 VanDerWaalsContact C-N 3.3Å; H514-K516 PolarHBondContact O-N 3.04Å; H514-K516 VanDerWaalsContact O-N 3.09Å; K516-F520 VanDerWaalsContact O-CB 3.25Å; K516-F520 WeakPolarHBondContact O-CB 3.23Å; K516-F520 PolarHBondContact O-N 3.01Å |
| 517 | M | 94.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.7 | -45.7 | 175 | -172.5 | 70.3 | 77.9 | 0 | 0 | 110.4 | G479 L481 V484 A509 H514 F520 L521 | G479-M517 WeakPolarHBondContact O-CE 3.44Å; L481-M517 HydrophobicContact CB-CE 4.21Å; L481-M517 HydrophobicContact CD1-CE 4.47Å; L481-M517 HydrophobicContact CD1-SD 3.9Å; V484-M517 HydrophobicContact CB-CE 4.03Å; V484-M517 HydrophobicContact CB-SD 3.72Å; V484-M517 HydrophobicContact CG1-SD 3.69Å; V484-M517 HydrophobicContact CG2-CE 3.56Å; V484-M517 HydrophobicContact CG2-SD 3.64Å; A509-M517 HydrophobicContact CB-CB 4.18Å; A509-M517 HydrophobicContact CB-CG 3.7Å; H514-M517 HydrophobicContact CB-CB 3.64Å; H514-M517 WeakPolarHBondContact O-CA 3.48Å; H514-M517 VanDerWaalsContact O-CB 3.29Å; H514-M517 WeakPolarHBondContact O-CB 3.46Å; H514-M517 PolarHBondContact O-N 3.33Å; M517-F520 PolarHBondContact O-N 3.29Å; M517-L521 HydrophobicContact CG-CD1 3.96Å; M517-L521 HydrophobicContact CG-CG 4.38Å; M517-L521 WeakPolarHBondContact O-CB 3.19Å; M517-L521 VanDerWaalsContact O-CG 3.28Å; M517-L521 WeakPolarHBondContact O-CG 3.36Å; M517-L521 PolarHBondContact O-N 2.83Å |
| 518 | V | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | L506 A509 H514 A515 F520 L521 L522 V550 L553 I554 | L506-V518 HydrophobicContact CD1-CG1 4.11Å; A509-V518 HydrophobicContact CB-CG2 3.81Å; H514-V518 PolarHBondContact O-N 3.07Å; A515-V518 PolarHBondContact O-N 3.07Å; V518-F520 PolarHBondContact O-N 3.06Å; V518-L521 PolarHBondContact O-N 2.99Å; V518-L522 HydrophobicContact CG1-CD1 3.8Å; V518-L522 HydrophobicContact CG1-CG 4.45Å; V518-L522 WeakPolarHBondContact O-CB 3.28Å; V518-L522 WeakPolarHBondContact O-CD1 3.43Å; V518-L522 WeakPolarHBondContact O-CG 3.26Å; V518-L522 PolarHBondContact O-N 3.19Å; V518-V550 HydrophobicContact CG1-CG1 4.47Å; V518-V550 HydrophobicContact CG2-CG1 4.18Å; V518-V550 HydrophobicContact CG2-CG2 4.5Å; V518-L553 HydrophobicContact CB-CD1 4.44Å; V518-L553 HydrophobicContact CG1-CB 4.29Å; V518-L553 HydrophobicContact CG1-CD1 4.3Å; V518-I554 HydrophobicContact CG1-CD1 4.33Å |
| 519 | E | 94.3 | Very high | 92.9 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.2 | -48 | 173.3 | 177.5 | 174.8 | -156 | 0 | 0 | 111.8 | A515 L522 Q523 L553 L561 | A515-E519 WeakPolarHBondContact O-CB 3.46Å; A515-E519 PolarHBondContact O-N 2.91Å; E519-L522 PolarHBondContact O-N 2.86Å; E519-Q523 HydrophobicContact CG-CG 4.5Å; E519-Q523 VanDerWaalsContact CG-NE2 3.32Å; E519-Q523 WeakPolarHBondContact O-CB 3.32Å; E519-Q523 VanDerWaalsContact O-CG 3.26Å; E519-Q523 WeakPolarHBondContact O-CG 3.43Å; E519-Q523 PolarHBondContact O-N 3.31Å; E519-Q523 PolarHBondContact OE1-NE2 3.37Å; E519-L553 HydrophobicContact CB-CD1 4.1Å; E519-L553 HydrophobicContact CB-CD2 4.23Å; E519-L561 HydrophobicContact CG-CD2 4.46Å |
| 520 | F | 93.9 | Very high | 92.7 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | -179.5 | -177.9 | -100.6 | 0 | 0 | 0 | 112.9 | L481 V484 Q485 L488 K516 M517 V518 Q523 H524 | L481-F520 HydrophobicContact CD1-CB 3.77Å; L481-F520 HydrophobicContact CD1-CD1 3.69Å; L481-F520 HydrophobicContact CD1-CD2 4.29Å; L481-F520 HydrophobicContact CD1-CE1 4.37Å; L481-F520 HydrophobicContact CD1-CG 3.65Å; V484-F520 HydrophobicContact CG1-CD1 4.33Å; V484-F520 HydrophobicContact CG1-CE1 4.25Å; Q485-F520 HydrophobicContact CB-CZ 4.36Å; Q485-F520 HydrophobicContact CG-CE1 3.75Å; Q485-F520 HydrophobicContact CG-CE2 3.81Å; Q485-F520 HydrophobicContact CG-CZ 3.33Å; L488-F520 HydrophobicContact CD1-CE1 3.86Å; K516-F520 VanDerWaalsContact O-CB 3.25Å; K516-F520 WeakPolarHBondContact O-CB 3.23Å; K516-F520 PolarHBondContact O-N 3.01Å; M517-F520 PolarHBondContact O-N 3.29Å; V518-F520 PolarHBondContact O-N 3.06Å; F520-Q523 PolarHBondContact O-N 3.17Å; F520-H524 AromaticContact CD2-CE1 3.69Å; F520-H524 AromaticContact CD2-ND1 3.83Å; F520-H524 AromaticContact CE1-ND1 3.95Å; F520-H524 AromaticContact CE2-CE1 3.17Å; F520-H524 WeakPolarHBondContact CE2-CE1 3.4Å; F520-H524 AromaticContact CE2-ND1 3.65Å; F520-H524 AromaticContact CZ-CE1 3.4Å; F520-H524 VanDerWaalsContact CZ-CE1 3.4Å; F520-H524 WeakPolarHBondContact CZ-CE1 3.44Å; F520-H524 AromaticContact CZ-ND1 3.68Å; F520-H524 AromaticContact CZ-NE2 3.96Å; F520-H524 PolarHBondContact O-N 3.41Å; F520-H524 VanDerWaalsContact O-N 3.09Å; F520-H524 PolarHBondContact O-ND1 3.27Å |
| 521 | L | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 176.9 | -70.6 | 170.9 | 0 | 0 | 0 | 111.5 | V484 L488 I494 A505 L506 A509 M517 V518 Q523 H524 G525 A526 | V484-L521 HydrophobicContact CG1-CD2 4.14Å; L488-L521 HydrophobicContact CD1-CD2 4.44Å; I494-L521 HydrophobicContact CD1-CB 4.39Å; I494-L521 HydrophobicContact CD1-CD2 3.84Å; I494-L521 WeakPolarHBondContact CD1-O 3.41Å; I494-L521 HydrophobicContact CG1-CD2 3.86Å; A505-L521 HydrophobicContact CB-CD1 4.47Å; L506-L521 HydrophobicContact CD1-CB 4.24Å; L506-L521 HydrophobicContact CD1-CD1 4.41Å; A509-L521 HydrophobicContact CB-CD1 3.81Å; M517-L521 HydrophobicContact CG-CD1 3.96Å; M517-L521 HydrophobicContact CG-CG 4.38Å; M517-L521 WeakPolarHBondContact O-CB 3.19Å; M517-L521 VanDerWaalsContact O-CG 3.28Å; M517-L521 WeakPolarHBondContact O-CG 3.36Å; M517-L521 PolarHBondContact O-N 2.83Å; V518-L521 PolarHBondContact O-N 2.99Å; L521-Q523 PolarHBondContact O-N 3.16Å; L521-H524 CarbonylContact O-C 3.56Å; L521-H524 PolarHBondContact O-N 3.37Å; L521-H524 VanDerWaalsContact O-N 3.13Å; L521-G525 PolarHBondContact O-N 3.48Å; L521-G525 VanDerWaalsContact O-N 3.13Å; L521-A526 HydrophobicContact CB-CB 4.13Å; L521-A526 WeakPolarHBondContact O-CB 3.32Å; L521-A526 PolarHBondContact O-N 2.91Å; L521-A526 VanDerWaalsContact O-N 3.08Å |
| 522 | L | 93.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65 | -37.2 | 175.1 | -67.9 | 170.1 | 0 | 0 | 0 | 112 | L506 V518 E519 H524 G525 P528 I554 Y557 L561 | L506-L522 HydrophobicContact CD1-CD2 4.32Å; L506-L522 HydrophobicContact CD1-CG 4.27Å; L506-L522 HydrophobicContact CD2-CD2 3.96Å; V518-L522 HydrophobicContact CG1-CD1 3.8Å; V518-L522 HydrophobicContact CG1-CG 4.45Å; V518-L522 WeakPolarHBondContact O-CB 3.28Å; V518-L522 WeakPolarHBondContact O-CD1 3.43Å; V518-L522 WeakPolarHBondContact O-CG 3.26Å; V518-L522 PolarHBondContact O-N 3.19Å; E519-L522 PolarHBondContact O-N 2.86Å; L522-H524 VanDerWaalsContact C-N 3.25Å; L522-H524 PolarHBondContact O-N 3.41Å; L522-G525 PolarHBondContact O-N 2.93Å; L522-P528 HydrophobicContact CD2-CB 3.88Å; L522-P528 HydrophobicContact CD2-CG 4.09Å; L522-I554 HydrophobicContact CD1-CD1 4.25Å; L522-Y557 HydrophobicContact CB-CD2 4.46Å; L522-Y557 HydrophobicContact CB-CE2 4.2Å; L522-Y557 HydrophobicContact CD1-CD2 4.33Å; L522-Y557 HydrophobicContact CD2-CD2 4.2Å; L522-Y557 HydrophobicContact CD2-CE2 4.15Å; L522-L561 HydrophobicContact CB-CD1 4.32Å |
| 523 | Q | 91.6 | Very high | 92.6 | Very high | 104 Ų | 104 | 53.2 Ų | 53.2 | 49% | 0.486 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64 | -29.2 | 172.5 | -74.5 | 175.4 | 13.3 | 0 | 0 | 112.9 | E519 F520 L521 L561 | E519-Q523 HydrophobicContact CG-CG 4.5Å; E519-Q523 VanDerWaalsContact CG-NE2 3.32Å; E519-Q523 WeakPolarHBondContact O-CB 3.32Å; E519-Q523 VanDerWaalsContact O-CG 3.26Å; E519-Q523 WeakPolarHBondContact O-CG 3.43Å; E519-Q523 PolarHBondContact O-N 3.31Å; E519-Q523 PolarHBondContact OE1-NE2 3.37Å; F520-Q523 PolarHBondContact O-N 3.17Å; L521-Q523 PolarHBondContact O-N 3.16Å; Q523-L561 HydrophobicContact CG-CD1 4.29Å; Q523-L561 HydrophobicContact CG-CD2 3.75Å |
| 524 | H | 90.8 | Very high | 92.5 | Very high | 102 Ų | 102 | 55 Ų | 55 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 5.8 | 177 | -69.8 | 77.4 | 0 | 0 | 0 | 113.8 | L488 I494 F520 L521 L522 | L488-H524 HydrophobicContact CD1-CB 3.98Å; I494-H524 HydrophobicContact CD1-CB 3.74Å; F520-H524 AromaticContact CD2-CE1 3.69Å; F520-H524 AromaticContact CD2-ND1 3.83Å; F520-H524 AromaticContact CE1-ND1 3.95Å; F520-H524 AromaticContact CE2-CE1 3.17Å; F520-H524 WeakPolarHBondContact CE2-CE1 3.4Å; F520-H524 AromaticContact CE2-ND1 3.65Å; F520-H524 AromaticContact CZ-CE1 3.4Å; F520-H524 VanDerWaalsContact CZ-CE1 3.4Å; F520-H524 WeakPolarHBondContact CZ-CE1 3.44Å; F520-H524 AromaticContact CZ-ND1 3.68Å; F520-H524 AromaticContact CZ-NE2 3.96Å; F520-H524 PolarHBondContact O-N 3.41Å; F520-H524 VanDerWaalsContact O-N 3.09Å; F520-H524 PolarHBondContact O-ND1 3.27Å; L521-H524 CarbonylContact O-C 3.56Å; L521-H524 PolarHBondContact O-N 3.37Å; L521-H524 VanDerWaalsContact O-N 3.13Å; L522-H524 VanDerWaalsContact C-N 3.25Å; L522-H524 PolarHBondContact O-N 3.41Å |
| 525 | G | 89.4 | Confident | 92.3 | Very high | 48 Ų | 48 | 53.4 Ų | 53.4 | 50% | 0.495 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | 12.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | L521 L522 | L521-G525 PolarHBondContact O-N 3.48Å; L521-G525 VanDerWaalsContact O-N 3.13Å; L522-G525 PolarHBondContact O-N 2.93Å |
| 526 | A | 92.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | trans | -59.8 | 144.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | I494 D495 L506 L521 P528 | I494-A526 HydrophobicContact CD1-CB 3.9Å; I494-A526 HydrophobicContact CG1-CB 4.06Å; D495-A526 VanDerWaalsContact OD1-CA 3.23Å; D495-A526 WeakPolarHBondContact OD1-CA 3.43Å; L506-A526 HydrophobicContact CB-CB 4.27Å; L506-A526 HydrophobicContact CD2-CB 3.99Å; L521-A526 HydrophobicContact CB-CB 4.13Å; L521-A526 WeakPolarHBondContact O-CB 3.32Å; L521-A526 PolarHBondContact O-N 2.91Å; L521-A526 VanDerWaalsContact O-N 3.08Å; A526-P528 VanDerWaalsContact O-CD 3.24Å; A526-P528 WeakPolarHBondContact O-CD 3.45Å | ||
| 527 | D | 90.5 | Very high | 92.2 | Very high | 58 Ų | 58 | 45.1 Ų | 45.1 | 31% | 0.31 | 22% | 0.223 | S | C | . | . | trans | -87 | 110.9 | -173.4 | -175.9 | 13.6 | 0 | 0 | 0 | 113.5 | D495 L506 Q529 Y530 | D495-D527 PolarHBondContact OD1-N 3.03Å; L506-D527 WeakPolarHBondContact CD2-O 3.23Å; D527-Q529 PolarHBondContact O-N 2.76Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.4Å; D527-Q529 PolarHBondContact OD1-N 2.51Å; D527-Y530 WeakPolarHBondContact O-CB 3.43Å; D527-Y530 PolarHBondContact O-N 3.1Å | ||
| 528 | P | 91.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -9.7 | 176 | 29.8 | -34.7 | 0 | 0 | 0 | 114.1 | L522 A526 I554 Y557 | L522-P528 HydrophobicContact CD2-CB 3.88Å; L522-P528 HydrophobicContact CD2-CG 4.09Å; A526-P528 VanDerWaalsContact O-CD 3.24Å; A526-P528 WeakPolarHBondContact O-CD 3.45Å; P528-I554 HydrophobicContact CB-CD1 4.12Å; P528-Y557 HydrophobicContact CG-CD1 3.5Å; P528-Y557 HydrophobicContact CG-CD2 4.26Å; P528-Y557 HydrophobicContact CG-CE1 3.66Å; P528-Y557 HydrophobicContact CG-CE2 4.41Å; P528-Y557 HydrophobicContact CG-CG 3.82Å |
| 529 | Q | 89.4 | Confident | 92.1 | Very high | 93 Ų | 93 | 45 Ų | 45 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 2.5 | 174.8 | -64.9 | 166.2 | 111.9 | 0 | 0 | 112.9 | D527 Q531 | D527-Q529 PolarHBondContact O-N 2.76Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.4Å; D527-Q529 PolarHBondContact OD1-N 2.51Å; Q529-Q531 PolarHBondContact O-N 3.04Å |
| 530 | Y | 91 | Very high | 92.1 | Very high | 52 Ų | 52 | 41.4 Ų | 41.4 | 20% | 0.204 | 21% | 0.206 | C | C | . | . | trans | -55.8 | 137.8 | -179.2 | -156.4 | -83.1 | 0 | 0 | 0 | 111.7 | N501 N504 D527 L532 | N501-Y530 WeakPolarHBondContact OD1-CE1 3.42Å; N501-Y530 PolarHBondContact OD1-OH 3.04Å; N501-Y530 VanDerWaalsContact OD1-OH 3.06Å; N504-Y530 WeakPolarHBondContact ND2-CD1 3.05Å; D527-Y530 WeakPolarHBondContact O-CB 3.43Å; D527-Y530 PolarHBondContact O-N 3.1Å; Y530-L532 HydrophobicContact CD1-CD2 4.22Å; Y530-L532 HydrophobicContact CE1-CD2 4.29Å | ||
| 531 | Q | 91.2 | Very high | 92.2 | Very high | 125 Ų | 125 | 40.5 Ų | 40.5 | 58% | 0.584 | 20% | 0.202 | S | C | * | . | B | Isolated β-bridge | trans | -114.9 | 125.3 | 178.4 | -74.7 | -178.8 | -26.3 | 0 | 0 | 110.5 | N501 Q529 T537 | N501-Q531 PolarHBondContact ND2-O 3.49Å; Q529-Q531 PolarHBondContact O-N 3.04Å; Q531-T537 HydrophobicContact CG-CG2 4.11Å |
| 532 | L | 93.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | trans | -77.8 | 167.4 | 172.2 | -57.3 | 179.4 | 0 | 0 | 0 | 110.6 | N501 Y530 D534 G535 S536 M538 E541 | N501-L532 WeakPolarHBondContact O-CA 3.44Å; Y530-L532 HydrophobicContact CD1-CD2 4.22Å; Y530-L532 HydrophobicContact CE1-CD2 4.29Å; L532-D534 PolarHBondContact O-N 2.9Å; L532-D534 VanDerWaalsContact O-N 3.07Å; L532-G535 PolarHBondContact O-N 2.91Å; L532-S536 PolarHBondContact N-O 3.43Å; L532-M538 HydrophobicContact CD1-CE 4.39Å; L532-M538 HydrophobicContact CD2-CE 4.37Å; L532-M538 HydrophobicContact CG-CE 4.09Å; L532-E541 HydrophobicContact CD1-CG 4.49Å; L532-E541 WeakPolarHBondContact CD1-OE1 3.29Å | ||
| 533 | R | 92.1 | Very high | 92.3 | Very high | 161 Ų | 161 | 40.4 Ų | 40.4 | 61% | 0.608 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.4 | -172.7 | 174.1 | 174.1 | 164.8 | -152.3 | -3.1 | 115.2 | Q500 N501 | Q500-R533 WeakPolarHBondContact O-CD 3.23Å; N501-R533 HydrophobicContact CB-CB 4.28Å; N501-R533 PolarHBondContact ND2-N 3.4Å; N501-R533 WeakPolarHBondContact O-CB 3.42Å; N501-R533 PolarHBondContact O-N 2.97Å |
| 534 | D | 90.1 | Very high | 92.4 | Very high | 50 Ų | 50 | 39.2 Ų | 39.2 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 2.7 | 178.9 | 71.4 | -31 | 0 | 0 | 0 | 113.5 | L532 S536 I1284 E1285 | L532-D534 PolarHBondContact O-N 2.9Å; L532-D534 VanDerWaalsContact O-N 3.07Å; D534-S536 VanDerWaalsContact CG-OG 3.27Å; D534-S536 WeakPolarHBondContact OD1-CB 3.34Å; D534-S536 PolarHBondContact OD1-N 3.31Å; D534-S536 PolarHBondContact OD1-OG 2.83Å; D534-S536 PolarHBondContact OD2-OG 3.41Å; D534-I1284 HydrophobicContact CB-CG2 4.19Å; D534-I1284 CarbonylContact O-C 3.48Å; D534-I1284 WeakPolarHBondContact OD2-CG2 3.08Å; D534-E1285 PolarHBondContact O-N 3.01Å |
| 535 | G | 90.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 35.8 Ų | 35.8 | 14% | 0.144 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 86.8 | -1.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L532 T537 | L532-G535 PolarHBondContact O-N 2.91Å; G535-T537 PolarHBondContact O-N 3.17Å |
| 536 | S | 92.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -60.4 | 121.4 | 175.1 | -71.8 | 0 | 0 | 0 | 0 | 110.5 | L532 D534 E541 R544 | L532-S536 PolarHBondContact N-O 3.43Å; D534-S536 VanDerWaalsContact CG-OG 3.27Å; D534-S536 WeakPolarHBondContact OD1-CB 3.34Å; D534-S536 PolarHBondContact OD1-N 3.31Å; D534-S536 PolarHBondContact OD1-OG 2.83Å; D534-S536 PolarHBondContact OD2-OG 3.41Å; S536-E541 WeakPolarHBondContact CB-OE1 3.46Å; S536-R544 PolarHBondContact OG-NH2 2.8Å | ||
| 537 | T | 93.9 | Very high | 92.5 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -91.6 | 163.5 | 173 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | Q531 G535 L539 I540 E541 A1282 | Q531-T537 HydrophobicContact CG-CG2 4.11Å; G535-T537 PolarHBondContact O-N 3.17Å; T537-L539 PolarHBondContact O-N 2.94Å; T537-L539 PolarHBondContact OG1-N 3.05Å; T537-I540 WeakPolarHBondContact O-CA 3.41Å; T537-I540 WeakPolarHBondContact O-CB 3.21Å; T537-I540 PolarHBondContact O-N 3.47Å; T537-I540 PolarHBondContact OG1-N 2.81Å; T537-E541 PolarHBondContact O-N 3.03Å; T537-A1282 HydrophobicContact CG2-CB 3.86Å |
| 538 | M | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -19.1 | 174.4 | -54.7 | -60.2 | 93.2 | 0 | 0 | 113.2 | L506 L532 E541 A542 I554 | L506-M538 HydrophobicContact CB-SD 4.23Å; L506-M538 HydrophobicContact CD2-CG 3.94Å; L506-M538 HydrophobicContact CD2-SD 4.18Å; L506-M538 HydrophobicContact CG-CG 4.3Å; L506-M538 HydrophobicContact CG-SD 4.01Å; L532-M538 HydrophobicContact CD1-CE 4.39Å; L532-M538 HydrophobicContact CD2-CE 4.37Å; L532-M538 HydrophobicContact CG-CE 4.09Å; M538-E541 HydrophobicContact CE-CG 4Å; M538-A542 VanDerWaalsContact O-CB 3.26Å; M538-A542 WeakPolarHBondContact O-CB 3.07Å; M538-A542 PolarHBondContact O-N 3.17Å; M538-I554 HydrophobicContact CB-CD1 4.12Å |
| 539 | L | 94.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.3 | -38.2 | 170.7 | -174.7 | 69.4 | 0 | 0 | 0 | 112.5 | T537 A543 L551 I554 L555 I1278 A1291 | T537-L539 PolarHBondContact O-N 2.94Å; T537-L539 PolarHBondContact OG1-N 3.05Å; L539-A543 WeakPolarHBondContact O-CB 3.38Å; L539-A543 PolarHBondContact O-N 3.3Å; L539-L551 HydrophobicContact CD1-CD1 3.57Å; L539-L551 HydrophobicContact CD1-CG 4.13Å; L539-L551 HydrophobicContact CG-CD1 4.4Å; L539-I554 HydrophobicContact CB-CG2 4.15Å; L539-I554 HydrophobicContact CD1-CG2 4.11Å; L539-L555 HydrophobicContact CD1-CD1 4.27Å; L539-L555 HydrophobicContact CD1-CD2 3.55Å; L539-L555 HydrophobicContact CD1-CG 3.57Å; L539-L555 HydrophobicContact CD2-CD2 4.05Å; L539-L555 HydrophobicContact CG-CD2 4.49Å; L539-I1278 HydrophobicContact CB-CG2 4.22Å; L539-I1278 HydrophobicContact CD2-CG2 4.04Å; L539-A1291 HydrophobicContact CD2-CB 4.42Å; L539-A1291 HydrophobicContact CG-CB 4.18Å |
| 540 | I | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.4 | -43 | 173.8 | -69.5 | 170.6 | 0 | 0 | 0 | 109.6 | T537 A543 R544 I1284 L1294 | T537-I540 WeakPolarHBondContact O-CA 3.41Å; T537-I540 WeakPolarHBondContact O-CB 3.21Å; T537-I540 PolarHBondContact O-N 3.47Å; T537-I540 PolarHBondContact OG1-N 2.81Å; I540-A543 WeakPolarHBondContact O-CB 3.41Å; I540-A543 PolarHBondContact O-N 3.22Å; I540-R544 PolarHBondContact O-N 2.77Å; I540-R544 VanDerWaalsContact O-N 3.14Å; I540-I1284 HydrophobicContact CD1-CG1 4.26Å; I540-I1284 HydrophobicContact CG2-CD1 4.12Å; I540-I1284 HydrophobicContact CG2-CG1 4.1Å; I540-L1294 HydrophobicContact CG2-CD1 3.71Å |
| 541 | E | 94.7 | Very high | 93 | Very high | 11 Ų | 11 | 30 Ų | 30 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 173 | -58.6 | -52.9 | 146.8 | 0 | 0 | 112.5 | C510 L532 S536 T537 M538 A543 R544 | C510-E541 HydrophobicContact CB-CB 3.71Å; L532-E541 HydrophobicContact CD1-CG 4.49Å; L532-E541 WeakPolarHBondContact CD1-OE1 3.29Å; S536-E541 WeakPolarHBondContact CB-OE1 3.46Å; T537-E541 PolarHBondContact O-N 3.03Å; M538-E541 HydrophobicContact CE-CG 4Å; E541-A543 PolarHBondContact O-N 2.95Å; E541-R544 WeakPolarHBondContact O-CB 3.36Å; E541-R544 PolarHBondContact O-N 3.08Å; E541-R544 VanDerWaalsContact O-N 3.08Å; E541-R544 IonicContact OE1-CZ 2.84Å; E541-R544 IonicContact OE1-NH1 3.58Å; E541-R544 PolarHBondContact OE1-NH1 3.34Å; E541-R544 IonicContact OE2-CZ 2.7Å; E541-R544 IonicContact OE2-NH1 2.88Å; E541-R544 PolarHBondContact OE2-NH1 2.7Å |
| 542 | A | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58 | -35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C510 M538 S545 V550 L551 I554 | C510-A542 HydrophobicContact CB-CB 4.48Å; M538-A542 VanDerWaalsContact O-CB 3.26Å; M538-A542 WeakPolarHBondContact O-CB 3.07Å; M538-A542 PolarHBondContact O-N 3.17Å; A542-S545 PolarHBondContact O-N 3.44Å; A542-S545 PolarHBondContact O-OG 3.26Å; A542-V550 HydrophobicContact CB-CG1 3.66Å; A542-L551 HydrophobicContact CB-CD1 3.74Å; A542-I554 HydrophobicContact CB-CG1 4.25Å |
| 543 | A | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.9 | -30.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L539 I540 E541 S545 G546 L551 A1291 | L539-A543 WeakPolarHBondContact O-CB 3.38Å; L539-A543 PolarHBondContact O-N 3.3Å; I540-A543 WeakPolarHBondContact O-CB 3.41Å; I540-A543 PolarHBondContact O-N 3.22Å; E541-A543 PolarHBondContact O-N 2.95Å; A543-S545 VanDerWaalsContact C-N 3.28Å; A543-S545 PolarHBondContact O-N 3.17Å; A543-G546 PolarHBondContact O-N 2.95Å; A543-L551 HydrophobicContact CB-CD1 4.24Å; A543-A1291 HydrophobicContact CB-CB 3.79Å |
| 544 | R | 93.1 | Very high | 93 | Very high | 79 Ų | 79 | 22.3 Ų | 22.3 | 30% | 0.298 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62 | -35.1 | 173.7 | -67.6 | -171.6 | -177.5 | 103.3 | -0.3 | 112.2 | S536 I540 E541 G546 I1284 L1294 | S536-R544 PolarHBondContact OG-NH2 2.8Å; I540-R544 PolarHBondContact O-N 2.77Å; I540-R544 VanDerWaalsContact O-N 3.14Å; E541-R544 WeakPolarHBondContact O-CB 3.36Å; E541-R544 PolarHBondContact O-N 3.08Å; E541-R544 VanDerWaalsContact O-N 3.08Å; E541-R544 IonicContact OE1-CZ 2.84Å; E541-R544 IonicContact OE1-NH1 3.58Å; E541-R544 PolarHBondContact OE1-NH1 3.34Å; E541-R544 IonicContact OE2-CZ 2.7Å; E541-R544 IonicContact OE2-NH1 2.88Å; E541-R544 PolarHBondContact OE2-NH1 2.7Å; R544-G546 VanDerWaalsContact C-N 3.31Å; R544-G546 PolarHBondContact O-N 3.24Å; R544-I1284 VanDerWaalsContact NH2-CD1 3.26Å; R544-L1294 HydrophobicContact CG-CD1 4.04Å |
| 545 | S | 90.9 | Very high | 93 | Very high | 30 Ų | 30 | 20 Ų | 20 | 21% | 0.21 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -17.3 | -177 | 76.8 | 0 | 0 | 0 | 0 | 116.1 | C510 S511 A542 A543 N547 | C510-S545 WeakPolarHBondContact O-CB 3.4Å; C510-S545 PolarHBondContact O-OG 3.5Å; S511-S545 WeakPolarHBondContact O-CA 3.26Å; S511-S545 VanDerWaalsContact O-CB 3.22Å; S511-S545 WeakPolarHBondContact O-CB 3.31Å; A542-S545 PolarHBondContact O-N 3.44Å; A542-S545 PolarHBondContact O-OG 3.26Å; A543-S545 VanDerWaalsContact C-N 3.28Å; A543-S545 PolarHBondContact O-N 3.17Å; S545-N547 PolarHBondContact O-N 3.33Å; S545-N547 VanDerWaalsContact O-N 3.1Å; S545-N547 PolarHBondContact OG-N 2.95Å; S545-N547 VanDerWaalsContact OG-N 3.1Å |
| 546 | G | 91.2 | Very high | 92.8 | Very high | 17 Ų | 17 | 21 Ų | 21 | 18% | 0.175 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 5.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A543 R544 P548 F1300 L1303 | A543-G546 PolarHBondContact O-N 2.95Å; R544-G546 VanDerWaalsContact C-N 3.31Å; R544-G546 PolarHBondContact O-N 3.24Å; G546-P548 VanDerWaalsContact O-CD 3.32Å; G546-P548 WeakPolarHBondContact O-CD 3.37Å; G546-F1300 VanDerWaalsContact CA-CD2 3.41Å; G546-L1303 WeakPolarHBondContact O-CD1 3.38Å |
| 547 | N | 93.3 | Very high | 92.3 | Very high | 45 Ų | 45 | 24.6 Ų | 24.6 | 24% | 0.241 | 13% | 0.126 | C | C | . | . | trans | -90.7 | 111.4 | -175.6 | -171.5 | -21.4 | 0 | 0 | 0 | 112.4 | G513 S545 A549 V550 L551 | G513-N547 PolarHBondContact O-ND2 3.39Å; S545-N547 PolarHBondContact O-N 3.33Å; S545-N547 VanDerWaalsContact O-N 3.1Å; S545-N547 PolarHBondContact OG-N 2.95Å; S545-N547 VanDerWaalsContact OG-N 3.1Å; N547-A549 PolarHBondContact O-N 3.41Å; N547-A549 VanDerWaalsContact OD1-CB 3.28Å; N547-A549 WeakPolarHBondContact OD1-CB 3.48Å; N547-A549 PolarHBondContact OD1-N 2.89Å; N547-V550 HydrophobicContact CB-CB 4.23Å; N547-V550 HydrophobicContact CB-CG2 3.97Å; N547-V550 PolarHBondContact O-N 3.5Å; N547-L551 PolarHBondContact O-N 2.84Å; N547-L551 VanDerWaalsContact O-N 3.11Å | ||
| 548 | P | 92.1 | Very high | 91.3 | Very high | 33 Ų | 33 | 27.9 Ų | 27.9 | 21% | 0.214 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.7 | -7.7 | -177.9 | 32.3 | -36.7 | 0 | 0 | 0 | 113.3 | G546 R552 L1303 | G546-P548 VanDerWaalsContact O-CD 3.32Å; G546-P548 WeakPolarHBondContact O-CD 3.37Å; P548-R552 WeakPolarHBondContact O-CD 3.35Å; P548-R552 WeakPolarHBondContact O-CG 3.24Å; P548-R552 PolarHBondContact O-N 3.18Å; P548-R552 PolarHBondContact O-NH1 3.38Å; P548-L1303 HydrophobicContact CB-CD1 3.74Å; P548-L1303 HydrophobicContact CG-CD1 4.26Å |
| 549 | A | 92.7 | Very high | 90 | Very high | 42 Ų | 42 | 32.7 Ų | 32.7 | 35% | 0.347 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -78.7 | -44.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111 | A515 N547 R552 L553 | A515-A549 HydrophobicContact CB-CB 4.03Å; N547-A549 PolarHBondContact O-N 3.41Å; N547-A549 VanDerWaalsContact OD1-CB 3.28Å; N547-A549 WeakPolarHBondContact OD1-CB 3.48Å; N547-A549 PolarHBondContact OD1-N 2.89Å; A549-R552 PolarHBondContact O-N 2.56Å; A549-L553 WeakPolarHBondContact O-CG 3.25Å; A549-L553 PolarHBondContact O-N 3.08Å |
| 550 | V | 94 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 174.6 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | C510 G513 A515 V518 A542 N547 R552 L553 I554 | C510-V550 HydrophobicContact CB-CG1 4.19Å; G513-V550 WeakPolarHBondContact O-CG2 3.32Å; A515-V550 HydrophobicContact CB-CG2 3.95Å; V518-V550 HydrophobicContact CG1-CG1 4.47Å; V518-V550 HydrophobicContact CG2-CG1 4.18Å; V518-V550 HydrophobicContact CG2-CG2 4.5Å; A542-V550 HydrophobicContact CB-CG1 3.66Å; N547-V550 HydrophobicContact CB-CB 4.23Å; N547-V550 HydrophobicContact CB-CG2 3.97Å; N547-V550 PolarHBondContact O-N 3.5Å; V550-R552 VanDerWaalsContact C-N 3.27Å; V550-R552 PolarHBondContact O-N 3.44Å; V550-L553 PolarHBondContact O-N 2.72Å; V550-L553 VanDerWaalsContact O-N 3.15Å; V550-I554 PolarHBondContact O-N 3.38Å; V550-I554 VanDerWaalsContact O-N 3.12Å |
| 551 | L | 93.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -36.6 | 179.2 | -158.3 | 78.7 | 0 | 0 | 0 | 112.2 | L539 A542 A543 N547 L555 L1303 L1306 L1307 | L539-L551 HydrophobicContact CD1-CD1 3.57Å; L539-L551 HydrophobicContact CD1-CG 4.13Å; L539-L551 HydrophobicContact CG-CD1 4.4Å; A542-L551 HydrophobicContact CB-CD1 3.74Å; A543-L551 HydrophobicContact CB-CD1 4.24Å; N547-L551 PolarHBondContact O-N 2.84Å; N547-L551 VanDerWaalsContact O-N 3.11Å; L551-L555 HydrophobicContact CD2-CD1 4.02Å; L551-L555 HydrophobicContact CG-CD1 3.86Å; L551-L555 HydrophobicContact CG-CG 4.46Å; L551-L555 VanDerWaalsContact O-CB 3.27Å; L551-L555 WeakPolarHBondContact O-CB 3.32Å; L551-L555 WeakPolarHBondContact O-CD1 3.39Å; L551-L555 VanDerWaalsContact O-CG 3.23Å; L551-L555 WeakPolarHBondContact O-CG 3.21Å; L551-L555 PolarHBondContact O-N 3.34Å; L551-L1303 HydrophobicContact CD2-CB 4.17Å; L551-L1303 HydrophobicContact CD2-CD2 4.12Å; L551-L1303 HydrophobicContact CD2-CG 3.85Å; L551-L1306 HydrophobicContact CD2-CD2 4.15Å; L551-L1307 HydrophobicContact CD2-CD1 4.2Å; L551-L1307 HydrophobicContact CD2-CD2 3.97Å; L551-L1307 HydrophobicContact CD2-CG 3.82Å |
| 552 | R | 92.9 | Very high | 84.7 | Confident | 109 Ų | 109 | 41.6 Ų | 41.6 | 41% | 0.411 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.9 | -43.3 | 173.6 | -74.1 | 177.8 | -168.6 | 109.2 | -4.2 | 112.8 | P548 A549 V550 I554 L555 D556 L1306 | P548-R552 WeakPolarHBondContact O-CD 3.35Å; P548-R552 WeakPolarHBondContact O-CG 3.24Å; P548-R552 PolarHBondContact O-N 3.18Å; P548-R552 PolarHBondContact O-NH1 3.38Å; A549-R552 PolarHBondContact O-N 2.56Å; V550-R552 VanDerWaalsContact C-N 3.27Å; V550-R552 PolarHBondContact O-N 3.44Å; R552-I554 PolarHBondContact O-N 3.29Å; R552-L555 PolarHBondContact O-N 3.08Å; R552-D556 WeakPolarHBondContact O-CB 3.14Å; R552-D556 PolarHBondContact O-N 3.39Å; R552-L1306 HydrophobicContact CG-CD2 3.52Å |
| 553 | L | 92.2 | Very high | 82 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 12% | 0.12 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.1 | -37.4 | 177.5 | -77 | 168.2 | 0 | 0 | 0 | 112 | A515 V518 E519 A549 V550 C560 | A515-L553 HydrophobicContact CB-CD1 4.16Å; A515-L553 VanDerWaalsContact O-CD1 3.24Å; A515-L553 WeakPolarHBondContact O-CD1 3.33Å; V518-L553 HydrophobicContact CB-CD1 4.44Å; V518-L553 HydrophobicContact CG1-CB 4.29Å; V518-L553 HydrophobicContact CG1-CD1 4.3Å; E519-L553 HydrophobicContact CB-CD1 4.1Å; E519-L553 HydrophobicContact CB-CD2 4.23Å; A549-L553 WeakPolarHBondContact O-CG 3.25Å; A549-L553 PolarHBondContact O-N 3.08Å; V550-L553 PolarHBondContact O-N 2.72Å; V550-L553 VanDerWaalsContact O-N 3.15Å; L553-C560 HydrophobicContact CD2-CB 4.3Å |
| 554 | I | 92.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.6 | -60.2 | 172.3 | -60.8 | -62.4 | 0 | 0 | 0 | 111 | V518 L522 P528 M538 L539 A542 V550 R552 D556 Y557 I1278 | V518-I554 HydrophobicContact CG1-CD1 4.33Å; L522-I554 HydrophobicContact CD1-CD1 4.25Å; P528-I554 HydrophobicContact CB-CD1 4.12Å; M538-I554 HydrophobicContact CB-CD1 4.12Å; L539-I554 HydrophobicContact CB-CG2 4.15Å; L539-I554 HydrophobicContact CD1-CG2 4.11Å; A542-I554 HydrophobicContact CB-CG1 4.25Å; V550-I554 PolarHBondContact O-N 3.38Å; V550-I554 VanDerWaalsContact O-N 3.12Å; R552-I554 PolarHBondContact O-N 3.29Å; I554-D556 VanDerWaalsContact C-N 3.27Å; I554-D556 PolarHBondContact O-N 3.22Å; I554-Y557 WeakPolarHBondContact O-CB 3.45Å; I554-Y557 PolarHBondContact O-N 3.44Å; I554-Y557 VanDerWaalsContact O-N 3.12Å; I554-I1278 HydrophobicContact CG2-CD1 3.49Å; I554-I1278 VanDerWaalsContact CG2-CD1 3.49Å; I554-I1278 WeakPolarHBondContact O-CD1 3.46Å |
| 555 | L | 89.5 | Confident | 76 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.8 | -33.4 | -173.7 | -76.9 | 169.2 | 0 | 0 | 0 | 114.8 | L539 L551 R552 V1280 L1306 R1310 | L539-L555 HydrophobicContact CD1-CD1 4.27Å; L539-L555 HydrophobicContact CD1-CD2 3.55Å; L539-L555 HydrophobicContact CD1-CG 3.57Å; L539-L555 HydrophobicContact CD2-CD2 4.05Å; L539-L555 HydrophobicContact CG-CD2 4.49Å; L551-L555 HydrophobicContact CD2-CD1 4.02Å; L551-L555 HydrophobicContact CG-CD1 3.86Å; L551-L555 HydrophobicContact CG-CG 4.46Å; L551-L555 VanDerWaalsContact O-CB 3.27Å; L551-L555 WeakPolarHBondContact O-CB 3.32Å; L551-L555 WeakPolarHBondContact O-CD1 3.39Å; L551-L555 VanDerWaalsContact O-CG 3.23Å; L551-L555 WeakPolarHBondContact O-CG 3.21Å; L551-L555 PolarHBondContact O-N 3.34Å; R552-L555 PolarHBondContact O-N 3.08Å; L555-V1280 HydrophobicContact CD2-CG2 4.08Å; L555-L1306 HydrophobicContact CD1-CD2 4.14Å; L555-L1306 HydrophobicContact CD1-CG 4.07Å; L555-R1310 HydrophobicContact CD1-CG 4.1Å; L555-R1310 HydrophobicContact CD2-CG 4.5Å |
| 556 | D | 86.1 | Confident | 72.9 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 18% | 0.176 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 9.9 | -177.2 | -67.7 | -47.3 | 0 | 0 | 0 | 113.1 | R552 I554 K559 C560 R1310 | R552-D556 WeakPolarHBondContact O-CB 3.14Å; R552-D556 PolarHBondContact O-N 3.39Å; I554-D556 VanDerWaalsContact C-N 3.27Å; I554-D556 PolarHBondContact O-N 3.22Å; D556-K559 WeakPolarHBondContact O-CA 3.4Å; D556-K559 WeakPolarHBondContact O-CB 3.46Å; D556-K559 PolarHBondContact O-N 2.71Å; D556-C560 VanDerWaalsContact CB-SG 3.52Å; D556-C560 PolarHBondContact O-N 3.32Å; D556-R1310 IonicContact OD1-CZ 3.32Å; D556-R1310 IonicContact OD1-NH1 3.09Å; D556-R1310 PolarHBondContact OD1-NH1 2.91Å; D556-R1310 IonicContact OD1-NH2 3.45Å; D556-R1310 PolarHBondContact OD1-NH2 2.91Å; D556-R1310 VanDerWaalsContact OD1-NH2 3.14Å; D556-R1310 IonicContact OD2-CZ 3.23Å; D556-R1310 IonicContact OD2-NH1 2.76Å; D556-R1310 IonicContact OD2-NH2 2.64Å; D556-R1310 PolarHBondContact OD2-NH2 3.32Å |
| 557 | Y | 82.7 | Confident | 69.9 | Low | 76 Ų | 76 | 69.4 Ų | 69.4 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 142.4 | 172.2 | -175.2 | -90.9 | 0 | 0 | 0 | 112.1 | L522 P528 I554 K559 L561 | L522-Y557 HydrophobicContact CB-CD2 4.46Å; L522-Y557 HydrophobicContact CB-CE2 4.2Å; L522-Y557 HydrophobicContact CD1-CD2 4.33Å; L522-Y557 HydrophobicContact CD2-CD2 4.2Å; L522-Y557 HydrophobicContact CD2-CE2 4.15Å; P528-Y557 HydrophobicContact CG-CD1 3.5Å; P528-Y557 HydrophobicContact CG-CD2 4.26Å; P528-Y557 HydrophobicContact CG-CE1 3.66Å; P528-Y557 HydrophobicContact CG-CE2 4.41Å; P528-Y557 HydrophobicContact CG-CG 3.82Å; I554-Y557 WeakPolarHBondContact O-CB 3.45Å; I554-Y557 PolarHBondContact O-N 3.44Å; I554-Y557 VanDerWaalsContact O-N 3.12Å; Y557-K559 VanDerWaalsContact C-N 3.35Å; Y557-L561 HydrophobicContact CD2-CD1 4.25Å; Y557-L561 HydrophobicContact CE2-CD1 3.71Å; Y557-L561 HydrophobicContact CE2-CG 4.48Å |
| 558 | P | 73.8 | Confident | 66.8 | Low | 81 Ų | 81 | 75.4 Ų | 75.4 | 53% | 0.526 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87.3 | 7.7 | -6.8 | 36 | -36.1 | 0 | 0 | 0 | 113.5 | C560 L561 | P558-C560 PolarHBondContact O-N 2.74Å; P558-L561 PolarHBondContact O-N 3.29Å |
| 559 | K | 66.3 | Low | 64 | Low | 102 Ų | 102 | 79.4 Ų | 79.4 | 44% | 0.443 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -58.4 | -35.5 | -172.4 | -52.2 | 166.7 | -176.7 | 164.4 | 0 | 111.7 | D556 Y557 L561 S562 V1274 | D556-K559 WeakPolarHBondContact O-CA 3.4Å; D556-K559 WeakPolarHBondContact O-CB 3.46Å; D556-K559 PolarHBondContact O-N 2.71Å; Y557-K559 VanDerWaalsContact C-N 3.35Å; K559-L561 VanDerWaalsContact C-N 3.28Å; K559-L561 PolarHBondContact O-N 3.3Å; K559-S562 PolarHBondContact O-N 2.86Å; K559-S562 PolarHBondContact O-OG 3.37Å; K559-S562 VanDerWaalsContact O-OG 3.07Å; K559-V1274 PolarHBondContact NZ-O 3.09Å |
| 560 | C | 61.9 | Low | 60.8 | Low | 53 Ų | 53 | 85 Ų | 85 | 36% | 0.358 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -60.7 | -30.1 | 176.8 | -71.6 | 0 | 0 | 0 | 0 | 114.5 | L553 D556 P558 S562 | L553-C560 HydrophobicContact CD2-CB 4.3Å; D556-C560 VanDerWaalsContact CB-SG 3.52Å; D556-C560 PolarHBondContact O-N 3.32Å; P558-C560 PolarHBondContact O-N 2.74Å; C560-S562 PolarHBondContact O-N 3.22Å |
| 561 | L | 58.9 | Low | 57.8 | Low | 52 Ų | 52 | 89.4 Ų | 89.4 | 27% | 0.272 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -81.4 | 2 | -175.6 | -58 | -171.6 | 0 | 0 | 0 | 113.8 | E519 L522 Q523 Y557 P558 K559 Q563 | E519-L561 HydrophobicContact CG-CD2 4.46Å; L522-L561 HydrophobicContact CB-CD1 4.32Å; Q523-L561 HydrophobicContact CG-CD1 4.29Å; Q523-L561 HydrophobicContact CG-CD2 3.75Å; Y557-L561 HydrophobicContact CD2-CD1 4.25Å; Y557-L561 HydrophobicContact CE2-CD1 3.71Å; Y557-L561 HydrophobicContact CE2-CG 4.48Å; P558-L561 PolarHBondContact O-N 3.29Å; K559-L561 VanDerWaalsContact C-N 3.28Å; K559-L561 PolarHBondContact O-N 3.3Å; L561-Q563 VanDerWaalsContact C-N 3.35Å; L561-Q563 PolarHBondContact O-N 3.09Å |
| 562 | S | 51.3 | Low | 55.1 | Low | 96 Ų | 96 | 94.1 Ų | 94.1 | 67% | 0.671 | 54% | 0.542 | S | S | * | . | trans | -88.3 | 14.9 | -170.4 | 77 | 0 | 0 | 0 | 0 | 115.7 | K559 C560 | K559-S562 PolarHBondContact O-N 2.86Å; K559-S562 PolarHBondContact O-OG 3.37Å; K559-S562 VanDerWaalsContact O-OG 3.07Å; C560-S562 PolarHBondContact O-N 3.22Å | ||
| 563 | Q | 37.3 | Very low | 52.5 | Low | 169 Ų | 169 | 94.5 Ų | 94.5 | 79% | 0.79 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -103.9 | 120.4 | 173 | -64.6 | -160.1 | 24.6 | 0 | 0 | 111.3 | L561 S565 | L561-Q563 VanDerWaalsContact C-N 3.35Å; L561-Q563 PolarHBondContact O-N 3.09Å; Q563-S565 PolarHBondContact O-N 3.36Å; Q563-S565 VanDerWaalsContact O-N 3.09Å |
| 564 | P | 30.6 | Very low | 49.5 | Very low | 126 Ų | 126 | 101.6 Ų | 101.6 | 82% | 0.818 | 59% | 0.589 | S | S | * | * | trans | -82.3 | 91 | -174.5 | 32.1 | -34.9 | 0 | 0 | 0 | 112.5 | S566 | P564-S566 PolarHBondContact O-N 3.24Š| ||
| 565 | S | 32.4 | Very low | 46.6 | Very low | 122 Ų | 122 | 108 Ų | 108 | 85% | 0.853 | 62% | 0.622 | S | S | * | * | trans | -66.2 | 98.9 | 165.4 | -71.1 | 0 | 0 | 0 | 0 | 110.6 | Q563 M567 | Q563-S565 PolarHBondContact O-N 3.36Å; Q563-S565 VanDerWaalsContact O-N 3.09Å; S565-M567 PolarHBondContact O-N 2.9Å | ||
| 566 | S | 26.8 | Very low | 44 | Very low | 111 Ų | 111 | 113.1 Ų | 113.1 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | trans | -77.4 | 100.8 | -174.3 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | P564 | P564-S566 PolarHBondContact O-N 3.24Š| ||
| 567 | M | 27.3 | Very low | 41.3 | Very low | 181 Ų | 181 | 115.6 Ų | 115.6 | 89% | 0.892 | 68% | 0.678 | S | S | * | * | trans | -174.2 | 79.6 | 154.5 | -97.3 | -57.2 | 174.3 | 0 | 0 | 111 | S565 | S565-M567 PolarHBondContact O-N 2.9Š| ||
| 568 | L | 29.4 | Very low | 38.8 | Very low | 172 Ų | 172 | 117.9 Ų | 117.9 | 90% | 0.901 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -170.8 | 150.1 | 158.7 | -103.5 | 152.5 | 0 | 0 | 0 | 110 | ||
| 569 | P | 31.9 | Very low | 36.9 | Very low | 116 Ų | 116 | 119 Ų | 119 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | trans | -79.3 | 144.7 | -174.4 | -16.1 | 32.3 | 0 | 0 | 0 | 115.2 | A571 | P569-A571 PolarHBondContact O-N 2.87Š| ||
| 570 | N | 26.7 | Very low | 35.3 | Very low | 161 Ų | 161 | 121.6 Ų | 121.6 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -66.3 | 111.7 | 174.8 | -84.4 | -32 | 0 | 0 | 0 | 112.8 | ||
| 571 | A | 31.1 | Very low | 33.8 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -145.1 | -41.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P569 | P569-A571 PolarHBondContact O-N 2.87Š|
| 572 | S | 36.7 | Very low | 32.4 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -85.8 | -20.4 | -164.2 | -39.7 | 0 | 0 | 0 | 0 | 116 | Q574 | S572-Q574 VanDerWaalsContact C-N 3.28Å; S572-Q574 PolarHBondContact O-N 2.93Å |
| 573 | V | 36.8 | Very low | 31.4 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -12.7 | -163.3 | -174.7 | 0 | 0 | 0 | 0 | 114 | L575 | V573-L575 PolarHBondContact O-N 2.8Š|
| 574 | Q | 30.8 | Very low | 30.9 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -8.7 | -170.3 | -142.6 | 76 | 55.8 | 0 | 0 | 115.4 | S572 | S572-Q574 VanDerWaalsContact C-N 3.28Å; S572-Q574 PolarHBondContact O-N 2.93Å |
| 575 | L | 29.8 | Very low | 30.7 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -95.7 | -27.5 | -168.7 | -96.2 | 152.2 | 0 | 0 | 0 | 115.3 | V573 A577 N578 | V573-L575 PolarHBondContact O-N 2.8Å; L575-A577 PolarHBondContact O-N 3.06Å; L575-N578 PolarHBondContact O-N 3.39Å |
| 576 | V | 35 | Very low | 30.5 | Very low | 112 Ų | 112 | 141 Ų | 141 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -22.2 | -173.2 | -174.7 | 0 | 0 | 0 | 0 | 113 | N578 | V576-N578 VanDerWaalsContact C-N 3.32Å; V576-N578 PolarHBondContact O-N 3.09Å |
| 577 | A | 30.2 | Very low | 30.5 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -11.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L575 | L575-A577 PolarHBondContact O-N 3.06Š|
| 578 | N | 30.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 67% | 0.668 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -112.4 | -10.9 | -169.9 | -76.4 | -32.2 | 0 | 0 | 0 | 115.4 | L575 V576 | L575-N578 PolarHBondContact O-N 3.39Å; V576-N578 VanDerWaalsContact C-N 3.32Å; V576-N578 PolarHBondContact O-N 3.09Å |
| 579 | T | 33.9 | Very low | 30.3 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 63% | 0.632 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -81 | -22 | -177.6 | 36.7 | 0 | 0 | 0 | 0 | 114 | N581 Q582 | T579-N581 PolarHBondContact O-N 2.85Å; T579-Q582 PolarHBondContact O-N 2.99Å |
| 580 | L | 31.7 | Very low | 30 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 11.9 | 179.6 | -88.1 | 159.3 | 0 | 0 | 0 | 115.8 | ||
| 581 | N | 31.1 | Very low | 30.1 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.5 | 16.1 | -174.5 | -118.6 | -23.7 | 0 | 0 | 0 | 114.4 | T579 | T579-N581 PolarHBondContact O-N 2.85Š|
| 582 | Q | 29.4 | Very low | 30.1 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | -120.1 | 17.2 | -177.4 | -67.7 | -161.2 | 0.4 | 0 | 0 | 116.4 | T579 Q584 | T579-Q582 PolarHBondContact O-N 2.99Å; Q582-Q584 PolarHBondContact O-N 3.09Å | ||
| 583 | H | 31.1 | Very low | 29.8 | Very low | 198 Ų | 198 | 152.2 Ų | 152.2 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 29.8 | 174.6 | -91.1 | -46.3 | 0 | 0 | 0 | 115.3 | ||
| 584 | Q | 26.8 | Very low | 29.5 | Very low | 188 Ų | 188 | 156.4 Ų | 156.4 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | 27.9 | 178 | -70.9 | -163.3 | -6.3 | 0 | 0 | 115.9 | Q582 | Q582-Q584 PolarHBondContact O-N 3.09Š|
| 585 | T | 24.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -159.9 | 86.2 | 160.5 | 29.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 586 | Q | 28.2 | Very low | 29.4 | Very low | 199 Ų | 199 | 150.9 Ų | 150.9 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -142.4 | 60.5 | 160.1 | -75.7 | -160 | -7.7 | 0 | 0 | 112.5 | ||||
| 587 | H | 27.8 | Very low | 29.2 | Very low | 184 Ų | 184 | 154.8 Ų | 154.8 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -97.5 | 150.1 | 144.6 | -80.2 | -68.6 | 0 | 0 | 0 | 107.8 | ||
| 588 | Q | 25.8 | Very low | 29.2 | Very low | 180 Ų | 180 | 159.1 Ų | 159.1 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 72.8 | 63.2 | 179.4 | -51.9 | -179.2 | -27.3 | 0 | 0 | 117 | ||
| 589 | F | 26.7 | Very low | 29.1 | Very low | 221 Ų | 221 | 158 Ų | 158 | 97% | 0.969 | 80% | 0.796 | S | S | * | * | trans | -153.3 | 72.7 | 146 | -109.7 | -69.1 | 0 | 0 | 0 | 110.5 | ||||
| 590 | S | 26.2 | Very low | 28.8 | Very low | 98 Ų | 98 | 160.9 Ų | 160.9 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | -152 | 77.8 | -170.1 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 591 | H | 28.7 | Very low | 28.7 | Very low | 162 Ų | 162 | 160.4 Ų | 160.4 | 75% | 0.75 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -151.1 | -44.4 | 171.3 | -137.5 | -81.4 | 0 | 0 | 0 | 115.8 | ||
| 592 | D | 30.8 | Very low | 28.6 | Very low | 146 Ų | 146 | 159 Ų | 159 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -7 | -156.2 | -60.2 | -39.2 | 0 | 0 | 0 | 117.6 | ||
| 593 | Q | 30.7 | Very low | 28.7 | Very low | 177 Ų | 177 | 155 Ų | 155 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -9.1 | 175.6 | -81 | -172.4 | -26.1 | 0 | 0 | 115.1 | ||
| 594 | R | 29.6 | Very low | 28.7 | Very low | 206 Ų | 206 | 152.7 Ų | 152.7 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | G | 310 helix | trans | -80.2 | -15.5 | -179.9 | -82.6 | -176.3 | 171.8 | 157.1 | -0.5 | 114.7 | A596 | R594-A596 VanDerWaalsContact C-N 3.31Å; R594-A596 PolarHBondContact O-N 2.86Å |
| 595 | S | 28.8 | Very low | 29 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | G | 310 helix | trans | -77.1 | -8.6 | -173.2 | -164.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 596 | A | 29 | Very low | 29.1 | Very low | 75 Ų | 75 | 148.6 Ų | 148.6 | 62% | 0.62 | 80% | 0.801 | S | S | * | * | G | 310 helix | trans | -99.6 | -18.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R594 | R594-A596 VanDerWaalsContact C-N 3.31Å; R594-A596 PolarHBondContact O-N 2.86Å |
| 597 | Y | 31.5 | Very low | 29.1 | Very low | 194 Ų | 194 | 147.2 Ų | 147.2 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -100.7 | 12.6 | -170.7 | -84.1 | -85.5 | 0 | 0 | 0 | 114.5 | ||
| 598 | Q | 30.3 | Very low | 29.2 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -122.7 | 11.4 | -171.5 | -78.6 | -165.1 | -42.6 | 0 | 0 | 115.8 | ||
| 599 | S | 28.4 | Very low | 29.3 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -118 | 17.9 | -171.2 | 63.3 | 0 | 0 | 0 | 0 | 116.1 | ||
| 600 | L | 28.4 | Very low | 29.4 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -126.4 | 6.6 | -170.8 | -89.2 | 162.6 | 0 | 0 | 0 | 115.9 | ||
| 601 | V | 27.9 | Very low | 29.4 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -130.5 | 70.7 | -177.2 | -167.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 602 | S | 30.8 | Very low | 29.3 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -164.3 | 131.4 | 158.6 | 56.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 603 | G | 30.4 | Very low | 29.7 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -124 | -167 | -161 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 604 | V | 30.9 | Very low | 30 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 92% | 0.915 | 79% | 0.786 | S | S | * | * | trans | 67.1 | 150.7 | 172.9 | -80.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 605 | P | 33.7 | Very low | 30.1 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -129.9 | 177.6 | -132.6 | 43.8 | -30.7 | 0 | 0 | 0 | 116 | ||||
| 606 | T | 27 | Very low | 30.8 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 176.7 | 139.7 | 130.7 | 24.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 607 | I | 27.3 | Very low | 31.2 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | 46.4 | 117.3 | 141.7 | -53.7 | 163.7 | 0 | 0 | 0 | 119.3 | ||||
| 608 | G | 29.5 | Very low | 31.4 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 162.3 | 95.8 | 155 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 609 | N | 28.4 | Very low | 31.5 | Very low | 165 Ų | 165 | 128 Ų | 128 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -66 | 147.4 | 169.5 | -71.6 | -27 | 0 | 0 | 0 | 112.2 | ||||
| 610 | V | 29.1 | Very low | 31.8 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | 167.1 | 107.5 | 124.8 | 155.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 611 | I | 26.4 | Very low | 31.8 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | 62.4 | 114.1 | 131.8 | -52.8 | -179.9 | 0 | 0 | 0 | 121.9 | ||||
| 612 | M | 26.3 | Very low | 31.8 | Very low | 170 Ų | 170 | 127.2 Ų | 127.2 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | trans | 89.5 | 138.3 | 145.6 | -77.3 | 178.4 | 79 | 0 | 0 | 124.6 | ||||
| 613 | P | 39.6 | Very low | 31.7 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | -93.6 | -167.9 | 165.9 | 42.8 | -38 | 0 | 0 | 0 | 111.6 | ||||
| 614 | P | 36.8 | Very low | 31.8 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -127 | -138.7 | 0.3 | 40.2 | -17.7 | 0 | 0 | 0 | 110.6 | ||||
| 615 | P | 31.7 | Very low | 31.8 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | cis | -133.6 | 175.8 | -17.3 | 40.2 | -21.4 | 0 | 0 | 0 | 117.1 | ||||
| 616 | P | 43.7 | Very low | 31.5 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -97.6 | 144.2 | -179.1 | 37.5 | -35.6 | 0 | 0 | 0 | 116.7 | ||||
| 617 | P | 36.6 | Very low | 31.8 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -152.8 | -174.9 | 143.7 | 38.6 | -20.9 | 0 | 0 | 0 | 114.3 | ||||
| 618 | P | 35.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | cis | -132.5 | 178.3 | -41 | 36.7 | -19.3 | 0 | 0 | 0 | 114.4 | ||||
| 619 | L | 32.3 | Very low | 32 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -83.1 | 160.3 | 172 | -68.9 | 165.1 | 0 | 0 | 0 | 114.5 | ||||
| 620 | P | 34.5 | Very low | 32.2 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -101.8 | 151.1 | 151.9 | 36.3 | -28.7 | 0 | 0 | 0 | 112.7 | ||||
| 621 | I | 28.4 | Very low | 32.3 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -121.9 | 151.8 | -176.5 | -62 | 171 | 0 | 0 | 0 | 110.8 | V623 | I621-V623 HydrophobicContact CG2-CG2 3.89Š| ||
| 622 | S | 29.7 | Very low | 32.3 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -140.1 | 157.8 | 154.9 | -86.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 623 | V | 28.3 | Very low | 32.5 | Very low | 130 Ų | 130 | 126 Ų | 126 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | trans | -132.7 | 135.1 | -143.6 | 177.7 | 0 | 0 | 0 | 0 | 114 | I621 | I621-V623 HydrophobicContact CG2-CG2 3.89Š| ||
| 624 | S | 31.8 | Very low | 32.1 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | 175.7 | 160.4 | 138.2 | 43 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 625 | G | 31 | Very low | 32.2 | Very low | 76 Ų | 76 | 126.6 Ų | 126.6 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | 134.6 | 21.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 626 | I | 27.2 | Very low | 32.2 | Very low | 168 Ų | 168 | 126.2 Ų | 126.2 | 86% | 0.862 | 76% | 0.764 | S | S | * | * | trans | -37.2 | 127.2 | 179.3 | -47.3 | 167.9 | 0 | 0 | 0 | 115.7 | ||||
| 627 | A | 33.4 | Very low | 31.7 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | 164.6 | 116.2 | 121.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 628 | N | 30.3 | Very low | 31.6 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | 48.1 | 148.9 | 125.2 | -68.5 | 26 | 0 | 0 | 0 | 122.3 | |||||
| 629 | M | 30.7 | Very low | 31.3 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | cis | -162.4 | 149.8 | 18.2 | -131 | 154.8 | 154.2 | 0 | 0 | 113.5 | ||||
| 630 | D | 32.8 | Very low | 31.1 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | trans | 56.3 | 156.2 | 148.8 | -58.8 | -10.5 | 0 | 0 | 0 | 122.1 | ||||
| 631 | M | 31.1 | Very low | 30.8 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | cis | -171.3 | 168.7 | -25.2 | -100.4 | -164 | 72.1 | 0 | 0 | 108 | L633 | M631-L633 HydrophobicContact CE-CD1 4.48Š| ||
| 632 | C | 27.4 | Very low | 31 | Very low | 102 Ų | 102 | 131 Ų | 131 | 69% | 0.689 | 76% | 0.756 | S | S | * | * | cis | -177.3 | 171.6 | -42.2 | -159 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 633 | L | 30.6 | Very low | 30.8 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | 88.2 | 155.6 | 159.4 | -62.7 | 168.6 | 0 | 0 | 0 | 122 | M631 | M631-L633 HydrophobicContact CE-CD1 4.48Š| ||
| 634 | D | 29.9 | Very low | 30.7 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | -127.9 | -164.3 | -157 | -166.2 | 28.5 | 0 | 0 | 0 | 108.1 | ||||
| 635 | P | 38.9 | Very low | 30.5 | Very low | 94 Ų | 94 | 134 Ų | 134 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | cis | -133.7 | 177.5 | -23.7 | 11.5 | 15.7 | 0 | 0 | 0 | 117.6 | ||||
| 636 | S | 32.2 | Very low | 30.3 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | 90.7 | 136.7 | 135.3 | 69.5 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 637 | H | 32.1 | Very low | 30.5 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | trans | 84.7 | 158 | 140.4 | -85.4 | -43.2 | 0 | 0 | 0 | 121.8 | ||||
| 638 | P | 36.1 | Very low | 30.2 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | -132.3 | -175.2 | -127.6 | 45.4 | -29.8 | 0 | 0 | 0 | 117.7 | |||||
| 639 | H | 28.2 | Very low | 30.2 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | 65.1 | 121.4 | 170 | -65.6 | -69.6 | 0 | 0 | 0 | 118.3 | ||||
| 640 | L | 29.1 | Very low | 30.4 | Very low | 175 Ų | 175 | 135 Ų | 135 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | 171.1 | 150.3 | 116.9 | -91.7 | 160.3 | 0 | 0 | 0 | 114.5 | |||||
| 641 | H | 28 | Very low | 30.2 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | trans | -72.8 | 172.8 | 162.5 | -109.7 | -127.8 | 0 | 0 | 0 | 110.9 | ||||
| 642 | P | 32.6 | Very low | 30.3 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | cis | -144.5 | -163.8 | -40.8 | 40.6 | -21.1 | 0 | 0 | 0 | 113.4 | ||||
| 643 | Q | 25.5 | Very low | 30.5 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | trans | 77.2 | 155.4 | 148.6 | -81.4 | -176.7 | -8.1 | 0 | 0 | 122.7 | ||||
| 644 | A | 26.3 | Very low | 30.3 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | trans | 90.6 | 102.4 | 146.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 645 | H | 27.5 | Very low | 30.2 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | 69.8 | 154.9 | 127.3 | -63.8 | -41.7 | 0 | 0 | 0 | 119.6 | |||||
| 646 | S | 25.9 | Very low | 29.5 | Very low | 78 Ų | 78 | 136.6 Ų | 136.6 | 55% | 0.545 | 73% | 0.733 | S | S | . | * | cis | -160.8 | -178.1 | -2.6 | 30.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 647 | H | 32.9 | Very low | 29.2 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | trans | 92.7 | 136.7 | 161.2 | -48.6 | -68.4 | 0 | 0 | 0 | 117.8 | ||||
| 648 | S | 27.1 | Very low | 29 | Very low | 92 Ų | 92 | 140 Ų | 140 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | cis | 146.4 | 123.5 | -32.8 | 60.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 649 | C | 29.5 | Very low | 28.6 | Very low | 115 Ų | 115 | 140 Ų | 140 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | 179 | 119.8 | 150.2 | -94.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 650 | H | 34.3 | Very low | 28.8 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | 72.7 | 136.7 | 81.3 | -71.5 | 35.2 | 0 | 0 | 0 | 113.6 | |||||
| 651 | S | 28.7 | Very low | 28.8 | Very low | 84 Ų | 84 | 133.4 Ų | 133.4 | 59% | 0.587 | 73% | 0.73 | S | S | * | * | cis | -175.3 | 179.9 | -4.3 | 42.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 652 | H | 33.8 | Very low | 28.7 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 73% | 0.731 | 72% | 0.724 | S | S | * | * | trans | 80.8 | 151.9 | 170 | -59.5 | -80 | 0 | 0 | 0 | 119 | ||||
| 653 | Q | 31.4 | Very low | 28.2 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | cis | -164.6 | 142.9 | -41.3 | -135.3 | 170.3 | -13.4 | 0 | 0 | 111.7 | ||||
| 654 | Q | 25.5 | Very low | 28.2 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | trans | -12.9 | 142.4 | 161.7 | -57.5 | 164.1 | -77.5 | 0 | 0 | 120.4 | ||||
| 655 | L | 28.1 | Very low | 28.1 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 93% | 0.927 | 72% | 0.719 | S | S | * | * | -162.6 | 165.3 | 116.6 | -105.8 | 163.7 | 0 | 0 | 0 | 111.9 | |||||
| 656 | S | 24.4 | Very low | 28 | Very low | 81 Ų | 81 | 122.3 Ų | 122.3 | 57% | 0.566 | 69% | 0.694 | S | S | * | * | trans | -126 | 154.2 | -160.2 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 657 | F | 26.3 | Very low | 27.9 | Very low | 174 Ų | 174 | 121.3 Ų | 121.3 | 76% | 0.763 | 68% | 0.684 | S | S | * | * | 179.7 | 148.8 | 112.8 | -106.6 | -74.8 | 0 | 0 | 0 | 115.2 | |||||
| 658 | Q | 28.9 | Very low | 27.5 | Very low | 179 Ų | 179 | 118 Ų | 118 | 84% | 0.836 | 67% | 0.672 | S | S | * | * | trans | 68 | 119.7 | 153.2 | -91.6 | 149.7 | -11.9 | 0 | 0 | 123 | ||||
| 659 | A | 27.4 | Very low | 27.4 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | trans | -75.4 | -173.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 660 | P | 30.6 | Very low | 27.2 | Very low | 116 Ų | 116 | 117.5 Ų | 117.5 | 75% | 0.753 | 67% | 0.666 | S | S | * | * | cis | -125.2 | -177.3 | 10.5 | 40.7 | -20.3 | 0 | 0 | 0 | 113.3 | ||||
| 661 | S | 30.4 | Very low | 26.8 | Very low | 97 Ų | 97 | 113.4 Ų | 113.4 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | cis | -151.3 | 156.4 | 24.6 | -49.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 662 | S | 25 | Very low | 26.9 | Very low | 96 Ų | 96 | 111 Ų | 111 | 67% | 0.671 | 63% | 0.629 | S | S | * | * | trans | 41.3 | 115.6 | 143.8 | 53.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 663 | L | 23.6 | Very low | 26.6 | Very low | 163 Ų | 163 | 105.6 Ų | 105.6 | 85% | 0.853 | 61% | 0.608 | S | S | * | * | 61.8 | 135 | 87 | -85.2 | 77.5 | 0 | 0 | 0 | 113.3 | |||||
| 664 | S | 24.1 | Very low | 26.4 | Very low | 86 Ų | 86 | 101.3 Ų | 101.3 | 60% | 0.601 | 59% | 0.591 | S | S | * | * | cis | -175.6 | 161.1 | -4.9 | 43 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 665 | T | 24.2 | Very low | 26.5 | Very low | 85 Ų | 85 | 96.4 Ų | 96.4 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | trans | 67.4 | 134.1 | 156.5 | 38.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 666 | S | 25 | Very low | 26.5 | Very low | 47 Ų | 47 | 93.2 Ų | 93.2 | 33% | 0.329 | 55% | 0.551 | S | S | . | * | cis | -146.9 | -101.7 | -14.1 | -4.6 | 0 | 0 | 0 | 0 | 118.8 | G900 S901 N902 | S666-G900 WeakPolarHBondContact CB-O 3.33Å; S666-S901 WeakPolarHBondContact CB-OG 3.33Å; S666-S901 PolarHBondContact OG-OG 3.26Å; S666-S901 VanDerWaalsContact OG-OG 3.07Å; S666-N902 PolarHBondContact N-O 3.44Å; S666-N902 PolarHBondContact OG-N 3.41Å; S666-N902 PolarHBondContact OG-O 3.19Å | ||
| 667 | T | 24.7 | Very low | 26.7 | Very low | 57 Ų | 57 | 95.2 Ų | 95.2 | 35% | 0.35 | 56% | 0.556 | S | S | . | * | cis | -161.1 | 171.6 | 24.4 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | S901 N902 L903 | T667-S901 CarbonylContact C-O 3.33Å; T667-S901 VanDerWaalsContact C-O 3.29Å; T667-S901 VanDerWaalsContact CA-O 3.32Å; T667-S901 WeakPolarHBondContact CA-O 3.24Å; T667-N902 PolarHBondContact OG1-O 3.33Å; T667-L903 HydrophobicContact CG2-CB 4.02Å; T667-L903 VanDerWaalsContact CG2-N 3.26Å; T667-L903 WeakPolarHBondContact OG1-CB 3.47Å; T667-L903 PolarHBondContact OG1-N 2.92Å | ||
| 668 | N | 24.3 | Very low | 26.8 | Very low | 100 Ų | 100 | 89 Ų | 89 | 54% | 0.535 | 54% | 0.536 | S | S | . | . | trans | -114.3 | 174.9 | 175.6 | -76.6 | 12 | 0 | 0 | 0 | 112.8 | G900 S901 | N668-G900 VanDerWaalsContact OD1-CA 3.29Å; N668-G900 WeakPolarHBondContact OD1-CA 3.43Å; N668-S901 WeakPolarHBondContact CB-O 3.45Å; N668-S901 PolarHBondContact N-O 2.87Å; N668-S901 PolarHBondContact OD1-N 3.47Å | ||
| 669 | S | 25.6 | Very low | 26.7 | Very low | 107 Ų | 107 | 84.7 Ų | 84.7 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | trans | 59.5 | 119.1 | 168.6 | 41.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 670 | V | 24.5 | Very low | 26.7 | Very low | 88 Ų | 88 | 86.5 Ų | 86.5 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | cis | 94.7 | 93 | 25.8 | -176.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 671 | Q | 26.1 | Very low | 26.5 | Very low | 86 Ų | 86 | 83.2 Ų | 83.2 | 40% | 0.402 | 51% | 0.51 | S | S | . | . | trans | 65 | -177.9 | 135.5 | -81.1 | -176 | -106.8 | 0 | 0 | 119 | G312 | G312-Q671 PolarHBondContact O-NE2 3.47Š| ||
| 672 | P | 31.7 | Very low | 26.4 | Very low | 32 Ų | 32 | 84.5 Ų | 84.5 | 21% | 0.208 | 51% | 0.51 | C | S | . | . | -148 | 151.4 | -62 | 42.7 | -25.3 | 0 | 0 | 0 | 116.6 | M278 E279 H314 | M278-P672 CarbonylContact C-O 3.48Å; M278-P672 VanDerWaalsContact O-CD 3.29Å; M278-P672 WeakPolarHBondContact O-CD 3.41Å; E279-P672 VanDerWaalsContact C-CD 3.43Å; E279-P672 WeakPolarHBondContact CA-O 3.45Å; E279-P672 PolarHBondContact N-O 3.28Å; E279-P672 VanDerWaalsContact O-CD 3.24Å; E279-P672 WeakPolarHBondContact O-CD 3.35Å; E279-P672 WeakPolarHBondContact OE2-CA 3.25Å; H314-P672 WeakPolarHBondContact CE1-CD 3.18Å; H314-P672 WeakPolarHBondContact NE2-CD 3.48Å; H314-P672 VanDerWaalsContact NE2-CG 3.35Å; H314-P672 WeakPolarHBondContact NE2-CG 3.46Å | |||
| 673 | T | 26.9 | Very low | 26.4 | Very low | 46 Ų | 46 | 83.3 Ų | 83.3 | 28% | 0.282 | 51% | 0.506 | S | S | . | . | trans | -138.2 | 169.9 | 164.9 | 45.2 | 0 | 0 | 0 | 0 | 115.8 | Y245 M278 E279 | Y245-T673 HydrophobicContact CD2-CG2 4.01Å; Y245-T673 HydrophobicContact CE2-CG2 3.7Å; Y245-T673 VanDerWaalsContact CE2-OG1 3.24Å; Y245-T673 WeakPolarHBondContact CE2-OG1 3.04Å; Y245-T673 PolarHBondContact OH-OG1 3.45Å; M278-T673 HydrophobicContact CB-CG2 3.9Å; M278-T673 HydrophobicContact CE-CG2 3.6Å; M278-T673 HydrophobicContact CG-CG2 3.64Å; M278-T673 HydrophobicContact SD-CG2 3.93Å; E279-T673 HydrophobicContact CB-CG2 4.1Å; E279-T673 HydrophobicContact CG-CG2 3.36Å; E279-T673 VanDerWaalsContact OE1-CB 3.26Å; E279-T673 WeakPolarHBondContact OE1-CB 3.4Å; E279-T673 WeakPolarHBondContact OE1-CG2 3.46Å; E279-T673 PolarHBondContact OE1-N 3.27Å; E279-T673 PolarHBondContact OE1-OG1 3.32Å | ||
| 674 | T | 27.3 | Very low | 26.5 | Very low | 57 Ų | 57 | 85.6 Ų | 85.6 | 35% | 0.35 | 50% | 0.504 | S | S | . | . | trans | -158.3 | 128.8 | -153.4 | 41.3 | 0 | 0 | 0 | 0 | 112 | M278 | M278-T674 WeakPolarHBondContact CG-OG1 3.4Å; M278-T674 PolarHBondContact SD-OG1 2.79Å | ||
| 675 | H | 27.2 | Very low | 26.6 | Very low | 59 Ų | 59 | 85.7 Ų | 85.7 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -159.5 | 35.5 | 145.9 | -111.4 | -31.2 | 0 | 0 | 0 | 116.2 | E268 H270 E303 | E268-H675 WeakPolarHBondContact OE1-CB 3.33Å; E268-H675 IonicContact OE1-CG 3.14Å; E268-H675 IonicContact OE2-CD2 3.71Å; E268-H675 PolarHBondContact OE2-CD2 3.39Å; E268-H675 IonicContact OE2-CG 2.77Å; H270-H675 AromaticContact CD2-NE2 4Å; H270-H675 AromaticContact CE1-CD2 3.25Å; H270-H675 PolarHBondContact CE1-CD2 3.1Å; H270-H675 AromaticContact CE1-NE2 3.15Å; H270-H675 PolarHBondContact CE1-NE2 3.49Å; H270-H675 AromaticContact NE2-CD2 3.58Å; H270-H675 AromaticContact NE2-NE2 2.96Å; H270-H675 PolarHBondContact NE2-NE2 3.34Å; E303-H675 IonicContact OE2-CE1 2.78Å |
| 676 | I | 28.9 | Very low | 26.7 | Very low | 110 Ų | 110 | 88.5 Ų | 88.5 | 56% | 0.564 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -120.1 | -15.6 | -179.6 | -63.9 | 179.8 | 0 | 0 | 0 | 113.4 | D850 | I676-D850 WeakPolarHBondContact CD1-OD1 3.25Š|
| 677 | N | 27.9 | Very low | 26.8 | Very low | 123 Ų | 123 | 88.5 Ų | 88.5 | 66% | 0.658 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -88.9 | -29.1 | -171.5 | -67.2 | -35.4 | 0 | 0 | 0 | 115.2 | A679 L680 A681 | N677-A679 VanDerWaalsContact C-N 3.31Å; N677-A679 PolarHBondContact O-N 2.86Å; N677-L680 PolarHBondContact O-N 3.07Å; N677-A681 PolarHBondContact O-N 2.67Å |
| 678 | A | 28.2 | Very low | 26.8 | Very low | 42 Ų | 42 | 89.4 Ų | 89.4 | 35% | 0.347 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.3 | -34.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L680 A681 N682 | A678-L680 PolarHBondContact O-N 2.94Å; A678-A681 PolarHBondContact O-N 3.23Å; A678-N682 PolarHBondContact O-ND2 3.2Å |
| 679 | A | 27.1 | Very low | 26.9 | Very low | 90 Ų | 90 | 89.9 Ų | 89.9 | 74% | 0.744 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -70.3 | -14.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | N677 | N677-A679 VanDerWaalsContact C-N 3.31Å; N677-A679 PolarHBondContact O-N 2.86Å |
| 680 | L | 27.2 | Very low | 26.9 | Very low | 129 Ų | 129 | 86.2 Ų | 86.2 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -103 | -22.9 | 178.4 | -135.3 | 77.1 | 0 | 0 | 0 | 113.3 | N677 A678 | N677-L680 PolarHBondContact O-N 3.07Å; A678-L680 PolarHBondContact O-N 2.94Å |
| 681 | A | 27.2 | Very low | 27.1 | Very low | 48 Ų | 48 | 84.6 Ų | 84.6 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N677 A678 A683 Y684 | N677-A681 PolarHBondContact O-N 2.67Å; A678-A681 PolarHBondContact O-N 3.23Å; A681-A683 PolarHBondContact O-N 3.15Å; A681-Y684 PolarHBondContact O-N 3.3Å |
| 682 | N | 27.8 | Very low | 27.2 | Very low | 123 Ų | 123 | 83.6 Ų | 83.6 | 66% | 0.658 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 14.2 | -179.5 | -77.3 | -74.8 | 0 | 0 | 0 | 115.7 | E334 A678 | E334-N682 PolarHBondContact OE1-ND2 3.26Å; A678-N682 PolarHBondContact O-ND2 3.2Å |
| 683 | A | 25.7 | Very low | 27.1 | Very low | 72 Ų | 72 | 86.6 Ų | 86.6 | 60% | 0.595 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -6.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A681 | A681-A683 PolarHBondContact O-N 3.15Š|
| 684 | Y | 24.8 | Very low | 27.1 | Very low | 210 Ų | 210 | 88.9 Ų | 88.9 | 82% | 0.824 | 59% | 0.585 | S | S | * | * | trans | -124.6 | 65.4 | -167.9 | -89.1 | -83 | 0 | 0 | 0 | 115 | A681 | A681-Y684 PolarHBondContact O-N 3.3Š| ||
| 685 | A | 25.9 | Very low | 27.2 | Very low | 89 Ų | 89 | 93.9 Ų | 93.9 | 74% | 0.736 | 61% | 0.608 | S | S | * | * | trans | -110.6 | 134.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 686 | V | 27 | Very low | 27.2 | Very low | 143 Ų | 143 | 95.7 Ų | 95.7 | 87% | 0.867 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 72.8 | 124.6 | -176.6 | -167.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 687 | G | 27.1 | Very low | 27.3 | Very low | 47 Ų | 47 | 99.2 Ų | 99.2 | 49% | 0.485 | 64% | 0.637 | S | S | . | * | trans | -99.9 | -177.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 688 | W | 25.4 | Very low | 27.4 | Very low | 76 Ų | 76 | 102.2 Ų | 102.2 | 29% | 0.288 | 65% | 0.647 | S | S | . | * | cis | -149.4 | 169 | -6.3 | -56.9 | -81.5 | 0 | 0 | 0 | 112.9 | Q411 Y441 E444 N445 A690 | Q411-W688 HydrophobicContact CG-CZ2 3.89Å; Y441-W688 HydrophobicContact CD1-CZ2 4.4Å; Y441-W688 WeakPolarHBondContact O-CH2 3.35Å; E444-W688 HydrophobicContact CB-CH2 3.6Å; E444-W688 HydrophobicContact CB-CZ3 3.35Å; E444-W688 HydrophobicContact CG-CE3 4.45Å; E444-W688 HydrophobicContact CG-CH2 4.12Å; E444-W688 HydrophobicContact CG-CZ3 3.46Å; E444-W688 VanDerWaalsContact CG-CZ3 3.46Å; E444-W688 WeakPolarHBondContact O-CZ3 3.46Å; N445-W688 HydrophobicContact CB-CD2 4.18Å; N445-W688 HydrophobicContact CB-CE3 4.14Å; N445-W688 HydrophobicContact CB-CH2 3.64Å; N445-W688 HydrophobicContact CB-CZ2 3.7Å; N445-W688 HydrophobicContact CB-CZ3 3.86Å; N445-W688 VanDerWaalsContact CG-CE2 3.41Å; N445-W688 VanDerWaalsContact N-CZ3 3.34Å; N445-W688 PolarHBondContact ND2-NE1 2.92Å; N445-W688 VanDerWaalsContact OD1-CD2 3.24Å; W688-A690 VanDerWaalsContact C-N 3.31Å; W688-A690 PolarHBondContact O-N 3.34Å | ||
| 689 | A | 25.2 | Very low | 27.5 | Very low | 111 Ų | 111 | 109.2 Ų | 109.2 | 92% | 0.917 | 67% | 0.673 | S | S | * | * | trans | -81.4 | 61.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 690 | A | 26 | Very low | 27.5 | Very low | 29 Ų | 29 | 113.9 Ų | 113.9 | 24% | 0.24 | 68% | 0.679 | C | S | . | * | trans | -101.7 | 87.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | W688 | W688-A690 VanDerWaalsContact C-N 3.31Å; W688-A690 PolarHBondContact O-N 3.34Å | ||
| 691 | G | 29.4 | Very low | 27.5 | Very low | 55 Ų | 55 | 116.5 Ų | 116.5 | 57% | 0.567 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 178.2 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | A693 | G691-A693 VanDerWaalsContact C-N 3.29Å; G691-A693 PolarHBondContact O-N 3.03Å |
| 692 | A | 27.6 | Very low | 27.5 | Very low | 65 Ų | 65 | 122.6 Ų | 122.6 | 54% | 0.537 | 71% | 0.708 | S | S | . | * | G | 310 helix | trans | -66.4 | -26.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A694 | A692-A694 PolarHBondContact O-N 3.43Š|
| 693 | A | 28.7 | Very low | 27.6 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -67 | -16.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | G691 | G691-A693 VanDerWaalsContact C-N 3.29Å; G691-A693 PolarHBondContact O-N 3.03Å |
| 694 | A | 28.2 | Very low | 27.7 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 78% | 0.777 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -84.8 | -7.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A692 | A692-A694 PolarHBondContact O-N 3.43Š|
| 695 | L | 28.5 | Very low | 27.9 | Very low | 161 Ų | 161 | 124.2 Ų | 124.2 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -119.7 | -7 | -166.6 | -131.1 | 133.6 | 0 | 0 | 0 | 115.7 | ||
| 696 | V | 28.3 | Very low | 28 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 59% | 0.594 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -89.9 | -23.6 | -177.6 | -179.9 | 0 | 0 | 0 | 0 | 112.8 | Q698 | V696-Q698 PolarHBondContact O-N 2.76Š|
| 697 | H | 30.3 | Very low | 28.1 | Very low | 183 Ų | 183 | 125.7 Ų | 125.7 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 16.7 | -165.7 | -145.3 | -56.8 | 0 | 0 | 0 | 116 | ||
| 698 | Q | 30.2 | Very low | 28.3 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | 11.1 | -173.9 | -145.1 | -177.6 | 1.1 | 0 | 0 | 116.2 | V696 | V696-Q698 PolarHBondContact O-N 2.76Š|
| 699 | Q | 29.7 | Very low | 28.5 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -126 | 5.6 | -179.6 | -70.8 | -164.7 | -6 | 0 | 0 | 117.1 | ||
| 700 | Q | 27.1 | Very low | 28.8 | Very low | 188 Ų | 188 | 131.4 Ų | 131.4 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | trans | -118.3 | 46.7 | 179.8 | -74.4 | -172.1 | -19.5 | 0 | 0 | 114.7 | ||||
| 701 | Q | 26.7 | Very low | 29 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -136.8 | 63.6 | 167.8 | -72.8 | -162.7 | 0.3 | 0 | 0 | 113.7 | ||||
| 702 | Q | 27.5 | Very low | 29.1 | Very low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -162.6 | 133.3 | 156.4 | -113.2 | 158.1 | 53.7 | 0 | 0 | 110 | ||
| 703 | H | 30.2 | Very low | 29.3 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | trans | 63.3 | 130.7 | 178.4 | -70.9 | -75.5 | 0 | 0 | 0 | 116.1 | ||||
| 704 | T | 27.4 | Very low | 29.4 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 61% | 0.613 | 78% | 0.777 | S | S | * | * | cis | -157 | 150.7 | -6.8 | -61.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 705 | I | 29.6 | Very low | 29.4 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | -177.9 | 143.6 | 122.8 | -91.1 | 157.8 | 0 | 0 | 0 | 110.2 | |||||
| 706 | N | 28.2 | Very low | 29.7 | Very low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -100.6 | 169.5 | -177.9 | -75.4 | -66.4 | 0 | 0 | 0 | 112 | ||||
| 707 | S | 29.7 | Very low | 29.5 | Very low | 125 Ų | 125 | 142 Ų | 142 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 72.8 | 145.1 | 177.2 | 77.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 708 | A | 31.1 | Very low | 29.4 | Very low | 83 Ų | 83 | 139.6 Ų | 139.6 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | cis | -127.3 | 130.9 | 16.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 709 | I | 29.8 | Very low | 29.2 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | 85.7 | 103.5 | 105.1 | -68.5 | 176.3 | 0 | 0 | 0 | 115.4 | |||||
| 710 | T | 30.6 | Very low | 28.9 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 60.4 | 145.1 | 153 | 56.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 711 | S | 31.1 | Very low | 29.2 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | cis | -174.3 | 151.8 | -9.5 | 47.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 712 | S | 30.6 | Very low | 29.6 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 67.1 | 147.7 | 159.1 | 74.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 713 | V | 31.3 | Very low | 29.9 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | cis | -154.4 | 159.6 | -5.6 | -111.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 714 | D | 31 | Very low | 29.8 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 34.6 | 122.7 | 151.5 | -45 | -28.7 | 0 | 0 | 0 | 120.1 | ||||
| 715 | A | 28.8 | Very low | 30.1 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | cis | 75.8 | 155.6 | 43.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 716 | P | 34.1 | Very low | 30 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | -140.5 | -171.1 | -60.1 | 41.6 | -25.8 | 0 | 0 | 0 | 114.9 | |||||
| 717 | L | 24.8 | Very low | 30 | Very low | 162 Ų | 162 | 123.5 Ų | 123.5 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | 83.1 | 169.9 | 156.5 | -68.3 | 168.6 | 0 | 0 | 0 | 121.7 | ||||
| 718 | V | 28.5 | Very low | 30 | Very low | 132 Ų | 132 | 121.5 Ų | 121.5 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | 88.4 | 104.9 | -175.3 | -174.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 719 | M | 26.2 | Very low | 30.1 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 80% | 0.803 | 76% | 0.757 | S | S | * | * | 87.8 | 138.3 | 51.6 | -70.7 | -85.6 | 95.4 | 0 | 0 | 115.6 | |||||
| 720 | C | 23.4 | Very low | 30.1 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | -82.7 | -168 | -167 | -33.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 721 | P | 32.9 | Very low | 30.1 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | cis | -145.6 | -140.4 | 26.2 | 52.8 | -29.8 | 0 | 0 | 0 | 113.5 | ||||
| 722 | P | 35.9 | Very low | 29.9 | Very low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -121.8 | -174.2 | -149.3 | 33.6 | -8 | 0 | 0 | 0 | 116 | ||||
| 723 | V | 32.4 | Very low | 30 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -139.2 | 153.1 | 173.4 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 724 | S | 29.2 | Very low | 29.8 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | -148.2 | 149.5 | -178.5 | -45.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 725 | A | 32.4 | Very low | 30.1 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -153.5 | 119.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 726 | I | 28.2 | Very low | 30 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | cis | 83.3 | 109.6 | 45.6 | -58.2 | 167.5 | 0 | 0 | 0 | 113.2 | ||||
| 727 | L | 28.2 | Very low | 29.6 | Very low | 152 Ų | 152 | 128 Ų | 128 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | 164.8 | 99.7 | 136.7 | -87.8 | 170.6 | 0 | 0 | 0 | 108.1 | ||||
| 728 | S | 28.9 | Very low | 29.9 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 58% | 0.58 | 75% | 0.753 | S | S | * | * | 70.8 | 130.3 | 94.9 | 75.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 729 | H | 34.5 | Very low | 29.8 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | cis | -163.4 | 136 | 48.5 | -115.5 | -76.7 | 0 | 0 | 0 | 114.1 | ||||
| 730 | T | 28.8 | Very low | 29.7 | Very low | 97 Ų | 97 | 126 Ų | 126 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | trans | 37 | 145.9 | 134.8 | 55.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 731 | H | 31.1 | Very low | 29.7 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | cis | -170.6 | 156.3 | 7.4 | -115.1 | -43.6 | 0 | 0 | 0 | 112 | ||||
| 732 | T | 27.5 | Very low | 29.6 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | 62.1 | 149.3 | 151.9 | 50.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 733 | S | 31.5 | Very low | 29.2 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | cis | -159 | 167.6 | -3.5 | 38.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 734 | G | 27.8 | Very low | 28.9 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | trans | -93 | -168.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 735 | P | 37.7 | Very low | 28.9 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | -105.9 | -176.7 | -161.6 | 42.1 | -38.1 | 0 | 0 | 0 | 115.3 | ||||
| 736 | L | 25.5 | Very low | 28.9 | Very low | 150 Ų | 150 | 132 Ų | 132 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 165.9 | 144 | 140.9 | -89.7 | 157.6 | 0 | 0 | 0 | 113.8 | ||||
| 737 | H | 26.3 | Very low | 28.8 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | trans | 60.8 | 159.4 | 158.2 | -73.2 | 61.8 | 0 | 0 | 0 | 118.4 | ||||
| 738 | D | 31.1 | Very low | 28.8 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | cis | -122.4 | 159.5 | -4 | -76.6 | -62.7 | 0 | 0 | 0 | 109 | ||||
| 739 | Q | 25.5 | Very low | 28.8 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | cis | 75.3 | 130.2 | 49.3 | -109.5 | -166.3 | 55.9 | 0 | 0 | 117.8 | ||||
| 740 | I | 24.7 | Very low | 28.3 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 68% | 0.677 | 71% | 0.71 | S | S | * | * | trans | 88.9 | 118.1 | 149.4 | -71.8 | 173.9 | 0 | 0 | 0 | 122.2 | ||||
| 741 | L | 24.5 | Very low | 28.2 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | trans | 45.2 | 134.4 | 145.4 | -62.5 | 172.6 | 0 | 0 | 0 | 123.6 | ||||
| 742 | L | 29.4 | Very low | 28.1 | Very low | 151 Ų | 151 | 126 Ų | 126 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | 161.8 | 93.6 | 118.4 | -83.9 | 165 | 0 | 0 | 0 | 110.9 | |||||
| 743 | T | 27.1 | Very low | 28 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 61% | 0.607 | 68% | 0.684 | S | S | * | * | 72 | 113.1 | 96 | 60.4 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 744 | N | 27.1 | Very low | 27.6 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | 78.8 | 140.2 | 130 | -71.5 | 16.8 | 0 | 0 | 0 | 124.3 | |||||
| 745 | N | 28.7 | Very low | 27.3 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 70% | 0.695 | 69% | 0.685 | S | S | * | * | trans | 71.4 | 125.9 | 151.4 | -59 | -2.6 | 0 | 0 | 0 | 117.8 | ||||
| 746 | N | 32.2 | Very low | 26.6 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | -143.9 | 156.6 | 54.9 | -76.2 | -59.4 | 0 | 0 | 0 | 115.3 | |||||
| 747 | T | 26.8 | Very low | 26.6 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 73% | 0.73 | 68% | 0.682 | S | S | * | * | trans | -87.8 | 163.5 | 173.5 | 48 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 748 | F | 28.2 | Very low | 26.5 | Very low | 172 Ų | 172 | 124.4 Ų | 124.4 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | -166.7 | 149.2 | 120.8 | -113.2 | -78.6 | 0 | 0 | 0 | 113.3 | |||||
| 749 | E | 27.9 | Very low | 26.2 | Very low | 146 Ų | 146 | 125.3 Ų | 125.3 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | trans | -14.5 | 146.6 | 170.6 | -71.6 | 165.9 | 173.3 | 0 | 0 | 121 | ||||
| 750 | L | 24.9 | Very low | 26.4 | Very low | 58 Ų | 58 | 122 Ų | 122 | 30% | 0.304 | 71% | 0.705 | S | S | . | * | cis | 94.7 | 101.5 | 35.1 | 177.9 | 166.8 | 0 | 0 | 0 | 114.8 | H1247 G1248 L1249 | L750-H1247 HydrophobicContact CD2-CB 4.46Å; L750-G1248 VanDerWaalsContact CD2-N 3.25Å; L750-G1248 WeakPolarHBondContact CD2-O 3.38Å; L750-L1249 HydrophobicContact CB-CB 4.44Å; L750-L1249 HydrophobicContact CB-CD1 3.65Å; L750-L1249 HydrophobicContact CB-CG 3.68Å; L750-L1249 HydrophobicContact CD1-CB 4.32Å; L750-L1249 HydrophobicContact CD1-CD1 4.39Å; L750-L1249 HydrophobicContact CD1-CG 4.42Å; L750-L1249 HydrophobicContact CD2-CB 4.01Å; L750-L1249 HydrophobicContact CD2-CG 4.01Å; L750-L1249 HydrophobicContact CG-CB 4.48Å; L750-L1249 HydrophobicContact CG-CD1 4.47Å; L750-L1249 HydrophobicContact CG-CG 4.22Å | ||
| 751 | L | 26.1 | Very low | 26.5 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | trans | -173.6 | 139.8 | 140.7 | -101.3 | 161.8 | 0 | 0 | 0 | 109.9 | N1246 | L751-N1246 HydrophobicContact CD2-CB 4.43Š| ||
| 752 | P | 29.4 | Very low | 26.5 | Very low | 50 Ų | 50 | 119.4 Ų | 119.4 | 33% | 0.325 | 71% | 0.709 | S | S | . | * | trans | -102.5 | 173.7 | 178.5 | 41.2 | -37.8 | 0 | 0 | 0 | 112.9 | N1246 H1247 | P752-N1246 HydrophobicContact CG-CB 3.76Å; P752-N1246 PolarHBondContact O-ND2 2.91Å; P752-H1247 VanDerWaalsContact CG-C 3.47Å | ||
| 753 | G | 25.1 | Very low | 26.3 | Very low | 53 Ų | 53 | 117.9 Ų | 117.9 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | trans | 75.3 | 59.6 | 139.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | N1246 | G753-N1246 PolarHBondContact O-ND2 3.42Š| ||
| 754 | T | 24.4 | Very low | 26.4 | Very low | 137 Ų | 137 | 119.6 Ų | 119.6 | 84% | 0.84 | 72% | 0.717 | S | S | * | * | trans | -154.1 | 143.8 | 146.2 | 14 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 755 | S | 21.5 | Very low | 26.5 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -70.4 | 130 | 161.2 | 53.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 756 | L | 22.9 | Very low | 26.5 | Very low | 166 Ų | 166 | 119.8 Ų | 119.8 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | -167.5 | 152.8 | 128.2 | -128.5 | 73.6 | 0 | 0 | 0 | 111.9 | |||||
| 757 | S | 23.8 | Very low | 26.2 | Very low | 92 Ų | 92 | 117.4 Ų | 117.4 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | trans | -87.5 | 143.8 | 175 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 758 | T | 25.1 | Very low | 26.2 | Very low | 146 Ų | 146 | 119.1 Ų | 119.1 | 90% | 0.896 | 72% | 0.718 | S | S | * | * | trans | -136.2 | 119 | 153.7 | 38.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 759 | N | 25.2 | Very low | 25.9 | Very low | 149 Ų | 149 | 116.1 Ų | 116.1 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -59.5 | 147.1 | -175.8 | -53.1 | -45.4 | 0 | 0 | 0 | 115 | ||||
| 760 | G | 28.6 | Very low | 25.6 | Very low | 85 Ų | 85 | 112 Ų | 112 | 88% | 0.876 | 71% | 0.705 | S | S | * | * | trans | -125.1 | 107.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 761 | S | 26.7 | Very low | 25.5 | Very low | 102 Ų | 102 | 113.9 Ų | 113.9 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | trans | -113.6 | 137.8 | -156.2 | 59.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 762 | C | 24.6 | Very low | 25.3 | Very low | 118 Ų | 118 | 113.8 Ų | 113.8 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | trans | -143.7 | 100.3 | 144.3 | -97.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 763 | T | 26.3 | Very low | 24.9 | Very low | 119 Ų | 119 | 115 Ų | 115 | 73% | 0.73 | 73% | 0.726 | S | S | * | * | 63.1 | 113.7 | 97.4 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 764 | T | 28.8 | Very low | 24.9 | Very low | 136 Ų | 136 | 120.1 Ų | 120.1 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | cis | -143.8 | 138.3 | 16.3 | 50 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 765 | L | 28.6 | Very low | 24.8 | Very low | 166 Ų | 166 | 120.1 Ų | 120.1 | 87% | 0.869 | 73% | 0.73 | S | S | * | * | trans | -109.3 | -175.6 | 164.4 | -96.9 | 156.8 | 0 | 0 | 0 | 107.8 | ||||
| 766 | P | 29.4 | Very low | 25.1 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | cis | -126.9 | -148.1 | 17 | 30.9 | -3.6 | 0 | 0 | 0 | 111.8 | ||||
| 767 | T | 25.3 | Very low | 25.3 | Very low | 109 Ų | 109 | 118.5 Ų | 118.5 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | cis | -165.8 | 164.1 | 20.5 | -19.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 768 | N | 27.2 | Very low | 25.4 | Very low | 154 Ų | 154 | 120.4 Ų | 120.4 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | trans | 80.5 | 136.6 | 156.7 | -68.6 | -9.1 | 0 | 0 | 0 | 120.4 | ||||
| 769 | C | 21.6 | Very low | 25.3 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | trans | -108.7 | 161.5 | -178.4 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 770 | S | 21.7 | Very low | 25.4 | Very low | 60 Ų | 60 | 121.7 Ų | 121.7 | 42% | 0.42 | 71% | 0.714 | S | S | . | * | trans | 72.8 | 122.4 | 143.1 | -69 | 0 | 0 | 0 | 0 | 121.2 | F1012 S1013 | S770-F1012 WeakPolarHBondContact O-CD1 3.46Å; S770-F1012 WeakPolarHBondContact O-CE1 3.47Å; S770-S1013 CarbonylContact C-O 3.49Å; S770-S1013 WeakPolarHBondContact CA-O 3.4Å; S770-S1013 WeakPolarHBondContact CB-O 3.4Å; S770-S1013 PolarHBondContact OG-O 2.85Å; S770-S1013 VanDerWaalsContact OG-O 3.11Å | ||
| 771 | I | 23 | Very low | 25.1 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 49% | 0.492 | 70% | 0.702 | S | S | . | * | -169.8 | 154 | 124.3 | -88.2 | -100.8 | 0 | 0 | 0 | 109.9 | N1011 F1012 S1013 | I771-N1011 HydrophobicContact CD1-CB 4.4Å; I771-F1012 HydrophobicContact CD1-CD1 4.04Å; I771-F1012 HydrophobicContact CD1-CE1 4.38Å; I771-F1012 HydrophobicContact CD1-CG 4.44Å; I771-F1012 HydrophobicContact CG1-CD1 3.58Å; I771-F1012 HydrophobicContact CG1-CE1 3.82Å; I771-F1012 HydrophobicContact CG1-CG 4.42Å; I771-S1013 CarbonylContact C-O 3.52Å; I771-S1013 WeakPolarHBondContact CA-O 3.37Å; I771-S1013 PolarHBondContact N-O 3.33Å | |||
| 772 | M | 21.3 | Very low | 24.9 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 64% | 0.635 | 71% | 0.714 | S | S | * | * | trans | -72.5 | 150.4 | 178.2 | -105.6 | 157 | -176.8 | 0 | 0 | 114.3 | S1013 | M772-S1013 WeakPolarHBondContact CB-OG 3.49Å; M772-S1013 PolarHBondContact N-OG 3.34Å; M772-S1013 VanDerWaalsContact SD-CB 3.51Å | ||
| 773 | A | 22.8 | Very low | 24.8 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 62% | 0.62 | 70% | 0.701 | S | S | * | * | trans | 67.1 | 151.4 | 148 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 774 | H | 23.7 | Very low | 24.6 | Very low | 161 Ų | 161 | 123.2 Ų | 123.2 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | trans | 66 | 125.1 | 160.4 | -83.6 | -66.8 | 0 | 0 | 0 | 121.8 | ||||
| 775 | N | 23.5 | Very low | 24.3 | Very low | 137 Ų | 137 | 122.2 Ų | 122.2 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | trans | 76.6 | 119 | 139.2 | -58.6 | -6.8 | 0 | 0 | 0 | 119.8 | ||||
| 776 | A | 27.5 | Very low | 24.2 | Very low | 77 Ų | 77 | 119.7 Ų | 119.7 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | 23.1 | 135.4 | 121.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 777 | H | 26.2 | Very low | 24.1 | Very low | 161 Ų | 161 | 117.9 Ų | 117.9 | 75% | 0.745 | 68% | 0.679 | S | S | * | * | -169.4 | 149.3 | 58.9 | -102.9 | -68.2 | 0 | 0 | 0 | 113.1 | |||||
| 778 | L | 26.7 | Very low | 24.1 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | trans | 64.8 | 158.7 | 141.3 | -64.6 | 167.1 | 0 | 0 | 0 | 117.7 | ||||
| 779 | N | 23.5 | Very low | 24.1 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | cis | -134.8 | 146.9 | 16.4 | -69.8 | -97 | 0 | 0 | 0 | 112.9 | Q781 | N779-Q781 HydrophobicContact CB-CG 3.85Š| ||
| 780 | F | 25.6 | Very low | 24.4 | Very low | 212 Ų | 212 | 117.4 Ų | 117.4 | 93% | 0.93 | 68% | 0.682 | S | S | * | * | trans | -118 | 129.6 | 130.9 | -126.4 | -87.7 | 0 | 0 | 0 | 107.1 | ||||
| 781 | Q | 24 | Very low | 24.7 | Very low | 135 Ų | 135 | 119 Ų | 119 | 63% | 0.631 | 69% | 0.694 | S | S | * | * | trans | -102.3 | 126.2 | -167.4 | -61.2 | 173.6 | -85 | 0 | 0 | 111.8 | N779 A783 | N779-Q781 HydrophobicContact CB-CG 3.85Å; Q781-A783 PolarHBondContact O-N 2.83Å | ||
| 782 | T | 21.8 | Very low | 24.9 | Very low | 157 Ų | 157 | 120.1 Ų | 120.1 | 96% | 0.963 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -77.2 | 57.3 | 155 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 783 | A | 21.9 | Very low | 25.2 | Very low | 65 Ų | 65 | 120.2 Ų | 120.2 | 54% | 0.537 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -174.5 | 136.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q781 | Q781-A783 PolarHBondContact O-N 2.83Š|
| 784 | S | 22.1 | Very low | 25.4 | Very low | 98 Ų | 98 | 120 Ų | 120 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | 55.6 | 96.1 | 149.7 | -158.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 785 | V | 23.7 | Very low | 25.6 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | 30.1 | 123.7 | 102 | -175.1 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 786 | T | 25.6 | Very low | 25.7 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | 63.2 | 147 | 161.1 | 58.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 787 | A | 27.8 | Very low | 25.6 | Very low | 70 Ų | 70 | 121.1 Ų | 121.1 | 58% | 0.579 | 73% | 0.73 | S | S | * | * | cis | -165.1 | 153.2 | -19.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 788 | A | 24 | Very low | 25.5 | Very low | 93 Ų | 93 | 119 Ų | 119 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -113.6 | 119.6 | 145.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||
| 789 | V | 28.4 | Very low | 25.4 | Very low | 135 Ų | 135 | 120.5 Ų | 120.5 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 40.6 | 93.1 | 177.7 | -77.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 790 | D | 28 | Very low | 25.4 | Very low | 134 Ų | 134 | 121.3 Ų | 121.3 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | S | Bend | cis | -130.1 | 142.5 | 33.2 | -77.6 | -38.1 | 0 | 0 | 0 | 117.1 | ||
| 791 | S | 27.6 | Very low | 25.3 | Very low | 95 Ų | 95 | 116.9 Ų | 116.9 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | trans | 65.5 | 91.5 | 153.8 | 53.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 792 | V | 26.5 | Very low | 25.2 | Very low | 119 Ų | 119 | 117.4 Ų | 117.4 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | 67.7 | 102.3 | 106.4 | 172.6 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 793 | T | 28.4 | Very low | 25.3 | Very low | 131 Ų | 131 | 115 Ų | 115 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | 60.8 | 154.3 | 143 | 63.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 794 | G | 27.6 | Very low | 25.5 | Very low | 69 Ų | 69 | 120.5 Ų | 120.5 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | cis | 151.4 | 162.3 | -7.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 795 | I | 26.5 | Very low | 25.8 | Very low | 156 Ų | 156 | 120 Ų | 120 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | trans | 82.4 | 88.3 | 156.5 | -50.8 | 177.4 | 0 | 0 | 0 | 120.1 | ||||
| 796 | T | 26 | Very low | 26 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | 45.3 | 125.2 | 131 | 69.2 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 797 | S | 26.1 | Very low | 26.2 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | 84.4 | 164.9 | 126.7 | -157.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 798 | V | 24.4 | Very low | 26.4 | Very low | 117 Ų | 117 | 123 Ų | 123 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | 86.4 | 85.4 | 163.5 | -167.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 799 | Q | 23.8 | Very low | 26.9 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | 68.7 | 97 | 113.8 | -161.2 | 175.4 | -7.5 | 0 | 0 | 122.5 | |||||
| 800 | T | 23.4 | Very low | 27.1 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | 75 | 166.5 | 136.2 | -42.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 801 | V | 23.3 | Very low | 27.3 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | trans | 94.1 | 98 | 160.6 | -173.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 802 | L | 22.2 | Very low | 27.5 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | 66.5 | 114.4 | 135.5 | -96.7 | 66.6 | 0 | 0 | 0 | 123.9 | ||||
| 803 | T | 23.8 | Very low | 27.7 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | 56.9 | 125.9 | 121.4 | 58.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 804 | Q | 26.9 | Very low | 28.1 | Very low | 180 Ų | 180 | 119.5 Ų | 119.5 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | 88.7 | 146.4 | 127 | -79.3 | 179.5 | -0.7 | 0 | 0 | 122.5 | |||||
| 805 | A | 27.9 | Very low | 28.3 | Very low | 87 Ų | 87 | 121.6 Ų | 121.6 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | 74.3 | 145.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 806 | T | 27.8 | Very low | 28.6 | Very low | 131 Ų | 131 | 119 Ų | 119 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | cis | -168.4 | 170.1 | -10.2 | 22.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 807 | L | 30 | Very low | 28.7 | Very low | 164 Ų | 164 | 117.9 Ų | 117.9 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | cis | -159.6 | 149.8 | 7 | -135.7 | 173.4 | 0 | 0 | 0 | 110 | ||||
| 808 | G | 31.7 | Very low | 28.7 | Very low | 67 Ų | 67 | 118.3 Ų | 118.3 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | 107.6 | 143 | 139.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 809 | A | 34.8 | Very low | 28.8 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | cis | -158.7 | 142 | -5.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 810 | S | 31.6 | Very low | 29 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 47.7 | 132.5 | 143.9 | 59.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 811 | G | 32.8 | Very low | 29.2 | Very low | 63 Ų | 63 | 115.9 Ų | 115.9 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | cis | 153.1 | 174.7 | -8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 812 | T | 32.3 | Very low | 29.3 | Very low | 158 Ų | 158 | 118 Ų | 118 | 97% | 0.969 | 77% | 0.767 | S | S | * | * | trans | 64.8 | 137 | 172.1 | 63.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 813 | G | 30.6 | Very low | 29.4 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | cis | -162.6 | 173.6 | 1.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 814 | P | 37.1 | Very low | 29.5 | Very low | 129 Ų | 129 | 111.1 Ų | 111.1 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | -124.8 | 167.4 | -149.7 | 41.9 | -31.1 | 0 | 0 | 0 | 117.8 | ||||
| 815 | S | 31.3 | Very low | 29.4 | Very low | 113 Ų | 113 | 108.3 Ų | 108.3 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | -156.8 | 152.3 | 148.8 | 16.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 816 | S | 32 | Very low | 29.4 | Very low | 102 Ų | 102 | 108.9 Ų | 108.9 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | 17.5 | 116.8 | 169 | 48.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 817 | S | 28.9 | Very low | 29.2 | Very low | 103 Ų | 103 | 105.4 Ų | 105.4 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | 76.1 | 130.9 | 50.6 | 79.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 818 | T | 26.6 | Very low | 29 | Very low | 125 Ų | 125 | 101 Ų | 101 | 77% | 0.767 | 72% | 0.718 | S | S | * | * | cis | 176.6 | 138.1 | -15.5 | 24.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 819 | T | 27.3 | Very low | 28.8 | Very low | 122 Ų | 122 | 101.9 Ų | 101.9 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | 169.4 | 132.6 | 120 | 38.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 820 | N | 27 | Very low | 28.5 | Very low | 140 Ų | 140 | 102.2 Ų | 102.2 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | 65.2 | 105.3 | 134.1 | -58.9 | 1.2 | 0 | 0 | 0 | 123.6 | ||||
| 821 | S | 26.7 | Very low | 28.1 | Very low | 95 Ų | 95 | 102.7 Ų | 102.7 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | 96.2 | 120 | 104.9 | -65.8 | 0 | 0 | 0 | 0 | 123 | |||||
| 822 | I | 25.4 | Very low | 27.7 | Very low | 163 Ų | 163 | 104 Ų | 104 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | trans | 75.3 | 157.2 | 143.1 | -58 | 163.3 | 0 | 0 | 0 | 115.5 | ||||
| 823 | G | 25.8 | Very low | 27.4 | Very low | 57 Ų | 57 | 100.5 Ų | 100.5 | 59% | 0.588 | 69% | 0.689 | S | S | * | * | trans | -169 | 175.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 824 | S | 25.8 | Very low | 27.2 | Very low | 50 Ų | 50 | 100.6 Ų | 100.6 | 35% | 0.35 | 69% | 0.69 | S | S | . | * | trans | -160.8 | 129.5 | 174.2 | -72.4 | 0 | 0 | 0 | 0 | 116 | D1094 | S824-D1094 WeakPolarHBondContact CB-OD2 3.29Å; S824-D1094 PolarHBondContact OG-OD2 3.21Å | ||
| 825 | I | 25 | Very low | 26.6 | Very low | 122 Ų | 122 | 100.1 Ų | 100.1 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | 58.1 | 135.3 | 129.2 | -42.8 | 163.8 | 0 | 0 | 0 | 121.1 | N1091 | I825-N1091 VanDerWaalsContact CG2-ND2 3.27Å; I825-N1091 WeakPolarHBondContact CG2-ND2 3.43Å | |||
| 826 | S | 26.6 | Very low | 26.4 | Very low | 98 Ų | 98 | 99.9 Ų | 99.9 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | trans | -60.4 | 156 | 177.2 | 57.2 | 0 | 0 | 0 | 0 | 119.5 | N1091 | S826-N1091 PolarHBondContact O-ND2 3.43Š| ||
| 827 | G | 24.9 | Very low | 26 | Very low | 59 Ų | 59 | 99.2 Ų | 99.2 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | 112.1 | 101 | 108.1 | 0 | 0 | 0 | 0 | 0 | 122 | Y1088 | G827-Y1088 WeakPolarHBondContact O-CE2 3.47Š| |||
| 828 | G | 25 | Very low | 25.8 | Very low | 72 Ų | 72 | 99.5 Ų | 99.5 | 74% | 0.742 | 69% | 0.691 | S | S | * | * | 82.3 | 102.4 | 128 | 0 | 0 | 0 | 0 | 0 | 122.9 | Y1088 | G828-Y1088 PolarHBondContact O-OH 2.97Å; G828-Y1088 VanDerWaalsContact O-OH 3.1Å | |||
| 829 | S | 27.5 | Very low | 25.7 | Very low | 84 Ų | 84 | 98.5 Ų | 98.5 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | trans | -160.1 | 123.3 | 158.7 | 56.2 | 0 | 0 | 0 | 0 | 109.6 | Y1088 | S829-Y1088 WeakPolarHBondContact CB-OH 3.29Å; S829-Y1088 PolarHBondContact N-OH 3.39Å; S829-Y1088 PolarHBondContact OG-OH 3.46Å | ||
| 830 | S | 27.3 | Very low | 25.5 | Very low | 99 Ų | 99 | 100.7 Ų | 100.7 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | 90.3 | 85.5 | 50.2 | 80.4 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 831 | T | 23.7 | Very low | 25.4 | Very low | 131 Ų | 131 | 96.7 Ų | 96.7 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | 45.5 | 119.2 | 137.8 | 60.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 832 | S | 25.6 | Very low | 25.3 | Very low | 92 Ų | 92 | 94.7 Ų | 94.7 | 64% | 0.643 | 66% | 0.662 | S | S | * | * | 141.5 | 130.2 | 107.8 | 63.9 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 833 | S | 25.7 | Very low | 25.3 | Very low | 84 Ų | 84 | 87.6 Ų | 87.6 | 59% | 0.587 | 63% | 0.629 | S | S | * | * | trans | 52.6 | 129.1 | 149 | 62 | 0 | 0 | 0 | 0 | 121.1 | Y1118 | S833-Y1118 PolarHBondContact OG-OH 3.1Š| ||
| 834 | G | 25.3 | Very low | 25.3 | Very low | 72 Ų | 72 | 87.9 Ų | 87.9 | 74% | 0.742 | 62% | 0.622 | S | S | * | * | trans | 166.4 | 29.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 835 | S | 24.6 | Very low | 25.3 | Very low | 120 Ų | 120 | 88.2 Ų | 88.2 | 84% | 0.839 | 62% | 0.624 | S | S | * | * | trans | 40.8 | 98.3 | 152.9 | -48.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 836 | S | 27.2 | Very low | 25.3 | Very low | 107 Ų | 107 | 88.9 Ų | 88.9 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | trans | -167.8 | 121.2 | 141.8 | -75.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 837 | A | 24.5 | Very low | 25.3 | Very low | 88 Ų | 88 | 90 Ų | 90 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | cis | 78.6 | 131.3 | 38.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 838 | S | 24.8 | Very low | 25.5 | Very low | 110 Ų | 110 | 90.1 Ų | 90.1 | 77% | 0.769 | 61% | 0.612 | S | S | * | * | trans | 78.1 | 109.1 | -172 | -27.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 839 | S | 24.2 | Very low | 25.7 | Very low | 104 Ų | 104 | 91.3 Ų | 91.3 | 73% | 0.727 | 61% | 0.605 | S | S | * | * | 60.8 | 135.2 | 86 | 79.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 840 | M | 23.5 | Very low | 25.9 | Very low | 167 Ų | 167 | 91.8 Ų | 91.8 | 82% | 0.823 | 60% | 0.602 | S | S | * | * | cis | -146.2 | 120.3 | 38.4 | -65.3 | 159.8 | 49.1 | 0 | 0 | 113.1 | ||||
| 841 | V | 23.4 | Very low | 26.1 | Very low | 57 Ų | 57 | 93.8 Ų | 93.8 | 35% | 0.345 | 60% | 0.604 | S | S | . | * | trans | -124.6 | 138.7 | 138.9 | 152.1 | 0 | 0 | 0 | 0 | 108.9 | D200 T201 E234 | D200-V841 VanDerWaalsContact O-CA 3.25Å; D200-V841 WeakPolarHBondContact O-CA 3.32Å; D200-V841 WeakPolarHBondContact O-CB 3.4Å; D200-V841 WeakPolarHBondContact O-CG1 3.42Å; D200-V841 VanDerWaalsContact O-CG2 3.26Å; D200-V841 WeakPolarHBondContact O-CG2 3.35Å; T201-V841 HydrophobicContact CG2-CG1 3.94Å; E234-V841 HydrophobicContact CB-CG2 3.59Å; E234-V841 HydrophobicContact CG-CG2 3.89Å; E234-V841 WeakPolarHBondContact OE1-CB 3.45Å; E234-V841 WeakPolarHBondContact OE1-CG2 3.44Å; E234-V841 VanDerWaalsContact OE2-CB 3.26Å; E234-V841 WeakPolarHBondContact OE2-CB 3.42Å; E234-V841 WeakPolarHBondContact OE2-CG1 3.34Å; E234-V841 WeakPolarHBondContact OE2-CG2 3.49Å | ||
| 842 | A | 25.3 | Very low | 26.5 | Very low | 52 Ų | 52 | 91.8 Ų | 91.8 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | trans | -130.5 | -173.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | D200 T201 | D200-A842 CarbonylContact C-O 3.29Å; D200-A842 HydrophobicContact CB-CB 3.77Å; D200-A842 WeakPolarHBondContact CB-O 3.28Å; D200-A842 PolarHBondContact O-N 3.1Å; T201-A842 WeakPolarHBondContact CG2-O 3.48Å; T201-A842 PolarHBondContact N-O 3.37Å; T201-A842 VanDerWaalsContact N-O 3.16Å | ||
| 843 | G | 25.2 | Very low | 26.8 | Very low | 14 Ų | 14 | 91 Ų | 91 | 14% | 0.144 | 58% | 0.579 | C | S | . | * | S | Bend | trans | 77.3 | 39.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||
| 844 | S | 25.5 | Very low | 27.3 | Very low | 63 Ų | 63 | 89.6 Ų | 89.6 | 44% | 0.441 | 57% | 0.572 | S | S | . | * | trans | 67.1 | 102.8 | 131.7 | 66.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 845 | S | 27.1 | Very low | 27.7 | Very low | 57 Ų | 57 | 87.9 Ų | 87.9 | 40% | 0.399 | 56% | 0.555 | S | S | . | * | trans | -151.2 | 37.2 | 136.3 | 44.6 | 0 | 0 | 0 | 0 | 115.9 | E208 | E208-S845 PolarHBondContact OE1-OG 2.75Å; E208-S845 VanDerWaalsContact OE1-OG 3.14Å | ||
| 846 | I | 25.5 | Very low | 28.1 | Very low | 137 Ų | 137 | 85.8 Ų | 85.8 | 70% | 0.703 | 53% | 0.534 | S | S | * | . | trans | 59.9 | 96.7 | 157.8 | -45.3 | 171.8 | 0 | 0 | 0 | 116.5 | L848 | I846-L848 HydrophobicContact CG2-CD1 4.11Å; I846-L848 HydrophobicContact CG2-CG 4.24Å | ||
| 847 | D | 26.8 | Very low | 28.6 | Very low | 121 Ų | 121 | 84.4 Ų | 84.4 | 65% | 0.647 | 52% | 0.518 | S | S | * | . | trans | -126.2 | 155.2 | 150.2 | -116.5 | -50.8 | 0 | 0 | 0 | 110 | K246 | K246-D847 IonicContact NZ-OD2 3.02Å; K246-D847 PolarHBondContact NZ-OD2 2.94Å | ||
| 848 | L | 27.3 | Very low | 29.5 | Very low | 61 Ų | 61 | 82.9 Ų | 82.9 | 32% | 0.319 | 51% | 0.505 | S | S | . | . | trans | -132.8 | 53.2 | -154.4 | -87.2 | 168.7 | 0 | 0 | 0 | 115.2 | I846 A910 N914 | I846-L848 HydrophobicContact CG2-CD1 4.11Å; I846-L848 HydrophobicContact CG2-CG 4.24Å; L848-A910 HydrophobicContact CD1-CB 4.07Å; L848-N914 WeakPolarHBondContact CD1-ND2 3.28Å | ||
| 849 | T | 29.9 | Very low | 30 | Very low | 97 Ų | 97 | 81.2 Ų | 81.2 | 60% | 0.595 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -125.3 | -58.3 | 176.7 | 35.7 | 0 | 0 | 0 | 0 | 113.7 | F852 | T849-F852 WeakPolarHBondContact O-CB 3.15Š|
| 850 | D | 31.4 | Very low | 30.7 | Very low | 95 Ų | 95 | 80.3 Ų | 80.3 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -29.9 | -154.9 | -58.4 | -77.4 | 0 | 0 | 0 | 114.7 | I676 F852 S853 | I676-D850 WeakPolarHBondContact CD1-OD1 3.25Å; D850-F852 PolarHBondContact O-N 3Å; D850-F852 VanDerWaalsContact O-N 3.16Å; D850-S853 PolarHBondContact O-N 2.68Å; D850-S853 PolarHBondContact O-OG 3.13Å |
| 851 | D | 32.9 | Very low | 31.8 | Very low | 140 Ų | 140 | 77.6 Ų | 77.6 | 75% | 0.749 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.9 | -15.7 | 174.2 | -125.3 | -10.7 | 0 | 0 | 0 | 112.9 | S853 G855 | D851-S853 VanDerWaalsContact C-N 3.29Å; D851-S853 PolarHBondContact O-N 2.67Å; D851-G855 PolarHBondContact O-N 3.34Å |
| 852 | F | 31.2 | Very low | 32.8 | Very low | 90 Ų | 90 | 82.7 Ų | 82.7 | 40% | 0.395 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.9 | -33.5 | -177.2 | -144.6 | -77.1 | 0 | 0 | 0 | 112.4 | T849 D850 L856 V917 | T849-F852 WeakPolarHBondContact O-CB 3.15Å; D850-F852 PolarHBondContact O-N 3Å; D850-F852 VanDerWaalsContact O-N 3.16Å; F852-L856 HydrophobicContact CD1-CD1 3.96Å; F852-L856 HydrophobicContact CE1-CD1 3.76Å; F852-L856 WeakPolarHBondContact O-CB 3.44Å; F852-L856 PolarHBondContact O-N 2.91Å; F852-L856 VanDerWaalsContact O-N 3.15Å; F852-V917 HydrophobicContact CE2-CG2 3.47Å; F852-V917 VanDerWaalsContact CE2-CG2 3.47Å; F852-V917 HydrophobicContact CZ-CG2 3.84Å |
| 853 | S | 31.5 | Very low | 33.6 | Very low | 76 Ų | 76 | 84.7 Ų | 84.7 | 53% | 0.531 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73 | -49.5 | 179.8 | 64.2 | 0 | 0 | 0 | 0 | 111.6 | D850 D851 L857 | D850-S853 PolarHBondContact O-N 2.68Å; D850-S853 PolarHBondContact O-OG 3.13Å; D851-S853 VanDerWaalsContact C-N 3.29Å; D851-S853 PolarHBondContact O-N 2.67Å; S853-L857 WeakPolarHBondContact O-CB 3.43Å; S853-L857 PolarHBondContact O-N 3.23Å |
| 854 | A | 35.5 | Very low | 34.4 | Very low | 53 Ų | 53 | 88 Ų | 88 | 44% | 0.438 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L857 A858 | A854-L857 PolarHBondContact O-N 3.23Å; A854-A858 PolarHBondContact O-N 2.95Å |
| 855 | G | 34 | Very low | 35.2 | Very low | 36 Ų | 36 | 89.6 Ų | 89.6 | 37% | 0.371 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D851 A858 L859 | D851-G855 PolarHBondContact O-N 3.34Å; G855-A858 PolarHBondContact O-N 3.39Å; G855-L859 PolarHBondContact O-N 2.79Å; G855-L859 VanDerWaalsContact O-N 3.08Å |
| 856 | L | 33.3 | Very low | 35.7 | Very low | 76 Ų | 76 | 93.9 Ų | 93.9 | 40% | 0.398 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 173.2 | -110.3 | 76.1 | 0 | 0 | 0 | 112 | F852 A858 L859 F860 F878 | F852-L856 HydrophobicContact CD1-CD1 3.96Å; F852-L856 HydrophobicContact CE1-CD1 3.76Å; F852-L856 WeakPolarHBondContact O-CB 3.44Å; F852-L856 PolarHBondContact O-N 2.91Å; F852-L856 VanDerWaalsContact O-N 3.15Å; L856-A858 VanDerWaalsContact C-N 3.31Å; L856-A858 PolarHBondContact O-N 3.07Å; L856-L859 PolarHBondContact O-N 3.01Å; L856-F860 WeakPolarHBondContact O-CB 3.49Å; L856-F860 PolarHBondContact O-N 3.47Å; L856-F878 HydrophobicContact CD2-CZ 3.96Å |
| 857 | L | 37.7 | Very low | 36.1 | Very low | 79 Ų | 79 | 92.8 Ų | 92.8 | 41% | 0.414 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 177.5 | -102.3 | 159.7 | 0 | 0 | 0 | 112.7 | S853 A854 Q861 | S853-L857 WeakPolarHBondContact O-CB 3.43Å; S853-L857 PolarHBondContact O-N 3.23Å; A854-L857 PolarHBondContact O-N 3.23Å; L857-Q861 WeakPolarHBondContact O-CB 3.34Å; L857-Q861 VanDerWaalsContact O-CG 3.23Å; L857-Q861 WeakPolarHBondContact O-CG 3.36Å; L857-Q861 PolarHBondContact O-N 2.96Å; L857-Q861 VanDerWaalsContact O-N 3.12Å; L857-Q861 PolarHBondContact O-NE2 3Å; L857-Q861 VanDerWaalsContact O-NE2 3.11Å |
| 858 | A | 42.5 | Very low | 36.6 | Very low | 56 Ų | 56 | 96.3 Ų | 96.3 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -49.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A854 G855 L856 F860 Q861 E862 | A854-A858 PolarHBondContact O-N 2.95Å; G855-A858 PolarHBondContact O-N 3.39Å; L856-A858 VanDerWaalsContact C-N 3.31Å; L856-A858 PolarHBondContact O-N 3.07Å; A858-F860 VanDerWaalsContact C-N 3.29Å; A858-F860 PolarHBondContact O-N 2.72Å; A858-Q861 PolarHBondContact O-N 3.29Å; A858-Q861 VanDerWaalsContact O-N 3.13Å; A858-E862 PolarHBondContact O-N 3.19Å |
| 859 | L | 35.4 | Very low | 36.9 | Very low | 75 Ų | 75 | 97.3 Ų | 97.3 | 39% | 0.393 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 176.4 | -122.3 | 81.3 | 0 | 0 | 0 | 112.2 | G855 L856 Q861 E862 L863 I924 | G855-L859 PolarHBondContact O-N 2.79Å; G855-L859 VanDerWaalsContact O-N 3.08Å; L856-L859 PolarHBondContact O-N 3.01Å; L859-Q861 VanDerWaalsContact C-N 3.31Å; L859-Q861 PolarHBondContact O-N 3.37Å; L859-E862 PolarHBondContact O-N 3.46Å; L859-L863 HydrophobicContact CD2-CD1 4.34Å; L859-L863 HydrophobicContact CG-CD1 4.42Å; L859-L863 VanDerWaalsContact O-CB 3.26Å; L859-L863 WeakPolarHBondContact O-CB 3.27Å; L859-L863 WeakPolarHBondContact O-CD1 3.17Å; L859-L863 WeakPolarHBondContact O-CG 3.09Å; L859-L863 PolarHBondContact O-N 2.92Å; L859-I924 HydrophobicContact CD2-CD1 4.16Å |
| 860 | F | 39.2 | Very low | 37.6 | Very low | 84 Ų | 84 | 98 Ų | 98 | 37% | 0.368 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.7 | -32.2 | 179.2 | -144 | -93.6 | 0 | 0 | 0 | 112 | L856 A858 M864 L874 | L856-F860 WeakPolarHBondContact O-CB 3.49Å; L856-F860 PolarHBondContact O-N 3.47Å; A858-F860 VanDerWaalsContact C-N 3.29Å; A858-F860 PolarHBondContact O-N 2.72Å; F860-M864 HydrophobicContact CD1-CE 3.94Å; F860-M864 HydrophobicContact CE1-CE 3.21Å; F860-M864 HydrophobicContact CE2-CE 4.37Å; F860-M864 HydrophobicContact CZ-CE 3.47Å; F860-M864 VanDerWaalsContact CZ-CE 3.47Å; F860-M864 PolarHBondContact O-N 2.86Å; F860-L874 HydrophobicContact CD1-CD2 4.39Å; F860-L874 HydrophobicContact CE1-CD2 3.85Å |
| 861 | Q | 46.4 | Very low | 37.9 | Very low | 111 Ų | 111 | 99.7 Ų | 99.7 | 52% | 0.519 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.5 | -31.5 | 175.7 | -74.5 | 169.9 | 60.1 | 0 | 0 | 112.7 | L857 A858 L859 | L857-Q861 WeakPolarHBondContact O-CB 3.34Å; L857-Q861 VanDerWaalsContact O-CG 3.23Å; L857-Q861 WeakPolarHBondContact O-CG 3.36Å; L857-Q861 PolarHBondContact O-N 2.96Å; L857-Q861 VanDerWaalsContact O-N 3.12Å; L857-Q861 PolarHBondContact O-NE2 3Å; L857-Q861 VanDerWaalsContact O-NE2 3.11Å; A858-Q861 PolarHBondContact O-N 3.29Å; A858-Q861 VanDerWaalsContact O-N 3.13Å; L859-Q861 VanDerWaalsContact C-N 3.31Å; L859-Q861 PolarHBondContact O-N 3.37Å |
| 862 | E | 46.1 | Very low | 38.3 | Very low | 163 Ų | 163 | 97.8 Ų | 97.8 | 76% | 0.762 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -72.8 | -35.7 | 168.5 | -71.6 | -161.5 | 125.3 | 0 | 0 | 112.8 | A858 L859 | A858-E862 PolarHBondContact O-N 3.19Å; L859-E862 PolarHBondContact O-N 3.46Å |
| 863 | L | 40.2 | Very low | 38.9 | Very low | 94 Ų | 94 | 95.4 Ų | 95.4 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -82.1 | -16.9 | -172.1 | -75.1 | 167.9 | 0 | 0 | 0 | 115.5 | L859 I924 | L859-L863 HydrophobicContact CD2-CD1 4.34Å; L859-L863 HydrophobicContact CG-CD1 4.42Å; L859-L863 VanDerWaalsContact O-CB 3.26Å; L859-L863 WeakPolarHBondContact O-CB 3.27Å; L859-L863 WeakPolarHBondContact O-CD1 3.17Å; L859-L863 WeakPolarHBondContact O-CG 3.09Å; L859-L863 PolarHBondContact O-N 2.92Å; L863-I924 HydrophobicContact CD1-CG2 4.44Å |
| 864 | M | 43.7 | Very low | 39.2 | Very low | 83 Ų | 83 | 94.9 Ų | 94.9 | 41% | 0.409 | 51% | 0.514 | S | S | . | . | trans | -140.6 | 74.1 | 179.7 | -69.7 | -160.3 | -65.8 | 0 | 0 | 114.1 | F860 D866 | F860-M864 HydrophobicContact CD1-CE 3.94Å; F860-M864 HydrophobicContact CE1-CE 3.21Å; F860-M864 HydrophobicContact CE2-CE 4.37Å; F860-M864 HydrophobicContact CZ-CE 3.47Å; F860-M864 VanDerWaalsContact CZ-CE 3.47Å; F860-M864 PolarHBondContact O-N 2.86Å; M864-D866 VanDerWaalsContact C-N 3.26Å; M864-D866 PolarHBondContact O-N 3.04Å | ||
| 865 | P | 40.5 | Very low | 39.4 | Very low | 98 Ų | 98 | 95.2 Ų | 95.2 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14.2 | -177.9 | 27.4 | -36.2 | 0 | 0 | 0 | 115.7 | ||
| 866 | D | 38.5 | Very low | 39.7 | Very low | 146 Ų | 146 | 99.4 Ų | 99.4 | 78% | 0.781 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -4.7 | -171.4 | -69.2 | -50.7 | 0 | 0 | 0 | 115.3 | M864 K868 | M864-D866 VanDerWaalsContact C-N 3.26Å; M864-D866 PolarHBondContact O-N 3.04Å; D866-K868 PolarHBondContact O-N 3.23Å |
| 867 | L | 34.8 | Very low | 39.9 | Very low | 115 Ų | 115 | 102.4 Ų | 102.4 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | trans | -85.1 | 75.7 | -178.6 | -120.2 | 72.6 | 0 | 0 | 0 | 112 | A869 L874 | L867-A869 PolarHBondContact O-N 3.39Å; L867-L874 HydrophobicContact CD2-CD1 3.97Å | ||
| 868 | K | 35.4 | Very low | 39.8 | Very low | 194 Ų | 194 | 102.4 Ų | 102.4 | 84% | 0.843 | 52% | 0.519 | S | S | * | . | trans | -91.6 | 25.7 | -167.7 | -125.7 | 178.5 | -172.9 | -177.8 | 0 | 116.5 | D866 | D866-K868 PolarHBondContact O-N 3.23Š| ||
| 869 | A | 33.8 | Very low | 39.4 | Very low | 83 Ų | 83 | 105.1 Ų | 105.1 | 69% | 0.686 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -142.5 | 147.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L867 | L867-A869 PolarHBondContact O-N 3.39Š|
| 870 | D | 44.8 | Very low | 39.4 | Very low | 112 Ų | 112 | 105.2 Ų | 105.2 | 60% | 0.599 | 53% | 0.533 | S | S | * | . | trans | 62.5 | 55.8 | 168.1 | -128 | -15.1 | 0 | 0 | 0 | 116.6 | D872 E873 L874 | D870-D872 VanDerWaalsContact C-N 3.29Å; D870-D872 PolarHBondContact O-N 2.97Å; D870-E873 HydrophobicContact CB-CB 4.02Å; D870-E873 PolarHBondContact O-N 3.18Å; D870-E873 WeakPolarHBondContact OD1-CB 3.41Å; D870-L874 WeakPolarHBondContact O-CB 3.45Å; D870-L874 PolarHBondContact O-N 2.83Å | ||
| 871 | K | 37.9 | Very low | 39 | Very low | 130 Ų | 130 | 106.6 Ų | 106.6 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.9 | -38.5 | 177.1 | -155.8 | 179.4 | -173.1 | -174.8 | 0 | 112.1 | L874 I875 | K871-L874 PolarHBondContact O-N 2.97Å; K871-I875 HydrophobicContact CG-CD1 4.39Å; K871-I875 VanDerWaalsContact O-CG1 3.3Å; K871-I875 WeakPolarHBondContact O-CG1 3.4Å; K871-I875 PolarHBondContact O-N 3.01Å |
| 872 | D | 41.8 | Very low | 38.2 | Very low | 99 Ų | 99 | 106.1 Ų | 106.1 | 53% | 0.529 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75.6 | -35.9 | -176.9 | -57.8 | -9.6 | 0 | 0 | 0 | 112.1 | D870 L874 I875 K876 | D870-D872 VanDerWaalsContact C-N 3.29Å; D870-D872 PolarHBondContact O-N 2.97Å; D872-L874 VanDerWaalsContact C-N 3.33Å; D872-I875 PolarHBondContact O-N 3.46Å; D872-K876 WeakPolarHBondContact O-CB 3.25Å; D872-K876 VanDerWaalsContact O-CG 3.26Å; D872-K876 WeakPolarHBondContact O-CG 3.35Å; D872-K876 PolarHBondContact O-N 3.03Å |
| 873 | E | 43 | Very low | 37.4 | Very low | 40 Ų | 40 | 103.1 Ų | 103.1 | 19% | 0.187 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -68 | -33.8 | 170.6 | 176.9 | 64.5 | -177.2 | 0 | 0 | 111.4 | D870 R877 | D870-E873 HydrophobicContact CB-CB 4.02Å; D870-E873 PolarHBondContact O-N 3.18Å; D870-E873 WeakPolarHBondContact OD1-CB 3.41Å; E873-R877 WeakPolarHBondContact O-CB 3.47Å; E873-R877 WeakPolarHBondContact O-CG 3.09Å; E873-R877 PolarHBondContact O-N 3.27Å; E873-R877 IonicContact OE1-CZ 3.39Å; E873-R877 IonicContact OE1-NE 2.74Å; E873-R877 PolarHBondContact OE1-NE 3.38Å; E873-R877 IonicContact OE1-NH2 2.88Å; E873-R877 PolarHBondContact OE1-NH2 3.05Å |
| 874 | L | 38.1 | Very low | 36.9 | Very low | 66 Ų | 66 | 101.8 Ų | 101.8 | 35% | 0.346 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.8 | -35.2 | 175.6 | -158.8 | 140.5 | 0 | 0 | 0 | 112 | F860 L867 D870 K871 D872 F878 | F860-L874 HydrophobicContact CD1-CD2 4.39Å; F860-L874 HydrophobicContact CE1-CD2 3.85Å; L867-L874 HydrophobicContact CD2-CD1 3.97Å; D870-L874 WeakPolarHBondContact O-CB 3.45Å; D870-L874 PolarHBondContact O-N 2.83Å; K871-L874 PolarHBondContact O-N 2.97Å; D872-L874 VanDerWaalsContact C-N 3.33Å; L874-F878 WeakPolarHBondContact O-CB 3Å; L874-F878 PolarHBondContact O-N 3.31Å |
| 875 | I | 40.3 | Very low | 36.3 | Very low | 60 Ų | 60 | 104.7 Ų | 104.7 | 31% | 0.308 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.5 | -52.6 | 168.6 | -73.1 | 164.2 | 0 | 0 | 0 | 110.2 | K871 D872 R877 F878 E879 | K871-I875 HydrophobicContact CG-CD1 4.39Å; K871-I875 VanDerWaalsContact O-CG1 3.3Å; K871-I875 WeakPolarHBondContact O-CG1 3.4Å; K871-I875 PolarHBondContact O-N 3.01Å; D872-I875 PolarHBondContact O-N 3.46Å; I875-R877 VanDerWaalsContact C-N 3.26Å; I875-R877 PolarHBondContact O-N 3.36Å; I875-F878 CarbonylContact O-C 3.56Å; I875-F878 WeakPolarHBondContact O-CA 3.32Å; I875-F878 WeakPolarHBondContact O-CB 3.48Å; I875-F878 PolarHBondContact O-N 2.89Å; I875-E879 HydrophobicContact CG2-CG 4.3Å; I875-E879 VanDerWaalsContact CG2-OE1 3.23Å; I875-E879 WeakPolarHBondContact CG2-OE1 3.01Å; I875-E879 WeakPolarHBondContact O-CG 3.3Å; I875-E879 PolarHBondContact O-N 3.22Å |
| 876 | K | 40.8 | Very low | 35.8 | Very low | 123 Ų | 123 | 104 Ų | 104 | 54% | 0.535 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.4 | -35.9 | 176.7 | -75.3 | 166.9 | -177.8 | 169.2 | 0 | 113.4 | D872 E879 A880 | D872-K876 WeakPolarHBondContact O-CB 3.25Å; D872-K876 VanDerWaalsContact O-CG 3.26Å; D872-K876 WeakPolarHBondContact O-CG 3.35Å; D872-K876 PolarHBondContact O-N 3.03Å; K876-E879 WeakPolarHBondContact CA-OE2 3.15Å; K876-A880 WeakPolarHBondContact O-CB 3.41Å; K876-A880 PolarHBondContact O-N 2.95Å |
| 877 | R | 36.6 | Very low | 35.4 | Very low | 139 Ų | 139 | 101.5 Ų | 101.5 | 53% | 0.525 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.2 | -33.2 | 173.4 | -74.6 | 173.8 | -170.6 | 178.5 | 10.1 | 112.6 | E873 I875 V881 | E873-R877 WeakPolarHBondContact O-CB 3.47Å; E873-R877 WeakPolarHBondContact O-CG 3.09Å; E873-R877 PolarHBondContact O-N 3.27Å; E873-R877 IonicContact OE1-CZ 3.39Å; E873-R877 IonicContact OE1-NE 2.74Å; E873-R877 PolarHBondContact OE1-NE 3.38Å; E873-R877 IonicContact OE1-NH2 2.88Å; E873-R877 PolarHBondContact OE1-NH2 3.05Å; I875-R877 VanDerWaalsContact C-N 3.26Å; I875-R877 PolarHBondContact O-N 3.36Å; R877-V881 VanDerWaalsContact O-CB 3.29Å; R877-V881 WeakPolarHBondContact O-CB 3.33Å; R877-V881 WeakPolarHBondContact O-CG2 3.45Å; R877-V881 PolarHBondContact O-N 2.87Å |
| 878 | F | 35.1 | Very low | 35.2 | Very low | 79 Ų | 79 | 101.1 Ų | 101.1 | 35% | 0.346 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69 | -46.7 | 174.3 | -159.8 | -95 | 0 | 0 | 0 | 110.5 | L856 L874 I875 V881 M882 | L856-F878 HydrophobicContact CD2-CZ 3.96Å; L874-F878 WeakPolarHBondContact O-CB 3Å; L874-F878 PolarHBondContact O-N 3.31Å; I875-F878 CarbonylContact O-C 3.56Å; I875-F878 WeakPolarHBondContact O-CA 3.32Å; I875-F878 WeakPolarHBondContact O-CB 3.48Å; I875-F878 PolarHBondContact O-N 2.89Å; F878-V881 PolarHBondContact O-N 2.85Å; F878-M882 HydrophobicContact CD1-CG 4.13Å; F878-M882 HydrophobicContact CE1-CG 4.06Å; F878-M882 WeakPolarHBondContact O-CB 3.33Å; F878-M882 VanDerWaalsContact O-CG 3.27Å; F878-M882 WeakPolarHBondContact O-CG 3.44Å; F878-M882 PolarHBondContact O-N 3.1Å |
| 879 | E | 35.2 | Very low | 35.1 | Very low | 114 Ų | 114 | 98 Ų | 98 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 173.2 | -68.4 | 164.5 | 166.2 | 0 | 0 | 111.4 | I875 K876 V881 M882 C883 | I875-E879 HydrophobicContact CG2-CG 4.3Å; I875-E879 VanDerWaalsContact CG2-OE1 3.23Å; I875-E879 WeakPolarHBondContact CG2-OE1 3.01Å; I875-E879 WeakPolarHBondContact O-CG 3.3Å; I875-E879 PolarHBondContact O-N 3.22Å; K876-E879 WeakPolarHBondContact CA-OE2 3.15Å; E879-V881 VanDerWaalsContact C-N 3.25Å; E879-V881 PolarHBondContact O-N 3.18Å; E879-M882 CarbonylContact O-C 3.56Å; E879-M882 PolarHBondContact O-N 3.2Å; E879-C883 WeakPolarHBondContact O-CB 3.29Å; E879-C883 PolarHBondContact O-N 3.16Å |
| 880 | A | 35 | Very low | 35.1 | Very low | 76 Ų | 76 | 96.7 Ų | 96.7 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -24 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | K876 | K876-A880 WeakPolarHBondContact O-CB 3.41Å; K876-A880 PolarHBondContact O-N 2.95Å |
| 881 | V | 31.3 | Very low | 34.3 | Very low | 114 Ų | 114 | 93.4 Ų | 93.4 | 69% | 0.691 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -83.7 | -29.2 | 172.2 | 166.9 | 0 | 0 | 0 | 0 | 111.8 | R877 F878 E879 C883 | R877-V881 VanDerWaalsContact O-CB 3.29Å; R877-V881 WeakPolarHBondContact O-CB 3.33Å; R877-V881 WeakPolarHBondContact O-CG2 3.45Å; R877-V881 PolarHBondContact O-N 2.87Å; F878-V881 PolarHBondContact O-N 2.85Å; E879-V881 VanDerWaalsContact C-N 3.25Å; E879-V881 PolarHBondContact O-N 3.18Å; V881-C883 VanDerWaalsContact C-N 3.32Å |
| 882 | M | 30.5 | Very low | 33.9 | Very low | 101 Ų | 101 | 95.3 Ų | 95.3 | 50% | 0.498 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -83.8 | -1.8 | 174.3 | -69.4 | -63.3 | -65.9 | 0 | 0 | 113.8 | F878 E879 P884 | F878-M882 HydrophobicContact CD1-CG 4.13Å; F878-M882 HydrophobicContact CE1-CG 4.06Å; F878-M882 WeakPolarHBondContact O-CB 3.33Å; F878-M882 VanDerWaalsContact O-CG 3.27Å; F878-M882 WeakPolarHBondContact O-CG 3.44Å; F878-M882 PolarHBondContact O-N 3.1Å; E879-M882 CarbonylContact O-C 3.56Å; E879-M882 PolarHBondContact O-N 3.2Å; M882-P884 WeakPolarHBondContact O-CD 3.35Å |
| 883 | C | 28.2 | Very low | 33.6 | Very low | 99 Ų | 99 | 94.8 Ų | 94.8 | 67% | 0.669 | 50% | 0.501 | S | S | * | . | trans | -91.1 | 48.9 | -179.2 | -155.4 | 0 | 0 | 0 | 0 | 116.6 | E879 V881 | E879-C883 WeakPolarHBondContact O-CB 3.29Å; E879-C883 PolarHBondContact O-N 3.16Å; V881-C883 VanDerWaalsContact C-N 3.32Å | ||
| 884 | P | 29.4 | Very low | 33.1 | Very low | 67 Ų | 67 | 96.2 Ų | 96.2 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | trans | -114.1 | 29.4 | 157.4 | 37.5 | -29.9 | 0 | 0 | 0 | 113.7 | M882 S886 T887 L888 | M882-P884 WeakPolarHBondContact O-CD 3.35Å; P884-S886 PolarHBondContact O-N 3.47Å; P884-T887 WeakPolarHBondContact CB-OG1 3.4Å; P884-T887 PolarHBondContact O-N 3.38Å; P884-T887 VanDerWaalsContact O-N 3.12Å; P884-T887 PolarHBondContact O-OG1 3.26Å; P884-L888 PolarHBondContact O-N 2.92Å; P884-L888 VanDerWaalsContact O-N 3.15Å | ||
| 885 | F | 31 | Very low | 32.8 | Very low | 144 Ų | 144 | 99.4 Ų | 99.4 | 63% | 0.632 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.9 | -29.5 | 171.5 | -89.8 | -78.8 | 0 | 0 | 0 | 113.1 | T887 L888 R889 | F885-T887 VanDerWaalsContact C-N 3.33Å; F885-T887 PolarHBondContact O-N 3.46Å; F885-L888 CarbonylContact O-C 3.51Å; F885-L888 PolarHBondContact O-N 3.41Å; F885-R889 WeakPolarHBondContact O-CB 3.49Å; F885-R889 PolarHBondContact O-N 2.84Å |
| 886 | S | 31.3 | Very low | 32.4 | Very low | 83 Ų | 83 | 100.5 Ų | 100.5 | 58% | 0.58 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.7 | -39.3 | 170.9 | 55 | 0 | 0 | 0 | 0 | 112.6 | P884 L888 R889 A890 | P884-S886 PolarHBondContact O-N 3.47Å; S886-L888 VanDerWaalsContact C-N 3.34Å; S886-R889 WeakPolarHBondContact O-CB 3.25Å; S886-R889 PolarHBondContact O-N 3.44Å; S886-A890 PolarHBondContact O-N 2.99Å |
| 887 | T | 30.1 | Very low | 32.1 | Very low | 93 Ų | 93 | 103 Ų | 103 | 57% | 0.571 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73.2 | -29.6 | 176.7 | -9.3 | 0 | 0 | 0 | 0 | 111.8 | P884 F885 A891 | P884-T887 WeakPolarHBondContact CB-OG1 3.4Å; P884-T887 PolarHBondContact O-N 3.38Å; P884-T887 VanDerWaalsContact O-N 3.12Å; P884-T887 PolarHBondContact O-OG1 3.26Å; F885-T887 VanDerWaalsContact C-N 3.33Å; F885-T887 PolarHBondContact O-N 3.46Å; T887-A891 PolarHBondContact O-N 2.89Å |
| 888 | L | 29.5 | Very low | 31.9 | Very low | 107 Ų | 107 | 106.4 Ų | 106.4 | 56% | 0.56 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -75.4 | -34.7 | 173.2 | -142.9 | 157.2 | 0 | 0 | 0 | 111.5 | P884 F885 S886 A891 R892 | P884-L888 PolarHBondContact O-N 2.92Å; P884-L888 VanDerWaalsContact O-N 3.15Å; F885-L888 CarbonylContact O-C 3.51Å; F885-L888 PolarHBondContact O-N 3.41Å; S886-L888 VanDerWaalsContact C-N 3.34Å; L888-A891 PolarHBondContact O-N 3.3Å; L888-R892 WeakPolarHBondContact O-CB 3.33Å; L888-R892 PolarHBondContact O-N 2.86Å |
| 889 | R | 34.1 | Very low | 31.7 | Very low | 128 Ų | 128 | 110.2 Ų | 110.2 | 48% | 0.483 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.8 | -46.2 | 168.7 | -169.5 | -175.4 | -88 | -163.4 | -9.3 | 110.6 | E345 F885 S886 A891 R892 T893 | E345-R889 IonicContact OE1-CZ 2.66Å; E345-R889 IonicContact OE1-NH1 2.63Å; E345-R889 PolarHBondContact OE1-NH1 2.97Å; E345-R889 IonicContact OE1-NH2 2.8Å; E345-R889 IonicContact OE2-CZ 3.4Å; E345-R889 IonicContact OE2-NH1 3.73Å; E345-R889 PolarHBondContact OE2-NH1 3.5Å; E345-R889 IonicContact OE2-NH2 3.23Å; E345-R889 PolarHBondContact OE2-NH2 3.32Å; F885-R889 WeakPolarHBondContact O-CB 3.49Å; F885-R889 PolarHBondContact O-N 2.84Å; S886-R889 WeakPolarHBondContact O-CB 3.25Å; S886-R889 PolarHBondContact O-N 3.44Å; R889-A891 PolarHBondContact O-N 3.24Å; R889-R892 WeakPolarHBondContact O-CB 3.48Å; R889-R892 PolarHBondContact O-N 3.32Å; R889-R892 VanDerWaalsContact O-N 3.13Å; R889-T893 PolarHBondContact O-N 2.95Å; R889-T893 VanDerWaalsContact O-N 3.13Å; R889-T893 PolarHBondContact O-OG1 3.37Å |
| 890 | A | 32.9 | Very low | 31.4 | Very low | 56 Ų | 56 | 106.4 Ų | 106.4 | 46% | 0.463 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -32.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S886 T893 A894 | S886-A890 PolarHBondContact O-N 2.99Å; A890-T893 PolarHBondContact O-OG1 3.48Å; A890-T893 VanDerWaalsContact O-OG1 3.12Å; A890-A894 WeakPolarHBondContact O-CB 3.48Å; A890-A894 PolarHBondContact O-N 2.98Å |
| 891 | A | 28.5 | Very low | 31.2 | Very low | 43 Ų | 43 | 105.6 Ų | 105.6 | 36% | 0.355 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70 | -35.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T887 L888 R889 A894 I895 | T887-A891 PolarHBondContact O-N 2.89Å; L888-A891 PolarHBondContact O-N 3.3Å; R889-A891 PolarHBondContact O-N 3.24Å; A891-A894 PolarHBondContact O-N 2.91Å; A891-I895 WeakPolarHBondContact O-CB 3.46Å; A891-I895 WeakPolarHBondContact O-CD1 3.46Å; A891-I895 VanDerWaalsContact O-CG1 3.25Å; A891-I895 WeakPolarHBondContact O-CG1 3.26Å; A891-I895 PolarHBondContact O-N 3.4Å |
| 892 | R | 29.1 | Very low | 31.1 | Very low | 170 Ų | 170 | 104 Ų | 104 | 64% | 0.642 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.2 | -44.1 | 180 | -158.3 | 171.9 | -173.3 | 170.6 | -0.3 | 111.5 | L888 R889 I895 S896 | L888-R892 WeakPolarHBondContact O-CB 3.33Å; L888-R892 PolarHBondContact O-N 2.86Å; R889-R892 WeakPolarHBondContact O-CB 3.48Å; R889-R892 PolarHBondContact O-N 3.32Å; R889-R892 VanDerWaalsContact O-N 3.13Å; R892-I895 PolarHBondContact O-N 2.89Å; R892-S896 PolarHBondContact O-N 3.42Å; R892-S896 VanDerWaalsContact O-N 3.09Å |
| 893 | T | 34.9 | Very low | 31.1 | Very low | 89 Ų | 89 | 105 Ų | 105 | 55% | 0.546 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.5 | -41.7 | 172.7 | 48.7 | 0 | 0 | 0 | 0 | 112.4 | R889 A890 I895 S896 | R889-T893 PolarHBondContact O-N 2.95Å; R889-T893 VanDerWaalsContact O-N 3.13Å; R889-T893 PolarHBondContact O-OG1 3.37Å; A890-T893 PolarHBondContact O-OG1 3.48Å; A890-T893 VanDerWaalsContact O-OG1 3.12Å; T893-I895 VanDerWaalsContact C-N 3.26Å; T893-I895 PolarHBondContact O-N 3.31Å; T893-S896 PolarHBondContact O-N 3Å |
| 894 | A | 32.4 | Very low | 31.1 | Very low | 70 Ų | 70 | 106.5 Ų | 106.5 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.2 | -25.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A890 A891 | A890-A894 WeakPolarHBondContact O-CB 3.48Å; A890-A894 PolarHBondContact O-N 2.98Å; A891-A894 PolarHBondContact O-N 2.91Å |
| 895 | I | 33.2 | Very low | 31.2 | Very low | 132 Ų | 132 | 106.3 Ų | 106.3 | 68% | 0.677 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -83.8 | -36.9 | 175.1 | -71.4 | 165.9 | 0 | 0 | 0 | 111.5 | A891 R892 T893 Q897 | A891-I895 WeakPolarHBondContact O-CB 3.46Å; A891-I895 WeakPolarHBondContact O-CD1 3.46Å; A891-I895 VanDerWaalsContact O-CG1 3.25Å; A891-I895 WeakPolarHBondContact O-CG1 3.26Å; A891-I895 PolarHBondContact O-N 3.4Å; R892-I895 PolarHBondContact O-N 2.89Å; T893-I895 VanDerWaalsContact C-N 3.26Å; T893-I895 PolarHBondContact O-N 3.31Å; I895-Q897 VanDerWaalsContact C-N 3.28Å; I895-Q897 PolarHBondContact O-N 3.05Å |
| 896 | S | 32 | Very low | 31.1 | Very low | 83 Ų | 83 | 105 Ų | 105 | 58% | 0.58 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.2 | -33 | -176.7 | -161.8 | 0 | 0 | 0 | 0 | 113.6 | R892 T893 R898 | R892-S896 PolarHBondContact O-N 3.42Å; R892-S896 VanDerWaalsContact O-N 3.09Å; T893-S896 PolarHBondContact O-N 3Å; S896-R898 PolarHBondContact O-N 2.78Å |
| 897 | Q | 34.8 | Very low | 31.1 | Very low | 175 Ų | 175 | 105.3 Ų | 105.3 | 82% | 0.818 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 23.9 | -177.1 | -63.1 | -168.3 | -5.8 | 0 | 0 | 115.6 | I895 | I895-Q897 VanDerWaalsContact C-N 3.28Å; I895-Q897 PolarHBondContact O-N 3.05Å |
| 898 | R | 31 | Very low | 31.1 | Very low | 212 Ų | 212 | 103.5 Ų | 103.5 | 80% | 0.8 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -140.4 | 73.8 | -177.8 | -69.7 | -169.9 | 176.2 | 173.1 | 2.6 | 116.6 | S896 | S896-R898 PolarHBondContact O-N 2.78Š|
| 899 | N | 31.7 | Very low | 31.2 | Very low | 159 Ų | 159 | 104.2 Ų | 104.2 | 85% | 0.85 | 58% | 0.578 | S | S | * | * | trans | 61.4 | 77.9 | 146.4 | -59.3 | -32.9 | 0 | 0 | 0 | 119.9 | ||||
| 900 | G | 29.4 | Very low | 31.1 | Very low | 33 Ų | 33 | 99.7 Ų | 99.7 | 34% | 0.34 | 57% | 0.568 | S | S | . | * | 101.3 | 120.9 | 94.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | S666 N668 | S666-G900 WeakPolarHBondContact CB-O 3.33Å; N668-G900 VanDerWaalsContact OD1-CA 3.29Å; N668-G900 WeakPolarHBondContact OD1-CA 3.43Å | |||
| 901 | S | 29.8 | Very low | 30.9 | Very low | 60 Ų | 60 | 103.5 Ų | 103.5 | 42% | 0.42 | 58% | 0.578 | S | S | . | * | trans | 102.9 | -134.1 | 165.6 | 62.7 | 0 | 0 | 0 | 0 | 118.8 | S666 T667 N668 | S666-S901 WeakPolarHBondContact CB-OG 3.33Å; S666-S901 PolarHBondContact OG-OG 3.26Å; S666-S901 VanDerWaalsContact OG-OG 3.07Å; T667-S901 CarbonylContact C-O 3.33Å; T667-S901 VanDerWaalsContact C-O 3.29Å; T667-S901 VanDerWaalsContact CA-O 3.32Å; T667-S901 WeakPolarHBondContact CA-O 3.24Å; N668-S901 WeakPolarHBondContact CB-O 3.45Å; N668-S901 PolarHBondContact N-O 2.87Å; N668-S901 PolarHBondContact OD1-N 3.47Å | ||
| 902 | N | 29 | Very low | 31 | Very low | 81 Ų | 81 | 105 Ų | 105 | 43% | 0.433 | 59% | 0.586 | S | S | . | * | trans | -115.2 | 147.6 | -162.5 | 58.2 | -95.6 | 0 | 0 | 0 | 116.5 | S666 T667 | S666-N902 PolarHBondContact N-O 3.44Å; S666-N902 PolarHBondContact OG-N 3.41Å; S666-N902 PolarHBondContact OG-O 3.19Å; T667-N902 PolarHBondContact OG1-O 3.33Å | ||
| 903 | L | 30.5 | Very low | 31.1 | Very low | 121 Ų | 121 | 99.1 Ų | 99.1 | 63% | 0.634 | 57% | 0.569 | S | S | * | * | trans | -171.8 | 79.8 | 157.3 | -174.9 | 89.2 | 0 | 0 | 0 | 106.9 | T667 S905 | T667-L903 HydrophobicContact CG2-CB 4.02Å; T667-L903 VanDerWaalsContact CG2-N 3.26Å; T667-L903 WeakPolarHBondContact OG1-CB 3.47Å; T667-L903 PolarHBondContact OG1-N 2.92Å; L903-S905 PolarHBondContact O-N 3.08Å | ||
| 904 | D | 28.6 | Very low | 31.1 | Very low | 130 Ų | 130 | 98 Ų | 98 | 70% | 0.695 | 56% | 0.56 | S | S | * | * | trans | -101.2 | 98.6 | -154.3 | -35.2 | -54.5 | 0 | 0 | 0 | 110.7 | ||||
| 905 | S | 31.7 | Very low | 31.2 | Very low | 64 Ų | 64 | 97.5 Ų | 97.5 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | trans | -170.8 | 124.9 | 170.2 | 176 | 0 | 0 | 0 | 0 | 112.3 | L903 T907 | L903-S905 PolarHBondContact O-N 3.08Å; S905-T907 PolarHBondContact O-N 3.17Å; S905-T907 WeakPolarHBondContact OG-CB 3.2Å; S905-T907 PolarHBondContact OG-N 2.84Å; S905-T907 PolarHBondContact OG-OG1 2.93Å | ||
| 906 | P | 29.3 | Very low | 31.3 | Very low | 115 Ų | 115 | 93.7 Ų | 93.7 | 75% | 0.747 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.2 | 172 | -25.2 | 35.4 | 0 | 0 | 0 | 114.1 | A908 I909 | P906-A908 PolarHBondContact O-N 3.22Å; P906-A908 VanDerWaalsContact O-N 3.14Å; P906-I909 PolarHBondContact O-N 2.95Å |
| 907 | T | 31.2 | Very low | 31.4 | Very low | 91 Ų | 91 | 92.3 Ų | 92.3 | 56% | 0.558 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.4 | -30.4 | -172.5 | -42.8 | 0 | 0 | 0 | 0 | 113.2 | S905 I909 M911 | S905-T907 PolarHBondContact O-N 3.17Å; S905-T907 WeakPolarHBondContact OG-CB 3.2Å; S905-T907 PolarHBondContact OG-N 2.84Å; S905-T907 PolarHBondContact OG-OG1 2.93Å; T907-I909 VanDerWaalsContact C-N 3.34Å; T907-I909 PolarHBondContact O-N 2.94Å; T907-M911 WeakPolarHBondContact O-CG 3.33Å; T907-M911 PolarHBondContact O-N 2.86Å |
| 908 | A | 29.5 | Very low | 31.5 | Very low | 55 Ų | 55 | 88.9 Ų | 88.9 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -30.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P906 S912 | P906-A908 PolarHBondContact O-N 3.22Å; P906-A908 VanDerWaalsContact O-N 3.14Å; A908-S912 PolarHBondContact O-N 3.12Å |
| 909 | I | 31.6 | Very low | 31.8 | Very low | 122 Ų | 122 | 81.2 Ų | 81.2 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -74.5 | -47.4 | -179.5 | -62.1 | 178.4 | 0 | 0 | 0 | 109.6 | P906 T907 M911 S912 T913 | P906-I909 PolarHBondContact O-N 2.95Å; T907-I909 VanDerWaalsContact C-N 3.34Å; T907-I909 PolarHBondContact O-N 2.94Å; I909-M911 PolarHBondContact O-N 2.92Å; I909-S912 PolarHBondContact O-N 2.95Å; I909-S912 PolarHBondContact O-OG 2.81Å; I909-T913 PolarHBondContact O-N 3.27Å; I909-T913 VanDerWaalsContact O-N 3.07Å; I909-T913 PolarHBondContact O-OG1 3.13Å |
| 910 | A | 31.1 | Very low | 32.1 | Very low | 33 Ų | 33 | 78.3 Ų | 78.3 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.3 | -36.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L848 N914 | L848-A910 HydrophobicContact CD1-CB 4.07Å; A910-N914 WeakPolarHBondContact O-CB 3.28Å; A910-N914 PolarHBondContact O-N 3.5Å; A910-N914 PolarHBondContact O-ND2 3.38Å; A910-N914 VanDerWaalsContact O-ND2 3.08Å |
| 911 | M | 29.3 | Very low | 32.4 | Very low | 136 Ų | 136 | 79.3 Ų | 79.3 | 67% | 0.67 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.1 | -32.3 | 174.5 | -69.4 | -171.1 | 81.8 | 0 | 0 | 113.4 | T907 I909 A915 | T907-M911 WeakPolarHBondContact O-CG 3.33Å; T907-M911 PolarHBondContact O-N 2.86Å; I909-M911 PolarHBondContact O-N 2.92Å; M911-A915 WeakPolarHBondContact O-CB 3.48Å; M911-A915 PolarHBondContact O-N 3.34Å |
| 912 | S | 30.2 | Very low | 33 | Very low | 73 Ų | 73 | 82.9 Ų | 82.9 | 51% | 0.51 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -76.7 | -39.7 | 178.4 | 78.6 | 0 | 0 | 0 | 0 | 112.2 | A908 I909 A915 A916 | A908-S912 PolarHBondContact O-N 3.12Å; I909-S912 PolarHBondContact O-N 2.95Å; I909-S912 PolarHBondContact O-OG 2.81Å; S912-A915 PolarHBondContact O-N 3.02Å; S912-A916 PolarHBondContact O-N 3.01Å |
| 913 | T | 32.9 | Very low | 33.4 | Very low | 47 Ų | 47 | 83.5 Ų | 83.5 | 29% | 0.288 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 172.5 | -47.3 | 0 | 0 | 0 | 0 | 111.1 | I909 A915 A916 V917 | I909-T913 PolarHBondContact O-N 3.27Å; I909-T913 VanDerWaalsContact O-N 3.07Å; I909-T913 PolarHBondContact O-OG1 3.13Å; T913-A915 VanDerWaalsContact C-N 3.3Å; T913-A915 PolarHBondContact O-N 3.3Å; T913-A916 WeakPolarHBondContact O-CB 3.25Å; T913-A916 PolarHBondContact O-N 3.22Å; T913-A916 VanDerWaalsContact O-N 3.07Å; T913-V917 WeakPolarHBondContact O-CG2 3.21Å; T913-V917 PolarHBondContact O-N 2.99Å |
| 914 | N | 33.8 | Very low | 33.9 | Very low | 67 Ų | 67 | 80.8 Ų | 80.8 | 36% | 0.358 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.7 | -34.4 | 174.9 | -84.6 | -50.7 | 0 | 0 | 0 | 113.1 | L848 A910 V917 L918 | L848-N914 WeakPolarHBondContact CD1-ND2 3.28Å; A910-N914 WeakPolarHBondContact O-CB 3.28Å; A910-N914 PolarHBondContact O-N 3.5Å; A910-N914 PolarHBondContact O-ND2 3.38Å; A910-N914 VanDerWaalsContact O-ND2 3.08Å; N914-V917 PolarHBondContact O-N 3.06Å; N914-L918 WeakPolarHBondContact O-CB 3.43Å; N914-L918 WeakPolarHBondContact O-CG 3.16Å; N914-L918 PolarHBondContact O-N 2.92Å |
| 915 | A | 34.8 | Very low | 34.5 | Very low | 59 Ų | 59 | 78.3 Ų | 78.3 | 49% | 0.488 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M911 S912 T913 A919 | M911-A915 WeakPolarHBondContact O-CB 3.48Å; M911-A915 PolarHBondContact O-N 3.34Å; S912-A915 PolarHBondContact O-N 3.02Å; T913-A915 VanDerWaalsContact C-N 3.3Å; T913-A915 PolarHBondContact O-N 3.3Å; A915-A919 WeakPolarHBondContact O-CB 3.48Å; A915-A919 PolarHBondContact O-N 3.45Å |
| 916 | A | 35 | Very low | 34.9 | Very low | 52 Ų | 52 | 81.1 Ų | 81.1 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S912 T913 A919 L920 | S912-A916 PolarHBondContact O-N 3.01Å; T913-A916 WeakPolarHBondContact O-CB 3.25Å; T913-A916 PolarHBondContact O-N 3.22Å; T913-A916 VanDerWaalsContact O-N 3.07Å; A916-A919 PolarHBondContact O-N 3.47Å; A916-L920 WeakPolarHBondContact O-CB 3.5Å; A916-L920 PolarHBondContact O-N 3.36Å |
| 917 | V | 33.7 | Very low | 35.3 | Very low | 53 Ų | 53 | 82 Ų | 82 | 32% | 0.321 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 173.2 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | F852 T913 N914 A919 L920 S921 | F852-V917 HydrophobicContact CE2-CG2 3.47Å; F852-V917 VanDerWaalsContact CE2-CG2 3.47Å; F852-V917 HydrophobicContact CZ-CG2 3.84Å; T913-V917 WeakPolarHBondContact O-CG2 3.21Å; T913-V917 PolarHBondContact O-N 2.99Å; N914-V917 PolarHBondContact O-N 3.06Å; V917-A919 VanDerWaalsContact C-N 3.26Å; V917-A919 PolarHBondContact O-N 2.9Å; V917-L920 PolarHBondContact O-N 2.92Å; V917-S921 VanDerWaalsContact O-CB 3.26Å; V917-S921 WeakPolarHBondContact O-CB 3.49Å; V917-S921 PolarHBondContact O-N 3.32Å |
| 918 | L | 38.2 | Very low | 35.7 | Very low | 104 Ų | 104 | 80 Ų | 80 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.4 | -27.8 | 176.3 | -76.2 | 166.8 | 0 | 0 | 0 | 113 | N914 K922 | N914-L918 WeakPolarHBondContact O-CB 3.43Å; N914-L918 WeakPolarHBondContact O-CG 3.16Å; N914-L918 PolarHBondContact O-N 2.92Å; L918-K922 WeakPolarHBondContact O-CB 3.27Å; L918-K922 VanDerWaalsContact O-CG 3.3Å; L918-K922 WeakPolarHBondContact O-CG 3.36Å; L918-K922 PolarHBondContact O-N 3.42Å; L918-K922 VanDerWaalsContact O-N 3.17Å |
| 919 | A | 37 | Very low | 36.1 | Very low | 51 Ų | 51 | 82.7 Ų | 82.7 | 42% | 0.421 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.5 | -43.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | A915 A916 V917 K922 L923 | A915-A919 WeakPolarHBondContact O-CB 3.48Å; A915-A919 PolarHBondContact O-N 3.45Å; A916-A919 PolarHBondContact O-N 3.47Å; V917-A919 VanDerWaalsContact C-N 3.26Å; V917-A919 PolarHBondContact O-N 2.9Å; A919-K922 PolarHBondContact O-N 3.27Å; A919-L923 WeakPolarHBondContact O-CB 3.34Å; A919-L923 PolarHBondContact O-N 2.83Å |
| 920 | L | 36.6 | Very low | 36.1 | Very low | 98 Ų | 98 | 81.9 Ų | 81.9 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 176 | -85.9 | 162.8 | 0 | 0 | 0 | 112.1 | A916 V917 K922 L923 I924 | A916-L920 WeakPolarHBondContact O-CB 3.5Å; A916-L920 PolarHBondContact O-N 3.36Å; V917-L920 PolarHBondContact O-N 2.92Å; L920-K922 VanDerWaalsContact C-N 3.34Å; L920-K922 PolarHBondContact O-N 3.3Å; L920-L923 CarbonylContact O-C 3.52Å; L920-L923 WeakPolarHBondContact O-CB 3.46Å; L920-L923 PolarHBondContact O-N 3Å; L920-L923 VanDerWaalsContact O-N 3.08Å; L920-I924 WeakPolarHBondContact O-CG1 3.36Å; L920-I924 PolarHBondContact O-N 3.4Å |
| 921 | S | 36.9 | Very low | 36.2 | Very low | 54 Ų | 54 | 90.6 Ų | 90.6 | 38% | 0.378 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -54.8 | -48 | 171.8 | 163.6 | 0 | 0 | 0 | 0 | 111.1 | V917 L923 I924 D925 | V917-S921 VanDerWaalsContact O-CB 3.26Å; V917-S921 WeakPolarHBondContact O-CB 3.49Å; V917-S921 PolarHBondContact O-N 3.32Å; S921-L923 VanDerWaalsContact C-N 3.32Å; S921-L923 PolarHBondContact O-N 3.07Å; S921-I924 PolarHBondContact O-N 3.24Å; S921-D925 WeakPolarHBondContact O-CB 3.36Å; S921-D925 PolarHBondContact O-N 3.34Å |
| 922 | K | 41.6 | Very low | 36.4 | Very low | 135 Ų | 135 | 87.8 Ų | 87.8 | 59% | 0.587 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.9 | -29.9 | 175.2 | -78.4 | 175.6 | 177.7 | 172.2 | 0 | 114 | L918 A919 L920 Q926 | L918-K922 WeakPolarHBondContact O-CB 3.27Å; L918-K922 VanDerWaalsContact O-CG 3.3Å; L918-K922 WeakPolarHBondContact O-CG 3.36Å; L918-K922 PolarHBondContact O-N 3.42Å; L918-K922 VanDerWaalsContact O-N 3.17Å; A919-K922 PolarHBondContact O-N 3.27Å; L920-K922 VanDerWaalsContact C-N 3.34Å; L920-K922 PolarHBondContact O-N 3.3Å; K922-Q926 WeakPolarHBondContact O-CB 3.4Å; K922-Q926 VanDerWaalsContact O-CG 3.26Å; K922-Q926 WeakPolarHBondContact O-CG 3.18Å; K922-Q926 PolarHBondContact O-N 3.48Å |
| 923 | L | 38.1 | Very low | 36.5 | Very low | 93 Ų | 93 | 92.2 Ų | 92.2 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.5 | -38 | 173.9 | -106.8 | 154.4 | 0 | 0 | 0 | 111.9 | A919 L920 S921 Q926 Q927 | A919-L923 WeakPolarHBondContact O-CB 3.34Å; A919-L923 PolarHBondContact O-N 2.83Å; L920-L923 CarbonylContact O-C 3.52Å; L920-L923 WeakPolarHBondContact O-CB 3.46Å; L920-L923 PolarHBondContact O-N 3Å; L920-L923 VanDerWaalsContact O-N 3.08Å; S921-L923 VanDerWaalsContact C-N 3.32Å; S921-L923 PolarHBondContact O-N 3.07Å; L923-Q926 PolarHBondContact O-N 3.46Å; L923-Q927 WeakPolarHBondContact O-CG 3.22Å; L923-Q927 PolarHBondContact O-N 3.44Å |
| 924 | I | 40.1 | Very low | 36.2 | Very low | 65 Ų | 65 | 95.1 Ų | 95.1 | 33% | 0.333 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 174.7 | -68 | 165.5 | 0 | 0 | 0 | 110.1 | L859 L863 L920 S921 Q926 Q927 S928 | L859-I924 HydrophobicContact CD2-CD1 4.16Å; L863-I924 HydrophobicContact CD1-CG2 4.44Å; L920-I924 WeakPolarHBondContact O-CG1 3.36Å; L920-I924 PolarHBondContact O-N 3.4Å; S921-I924 PolarHBondContact O-N 3.24Å; I924-Q926 VanDerWaalsContact C-N 3.34Å; I924-Q926 PolarHBondContact O-N 2.93Å; I924-Q927 PolarHBondContact O-N 3.19Å; I924-Q927 VanDerWaalsContact O-N 3.15Å; I924-S928 WeakPolarHBondContact O-CB 3.4Å; I924-S928 PolarHBondContact O-N 2.85Å; I924-S928 PolarHBondContact O-OG 2.93Å |
| 925 | D | 41.5 | Very low | 36 | Very low | 77 Ų | 77 | 97.1 Ų | 97.1 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 170.8 | -90.4 | -19.4 | 0 | 0 | 0 | 112.2 | S921 Q927 S928 Q929 | S921-D925 WeakPolarHBondContact O-CB 3.36Å; S921-D925 PolarHBondContact O-N 3.34Å; D925-Q927 VanDerWaalsContact C-N 3.34Å; D925-S928 WeakPolarHBondContact CA-OG 3.38Å; D925-S928 PolarHBondContact O-N 2.66Å; D925-S928 PolarHBondContact O-OG 3.44Å; D925-Q929 VanDerWaalsContact O-CB 3.24Å; D925-Q929 WeakPolarHBondContact O-CB 3.22Å; D925-Q929 WeakPolarHBondContact O-CG 3.4Å; D925-Q929 PolarHBondContact O-N 3.21Å |
| 926 | Q | 40.2 | Very low | 35.6 | Very low | 123 Ų | 123 | 104.9 Ų | 104.9 | 58% | 0.575 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.8 | -35.7 | 174.3 | -78.4 | -180 | 0.2 | 0 | 0 | 111.8 | K922 L923 I924 C930 | K922-Q926 WeakPolarHBondContact O-CB 3.4Å; K922-Q926 VanDerWaalsContact O-CG 3.26Å; K922-Q926 WeakPolarHBondContact O-CG 3.18Å; K922-Q926 PolarHBondContact O-N 3.48Å; L923-Q926 PolarHBondContact O-N 3.46Å; I924-Q926 VanDerWaalsContact C-N 3.34Å; I924-Q926 PolarHBondContact O-N 2.93Å; Q926-C930 WeakPolarHBondContact O-CB 3.33Å; Q926-C930 PolarHBondContact O-N 3.39Å; Q926-C930 PolarHBondContact O-SG 3.38Å |
| 927 | Q | 38.6 | Very low | 35.5 | Very low | 133 Ų | 133 | 108.1 Ų | 108.1 | 62% | 0.621 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73.8 | -35.5 | 175.5 | -74.1 | -165.5 | 7.1 | 0 | 0 | 113.4 | L923 I924 D925 C930 R931 | L923-Q927 WeakPolarHBondContact O-CG 3.22Å; L923-Q927 PolarHBondContact O-N 3.44Å; I924-Q927 PolarHBondContact O-N 3.19Å; I924-Q927 VanDerWaalsContact O-N 3.15Å; D925-Q927 VanDerWaalsContact C-N 3.34Å; Q927-C930 PolarHBondContact O-N 3.01Å; Q927-R931 PolarHBondContact O-N 2.99Å; Q927-R931 VanDerWaalsContact O-N 3.13Å |
| 928 | S | 38.5 | Very low | 35.2 | Very low | 51 Ų | 51 | 108.7 Ų | 108.7 | 36% | 0.357 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.7 | -43.4 | 174.3 | 72 | 0 | 0 | 0 | 0 | 110.8 | I924 D925 C930 R931 A932 | I924-S928 WeakPolarHBondContact O-CB 3.4Å; I924-S928 PolarHBondContact O-N 2.85Å; I924-S928 PolarHBondContact O-OG 2.93Å; D925-S928 WeakPolarHBondContact CA-OG 3.38Å; D925-S928 PolarHBondContact O-N 2.66Å; D925-S928 PolarHBondContact O-OG 3.44Å; S928-C930 VanDerWaalsContact C-N 3.33Å; S928-C930 PolarHBondContact O-N 3.11Å; S928-R931 PolarHBondContact O-N 3.19Å; S928-A932 PolarHBondContact O-N 3.19Å |
| 929 | Q | 38 | Very low | 34.8 | Very low | 110 Ų | 110 | 112.1 Ų | 112.1 | 51% | 0.514 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64 | -35.1 | 172.9 | -69 | 168.5 | 25.8 | 0 | 0 | 112.2 | D925 R931 A932 H933 | D925-Q929 VanDerWaalsContact O-CB 3.24Å; D925-Q929 WeakPolarHBondContact O-CB 3.22Å; D925-Q929 WeakPolarHBondContact O-CG 3.4Å; D925-Q929 PolarHBondContact O-N 3.21Å; Q929-R931 VanDerWaalsContact C-N 3.26Å; Q929-R931 PolarHBondContact O-N 3.1Å; Q929-A932 PolarHBondContact O-N 3.18Å; Q929-H933 PolarHBondContact O-CD2 2.92Å |
| 930 | C | 31.6 | Very low | 34.4 | Very low | 106 Ų | 106 | 113 Ų | 113 | 72% | 0.716 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.5 | -24.1 | 171.4 | -72.8 | 0 | 0 | 0 | 0 | 113.7 | Q926 Q927 S928 | Q926-C930 WeakPolarHBondContact O-CB 3.33Å; Q926-C930 PolarHBondContact O-N 3.39Å; Q926-C930 PolarHBondContact O-SG 3.38Å; Q927-C930 PolarHBondContact O-N 3.01Å; S928-C930 VanDerWaalsContact C-N 3.33Å; S928-C930 PolarHBondContact O-N 3.11Å |
| 931 | R | 34.3 | Very low | 34 | Very low | 216 Ų | 216 | 113.6 Ų | 113.6 | 82% | 0.815 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -88.1 | -16.1 | 173.4 | -76.4 | -177.3 | 170.6 | 178.2 | -1.9 | 113.7 | Q927 S928 Q929 | Q927-R931 PolarHBondContact O-N 2.99Å; Q927-R931 VanDerWaalsContact O-N 3.13Å; S928-R931 PolarHBondContact O-N 3.19Å; Q929-R931 VanDerWaalsContact C-N 3.26Å; Q929-R931 PolarHBondContact O-N 3.1Å |
| 932 | A | 33.6 | Very low | 33.5 | Very low | 77 Ų | 77 | 119.3 Ų | 119.3 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -86.6 | -3.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S928 Q929 | S928-A932 PolarHBondContact O-N 3.19Å; Q929-A932 PolarHBondContact O-N 3.18Å |
| 933 | H | 31.2 | Very low | 32.9 | Very low | 166 Ų | 166 | 120 Ų | 120 | 77% | 0.769 | 67% | 0.67 | S | S | * | * | trans | -113.7 | 52.7 | -168.7 | -82.2 | -45.3 | 0 | 0 | 0 | 115.7 | Q929 | Q929-H933 PolarHBondContact O-CD2 2.92Š| ||
| 934 | S | 27.3 | Very low | 32.5 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -154.6 | 52.9 | 168.6 | 63.4 | 0 | 0 | 0 | 0 | 118.1 | ||
| 935 | S | 28.8 | Very low | 31.9 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | trans | -173.2 | 107.3 | 146.9 | 42.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 936 | Y | 27.6 | Very low | 31.3 | Very low | 223 Ų | 223 | 129 Ų | 129 | 88% | 0.875 | 71% | 0.708 | S | S | * | * | trans | 175.9 | 146.7 | 150.3 | -97.4 | -55.7 | 0 | 0 | 0 | 109.1 | ||||
| 937 | P | 31.5 | Very low | 30.8 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | -128.5 | 164 | -76.5 | 39.9 | -30 | 0 | 0 | 0 | 114.9 | |||||
| 938 | G | 28.6 | Very low | 30.3 | Very low | 66 Ų | 66 | 132.6 Ų | 132.6 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | trans | 112.5 | 134.7 | 145.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 939 | N | 28.7 | Very low | 29.5 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 94% | 0.936 | 75% | 0.748 | S | S | * | * | trans | 49 | 114.8 | 145.8 | -57.7 | -18.1 | 0 | 0 | 0 | 120.6 | ||||
| 940 | G | 29 | Very low | 29.4 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 145.5 | 118.2 | 134.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 941 | C | 27.9 | Very low | 29.1 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 52.7 | 106.2 | 159.7 | -57.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 942 | E | 26.7 | Very low | 28.6 | Very low | 174 Ų | 174 | 135.2 Ų | 135.2 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | 77.1 | 156.3 | 72.7 | -72.9 | 179.1 | 154.2 | 0 | 0 | 114.5 | |||||
| 943 | I | 28.3 | Very low | 28.3 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | trans | 80.5 | 112.3 | 169.6 | -57.6 | 179.5 | 0 | 0 | 0 | 115.2 | ||||
| 944 | L | 30.2 | Very low | 28.1 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | cis | -155.3 | 147.1 | -6.1 | -100 | 173.2 | 0 | 0 | 0 | 109.5 | ||||
| 945 | E | 27.1 | Very low | 28 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 64% | 0.64 | 72% | 0.721 | S | S | * | * | trans | 52.7 | 140.5 | 145.3 | -71.1 | 176.1 | -152.5 | 0 | 0 | 121.2 | ||||
| 946 | Q | 30.1 | Very low | 27.9 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | cis | -149.9 | 119.2 | 19.8 | -129.1 | 159.6 | 64 | 0 | 0 | 112.1 | ||||
| 947 | H | 29.6 | Very low | 27.9 | Very low | 160 Ų | 160 | 124.5 Ų | 124.5 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | trans | 34 | 107.8 | 136 | -68.5 | -73.3 | 0 | 0 | 0 | 120.7 | ||||
| 948 | L | 28 | Very low | 27.7 | Very low | 172 Ų | 172 | 122.8 Ų | 122.8 | 90% | 0.901 | 71% | 0.709 | S | S | * | * | 178.4 | 129.2 | 94.8 | -98.2 | 154.9 | 0 | 0 | 0 | 113.3 | |||||
| 949 | S | 22.1 | Very low | 27.6 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | -123.4 | -171.9 | 164.7 | 65 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 950 | P | 34.7 | Very low | 27.5 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | -101.1 | 169 | -100.2 | 38.8 | -31.5 | 0 | 0 | 0 | 113.6 | |||||
| 951 | R | 26.8 | Very low | 27.3 | Very low | 227 Ų | 227 | 125.8 Ų | 125.8 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | trans | -141.2 | 140.4 | 150.8 | -124.3 | 175.9 | 178.3 | 163.1 | -0.4 | 110.6 | I953 | R951-I953 HydrophobicContact CB-CD1 4.13Å; R951-I953 HydrophobicContact CG-CD1 3.79Å | ||
| 952 | C | 23.4 | Very low | 27.1 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 60% | 0.595 | 71% | 0.714 | S | S | * | * | trans | -68.3 | -145.1 | -179.7 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | T974 | C952-T974 HydrophobicContact CB-CG2 3.92Š| ||
| 953 | I | 26.8 | Very low | 26.9 | Very low | 56 Ų | 56 | 124.3 Ų | 124.3 | 29% | 0.287 | 71% | 0.705 | S | S | . | * | trans | 125.1 | -101.9 | 152.5 | -50.2 | 136.8 | 0 | 0 | 0 | 108.4 | R951 L972 S973 T974 | R951-I953 HydrophobicContact CB-CD1 4.13Å; R951-I953 HydrophobicContact CG-CD1 3.79Å; I953-L972 HydrophobicContact CB-CB 3.35Å; I953-L972 HydrophobicContact CB-CD2 4.46Å; I953-L972 HydrophobicContact CB-CG 4.29Å; I953-L972 HydrophobicContact CG2-CB 3.32Å; I953-L972 WeakPolarHBondContact CG2-O 3.38Å; I953-S973 VanDerWaalsContact CG2-CA 3.44Å; I953-S973 VanDerWaalsContact CG2-O 3.24Å; I953-S973 WeakPolarHBondContact CG2-O 3.49Å; I953-S973 CarbonylContact O-C 3.46Å; I953-S973 PolarHBondContact O-N 3.41Å; I953-T974 WeakPolarHBondContact CA-OG1 3.35Å; I953-T974 WeakPolarHBondContact CG1-OG1 3.39Å; I953-T974 PolarHBondContact N-OG1 2.85Å; I953-T974 PolarHBondContact O-N 3.2Å | ||
| 954 | H | 26.7 | Very low | 26.7 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 58% | 0.579 | 71% | 0.706 | S | S | * | * | trans | -178.7 | 171.8 | -178.7 | -145.8 | 58.1 | 0 | 0 | 0 | 119.5 | L972 S973 | H954-L972 WeakPolarHBondContact O-CA 3.47Å; H954-L972 VanDerWaalsContact O-CD2 3.28Å; H954-L972 WeakPolarHBondContact O-CD2 3.47Å; H954-L972 VanDerWaalsContact O-CG 3.26Å; H954-L972 WeakPolarHBondContact O-CG 3.34Å; H954-L972 PolarHBondContact O-N 2.89Å; H954-S973 WeakPolarHBondContact CB-OG 3.49Å | ||
| 955 | A | 25.9 | Very low | 26.5 | Very low | 67 Ų | 67 | 125.5 Ų | 125.5 | 55% | 0.554 | 71% | 0.71 | S | S | * | * | trans | 64.3 | 136.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 956 | S | 26.8 | Very low | 26.4 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | trans | 58.7 | 123.2 | 154.8 | 60.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 957 | S | 26.5 | Very low | 26.4 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | 64.3 | 123.4 | 143.4 | 67.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 958 | A | 27.1 | Very low | 26.3 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | 79.1 | 122.4 | 126.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 959 | D | 26.7 | Very low | 26.3 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | 76.3 | 111.4 | 125.6 | -61.6 | -12.6 | 0 | 0 | 0 | 124.3 | |||||
| 960 | A | 28.1 | Very low | 26.7 | Very low | 83 Ų | 83 | 122.8 Ų | 122.8 | 69% | 0.686 | 70% | 0.704 | S | S | * | * | 73 | 110 | 115 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 961 | V | 23.9 | Very low | 26.4 | Very low | 138 Ų | 138 | 125 Ų | 125 | 84% | 0.836 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -141.5 | 129.2 | 137.1 | -166.1 | 0 | 0 | 0 | 0 | 106.4 | ||
| 962 | L | 23.2 | Very low | 26.5 | Very low | 163 Ų | 163 | 118 Ų | 118 | 85% | 0.853 | 69% | 0.685 | S | S | * | * | S | Bend | cis | -100.9 | 153.2 | 2.7 | -73.2 | 82.1 | 0 | 0 | 0 | 110.9 | ||
| 963 | S | 23.5 | Very low | 26.6 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 62% | 0.622 | 68% | 0.681 | S | S | * | * | S | Bend | cis | -143.5 | 149.2 | 5.2 | 74.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 964 | K | 24.5 | Very low | 26.5 | Very low | 183 Ų | 183 | 118.1 Ų | 118.1 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | trans | 74.7 | 95.4 | 166.8 | -57.8 | 176.3 | -177.3 | 172 | 0 | 118.5 | ||||
| 965 | T | 24.3 | Very low | 26.5 | Very low | 125 Ų | 125 | 117.4 Ų | 117.4 | 77% | 0.767 | 70% | 0.698 | S | S | * | * | trans | 64.5 | 128.6 | 133 | 57.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 966 | T | 27 | Very low | 26.6 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 69% | 0.693 | 71% | 0.706 | S | S | * | * | cis | -166.9 | 134.7 | 6 | 8.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 967 | Q | 28 | Very low | 26.5 | Very low | 164 Ų | 164 | 120.9 Ų | 120.9 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | trans | 70.1 | 121.9 | 137.9 | -73.7 | -173.6 | -23.8 | 0 | 0 | 124 | ||||
| 968 | W | 28.8 | Very low | 26.6 | Very low | 214 Ų | 214 | 122.9 Ų | 122.9 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | trans | 103.4 | 87.8 | 132.6 | -80.8 | 45.4 | 0 | 0 | 0 | 123 | ||||
| 969 | T | 27.8 | Very low | 26.5 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 76% | 0.761 | 72% | 0.718 | S | S | * | * | 55.1 | 132.6 | 119.8 | 59.3 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 970 | G | 30.1 | Very low | 26.5 | Very low | 57 Ų | 57 | 128 Ų | 128 | 59% | 0.588 | 72% | 0.716 | S | S | * | * | trans | 140 | 84.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 971 | M | 28.6 | Very low | 26.5 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 80% | 0.798 | 72% | 0.719 | S | S | * | * | 77.7 | 52.2 | 84.1 | -63.5 | -159.4 | 72.1 | 0 | 0 | 120.5 | |||||
| 972 | L | 28.5 | Very low | 26.5 | Very low | 82 Ų | 82 | 130.3 Ų | 130.3 | 43% | 0.429 | 71% | 0.714 | S | S | . | * | 82.9 | 158.2 | 115.3 | -55.3 | 145.5 | 0 | 0 | 0 | 123.8 | I953 H954 | I953-L972 HydrophobicContact CB-CB 3.35Å; I953-L972 HydrophobicContact CB-CD2 4.46Å; I953-L972 HydrophobicContact CB-CG 4.29Å; I953-L972 HydrophobicContact CG2-CB 3.32Å; I953-L972 WeakPolarHBondContact CG2-O 3.38Å; H954-L972 WeakPolarHBondContact O-CA 3.47Å; H954-L972 VanDerWaalsContact O-CD2 3.28Å; H954-L972 WeakPolarHBondContact O-CD2 3.47Å; H954-L972 VanDerWaalsContact O-CG 3.26Å; H954-L972 WeakPolarHBondContact O-CG 3.34Å; H954-L972 PolarHBondContact O-N 2.89Å | |||
| 973 | S | 26.6 | Very low | 26.8 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 50% | 0.503 | 71% | 0.713 | S | S | . | * | trans | -136.5 | -92.1 | 175.8 | 78.3 | 0 | 0 | 0 | 0 | 123.6 | I953 H954 | I953-S973 VanDerWaalsContact CG2-CA 3.44Å; I953-S973 VanDerWaalsContact CG2-O 3.24Å; I953-S973 WeakPolarHBondContact CG2-O 3.49Å; I953-S973 CarbonylContact O-C 3.46Å; I953-S973 PolarHBondContact O-N 3.41Å; H954-S973 WeakPolarHBondContact CB-OG 3.49Å | ||
| 974 | T | 25.4 | Very low | 27.1 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 45% | 0.454 | 72% | 0.716 | S | S | . | * | trans | 67.8 | 132.9 | -176.5 | 41.2 | 0 | 0 | 0 | 0 | 126.3 | C952 I953 | C952-T974 HydrophobicContact CB-CG2 3.92Å; I953-T974 WeakPolarHBondContact CA-OG1 3.35Å; I953-T974 WeakPolarHBondContact CG1-OG1 3.39Å; I953-T974 PolarHBondContact N-OG1 2.85Å; I953-T974 PolarHBondContact O-N 3.2Å | ||
| 975 | S | 26.2 | Very low | 27.6 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | trans | 83.9 | 146.4 | 139.9 | 65.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 976 | C | 27.3 | Very low | 27.9 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 73% | 0.73 | 71% | 0.714 | S | S | * | * | trans | 83.5 | 99.3 | 165.8 | -69 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 977 | D | 25.2 | Very low | 27.9 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | 35.2 | 125.5 | 127.4 | -43.9 | -61 | 0 | 0 | 0 | 122.5 | |||||
| 978 | T | 28.9 | Very low | 28 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 93% | 0.933 | 72% | 0.718 | S | S | * | * | -170.6 | 171.7 | 124.1 | 13.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 979 | Q | 25.1 | Very low | 27.9 | Very low | 161 Ų | 161 | 126.9 Ų | 126.9 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | trans | -100.5 | 173.3 | -167.1 | -62.4 | 168 | -38.1 | 0 | 0 | 114.9 | ||||
| 980 | F | 25 | Very low | 27.9 | Very low | 181 Ų | 181 | 127.1 Ų | 127.1 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | 76.6 | 152.7 | 166 | -60.2 | -86.2 | 0 | 0 | 0 | 118.1 | ||||
| 981 | P | 28.7 | Very low | 27.7 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | cis | -137.9 | -168.8 | -42.4 | 39.7 | -22.8 | 0 | 0 | 0 | 113.4 | ||||
| 982 | E | 25.3 | Very low | 28.1 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | -57.4 | 160.1 | 173.4 | -57.7 | -178.8 | 132.1 | 0 | 0 | 115.5 | ||||
| 983 | P | 29.3 | Very low | 28.1 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -127.5 | 126.3 | 140.7 | 35.3 | -23.9 | 0 | 0 | 0 | 114.4 | ||||
| 984 | I | 28.1 | Very low | 28.1 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -127.3 | 179.6 | 163 | 14 | 170.7 | 0 | 0 | 0 | 107.4 | ||||
| 985 | P | 35.5 | Very low | 28.2 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | cis | -129.3 | -173.7 | -39.8 | 39.2 | -24.3 | 0 | 0 | 0 | 111.6 | ||||
| 986 | F | 30.2 | Very low | 28.3 | Very low | 200 Ų | 200 | 137.4 Ų | 137.4 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -159.9 | 114.4 | 146.8 | -90.2 | -72.3 | 0 | 0 | 0 | 107.8 | ||||
| 987 | S | 28 | Very low | 28.4 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | 68.2 | 138.8 | 83.2 | -49.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 988 | T | 29.6 | Very low | 29.1 | Very low | 139 Ų | 139 | 130 Ų | 130 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | cis | -145.2 | 171.8 | 33.1 | 48.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 989 | E | 26.8 | Very low | 29.2 | Very low | 180 Ų | 180 | 125.6 Ų | 125.6 | 84% | 0.841 | 71% | 0.707 | S | S | * | * | trans | -69.4 | 160.3 | -172.9 | -48.7 | 161.4 | 139.7 | 0 | 0 | 117.4 | ||||
| 990 | C | 27.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 87% | 0.865 | 70% | 0.695 | S | S | * | * | -175.3 | 149.3 | 120.6 | -105.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 991 | S | 25.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 78% | 0.783 | 70% | 0.698 | S | S | * | * | trans | -144.1 | -169.3 | -176.5 | -25.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 992 | P | 37.1 | Very low | 29.8 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | cis | -135.2 | -170.9 | -27.7 | 32.4 | -10.9 | 0 | 0 | 0 | 113.9 | ||||
| 993 | S | 27.6 | Very low | 29.9 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | 118.2 | 141.6 | 126.2 | 79.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 994 | L | 27.6 | Very low | 29.9 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | 80.2 | 97.2 | 143.1 | -77 | 160.3 | 0 | 0 | 0 | 124.3 | ||||
| 995 | S | 27.1 | Very low | 29.9 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | 74.7 | 160.4 | 126.5 | 84.9 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 996 | K | 27.7 | Very low | 29.4 | Very low | 189 Ų | 189 | 125.9 Ų | 125.9 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | cis | -169.5 | 147.6 | -14.1 | -127.2 | -170.6 | 175 | -169.3 | 0 | 111.1 | ||||
| 997 | A | 30.7 | Very low | 29.2 | Very low | 47 Ų | 47 | 121.2 Ų | 121.2 | 39% | 0.388 | 70% | 0.702 | S | S | . | * | trans | 66 | 159.3 | 141.7 | 0 | 0 | 0 | 0 | 0 | 122 | V1228 L1229 P1230 | A997-V1228 WeakPolarHBondContact CA-O 3.42Å; A997-L1229 VanDerWaalsContact CA-O 3.31Å; A997-L1229 WeakPolarHBondContact CA-O 3.49Å; A997-L1229 PolarHBondContact N-O 3.34Å; A997-L1229 VanDerWaalsContact N-O 3.13Å; A997-P1230 WeakPolarHBondContact O-CD 3.44Å | ||
| 998 | P | 39.8 | Very low | 29.2 | Very low | 39 Ų | 39 | 122.7 Ų | 122.7 | 25% | 0.253 | 70% | 0.703 | S | S | . | * | trans | -141.5 | -151.5 | -158 | 42.3 | -19.2 | 0 | 0 | 0 | 114.6 | V1228 L1229 P1230 | P998-V1228 VanDerWaalsContact CD-O 3.27Å; P998-V1228 WeakPolarHBondContact CD-O 3.2Å; P998-V1228 VanDerWaalsContact CG-C 3.41Å; P998-V1228 HydrophobicContact CG-CB 3.93Å; P998-V1228 HydrophobicContact CG-CG1 3.75Å; P998-V1228 WeakPolarHBondContact CG-O 3.49Å; P998-L1229 HydrophobicContact CB-CB 3.75Å; P998-L1229 HydrophobicContact CB-CD1 3.93Å; P998-L1229 HydrophobicContact CB-CG 4.43Å; P998-L1229 HydrophobicContact CG-CB 3.7Å; P998-L1229 HydrophobicContact CG-CD1 3.92Å; P998-L1229 HydrophobicContact CG-CG 4.21Å; P998-P1230 HydrophobicContact CB-CB 4.45Å; P998-P1230 HydrophobicContact CB-CG 3.78Å | ||
| 999 | D | 29.7 | Very low | 29 | Very low | 58 Ų | 58 | 121.9 Ų | 121.9 | 31% | 0.31 | 69% | 0.693 | S | S | . | * | 173.4 | 156.6 | 111.6 | -85.7 | -50.4 | 0 | 0 | 0 | 116.1 | R1227 | D999-R1227 WeakPolarHBondContact OD1-CG 3.39Å; D999-R1227 IonicContact OD1-NE 3.34Å; D999-R1227 WeakPolarHBondContact OD2-CB 3.49Å; D999-R1227 WeakPolarHBondContact OD2-CD 3.4Å; D999-R1227 WeakPolarHBondContact OD2-CG 3.42Å; D999-R1227 IonicContact OD2-CZ 3.65Å; D999-R1227 IonicContact OD2-NE 3.75Å; D999-R1227 PolarHBondContact OD2-NE 3.32Å; D999-R1227 VanDerWaalsContact OD2-NE 3.11Å; D999-R1227 IonicContact OD2-NH1 3.11Å; D999-R1227 PolarHBondContact OD2-NH1 3.5Å; D999-R1227 IonicContact OD2-NH2 2.77Å | |||
| 1000 | D | 29.5 | Very low | 29.2 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 51% | 0.508 | 70% | 0.696 | S | S | . | * | trans | 43.9 | 116.4 | 141.4 | -65.3 | -30.2 | 0 | 0 | 0 | 124.3 | R1227 | D1000-R1227 IonicContact OD2-CZ 2.69Å; D1000-R1227 IonicContact OD2-NE 3.47Å; D1000-R1227 IonicContact OD2-NH2 2.7Å; D1000-R1227 PolarHBondContact OD2-NH2 3.35Å | ||
| 1001 | Q | 29.1 | Very low | 29.2 | Very low | 182 Ų | 182 | 122.7 Ų | 122.7 | 85% | 0.85 | 69% | 0.688 | S | S | * | * | 100.8 | 146.6 | 120.4 | -78.3 | -165.5 | -57.6 | 0 | 0 | 122.8 | |||||
| 1002 | P | 34.2 | Very low | 29.3 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -104.8 | 178.4 | -174.1 | 43.2 | -36.1 | 0 | 0 | 0 | 113.2 | ||||
| 1003 | D | 27.4 | Very low | 28.7 | Very low | 153 Ų | 153 | 120.6 Ų | 120.6 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -148.3 | 162.1 | 153.9 | -133.9 | -30.3 | 0 | 0 | 0 | 113.5 | ||||
| 1004 | H | 27.6 | Very low | 28.7 | Very low | 157 Ų | 157 | 118.8 Ų | 118.8 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | trans | -73.7 | 154.9 | -170.8 | -67.1 | -103.6 | 0 | 0 | 0 | 115.2 | ||||
| 1005 | T | 27.9 | Very low | 28.5 | Very low | 140 Ų | 140 | 115.3 Ų | 115.3 | 86% | 0.859 | 64% | 0.641 | S | S | * | * | -178.4 | 148.4 | 109.1 | 23.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1006 | D | 25.6 | Very low | 28.5 | Very low | 142 Ų | 142 | 114.7 Ų | 114.7 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | trans | -74.1 | 157.4 | 176.6 | -44.3 | -95.7 | 0 | 0 | 0 | 111.4 | ||||
| 1007 | S | 27.1 | Very low | 28.3 | Very low | 103 Ų | 103 | 113.2 Ų | 113.2 | 72% | 0.72 | 64% | 0.643 | S | S | * | * | 171.3 | 152.9 | 72.4 | 40.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1008 | N | 26.4 | Very low | 28 | Very low | 129 Ų | 129 | 117.3 Ų | 117.3 | 69% | 0.69 | 66% | 0.663 | S | S | * | * | trans | 74.1 | 128.5 | 143.2 | -80.2 | 51.9 | 0 | 0 | 0 | 123.9 | ||||
| 1009 | D | 26.4 | Very low | 27.2 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 65% | 0.652 | 69% | 0.685 | S | S | * | * | trans | 66.7 | 107.2 | 138.2 | -52.3 | -27.1 | 0 | 0 | 0 | 120.6 | ||||
| 1010 | H | 31.1 | Very low | 27 | Very low | 193 Ų | 193 | 122.8 Ų | 122.8 | 89% | 0.894 | 70% | 0.7 | S | S | * | * | -156.3 | 153.6 | 96.1 | -97.3 | -60 | 0 | 0 | 0 | 113.3 | |||||
| 1011 | N | 26.8 | Very low | 26.7 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -75.4 | 173.5 | -179.3 | -73.6 | -47.7 | 0 | 0 | 0 | 113.7 | I771 | I771-N1011 HydrophobicContact CD1-CB 4.4Š| ||
| 1012 | F | 28 | Very low | 26.6 | Very low | 153 Ų | 153 | 120 Ų | 120 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | trans | 111.5 | 138 | 163.9 | -69.2 | -79.9 | 0 | 0 | 0 | 115.1 | S770 I771 | S770-F1012 WeakPolarHBondContact O-CD1 3.46Å; S770-F1012 WeakPolarHBondContact O-CE1 3.47Å; I771-F1012 HydrophobicContact CD1-CD1 4.04Å; I771-F1012 HydrophobicContact CD1-CE1 4.38Å; I771-F1012 HydrophobicContact CD1-CG 4.44Å; I771-F1012 HydrophobicContact CG1-CD1 3.58Å; I771-F1012 HydrophobicContact CG1-CE1 3.82Å; I771-F1012 HydrophobicContact CG1-CG 4.42Å | ||
| 1013 | S | 24.7 | Very low | 26.1 | Very low | 29 Ų | 29 | 118.9 Ų | 118.9 | 20% | 0.203 | 69% | 0.689 | C | S | . | * | trans | -174.3 | 177.9 | -153.9 | 40.4 | 0 | 0 | 0 | 0 | 110.2 | S770 I771 M772 | S770-S1013 CarbonylContact C-O 3.49Å; S770-S1013 WeakPolarHBondContact CA-O 3.4Å; S770-S1013 WeakPolarHBondContact CB-O 3.4Å; S770-S1013 PolarHBondContact OG-O 2.85Å; S770-S1013 VanDerWaalsContact OG-O 3.11Å; I771-S1013 CarbonylContact C-O 3.52Å; I771-S1013 WeakPolarHBondContact CA-O 3.37Å; I771-S1013 PolarHBondContact N-O 3.33Å; M772-S1013 WeakPolarHBondContact CB-OG 3.49Å; M772-S1013 PolarHBondContact N-OG 3.34Å; M772-S1013 VanDerWaalsContact SD-CB 3.51Å | ||
| 1014 | A | 27.6 | Very low | 25.9 | Very low | 64 Ų | 64 | 115.9 Ų | 115.9 | 53% | 0.529 | 68% | 0.68 | S | S | . | * | trans | -166.2 | 164.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1015 | A | 24.1 | Very low | 25.7 | Very low | 77 Ų | 77 | 113.6 Ų | 113.6 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | trans | -101.3 | 136.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1016 | A | 27 | Very low | 25.7 | Very low | 92 Ų | 92 | 114 Ų | 114 | 76% | 0.76 | 67% | 0.672 | S | S | * | * | trans | -153.6 | 94.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | V1018 | A1016-V1018 PolarHBondContact O-N 3.05Š| ||
| 1017 | N | 23.5 | Very low | 25.7 | Very low | 159 Ų | 159 | 112.2 Ų | 112.2 | 85% | 0.85 | 67% | 0.671 | S | S | * | * | trans | -75.5 | 111.9 | -179.5 | -73.9 | -8.9 | 0 | 0 | 0 | 109.6 | ||||
| 1018 | V | 24.8 | Very low | 25.6 | Very low | 132 Ų | 132 | 112.4 Ų | 112.4 | 80% | 0.8 | 67% | 0.672 | S | S | * | * | trans | -118.9 | 91.1 | 170.1 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | A1016 P1020 | A1016-V1018 PolarHBondContact O-N 3.05Å; V1018-P1020 WeakPolarHBondContact O-CD 3.25Å | ||
| 1019 | T | 23.6 | Very low | 25.5 | Very low | 115 Ų | 115 | 111.6 Ų | 111.6 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | trans | -72.2 | 117.9 | 174.4 | 41.2 | 0 | 0 | 0 | 0 | 110 | V1021 | T1019-V1021 PolarHBondContact O-N 2.93Å; T1019-V1021 VanDerWaalsContact O-N 3.09Å | ||
| 1020 | P | 25.2 | Very low | 25.4 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | trans | -75.6 | 101.3 | 177 | 30.4 | -32.8 | 0 | 0 | 0 | 109.9 | V1018 M1022 | V1018-P1020 WeakPolarHBondContact O-CD 3.25Å; P1020-M1022 PolarHBondContact O-N 3.03Å | ||
| 1021 | V | 23 | Very low | 25.2 | Very low | 135 Ų | 135 | 106.6 Ų | 106.6 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | -61.5 | 121.5 | 173.4 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | T1019 | T1019-V1021 PolarHBondContact O-N 2.93Å; T1019-V1021 VanDerWaalsContact O-N 3.09Å | ||
| 1022 | M | 25.6 | Very low | 25 | Very low | 82 Ų | 82 | 104.6 Ų | 104.6 | 40% | 0.404 | 67% | 0.665 | S | S | . | * | trans | -138 | 115 | 167.4 | -85.1 | -175.6 | 56.2 | 0 | 0 | 109.5 | P1020 K1320 R1353 | P1020-M1022 PolarHBondContact O-N 3.03Å; M1022-K1320 HydrophobicContact CE-CB 3.92Å; M1022-K1320 HydrophobicContact CE-CD 3.86Å; M1022-K1320 HydrophobicContact CE-CG 3.66Å; M1022-K1320 HydrophobicContact CG-CG 4.38Å; M1022-K1320 HydrophobicContact SD-CG 4.11Å; M1022-R1353 PolarHBondContact SD-NH1 3.11Å; M1022-R1353 VanDerWaalsContact SD-NH1 3.43Å | ||
| 1023 | S | 23.7 | Very low | 25 | Very low | 90 Ų | 90 | 102.3 Ų | 102.3 | 63% | 0.629 | 67% | 0.668 | S | S | * | * | trans | -74.9 | 121.4 | 169.7 | 44.6 | 0 | 0 | 0 | 0 | 111.6 | K1320 | S1023-K1320 PolarHBondContact O-NZ 3.34Š| ||
| 1024 | S | 25.1 | Very low | 24.9 | Very low | 90 Ų | 90 | 107.3 Ų | 107.3 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | trans | 174.8 | 142.5 | 148.6 | 51.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1025 | C | 23.4 | Very low | 24.9 | Very low | 108 Ų | 108 | 109.7 Ų | 109.7 | 73% | 0.73 | 71% | 0.711 | S | S | * | * | trans | -60.4 | 142.9 | -174.6 | -51.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1026 | H | 27.2 | Very low | 24.8 | Very low | 149 Ų | 149 | 114.7 Ų | 114.7 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | trans | -159.4 | 130.9 | 143.4 | -101.3 | -55.8 | 0 | 0 | 0 | 111.3 | ||||
| 1027 | S | 25.6 | Very low | 24.7 | Very low | 105 Ų | 105 | 116.4 Ų | 116.4 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -80.3 | 145 | -176.3 | -49.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1028 | S | 25 | Very low | 24.6 | Very low | 107 Ų | 107 | 113.4 Ų | 113.4 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | 45.1 | 87.7 | 147.3 | -56 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1029 | C | 23.7 | Very low | 24.6 | Very low | 111 Ų | 111 | 116.1 Ų | 116.1 | 75% | 0.75 | 72% | 0.723 | S | S | * | * | trans | -132 | 73.2 | 167 | -89.6 | 0 | 0 | 0 | 0 | 112.5 | A1031 | C1029-A1031 PolarHBondContact O-N 2.9Š| ||
| 1030 | S | 25.1 | Very low | 24.6 | Very low | 125 Ų | 125 | 115.3 Ų | 115.3 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | trans | -75.4 | 82.6 | 176.6 | -62.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1031 | A | 26.4 | Very low | 24.6 | Very low | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | trans | 22.5 | 108.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | C1029 | C1029-A1031 PolarHBondContact O-N 2.9Š| ||
| 1032 | L | 23.2 | Very low | 24.7 | Very low | 90 Ų | 90 | 114.8 Ų | 114.8 | 47% | 0.471 | 72% | 0.722 | S | S | . | * | trans | -102.4 | 90.1 | 159.3 | -101.5 | 171.8 | 0 | 0 | 0 | 111.1 | L1422 | L1032-L1422 HydrophobicContact CB-CD1 4.18Š| ||
| 1033 | S | 27 | Very low | 24.6 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | -147.3 | 121.4 | 171.8 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1034 | T | 23.2 | Very low | 24.6 | Very low | 135 Ų | 135 | 118.6 Ų | 118.6 | 83% | 0.828 | 75% | 0.748 | S | S | * | * | trans | -131.6 | 123 | -176.6 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1035 | S | 26.4 | Very low | 24.6 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -171.2 | 111.3 | 151.4 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1036 | E | 23.6 | Very low | 24.6 | Very low | 183 Ų | 183 | 118.1 Ų | 118.1 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | trans | 38.1 | 110.6 | 130.5 | -55.9 | -178.8 | 148.5 | 0 | 0 | 121.1 | ||||
| 1037 | C | 24.1 | Very low | 24.4 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | 177.8 | 168.9 | 121.7 | -99.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1038 | S | 22.5 | Very low | 24.2 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | cis | -175.9 | 96.1 | -49.9 | -96.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1039 | M | 23.4 | Very low | 24.2 | Very low | 189 Ų | 189 | 119 Ų | 119 | 93% | 0.931 | 73% | 0.732 | S | S | * | * | trans | 67.6 | 162.1 | 175.9 | -30.5 | -155.1 | 85.8 | 0 | 0 | 114.6 | ||||
| 1040 | S | 24.3 | Very low | 24 | Very low | 99 Ų | 99 | 119 Ų | 119 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | cis | -149.9 | 155.6 | 6.2 | 77.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1041 | S | 24.5 | Very low | 24.5 | Very low | 103 Ų | 103 | 117.1 Ų | 117.1 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | trans | 84.4 | 144.6 | 151.7 | 83.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1042 | V | 24.7 | Very low | 24.4 | Very low | 118 Ų | 118 | 117.8 Ų | 117.8 | 72% | 0.715 | 70% | 0.7 | S | S | * | * | trans | 55.4 | 120.2 | 163.5 | -84.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1043 | H | 25.3 | Very low | 24.7 | Very low | 179 Ų | 179 | 120.3 Ų | 120.3 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | 70 | 75.1 | 150.2 | -58.6 | 119.8 | 0 | 0 | 0 | 121.5 | ||||
| 1044 | G | 23.1 | Very low | 24.6 | Very low | 74 Ų | 74 | 121.1 Ų | 121.1 | 76% | 0.763 | 71% | 0.708 | S | S | * | * | 75 | 149.9 | 110.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1045 | A | 24.2 | Very low | 24.7 | Very low | 84 Ų | 84 | 122.2 Ų | 122.2 | 69% | 0.694 | 71% | 0.707 | S | S | * | * | trans | 63.4 | 150 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1046 | H | 23.8 | Very low | 24.7 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 48% | 0.481 | 70% | 0.697 | S | S | . | * | cis | -165 | 148.6 | -33.6 | -144.2 | -136.4 | 0 | 0 | 0 | 106.9 | K1601 | H1046-K1601 WeakPolarHBondContact CE1-CD 3.36Å; H1046-K1601 PolarHBondContact CE1-NZ 3.09Å; H1046-K1601 PolarHBondContact NE2-NZ 2.75Å | ||
| 1047 | F | 23.4 | Very low | 24.9 | Very low | 184 Ų | 184 | 118 Ų | 118 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -64.3 | 155.5 | 151.7 | -128.5 | -98.2 | 0 | 0 | 0 | 108.6 | ||
| 1048 | L | 22.3 | Very low | 25.2 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 38% | 0.377 | 68% | 0.683 | S | S | . | * | S | Bend | trans | 104.4 | 124 | 173.9 | -59.2 | 158.1 | 0 | 0 | 0 | 116.1 | G1568 K1601 | L1048-G1568 WeakPolarHBondContact CD2-O 3.42Å; L1048-K1601 HydrophobicContact CD1-CD 4.2Å |
| 1049 | C | 23.2 | Very low | 25.4 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 82% | 0.824 | 69% | 0.688 | S | S | * | * | trans | -40.3 | 132.2 | 148.1 | 170.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1050 | R | 21.1 | Very low | 25.7 | Very low | 112 Ų | 112 | 116.6 Ų | 116.6 | 42% | 0.423 | 68% | 0.679 | S | S | . | * | trans | -157.1 | 105.2 | 165.1 | -157.1 | 167.7 | -145.3 | 144.3 | 18.2 | 115.7 | K1601 G1602 | R1050-K1601 PolarHBondContact NH1-O 2.83Å; R1050-K1601 PolarHBondContact NH2-O 3.17Å; R1050-G1602 PolarHBondContact NH2-O 2.84Å | ||
| 1051 | A | 34.2 | Very low | 25.8 | Very low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | trans | -62.6 | 142.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1052 | N | 25.3 | Very low | 26 | Very low | 99 Ų | 99 | 118.5 Ų | 118.5 | 53% | 0.529 | 68% | 0.679 | S | S | . | * | trans | -169.2 | 149.8 | 162.8 | -87.9 | -36 | 0 | 0 | 0 | 110.4 | K1634 | N1052-K1634 WeakPolarHBondContact OD1-CE 3.08Å; N1052-K1634 PolarHBondContact OD1-NZ 2.95Å | ||
| 1053 | K | 28.2 | Very low | 26.1 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 62% | 0.622 | 68% | 0.684 | S | S | * | * | cis | 178.6 | 129.8 | -16.9 | -172 | -167.6 | -175.9 | -148 | 0 | 111.1 | ||||
| 1054 | T | 26 | Very low | 26.5 | Very low | 122 Ų | 122 | 117.2 Ų | 117.2 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | trans | -164.1 | 116 | 151.6 | 24.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1055 | I | 25.6 | Very low | 26.6 | Very low | 157 Ų | 157 | 117.7 Ų | 117.7 | 81% | 0.805 | 68% | 0.676 | S | S | * | * | 79.7 | 126.1 | 102.7 | -70.8 | 176.5 | 0 | 0 | 0 | 112.4 | |||||
| 1056 | S | 26.6 | Very low | 26.6 | Very low | 84 Ų | 84 | 120.8 Ų | 120.8 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | cis | -173.1 | 154 | -4.9 | 177.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1057 | T | 27.7 | Very low | 26.6 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 77% | 0.767 | 69% | 0.693 | S | S | * | * | trans | 62.7 | 145.9 | 149.1 | 38.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1058 | S | 29 | Very low | 26.7 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | cis | 173.9 | 159.5 | -18.2 | 50.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1059 | V | 27.5 | Very low | 26.8 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | 73.9 | 146.1 | 147.7 | 160.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 1060 | E | 29.5 | Very low | 26.8 | Very low | 162 Ų | 162 | 127.8 Ų | 127.8 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | cis | -175 | 165.7 | -29 | -94.7 | -152.9 | -118 | 0 | 0 | 107.3 | ||||
| 1061 | S | 27.2 | Very low | 26.9 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | cis | -171.4 | -127.3 | -25.2 | 65.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1062 | I | 28.9 | Very low | 26.5 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | trans | 76.4 | 93.2 | 166.2 | -47 | -175.5 | 0 | 0 | 0 | 120.2 | ||||
| 1063 | L | 26.4 | Very low | 26.5 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | trans | -28.8 | 177.3 | 144.1 | -72.4 | 152 | 0 | 0 | 0 | 119.1 | ||||
| 1064 | P | 32.8 | Very low | 26.3 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | cis | -137.4 | 177.2 | -26.8 | 36.1 | -18.3 | 0 | 0 | 0 | 114.8 | ||||
| 1065 | A | 25.2 | Very low | 26.4 | Very low | 84 Ų | 84 | 130 Ų | 130 | 69% | 0.694 | 72% | 0.717 | S | S | * | * | 153.6 | 136 | 114.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1066 | L | 24.3 | Very low | 26.4 | Very low | 149 Ų | 149 | 126.8 Ų | 126.8 | 78% | 0.78 | 70% | 0.704 | S | S | * | * | trans | 71 | 93.9 | 148.1 | -66.4 | 165.1 | 0 | 0 | 0 | 122.1 | ||||
| 1067 | N | 24.6 | Very low | 26.3 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | 92.2 | 145.1 | 126.1 | -67 | -2.5 | 0 | 0 | 0 | 122.3 | |||||
| 1068 | S | 25.2 | Very low | 26.3 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | 67.4 | 79.7 | 167.3 | 26.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1069 | Y | 24.4 | Very low | 26.4 | Very low | 237 Ų | 237 | 132.4 Ų | 132.4 | 93% | 0.929 | 72% | 0.724 | S | S | * | * | trans | 49.6 | 92.9 | 141.2 | -65.9 | -76.5 | 0 | 0 | 0 | 118.7 | ||||
| 1070 | D | 22.4 | Very low | 26.4 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | -144.2 | 176.9 | 151.6 | -143.2 | -23.2 | 0 | 0 | 0 | 111.3 | ||||
| 1071 | Y | 24.2 | Very low | 26.3 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | trans | -48.5 | 176.5 | -164.9 | -84.1 | -153.5 | 0 | 0 | 0 | 120.9 | Q1102 | Y1071-Q1102 HydrophobicContact CD1-CB 3.59Å; Y1071-Q1102 HydrophobicContact CD1-CG 3.73Å; Y1071-Q1102 HydrophobicContact CE1-CB 3.54Å; Y1071-Q1102 HydrophobicContact CE1-CG 3.65Å; Y1071-Q1102 VanDerWaalsContact CE1-O 3.25Å; Y1071-Q1102 WeakPolarHBondContact CE1-O 3.32Å; Y1071-Q1102 HydrophobicContact CG-CG 4.38Å; Y1071-Q1102 PolarHBondContact OH-O 3.44Å | ||
| 1072 | G | 25.1 | Very low | 26.3 | Very low | 61 Ų | 61 | 131.7 Ų | 131.7 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | trans | 124.6 | 86.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1073 | L | 26.2 | Very low | 26.1 | Very low | 93 Ų | 93 | 129.7 Ų | 129.7 | 49% | 0.487 | 74% | 0.736 | S | S | . | * | 43 | 118.3 | 82 | -86.5 | 166.8 | 0 | 0 | 0 | 116.6 | Q1102 | L1073-Q1102 HydrophobicContact CD1-CB 3.84Å; L1073-Q1102 HydrophobicContact CG-CB 4.41Å | |||
| 1074 | E | 23.8 | Very low | 26.2 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | 165.6 | 102.7 | 129.3 | -97.2 | -166.2 | -173.2 | 0 | 0 | 111.8 | |||||
| 1075 | K | 27.2 | Very low | 25.9 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | trans | -178.9 | 147.2 | 135.8 | -105.8 | 152.3 | -136.6 | 62.3 | 0 | 115.6 | ||||
| 1076 | T | 26.2 | Very low | 26.1 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 55% | 0.546 | 73% | 0.732 | S | S | . | * | trans | 62.2 | 56.9 | 151.8 | 47.1 | 0 | 0 | 0 | 0 | 119.5 | D1078 | T1076-D1078 VanDerWaalsContact C-N 3.35Å; T1076-D1078 HydrophobicContact CG2-CB 4.32Å; T1076-D1078 PolarHBondContact O-N 3.37Å | ||
| 1077 | S | 25.1 | Very low | 26.4 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 90% | 0.895 | 72% | 0.722 | S | S | * | * | trans | -68.7 | 89 | 139.7 | 43.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1078 | D | 27.6 | Very low | 26.7 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | trans | -144.3 | 40.9 | -165 | -128 | -22.8 | 0 | 0 | 0 | 114.1 | T1076 | T1076-D1078 VanDerWaalsContact C-N 3.35Å; T1076-D1078 HydrophobicContact CG2-CB 4.32Å; T1076-D1078 PolarHBondContact O-N 3.37Å | ||
| 1079 | I | 30.3 | Very low | 27.1 | Very low | 162 Ų | 162 | 126.3 Ų | 126.3 | 83% | 0.831 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -140.9 | -12.8 | -173.7 | -107.2 | 158.8 | 0 | 0 | 0 | 118 | ||
| 1080 | L | 27.5 | Very low | 27.4 | Very low | 162 Ų | 162 | 117.3 Ų | 117.3 | 85% | 0.848 | 67% | 0.671 | S | S | * | * | trans | -118.1 | 21.2 | -172 | -78.3 | 175 | 0 | 0 | 0 | 117.3 | ||||
| 1081 | G | 27.8 | Very low | 28 | Very low | 74 Ų | 74 | 111.5 Ų | 111.5 | 76% | 0.763 | 64% | 0.64 | S | S | * | * | trans | -93.4 | 117.1 | 162 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1082 | P | 26.3 | Very low | 28.2 | Very low | 124 Ų | 124 | 109.8 Ų | 109.8 | 81% | 0.805 | 64% | 0.64 | S | S | * | * | S | Bend | cis | -140.3 | 116.1 | 46.7 | 35.5 | -15.7 | 0 | 0 | 0 | 115.9 | ||
| 1083 | C | 25.4 | Very low | 28.7 | Very low | 114 Ų | 114 | 111.8 Ų | 111.8 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 178.2 | 74.9 | 151.6 | -97.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1084 | I | 27.6 | Very low | 29.1 | Very low | 140 Ų | 140 | 111.5 Ų | 111.5 | 72% | 0.718 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -167.3 | 138.6 | 161.3 | -92.8 | 136.5 | 0 | 0 | 0 | 105 | ||
| 1085 | D | 28.4 | Very low | 29.5 | Very low | 123 Ų | 123 | 107.6 Ų | 107.6 | 66% | 0.658 | 63% | 0.63 | S | S | * | * | trans | -88.2 | 151 | -179.4 | -140.3 | -34.3 | 0 | 0 | 0 | 112.3 | S1087 | D1085-S1087 VanDerWaalsContact C-N 3.33Å; D1085-S1087 PolarHBondContact O-N 3.41Å | ||
| 1086 | S | 28.1 | Very low | 29.8 | Very low | 112 Ų | 112 | 104.3 Ų | 104.3 | 78% | 0.783 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 14.8 | -154.1 | -167.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1087 | S | 32 | Very low | 30 | Very low | 80 Ų | 80 | 104.2 Ų | 104.2 | 56% | 0.559 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -17.7 | -175.1 | 53.5 | 0 | 0 | 0 | 0 | 115.2 | D1085 S1090 N1091 | D1085-S1087 VanDerWaalsContact C-N 3.33Å; D1085-S1087 PolarHBondContact O-N 3.41Å; S1087-S1090 PolarHBondContact O-OG 3.22Å; S1087-S1090 VanDerWaalsContact O-OG 3.14Å; S1087-N1091 PolarHBondContact O-OD1 2.96Å |
| 1088 | Y | 30.5 | Very low | 30.4 | Very low | 109 Ų | 109 | 105 Ų | 105 | 43% | 0.427 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -85.6 | -34.5 | -172.9 | -151.8 | -100.5 | 0 | 0 | 0 | 113.1 | G827 G828 S829 | G827-Y1088 WeakPolarHBondContact O-CE2 3.47Å; G828-Y1088 PolarHBondContact O-OH 2.97Å; G828-Y1088 VanDerWaalsContact O-OH 3.1Å; S829-Y1088 WeakPolarHBondContact CB-OH 3.29Å; S829-Y1088 PolarHBondContact N-OH 3.39Å; S829-Y1088 PolarHBondContact OG-OH 3.46Å |
| 1089 | L | 32.4 | Very low | 30.6 | Very low | 114 Ų | 114 | 103.9 Ų | 103.9 | 60% | 0.597 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -84.6 | -5 | -177.8 | -81.1 | 166.9 | 0 | 0 | 0 | 114.8 | L1092 V1093 | L1089-L1092 HydrophobicContact CD2-CD2 4.46Å; L1089-V1093 WeakPolarHBondContact O-CG2 3.44Å |
| 1090 | S | 32 | Very low | 30.8 | Very low | 48 Ų | 48 | 101.4 Ų | 101.4 | 34% | 0.336 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -77.9 | -47 | 169.3 | 44.9 | 0 | 0 | 0 | 0 | 111.4 | S1087 L1092 V1093 D1094 | S1087-S1090 PolarHBondContact O-OG 3.22Å; S1087-S1090 VanDerWaalsContact O-OG 3.14Å; S1090-L1092 VanDerWaalsContact C-N 3.29Å; S1090-L1092 PolarHBondContact O-N 3.17Å; S1090-V1093 PolarHBondContact O-N 2.97Å; S1090-D1094 PolarHBondContact O-N 2.96Å; S1090-D1094 VanDerWaalsContact O-N 3.07Å |
| 1091 | N | 34 | Very low | 30.9 | Very low | 24 Ų | 24 | 99.8 Ų | 99.8 | 13% | 0.128 | 62% | 0.622 | C | S | . | * | H | α-helix | trans | -67.2 | -35.4 | -171.5 | -52.9 | 2.2 | 0 | 0 | 0 | 110.7 | I825 S826 S1087 V1093 D1094 S1095 | I825-N1091 VanDerWaalsContact CG2-ND2 3.27Å; I825-N1091 WeakPolarHBondContact CG2-ND2 3.43Å; S826-N1091 PolarHBondContact O-ND2 3.43Å; S1087-N1091 PolarHBondContact O-OD1 2.96Å; N1091-V1093 PolarHBondContact O-N 2.91Å; N1091-D1094 PolarHBondContact O-N 3.49Å; N1091-S1095 WeakPolarHBondContact O-CB 3.38Å; N1091-S1095 PolarHBondContact O-N 3.24Å; N1091-S1095 PolarHBondContact O-OG 3.21Å; N1091-S1095 VanDerWaalsContact O-OG 3.04Å |
| 1092 | L | 29.8 | Very low | 30.9 | Very low | 107 Ų | 107 | 99.8 Ų | 99.8 | 56% | 0.56 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.6 | -13.3 | 174.9 | -159.9 | 69.8 | 0 | 0 | 0 | 114.2 | L1089 S1090 | L1089-L1092 HydrophobicContact CD2-CD2 4.46Å; S1090-L1092 VanDerWaalsContact C-N 3.29Å; S1090-L1092 PolarHBondContact O-N 3.17Å |
| 1093 | V | 35.3 | Very low | 31 | Very low | 104 Ų | 104 | 98.2 Ų | 98.2 | 63% | 0.63 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -101.7 | -29.8 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | L1089 S1090 N1091 | L1089-V1093 WeakPolarHBondContact O-CG2 3.44Å; S1090-V1093 PolarHBondContact O-N 2.97Å; N1091-V1093 PolarHBondContact O-N 2.91Å |
| 1094 | D | 33.6 | Very low | 31.1 | Very low | 87 Ų | 87 | 99.5 Ų | 99.5 | 47% | 0.465 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -80.6 | -16.6 | 174.3 | -72.2 | -20.4 | 0 | 0 | 0 | 112.8 | S824 S1090 N1091 | S824-D1094 WeakPolarHBondContact CB-OD2 3.29Å; S824-D1094 PolarHBondContact OG-OD2 3.21Å; S1090-D1094 PolarHBondContact O-N 2.96Å; S1090-D1094 VanDerWaalsContact O-N 3.07Å; N1091-D1094 PolarHBondContact O-N 3.49Å |
| 1095 | S | 32.7 | Very low | 31 | Very low | 84 Ų | 84 | 99.6 Ų | 99.6 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -94.4 | -17.5 | 179.3 | 66.7 | 0 | 0 | 0 | 0 | 115.2 | N1091 | N1091-S1095 WeakPolarHBondContact O-CB 3.38Å; N1091-S1095 PolarHBondContact O-N 3.24Å; N1091-S1095 PolarHBondContact O-OG 3.21Å; N1091-S1095 VanDerWaalsContact O-OG 3.04Å |
| 1096 | V | 33.1 | Very low | 30.9 | Very low | 76 Ų | 76 | 101.1 Ų | 101.1 | 46% | 0.461 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -113.3 | 98.2 | -176.8 | -174 | 0 | 0 | 0 | 0 | 109.3 | L1098 | V1096-L1098 HydrophobicContact CG1-CD1 4.16Å; V1096-L1098 PolarHBondContact O-N 3.31Å |
| 1097 | G | 31.5 | Very low | 30.7 | Very low | 87 Ų | 87 | 101.8 Ų | 101.8 | 90% | 0.897 | 60% | 0.603 | S | S | * | * | trans | -71.2 | 45.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1098 | L | 33.4 | Very low | 30.6 | Very low | 144 Ų | 144 | 102.5 Ų | 102.5 | 75% | 0.754 | 61% | 0.614 | S | S | * | * | trans | -114.7 | 129.7 | -174.6 | -83.2 | 164.9 | 0 | 0 | 0 | 113.3 | V1096 | V1096-L1098 HydrophobicContact CG1-CD1 4.16Å; V1096-L1098 PolarHBondContact O-N 3.31Å | ||
| 1099 | P | 30.4 | Very low | 30.3 | Very low | 106 Ų | 106 | 101.3 Ų | 101.3 | 69% | 0.688 | 64% | 0.635 | S | S | * | * | trans | -87.5 | 129 | -178.3 | 32.9 | -33.3 | 0 | 0 | 0 | 113.8 | ||||
| 1100 | T | 34.6 | Very low | 30.1 | Very low | 111 Ų | 111 | 103.6 Ų | 103.6 | 68% | 0.681 | 65% | 0.647 | S | S | * | * | trans | 73.2 | 153.5 | 169 | 74.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1101 | T | 29.1 | Very low | 29.9 | Very low | 128 Ų | 128 | 107.7 Ų | 107.7 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -108.6 | 37.1 | -147.9 | -24.6 | 0 | 0 | 0 | 0 | 114 | ||
| 1102 | Q | 28.3 | Very low | 29.8 | Very low | 74 Ų | 74 | 114.1 Ų | 114.1 | 35% | 0.346 | 69% | 0.694 | S | S | . | * | trans | -136.7 | 36.6 | -154.4 | -164.7 | 171.5 | -18.2 | 0 | 0 | 115 | Y1071 L1073 | Y1071-Q1102 HydrophobicContact CD1-CB 3.59Å; Y1071-Q1102 HydrophobicContact CD1-CG 3.73Å; Y1071-Q1102 HydrophobicContact CE1-CB 3.54Å; Y1071-Q1102 HydrophobicContact CE1-CG 3.65Å; Y1071-Q1102 VanDerWaalsContact CE1-O 3.25Å; Y1071-Q1102 WeakPolarHBondContact CE1-O 3.32Å; Y1071-Q1102 HydrophobicContact CG-CG 4.38Å; Y1071-Q1102 PolarHBondContact OH-O 3.44Å; L1073-Q1102 HydrophobicContact CD1-CB 3.84Å; L1073-Q1102 HydrophobicContact CG-CB 4.41Å | ||
| 1103 | A | 28.4 | Very low | 29.9 | Very low | 90 Ų | 90 | 114 Ų | 114 | 74% | 0.744 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -129.2 | 8.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1104 | V | 28.2 | Very low | 29.6 | Very low | 142 Ų | 142 | 115.4 Ų | 115.4 | 86% | 0.861 | 70% | 0.697 | S | S | * | * | trans | -140.4 | 62.4 | 177.8 | -163.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1105 | V | 26 | Very low | 29.4 | Very low | 142 Ų | 142 | 118.3 Ų | 118.3 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | trans | -145.6 | 63 | 170.4 | -163.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1106 | H | 25.4 | Very low | 29.1 | Very low | 155 Ų | 155 | 119.5 Ų | 119.5 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -159.3 | 157.5 | 158 | -131.8 | -104.5 | 0 | 0 | 0 | 109.7 | ||
| 1107 | E | 23.9 | Very low | 28.8 | Very low | 125 Ų | 125 | 121.2 Ų | 121.2 | 58% | 0.584 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 68.7 | 162.5 | -174.6 | -40.2 | -83.2 | 125.5 | 0 | 0 | 114.7 | V1166 | E1107-V1166 HydrophobicContact CB-CG2 4.05Å; E1107-V1166 HydrophobicContact CG-CG1 4.48Å; E1107-V1166 VanDerWaalsContact OE1-CG1 3.29Å; E1107-V1166 WeakPolarHBondContact OE1-CG1 3.38Å; E1107-V1166 WeakPolarHBondContact OE2-CG2 3.49Å |
| 1108 | A | 29.4 | Very low | 28.6 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 79% | 0.793 | 72% | 0.718 | S | S | * | * | trans | 48.2 | 104.5 | 178 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1109 | G | 25.3 | Very low | 28.1 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | trans | -98.6 | 138.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1110 | L | 28.1 | Very low | 27.9 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | trans | -126.1 | 148.4 | 175.8 | -82.7 | 166.3 | 0 | 0 | 0 | 112.1 | ||||
| 1111 | N | 28.2 | Very low | 27.5 | Very low | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | trans | -73.6 | 139 | -170.2 | -87.2 | -46.4 | 0 | 0 | 0 | 113.9 | D1113 | N1111-D1113 VanDerWaalsContact C-N 3.29Å; N1111-D1113 PolarHBondContact O-N 2.95Å | ||
| 1112 | H | 30.7 | Very low | 27.4 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -9.8 | -170.6 | -152.4 | -49 | 0 | 0 | 0 | 114.2 | ||
| 1113 | D | 31.7 | Very low | 27.2 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 56% | 0.561 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -34.1 | -171.6 | -65.8 | -57.6 | 0 | 0 | 0 | 114.4 | N1111 L1115 T1116 | N1111-D1113 VanDerWaalsContact C-N 3.29Å; N1111-D1113 PolarHBondContact O-N 2.95Å; D1113-L1115 PolarHBondContact O-N 3.24Å; D1113-T1116 PolarHBondContact O-N 3.44Å; D1113-T1116 PolarHBondContact O-OG1 3.22Å |
| 1114 | I | 30.3 | Very low | 27 | Very low | 132 Ų | 132 | 142 Ų | 142 | 68% | 0.677 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -66.2 | -36.1 | -171.4 | -61.4 | 176.9 | 0 | 0 | 0 | 112 | T1116 | I1114-T1116 PolarHBondContact O-N 3.11Å; I1114-T1116 VanDerWaalsContact O-N 3.09Å |
| 1115 | L | 27.7 | Very low | 26.8 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -72.6 | -0.5 | -176.3 | -71.3 | 169.6 | 0 | 0 | 0 | 114.6 | D1113 | D1113-L1115 PolarHBondContact O-N 3.24Š|
| 1116 | T | 26.5 | Very low | 26.9 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -89.4 | -12.3 | -177.7 | -38.3 | 0 | 0 | 0 | 0 | 113.3 | D1113 I1114 | D1113-T1116 PolarHBondContact O-N 3.44Å; D1113-T1116 PolarHBondContact O-OG1 3.22Å; I1114-T1116 PolarHBondContact O-N 3.11Å; I1114-T1116 VanDerWaalsContact O-N 3.09Å |
| 1117 | C | 27.3 | Very low | 26.8 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -99.3 | -15.3 | -171 | -71.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1118 | Y | 26.8 | Very low | 26.8 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 66% | 0.659 | 77% | 0.773 | S | S | * | * | trans | -96.6 | 7.8 | -167 | -101.5 | -105.1 | 0 | 0 | 0 | 116.2 | S833 | S833-Y1118 PolarHBondContact OG-OH 3.1Š| ||
| 1119 | R | 22.9 | Very low | 26.4 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | -104.5 | 45.6 | -162.4 | -152.3 | 176.6 | -174.8 | 161.3 | 3.6 | 116.3 | ||||
| 1120 | H | 26.7 | Very low | 26.3 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | -145.8 | 138.3 | 168.9 | -99 | 29.4 | 0 | 0 | 0 | 111.3 | ||||
| 1121 | F | 26.1 | Very low | 26.1 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | 64 | 122.9 | -171.2 | -56 | -87.2 | 0 | 0 | 0 | 113.2 | ||||
| 1122 | H | 27.1 | Very low | 25.9 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | cis | -131.5 | 165.3 | 20.6 | -98.4 | -102.1 | 0 | 0 | 0 | 113.8 | ||||
| 1123 | H | 24.9 | Very low | 25.6 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | -131.1 | 139.1 | 156.5 | -150.2 | -85.2 | 0 | 0 | 0 | 106.9 | ||||
| 1124 | P | 24.4 | Very low | 25.2 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | trans | -78.7 | 155.9 | -169.4 | 29.7 | -36.2 | 0 | 0 | 0 | 113.7 | ||||
| 1125 | G | 23.9 | Very low | 25 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | 116.5 | 69.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1126 | S | 27.2 | Very low | 24.9 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -154.9 | 116.7 | 154.4 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | F1128 | S1126-F1128 PolarHBondContact O-N 3.1Š| ||
| 1127 | H | 23.1 | Very low | 24.8 | Very low | 189 Ų | 189 | 130.1 Ų | 130.1 | 88% | 0.875 | 71% | 0.714 | S | S | * | * | trans | -65.4 | 128.3 | 165.2 | -66.8 | -102.2 | 0 | 0 | 0 | 110.6 | ||||
| 1128 | F | 24.6 | Very low | 24.7 | Very low | 216 Ų | 216 | 131.3 Ų | 131.3 | 95% | 0.947 | 72% | 0.718 | S | S | * | * | trans | -153.9 | 143.4 | 143.1 | -108.9 | -74.2 | 0 | 0 | 0 | 109.2 | S1126 | S1126-F1128 PolarHBondContact O-N 3.1Š| ||
| 1129 | A | 21.9 | Very low | 24.7 | Very low | 87 Ų | 87 | 127 Ų | 127 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | trans | -100.8 | 176 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1130 | C | 22.2 | Very low | 24.8 | Very low | 90 Ų | 90 | 123 Ų | 123 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | trans | 87.7 | 140.6 | 169.6 | -52.7 | 0 | 0 | 0 | 0 | 117.7 | Q500 | Q500-C1130 PolarHBondContact NE2-SG 3.48Š| ||
| 1131 | A | 23.7 | Very low | 24.6 | Very low | 78 Ų | 78 | 120.8 Ų | 120.8 | 65% | 0.645 | 72% | 0.717 | S | S | * | * | trans | 62.2 | 72 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1132 | F | 24.3 | Very low | 24.6 | Very low | 218 Ų | 218 | 116.1 Ų | 116.1 | 96% | 0.956 | 71% | 0.713 | S | S | * | * | trans | -100.6 | 108.1 | 145.6 | -109.1 | -83.9 | 0 | 0 | 0 | 108.6 | ||||
| 1133 | D | 24 | Very low | 24.5 | Very low | 65 Ų | 65 | 111.8 Ų | 111.8 | 35% | 0.348 | 70% | 0.696 | S | S | . | * | trans | -94.8 | 122.9 | 170.2 | -172.7 | 42.4 | 0 | 0 | 0 | 111 | R469 R477 T1135 | R469-D1133 IonicContact CZ-OD1 2.88Å; R469-D1133 IonicContact NH1-OD1 3.59Å; R469-D1133 IonicContact NH2-OD1 2.99Å; R469-D1133 PolarHBondContact NH2-OD1 3.35Å; R477-D1133 IonicContact NH1-OD1 3.51Å; D1133-T1135 VanDerWaalsContact C-N 3.29Å; D1133-T1135 PolarHBondContact O-N 3.3Å; D1133-T1135 WeakPolarHBondContact OD2-CB 3.16Å; D1133-T1135 WeakPolarHBondContact OD2-CG2 3.1Å; D1133-T1135 PolarHBondContact OD2-OG1 3.46Å | ||
| 1134 | A | 24.7 | Very low | 24.5 | Very low | 58 Ų | 58 | 112.5 Ų | 112.5 | 48% | 0.479 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | 69.4 | -176 | 0 | 0 | 0 | 0 | 0 | 111 | R477 | R477-A1134 VanDerWaalsContact CZ-O 3.31Å; R477-A1134 PolarHBondContact NH1-O 3.04Å; R477-A1134 PolarHBondContact NH2-O 3.45Å |
| 1135 | T | 25.5 | Very low | 24.5 | Very low | 53 Ų | 53 | 111.6 Ų | 111.6 | 33% | 0.325 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -134.5 | -2.4 | -179.4 | 49.6 | 0 | 0 | 0 | 0 | 114.6 | D1133 | D1133-T1135 VanDerWaalsContact C-N 3.29Å; D1133-T1135 PolarHBondContact O-N 3.3Å; D1133-T1135 WeakPolarHBondContact OD2-CB 3.16Å; D1133-T1135 WeakPolarHBondContact OD2-CG2 3.1Å; D1133-T1135 PolarHBondContact OD2-OG1 3.46Å |
| 1136 | A | 25.8 | Very low | 24.6 | Very low | 72 Ų | 72 | 114.4 Ų | 114.4 | 60% | 0.595 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -114.1 | -4.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116 | T1138 | A1136-T1138 PolarHBondContact O-N 3.28Š|
| 1137 | T | 23.6 | Very low | 24.4 | Very low | 118 Ų | 118 | 116.1 Ų | 116.1 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -7.5 | -169.6 | 24.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1138 | T | 24.9 | Very low | 24.5 | Very low | 139 Ų | 139 | 109.2 Ų | 109.2 | 85% | 0.853 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 2.7 | -178.3 | 41.9 | 0 | 0 | 0 | 0 | 115.1 | A1136 | A1136-T1138 PolarHBondContact O-N 3.28Š|
| 1139 | A | 26.7 | Very low | 24.6 | Very low | 77 Ų | 77 | 104.5 Ų | 104.5 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -113 | -9.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1140 | S | 24.7 | Very low | 24.8 | Very low | 109 Ų | 109 | 107.9 Ų | 107.9 | 76% | 0.762 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -106.8 | 0.8 | -169.1 | -74.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1141 | V | 23.7 | Very low | 25.1 | Very low | 122 Ų | 122 | 109.9 Ų | 109.9 | 74% | 0.739 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -98.4 | -14.9 | -177.6 | -167.7 | 0 | 0 | 0 | 0 | 112.6 | N1143 | V1141-N1143 PolarHBondContact O-N 3.07Š|
| 1142 | A | 26 | Very low | 25.4 | Very low | 88 Ų | 88 | 113.3 Ų | 113.3 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 20 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1143 | N | 24.8 | Very low | 25.4 | Very low | 89 Ų | 89 | 108.5 Ų | 108.5 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.4 | 28.4 | -171.1 | -123.9 | -48.4 | 0 | 0 | 0 | 114.8 | V1141 N1332 | V1141-N1143 PolarHBondContact O-N 3.07Å; N1143-N1332 PolarHBondContact OD1-ND2 2.94Å |
| 1144 | L | 24 | Very low | 25.6 | Very low | 174 Ų | 174 | 113 Ų | 113 | 91% | 0.911 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -121.7 | 29.6 | 174.1 | -100.8 | 173.8 | 0 | 0 | 0 | 113.8 | ||
| 1145 | S | 24.7 | Very low | 25.7 | Very low | 101 Ų | 101 | 117.1 Ų | 117.1 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | trans | -151.1 | 45.8 | -176.9 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1146 | H | 25.8 | Very low | 25.8 | Very low | 142 Ų | 142 | 122 Ų | 122 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | trans | -137.9 | 81.9 | 169.9 | -132.7 | -104.6 | 0 | 0 | 0 | 114.4 | ||||
| 1147 | M | 24 | Very low | 25.9 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | trans | -122.2 | 84 | 143.9 | -66.5 | -153.4 | 79.6 | 0 | 0 | 108.9 | E1402 | M1147-E1402 WeakPolarHBondContact CE-OE2 3.39Š| ||
| 1148 | G | 25.8 | Very low | 26.1 | Very low | 44 Ų | 44 | 126.7 Ų | 126.7 | 45% | 0.454 | 71% | 0.705 | S | S | . | * | trans | -73.9 | 169.1 | 140.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1149 | V | 25.4 | Very low | 26.3 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | cis | -145.4 | 169.9 | 12 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1150 | H | 27.5 | Very low | 26.3 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 73% | 0.731 | 70% | 0.698 | S | S | * | * | trans | 102.8 | 128.1 | 172.7 | -58.8 | -63 | 0 | 0 | 0 | 114.6 | ||||
| 1151 | N | 27.6 | Very low | 26.4 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | cis | -148.8 | 152.8 | 0.4 | -104 | -29.4 | 0 | 0 | 0 | 113.5 | ||||
| 1152 | N | 29.1 | Very low | 26.5 | Very low | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | trans | -11.1 | 130.3 | 166.8 | -57.5 | -10.8 | 0 | 0 | 0 | 119 | ||||
| 1153 | V | 24.3 | Very low | 26.4 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.715 | 69% | 0.691 | S | S | * | * | trans | -64.2 | 131 | 158.9 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1154 | H | 28.8 | Very low | 26.3 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | -172.8 | 165.8 | 119.9 | -100 | -64.5 | 0 | 0 | 0 | 112.5 | |||||
| 1155 | H | 26.9 | Very low | 26.3 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 67% | 0.667 | 69% | 0.692 | S | S | * | * | trans | -54.9 | 160.7 | -172.7 | -39.5 | -56.4 | 0 | 0 | 0 | 114 | ||||
| 1156 | H | 27 | Very low | 26.1 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 72% | 0.718 | 67% | 0.674 | S | S | * | * | cis | -157.9 | 167.2 | 41 | -111.4 | -76 | 0 | 0 | 0 | 114.6 | ||||
| 1157 | H | 28.6 | Very low | 26 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 67% | 0.667 | 67% | 0.669 | S | S | * | * | trans | 76.2 | 102.2 | 152.1 | -70 | -43.4 | 0 | 0 | 0 | 121.7 | ||||
| 1158 | H | 27.4 | Very low | 26 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 67% | 0.671 | 67% | 0.669 | S | S | * | * | 84.3 | 140.2 | 116.1 | -82.3 | -51.5 | 0 | 0 | 0 | 123.2 | |||||
| 1159 | H | 28.7 | Very low | 26 | Very low | 148 Ų | 148 | 132 Ų | 132 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | trans | 63.8 | 100 | 166.5 | -63.6 | -65.7 | 0 | 0 | 0 | 116.5 | ||||
| 1160 | H | 26.9 | Very low | 26.1 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | 68.1 | 99.1 | 76.1 | -80.4 | -86.1 | 0 | 0 | 0 | 112.8 | |||||
| 1161 | H | 27.3 | Very low | 26.1 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | 176.2 | 114.4 | 103.6 | -92.8 | -75.3 | 0 | 0 | 0 | 106.8 | |||||
| 1162 | H | 25.9 | Very low | 26.1 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | 75.3 | 135.1 | 89.6 | -107.6 | -78.2 | 0 | 0 | 0 | 114.3 | |||||
| 1163 | S | 23.3 | Very low | 26 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | trans | 79.9 | 155.1 | 138.6 | -68.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1164 | L | 23.5 | Very low | 26.1 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | cis | -152.2 | 178.3 | 2.5 | -126.2 | 162 | 0 | 0 | 0 | 111.5 | ||||
| 1165 | N | 23.4 | Very low | 26 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 67% | 0.674 | 70% | 0.7 | S | S | * | * | trans | -37.4 | 158.2 | 168 | -56.6 | -0 | 0 | 0 | 0 | 116.5 | ||||
| 1166 | V | 22.1 | Very low | 26.1 | Very low | 54 Ų | 54 | 125.2 Ų | 125.2 | 33% | 0.327 | 70% | 0.701 | S | S | . | * | S | Bend | -8.5 | 135.4 | 128.4 | -167.8 | 0 | 0 | 0 | 0 | 116.3 | E1107 | E1107-V1166 HydrophobicContact CB-CG2 4.05Å; E1107-V1166 HydrophobicContact CG-CG1 4.48Å; E1107-V1166 VanDerWaalsContact OE1-CG1 3.29Å; E1107-V1166 WeakPolarHBondContact OE1-CG1 3.38Å; E1107-V1166 WeakPolarHBondContact OE2-CG2 3.49Å | |
| 1167 | S | 23.1 | Very low | 26 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 56% | 0.559 | 70% | 0.702 | S | S | * | * | trans | 77.6 | 128.9 | 159.5 | 73.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1168 | T | 24.4 | Very low | 26.1 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | trans | 63.8 | 118.1 | 141.6 | 51.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 1169 | C | 23.8 | Very low | 26.1 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 91% | 0.912 | 71% | 0.706 | S | S | * | * | trans | 66.1 | 127.2 | 133.5 | -59.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1170 | G | 27.6 | Very low | 25.9 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | 133 | 81.7 | 138.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1171 | D | 27.9 | Very low | 25.9 | Very low | 147 Ų | 147 | 124.2 Ų | 124.2 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | trans | 40.5 | 118.5 | 136.9 | -77.1 | 14.2 | 0 | 0 | 0 | 124 | ||||
| 1172 | N | 27.1 | Very low | 25.8 | Very low | 134 Ų | 134 | 122.3 Ų | 122.3 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | trans | 63.1 | 115.6 | 131 | -60.7 | -55.8 | 0 | 0 | 0 | 122 | ||||
| 1173 | L | 27.7 | Very low | 26 | Very low | 151 Ų | 151 | 120.3 Ų | 120.3 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | 172.8 | 118.8 | 106 | -90.1 | 168.4 | 0 | 0 | 0 | 115.5 | |||||
| 1174 | I | 26.8 | Very low | 26.3 | Very low | 162 Ų | 162 | 123.9 Ų | 123.9 | 83% | 0.831 | 72% | 0.72 | S | S | * | * | trans | 27.6 | 126.7 | 138.2 | -51.9 | 173.6 | 0 | 0 | 0 | 120.1 | ||||
| 1175 | G | 27 | Very low | 26.5 | Very low | 68 Ų | 68 | 125.1 Ų | 125.1 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | -133.7 | -65.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1176 | S | 27.5 | Very low | 26.7 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | 72.7 | 126.4 | 171.8 | 76.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1177 | N | 26.5 | Very low | 27 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 61.8 | 118.7 | 135.7 | -53.7 | -12.6 | 0 | 0 | 0 | 123.2 | ||||
| 1178 | N | 30.6 | Very low | 27.3 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | 164.5 | 133.1 | 95.5 | -89.9 | -43 | 0 | 0 | 0 | 118 | |||||
| 1179 | L | 27.7 | Very low | 27.4 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 71% | 0.707 | 74% | 0.744 | S | S | * | * | trans | 58.1 | 116.6 | 131.4 | -55.2 | 168 | 0 | 0 | 0 | 124.3 | ||||
| 1180 | L | 24.2 | Very low | 27.6 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | 49.1 | 129.3 | 123.8 | -54.5 | 172.6 | 0 | 0 | 0 | 122 | |||||
| 1181 | H | 26.4 | Very low | 27.5 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | 154.1 | 83.5 | 95 | -164.3 | -77 | 0 | 0 | 0 | 117.7 | |||||
| 1182 | V | 24.5 | Very low | 27.5 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | trans | 58.4 | -166.6 | 142.3 | -134.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1183 | P | 31.5 | Very low | 27.5 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | -129.8 | 174 | -121.9 | 45.4 | -28.2 | 0 | 0 | 0 | 117.9 | |||||
| 1184 | Q | 29.7 | Very low | 27.4 | Very low | 167 Ų | 167 | 125.2 Ų | 125.2 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | trans | -157.1 | 135.5 | 149.7 | -108.1 | 164.8 | 8.6 | 0 | 0 | 109.2 | ||||
| 1185 | Q | 27.4 | Very low | 27.5 | Very low | 166 Ų | 166 | 125 Ų | 125 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | 60.2 | 135.1 | 96.6 | -66.7 | -179 | -5.9 | 0 | 0 | 114.6 | |||||
| 1186 | S | 28.1 | Very low | 27.6 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | cis | -175.7 | 151.1 | 0.4 | 45.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1187 | S | 27 | Very low | 27.8 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | trans | 57.9 | 154.5 | 149.1 | 62 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1188 | A | 29.7 | Very low | 27.9 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | cis | -151.9 | 144.3 | 26 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1189 | I | 27.5 | Very low | 27.9 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 67% | 0.672 | 73% | 0.725 | S | S | * | * | 64.5 | 109 | 110.1 | -58.2 | 174.3 | 0 | 0 | 0 | 113.4 | I1191 | I1189-I1191 HydrophobicContact CG2-CD1 4.11Å; I1189-I1191 HydrophobicContact CG2-CG1 4.46Å | |||
| 1190 | S | 26.9 | Very low | 28.1 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | cis | 83.5 | 169 | 42.7 | -163.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1191 | I | 26.7 | Very low | 28.2 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 68% | 0.677 | 73% | 0.725 | S | S | * | * | trans | 86.9 | 131.6 | -175.7 | -54.5 | 163.3 | 0 | 0 | 0 | 112.2 | I1189 | I1189-I1191 HydrophobicContact CG2-CD1 4.11Å; I1189-I1191 HydrophobicContact CG2-CG1 4.46Å | ||
| 1192 | D | 27.7 | Very low | 28.4 | Very low | 132 Ų | 132 | 123.9 Ų | 123.9 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | cis | -128.8 | 143.4 | 7.5 | -106.5 | -40.5 | 0 | 0 | 0 | 110.2 | ||||
| 1193 | S | 26.4 | Very low | 28.5 | Very low | 90 Ų | 90 | 122.4 Ų | 122.4 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | 73.3 | 144.8 | 75.4 | -51.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1194 | L | 26.4 | Very low | 28.4 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | cis | -151.8 | 129.2 | 40.3 | -78.2 | 161.9 | 0 | 0 | 0 | 115.2 | ||||
| 1195 | M | 27.9 | Very low | 28.4 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | 65.7 | 149.5 | 139.6 | -48.8 | -70.1 | 178.5 | 0 | 0 | 119 | ||||
| 1196 | V | 30.1 | Very low | 28.7 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | cis | -146.5 | 128.9 | 27.8 | 170.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1197 | N | 30.2 | Very low | 28.7 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 61% | 0.61 | 74% | 0.737 | S | S | * | * | trans | 50.4 | 121.5 | 149.4 | -63.8 | -11.5 | 0 | 0 | 0 | 122.6 | ||||
| 1198 | Q | 29.8 | Very low | 28.9 | Very low | 169 Ų | 169 | 123.8 Ų | 123.8 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | 80.9 | 142.4 | 85.4 | -69.9 | 169.3 | 21.1 | 0 | 0 | 115 | |||||
| 1199 | A | 30.3 | Very low | 28.8 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | cis | -164.5 | 173.1 | -5.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1200 | G | 31.4 | Very low | 29 | Very low | 64 Ų | 64 | 125.2 Ų | 125.2 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | 108.8 | 104.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1201 | T | 26.4 | Very low | 29 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | cis | 63.3 | 121.1 | 41.9 | -20.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1202 | I | 31 | Very low | 29.2 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | -150.1 | 155.3 | 50.6 | -73.7 | 160.2 | 0 | 0 | 0 | 111.3 | |||||
| 1203 | A | 26.9 | Very low | 29.3 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | -105.8 | 160.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1204 | Y | 28.9 | Very low | 29.3 | Very low | 236 Ų | 236 | 132 Ų | 132 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | -149.7 | 162 | 152.5 | -138.8 | -96.8 | 0 | 0 | 0 | 113.6 | ||||
| 1205 | N | 29 | Very low | 29.4 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -121.9 | -166.2 | -164.1 | -141.5 | 0.8 | 0 | 0 | 0 | 111.3 | ||||
| 1206 | P | 34.9 | Very low | 29.5 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 63% | 0.63 | 77% | 0.766 | S | S | * | * | -126.9 | -164.6 | -128.1 | 41 | -20.2 | 0 | 0 | 0 | 115.5 | |||||
| 1207 | S | 27.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | 72.2 | 107.4 | 150.3 | -60.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1208 | A | 31 | Very low | 29.6 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -170.5 | 121.6 | 139 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1209 | V | 28.4 | Very low | 29.5 | Very low | 138 Ų | 138 | 130 Ų | 130 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | 87.5 | 115.2 | 50.7 | 174.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1210 | A | 30.4 | Very low | 29.4 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | 62.6 | 147.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1211 | G | 27.7 | Very low | 29.1 | Very low | 63 Ų | 63 | 136.2 Ų | 136.2 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | cis | 131.3 | 110.3 | -10.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1212 | Y | 30.4 | Very low | 29.4 | Very low | 224 Ų | 224 | 134.7 Ų | 134.7 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -158.4 | 111.3 | 164.4 | -91.5 | -79 | 0 | 0 | 0 | 107.2 | ||||
| 1213 | Q | 29.1 | Very low | 29.2 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | 74.3 | 108.8 | 66.4 | -78.2 | -152.3 | -21.6 | 0 | 0 | 117.2 | |||||
| 1214 | H | 28.4 | Very low | 29.2 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 56.7 | 145 | 146.2 | -69.2 | -81.9 | 0 | 0 | 0 | 122.1 | ||||
| 1215 | V | 28.1 | Very low | 29.2 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | 167.8 | 126 | 103.7 | 162 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1216 | T | 29.8 | Very low | 29 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 58 | 124.1 | 160 | 62 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1217 | H | 27.5 | Very low | 28.6 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | trans | -37.3 | 177.6 | 136 | -79.2 | -66.9 | 0 | 0 | 0 | 116.7 | ||||
| 1218 | P | 35.2 | Very low | 28.6 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | cis | -144.1 | -163.7 | 17.9 | 40.1 | -16.9 | 0 | 0 | 0 | 117.6 | ||||
| 1219 | T | 27 | Very low | 28.5 | Very low | 114 Ų | 114 | 128 Ų | 128 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | 82.6 | 118.8 | 145.8 | 42.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 1220 | L | 28.1 | Very low | 28.7 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | 71.5 | 105.6 | 130 | -62.4 | 166.2 | 0 | 0 | 0 | 122.1 | ||||
| 1221 | L | 25.8 | Very low | 28.6 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | 54.3 | 155 | 116.6 | -66.7 | -176.3 | 0 | 0 | 0 | 121.6 | |||||
| 1222 | P | 32.7 | Very low | 28.5 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | cis | -141.2 | -159.9 | -18.5 | 37 | -14.9 | 0 | 0 | 0 | 113.8 | ||||
| 1223 | V | 26.7 | Very low | 28.7 | Very low | 124 Ų | 124 | 121.3 Ų | 121.3 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | trans | 75.7 | 108.4 | 151.9 | 170.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1224 | S | 26.6 | Very low | 28.6 | Very low | 121 Ų | 121 | 121 Ų | 121 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | trans | 54.6 | 150.3 | 137 | -53.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1225 | G | 27.6 | Very low | 29 | Very low | 68 Ų | 68 | 118.1 Ų | 118.1 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | trans | 150.2 | 39.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1226 | S | 25.9 | Very low | 28.8 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | trans | 29.6 | 138.7 | 136.1 | -47.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 1227 | R | 26.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 120.5 Ų | 120.5 | 54% | 0.543 | 71% | 0.71 | S | S | . | * | trans | 90.1 | 104.5 | 147.5 | -62.5 | 156.5 | 159.5 | -123.4 | -8.3 | 118.1 | D999 D1000 | D999-R1227 WeakPolarHBondContact OD1-CG 3.39Å; D999-R1227 IonicContact OD1-NE 3.34Å; D999-R1227 WeakPolarHBondContact OD2-CB 3.49Å; D999-R1227 WeakPolarHBondContact OD2-CD 3.4Å; D999-R1227 WeakPolarHBondContact OD2-CG 3.42Å; D999-R1227 IonicContact OD2-CZ 3.65Å; D999-R1227 IonicContact OD2-NE 3.75Å; D999-R1227 PolarHBondContact OD2-NE 3.32Å; D999-R1227 VanDerWaalsContact OD2-NE 3.11Å; D999-R1227 IonicContact OD2-NH1 3.11Å; D999-R1227 PolarHBondContact OD2-NH1 3.5Å; D999-R1227 IonicContact OD2-NH2 2.77Å; D1000-R1227 IonicContact OD2-CZ 2.69Å; D1000-R1227 IonicContact OD2-NE 3.47Å; D1000-R1227 IonicContact OD2-NH2 2.7Å; D1000-R1227 PolarHBondContact OD2-NH2 3.35Å | ||
| 1228 | V | 28 | Very low | 28.7 | Very low | 90 Ų | 90 | 116.7 Ų | 116.7 | 55% | 0.545 | 70% | 0.704 | S | S | . | * | cis | 107.4 | 161.9 | 38 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | A997 P998 | A997-V1228 WeakPolarHBondContact CA-O 3.42Å; P998-V1228 VanDerWaalsContact CD-O 3.27Å; P998-V1228 WeakPolarHBondContact CD-O 3.2Å; P998-V1228 VanDerWaalsContact CG-C 3.41Å; P998-V1228 HydrophobicContact CG-CB 3.93Å; P998-V1228 HydrophobicContact CG-CG1 3.75Å; P998-V1228 WeakPolarHBondContact CG-O 3.49Å | ||
| 1229 | L | 28.3 | Very low | 28.3 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | trans | 11.5 | -161 | 173.2 | -40 | 140.2 | 0 | 0 | 0 | 122 | A997 P998 | A997-L1229 VanDerWaalsContact CA-O 3.31Å; A997-L1229 WeakPolarHBondContact CA-O 3.49Å; A997-L1229 PolarHBondContact N-O 3.34Å; A997-L1229 VanDerWaalsContact N-O 3.13Å; P998-L1229 HydrophobicContact CB-CB 3.75Å; P998-L1229 HydrophobicContact CB-CD1 3.93Å; P998-L1229 HydrophobicContact CB-CG 4.43Å; P998-L1229 HydrophobicContact CG-CB 3.7Å; P998-L1229 HydrophobicContact CG-CD1 3.92Å; P998-L1229 HydrophobicContact CG-CG 4.21Å | ||
| 1230 | P | 33.6 | Very low | 28.4 | Very low | 71 Ų | 71 | 116 Ų | 116 | 46% | 0.461 | 72% | 0.719 | S | S | . | * | cis | -129.5 | -173.6 | -28.3 | 35.7 | -15.3 | 0 | 0 | 0 | 116.2 | A997 P998 | A997-P1230 WeakPolarHBondContact O-CD 3.44Å; P998-P1230 HydrophobicContact CB-CB 4.45Å; P998-P1230 HydrophobicContact CB-CG 3.78Å | ||
| 1231 | V | 27.6 | Very low | 28.3 | Very low | 120 Ų | 120 | 113.1 Ų | 113.1 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | 79.6 | 128.1 | 160.5 | -149.3 | 0 | 0 | 0 | 0 | 118.4 | Q1234 | V1231-Q1234 HydrophobicContact CG1-CG 4.42Š| ||
| 1232 | G | 26.7 | Very low | 28.4 | Very low | 58 Ų | 58 | 110.3 Ų | 110.3 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | trans | -105.1 | -157.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1234 | G1232-Q1234 PolarHBondContact O-N 3.28Å; G1232-Q1234 VanDerWaalsContact O-N 3.13Å | ||
| 1233 | P | 32.9 | Very low | 28.2 | Very low | 139 Ų | 139 | 110.3 Ų | 110.3 | 90% | 0.903 | 72% | 0.724 | S | S | * | * | trans | -72.2 | 107.5 | 178.1 | 28.9 | -33 | 0 | 0 | 0 | 111.8 | ||||
| 1234 | Q | 27.4 | Very low | 28.2 | Very low | 150 Ų | 150 | 112 Ų | 112 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -71.8 | 148.7 | 165.1 | -83.6 | -92.8 | -19.4 | 0 | 0 | 111.1 | V1231 G1232 | V1231-Q1234 HydrophobicContact CG1-CG 4.42Å; G1232-Q1234 PolarHBondContact O-N 3.28Å; G1232-Q1234 VanDerWaalsContact O-N 3.13Å | ||
| 1235 | P | 37 | Very low | 28.5 | Very low | 105 Ų | 105 | 111.3 Ų | 111.3 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | trans | -73.7 | 156.2 | 160.2 | 34.6 | -35 | 0 | 0 | 0 | 110.5 | ||||
| 1236 | I | 24.5 | Very low | 28.4 | Very low | 147 Ų | 147 | 111.4 Ų | 111.4 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | trans | -170.6 | 159.2 | 160.9 | -103.2 | 146.3 | 0 | 0 | 0 | 109 | ||||
| 1237 | L | 26.4 | Very low | 28.6 | Very low | 157 Ų | 157 | 113 Ų | 113 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | trans | 79.2 | 124.8 | -172.5 | -49.2 | -178.3 | 0 | 0 | 0 | 114.5 | ||||
| 1238 | S | 28.7 | Very low | 28.6 | Very low | 104 Ų | 104 | 107.7 Ų | 107.7 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | cis | -151.3 | 151.7 | -5.2 | -98.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1239 | S | 26.8 | Very low | 28.5 | Very low | 124 Ų | 124 | 109.1 Ų | 109.1 | 87% | 0.867 | 69% | 0.694 | S | S | * | * | trans | -57.4 | 139.7 | 173.3 | 53.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1240 | G | 29 | Very low | 28.3 | Very low | 80 Ų | 80 | 107.1 Ų | 107.1 | 83% | 0.825 | 69% | 0.691 | S | S | * | * | trans | 178.9 | 111.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1241 | G | 26.8 | Very low | 28.3 | Very low | 80 Ų | 80 | 109.1 Ų | 109.1 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | -99.8 | -169.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1242 | A | 27.1 | Very low | 28.3 | Very low | 95 Ų | 95 | 110.2 Ų | 110.2 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | 93.3 | 126.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1243 | S | 28.8 | Very low | 28.5 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | 54.3 | 105.3 | 143.1 | 57.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1244 | I | 26.5 | Very low | 28.2 | Very low | 160 Ų | 160 | 117.2 Ų | 117.2 | 82% | 0.821 | 72% | 0.719 | S | S | * | * | 24.6 | 132.3 | 96.9 | -53.7 | 171.2 | 0 | 0 | 0 | 114.8 | |||||
| 1245 | P | 32 | Very low | 28.1 | Very low | 107 Ų | 107 | 115 Ų | 115 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | cis | -137.7 | 172 | 27.3 | 22.5 | 3.2 | 0 | 0 | 0 | 118.2 | ||||
| 1246 | N | 26.9 | Very low | 27.6 | Very low | 70 Ų | 70 | 114.7 Ų | 114.7 | 37% | 0.374 | 73% | 0.732 | S | S | . | * | trans | -5 | 122.6 | 142.7 | -66.5 | -2.6 | 0 | 0 | 0 | 119.1 | L751 P752 G753 | L751-N1246 HydrophobicContact CD2-CB 4.43Å; P752-N1246 HydrophobicContact CG-CB 3.76Å; P752-N1246 PolarHBondContact O-ND2 2.91Å; G753-N1246 PolarHBondContact O-ND2 3.42Å | ||
| 1247 | H | 29.6 | Very low | 27.9 | Very low | 138 Ų | 138 | 115 Ų | 115 | 64% | 0.639 | 74% | 0.74 | S | S | * | * | trans | -149.6 | 151.8 | 140.5 | -95.3 | -78.9 | 0 | 0 | 0 | 110 | L750 P752 | L750-H1247 HydrophobicContact CD2-CB 4.46Å; P752-H1247 VanDerWaalsContact CG-C 3.47Å | ||
| 1248 | G | 26.8 | Very low | 27.8 | Very low | 34 Ų | 34 | 111.7 Ų | 111.7 | 35% | 0.351 | 74% | 0.736 | S | S | . | * | trans | -129.2 | -143 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | L750 | L750-G1248 VanDerWaalsContact CD2-N 3.25Å; L750-G1248 WeakPolarHBondContact CD2-O 3.38Å | ||
| 1249 | L | 26.1 | Very low | 27.7 | Very low | 119 Ų | 119 | 111.7 Ų | 111.7 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | trans | 59.5 | 162.9 | -167.8 | -79.3 | -156 | 0 | 0 | 0 | 113.2 | L750 | L750-L1249 HydrophobicContact CB-CB 4.44Å; L750-L1249 HydrophobicContact CB-CD1 3.65Å; L750-L1249 HydrophobicContact CB-CG 3.68Å; L750-L1249 HydrophobicContact CD1-CB 4.32Å; L750-L1249 HydrophobicContact CD1-CD1 4.39Å; L750-L1249 HydrophobicContact CD1-CG 4.42Å; L750-L1249 HydrophobicContact CD2-CB 4.01Å; L750-L1249 HydrophobicContact CD2-CG 4.01Å; L750-L1249 HydrophobicContact CG-CB 4.48Å; L750-L1249 HydrophobicContact CG-CD1 4.47Å; L750-L1249 HydrophobicContact CG-CG 4.22Å | ||
| 1250 | S | 24.1 | Very low | 27.8 | Very low | 87 Ų | 87 | 112.6 Ų | 112.6 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | cis | -154.9 | 162 | -17 | 38 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1251 | P | 33.4 | Very low | 27.9 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -66 | 166.5 | 171.8 | 29.3 | -36.6 | 0 | 0 | 0 | 112.7 | ||||
| 1252 | N | 26.6 | Very low | 27.9 | Very low | 144 Ų | 144 | 120.6 Ų | 120.6 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | 74.5 | 89.6 | 179.2 | -56.7 | -24.7 | 0 | 0 | 0 | 116.5 | ||||
| 1253 | D | 31.9 | Very low | 28 | Very low | 177 Ų | 177 | 120.8 Ų | 120.8 | 95% | 0.947 | 73% | 0.731 | S | S | * | * | trans | -127.3 | 118.1 | 130.2 | -112.5 | -35.4 | 0 | 0 | 0 | 108.3 | ||||
| 1254 | M | 26.8 | Very low | 28 | Very low | 167 Ų | 167 | 123 Ų | 123 | 82% | 0.823 | 73% | 0.731 | S | S | * | * | trans | -101.8 | 147.8 | -178.8 | -87.3 | -153.4 | -74.4 | 0 | 0 | 111.8 | ||||
| 1255 | A | 25.2 | Very low | 28.1 | Very low | 102 Ų | 102 | 124 Ų | 124 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | 50.1 | 88.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1256 | A | 26.4 | Very low | 27.9 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -152 | 30.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1257 | V | 29.7 | Very low | 28.1 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 93% | 0.927 | 76% | 0.761 | S | S | * | * | trans | -133.3 | 82.8 | 163.1 | -168.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1258 | A | 25.2 | Very low | 28.1 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -112.2 | 152.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1259 | S | 26.3 | Very low | 28.1 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 85.3 | 141.4 | 173.5 | -34.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1260 | N | 28.1 | Very low | 28.2 | Very low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | trans | 64.7 | 97.8 | 165.6 | -51.1 | -20.4 | 0 | 0 | 0 | 115.6 | ||||
| 1261 | N | 31.7 | Very low | 28.5 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | -141.4 | 138.6 | 66.5 | -80.5 | -40.9 | 0 | 0 | 0 | 114.3 | |||||
| 1262 | L | 25.9 | Very low | 28.2 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -112.4 | 170.6 | 170.9 | -101.1 | 136.6 | 0 | 0 | 0 | 109.7 | ||||
| 1263 | S | 29.1 | Very low | 28.6 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | trans | 74.3 | 139 | -171.4 | 82.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1264 | M | 29.4 | Very low | 28.8 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | S | Bend | cis | -126.2 | 156.6 | 11.7 | -71.8 | -75.8 | 175.6 | 0 | 0 | 112.4 | ||
| 1265 | M | 29.8 | Very low | 29.6 | Very low | 183 Ų | 183 | 129.8 Ų | 129.8 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | 40.3 | 110.4 | 150.9 | -59.3 | 166.2 | -172 | 0 | 0 | 118.1 | ||||
| 1266 | G | 27.4 | Very low | 31 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | cis | 128.8 | 90.5 | -2.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1267 | D | 31.6 | Very low | 33.1 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -144.9 | 156 | 172.5 | -105.9 | -46.6 | 0 | 0 | 0 | 112.1 | ||||
| 1268 | T | 28.5 | Very low | 35.7 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | 5 | 127.9 | 175.1 | 56.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1269 | I | 27.9 | Very low | 38.8 | Very low | 177 Ų | 177 | 123.5 Ų | 123.5 | 91% | 0.908 | 71% | 0.714 | S | S | * | * | trans | -80 | 127.4 | 172.7 | -59.6 | 169.6 | 0 | 0 | 0 | 111.5 | ||||
| 1270 | S | 27.8 | Very low | 41.9 | Very low | 98 Ų | 98 | 119 Ų | 119 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | trans | -104.5 | 157.5 | 165.3 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1271 | P | 31.2 | Very low | 45.1 | Very low | 122 Ų | 122 | 115 Ų | 115 | 79% | 0.792 | 66% | 0.661 | S | S | * | * | trans | -69.9 | 151.8 | -173.6 | 27.3 | -34.7 | 0 | 0 | 0 | 113.6 | N1273 | P1271-N1273 PolarHBondContact O-N 2.91Š| ||
| 1272 | L | 27 | Very low | 48 | Very low | 170 Ų | 170 | 107.8 Ų | 107.8 | 89% | 0.89 | 63% | 0.625 | S | S | * | * | trans | -55.1 | 113.5 | -172.2 | -77.3 | 148.4 | 0 | 0 | 0 | 113.7 | V1274 | L1272-V1274 PolarHBondContact O-N 2.99Å; L1272-V1274 VanDerWaalsContact O-N 3.15Å | ||
| 1273 | N | 35 | Very low | 51.2 | Low | 149 Ų | 149 | 101.8 Ų | 101.8 | 80% | 0.797 | 60% | 0.596 | S | S | * | * | trans | -76.2 | 97.4 | 173.4 | -170.5 | 14.7 | 0 | 0 | 0 | 111 | P1271 | P1271-N1273 PolarHBondContact O-N 2.91Š| ||
| 1274 | V | 35.3 | Very low | 54.3 | Low | 91 Ų | 91 | 97.3 Ų | 97.3 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -83 | 119.9 | 167 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | K559 L1272 | K559-V1274 PolarHBondContact NZ-O 3.09Å; L1272-V1274 PolarHBondContact O-N 2.99Å; L1272-V1274 VanDerWaalsContact O-N 3.15Å |
| 1275 | P | 43.1 | Very low | 57.2 | Low | 108 Ų | 108 | 97.5 Ų | 97.5 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 143.3 | -176.5 | -28.7 | 34.9 | 0 | 0 | 0 | 113.5 | ||
| 1276 | S | 55.3 | Low | 60 | Low | 49 Ų | 49 | 92.2 Ų | 92.2 | 34% | 0.343 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 141 | 165.5 | 47.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1277 | L | 70.8 | Confident | 63.1 | Low | 139 Ų | 139 | 89.8 Ų | 89.8 | 73% | 0.728 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -76.5 | -18 | 175.2 | -161.6 | 67.5 | 0 | 0 | 0 | 112 | ||
| 1278 | I | 84.6 | Confident | 66 | Low | 22 Ų | 22 | 85.8 Ų | 85.8 | 11% | 0.113 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -87.1 | 132.3 | -178.3 | -55.3 | -177 | 0 | 0 | 0 | 110 | L539 I554 V1280 | L539-I1278 HydrophobicContact CB-CG2 4.22Å; L539-I1278 HydrophobicContact CD2-CG2 4.04Å; I554-I1278 HydrophobicContact CG2-CD1 3.49Å; I554-I1278 VanDerWaalsContact CG2-CD1 3.49Å; I554-I1278 WeakPolarHBondContact O-CD1 3.46Å; I1278-V1280 PolarHBondContact O-N 3.45Å |
| 1279 | D | 89.1 | Confident | 69.2 | Low | 100 Ų | 100 | 82.5 Ų | 82.5 | 54% | 0.535 | 47% | 0.469 | S | S | . | . | trans | -73.9 | 115.5 | 169.4 | -175.7 | 4.3 | 0 | 0 | 0 | 110.6 | N1281 A1282 | D1279-N1281 VanDerWaalsContact C-N 3.26Å; D1279-N1281 PolarHBondContact O-N 3.46Å; D1279-N1281 PolarHBondContact OD1-N 3.48Å; D1279-A1282 HydrophobicContact CB-CB 4.46Å | ||
| 1280 | V | 92.7 | Very high | 72.5 | Confident | 10 Ų | 10 | 74.1 Ų | 74.1 | 6% | 0.061 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -21.1 | 179.6 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | L555 I1278 L1307 R1310 A1312 | L555-V1280 HydrophobicContact CD2-CG2 4.08Å; I1278-V1280 PolarHBondContact O-N 3.45Å; V1280-L1307 HydrophobicContact CG1-CD2 4Å; V1280-R1310 HydrophobicContact CG1-CB 4.47Å; V1280-R1310 HydrophobicContact CG2-CB 4.21Å; V1280-A1312 HydrophobicContact CG1-CB 3.81Å |
| 1281 | N | 93.7 | Very high | 75.7 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 31% | 0.31 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 10.2 | -174.9 | -65.4 | -59.4 | 0 | 0 | 0 | 113.6 | D1279 G1311 A1312 D1313 | D1279-N1281 VanDerWaalsContact C-N 3.26Å; D1279-N1281 PolarHBondContact O-N 3.46Å; D1279-N1281 PolarHBondContact OD1-N 3.48Å; N1281-G1311 PolarHBondContact ND2-O 3.14Å; N1281-A1312 WeakPolarHBondContact OD1-CA 3.3Å; N1281-D1313 PolarHBondContact OD1-N 3.31Å |
| 1282 | A | 93.1 | Very high | 78.9 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | trans | -54.8 | 141.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T537 D1279 | T537-A1282 HydrophobicContact CG2-CB 3.86Å; D1279-A1282 HydrophobicContact CB-CB 4.46Å | ||
| 1283 | C | 93.2 | Very high | 82.1 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -136.3 | 152 | -176 | 73.7 | 0 | 0 | 0 | 0 | 112.6 | E1285 E1289 T1290 | C1283-E1285 PolarHBondContact O-N 3.41Å; C1283-E1289 CarbonylContact C-O 3.56Å; C1283-E1289 WeakPolarHBondContact CA-O 3.13Å; C1283-E1289 WeakPolarHBondContact CB-O 3.33Å; C1283-T1290 HydrophobicContact CB-CG2 3.72Å |
| 1284 | I | 93.8 | Very high | 85 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | trans | -66.6 | 124.4 | 175.2 | -57.3 | 175.2 | 0 | 0 | 0 | 109.2 | D534 I540 R544 S1286 S1287 M1288 E1289 | D534-I1284 HydrophobicContact CB-CG2 4.19Å; D534-I1284 CarbonylContact O-C 3.48Å; D534-I1284 WeakPolarHBondContact OD2-CG2 3.08Å; I540-I1284 HydrophobicContact CD1-CG1 4.26Å; I540-I1284 HydrophobicContact CG2-CD1 4.12Å; I540-I1284 HydrophobicContact CG2-CG1 4.1Å; R544-I1284 VanDerWaalsContact NH2-CD1 3.26Å; I1284-S1286 PolarHBondContact O-N 2.92Å; I1284-S1286 VanDerWaalsContact O-N 3.13Å; I1284-S1287 PolarHBondContact O-N 2.99Å; I1284-M1288 WeakPolarHBondContact O-CA 3.34Å; I1284-M1288 PolarHBondContact O-N 2.89Å; I1284-E1289 HydrophobicContact CD1-CB 4.27Å; I1284-E1289 PolarHBondContact N-O 2.86Å | ||
| 1285 | E | 90.2 | Very high | 87.9 | Confident | 152 Ų | 152 | 45.7 Ų | 45.7 | 71% | 0.71 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.1 | -177.2 | -63.8 | -169 | 162.5 | 0 | 0 | 112.9 | D534 C1283 | D534-E1285 PolarHBondContact O-N 3.01Å; C1283-E1285 PolarHBondContact O-N 3.41Å |
| 1286 | S | 89.6 | Confident | 90.5 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -28.7 | -172.3 | 79.6 | 0 | 0 | 0 | 0 | 114.1 | I1284 K1319 | I1284-S1286 PolarHBondContact O-N 2.92Å; I1284-S1286 VanDerWaalsContact O-N 3.13Å; S1286-K1319 WeakPolarHBondContact O-CD 3.43Å; S1286-K1319 WeakPolarHBondContact O-CE 3.32Å; S1286-K1319 PolarHBondContact O-NZ 2.85Å |
| 1287 | S | 91.6 | Very high | 92.4 | Very high | 22 Ų | 22 | 41 Ų | 41 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123 | -14.1 | -176.1 | 63 | 0 | 0 | 0 | 0 | 114.2 | I1284 E1289 K1319 | I1284-S1287 PolarHBondContact O-N 2.99Å; S1287-E1289 WeakPolarHBondContact CB-OE2 3.35Å; S1287-E1289 PolarHBondContact O-N 3.11Å; S1287-E1289 WeakPolarHBondContact OG-CG 3.49Å; S1287-E1289 PolarHBondContact OG-N 3.33Å; S1287-E1289 PolarHBondContact OG-OE2 3.01Å; S1287-K1319 WeakPolarHBondContact O-CB 3.48Å; S1287-K1319 PolarHBondContact O-N 2.95Å |
| 1288 | M | 93.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | trans | 58.6 | 26.8 | -168.5 | -55 | -68.4 | -63.2 | 0 | 0 | 113.3 | I1284 H1316 K1319 | I1284-M1288 WeakPolarHBondContact O-CA 3.34Å; I1284-M1288 PolarHBondContact O-N 2.89Å; M1288-H1316 PolarHBondContact O-NE2 2.92Å; M1288-K1319 HydrophobicContact CG-CB 4.42Å | ||
| 1289 | E | 94.3 | Very high | 93.9 | Very high | 61 Ų | 61 | 35.4 Ų | 35.4 | 29% | 0.285 | 21% | 0.208 | S | C | . | . | trans | -81.7 | 137.3 | 174.9 | -69.7 | 165.2 | 121.2 | 0 | 0 | 111.5 | C1283 I1284 S1287 T1293 L1294 | C1283-E1289 CarbonylContact C-O 3.56Å; C1283-E1289 WeakPolarHBondContact CA-O 3.13Å; C1283-E1289 WeakPolarHBondContact CB-O 3.33Å; I1284-E1289 HydrophobicContact CD1-CB 4.27Å; I1284-E1289 PolarHBondContact N-O 2.86Å; S1287-E1289 WeakPolarHBondContact CB-OE2 3.35Å; S1287-E1289 PolarHBondContact O-N 3.11Å; S1287-E1289 WeakPolarHBondContact OG-CG 3.49Å; S1287-E1289 PolarHBondContact OG-N 3.33Å; S1287-E1289 PolarHBondContact OG-OE2 3.01Å; E1289-T1293 WeakPolarHBondContact CA-OG1 3.48Å; E1289-T1293 WeakPolarHBondContact CB-OG1 3.41Å; E1289-L1294 HydrophobicContact CB-CD2 4.4Å; E1289-L1294 HydrophobicContact CB-CG 4.44Å | ||
| 1290 | T | 96.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -104.3 | 171.1 | 174.3 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | C1283 L1292 T1293 L1294 | C1283-T1290 HydrophobicContact CB-CG2 3.72Å; T1290-L1292 PolarHBondContact O-N 2.83Å; T1290-L1292 PolarHBondContact OG1-N 3.19Å; T1290-T1293 PolarHBondContact N-OG1 2.81Å; T1290-T1293 PolarHBondContact O-N 3.09Å; T1290-T1293 PolarHBondContact O-OG1 3.24Å; T1290-T1293 VanDerWaalsContact O-OG1 3.08Å; T1290-T1293 PolarHBondContact OG1-N 3.35Å; T1290-L1294 WeakPolarHBondContact O-CG 3.32Å; T1290-L1294 PolarHBondContact O-N 3Å |
| 1291 | A | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -51.8 | -35.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L539 A543 A1295 L1307 | L539-A1291 HydrophobicContact CD2-CB 4.42Å; L539-A1291 HydrophobicContact CG-CB 4.18Å; A543-A1291 HydrophobicContact CB-CB 3.79Å; A1291-A1295 VanDerWaalsContact O-CB 3.31Å; A1291-A1295 WeakPolarHBondContact O-CB 3.24Å; A1291-A1295 PolarHBondContact O-N 3.42Å; A1291-L1307 HydrophobicContact CB-CD1 4.09Å; A1291-L1307 HydrophobicContact CB-CD2 4.03Å; A1291-L1307 WeakPolarHBondContact O-CD1 3.36Å |
| 1292 | L | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.7 | -44.7 | 177.7 | -179.1 | 65.6 | 0 | 0 | 0 | 112.4 | T1290 L1294 A1295 C1296 V1304 L1307 L1308 A1312 P1324 | T1290-L1292 PolarHBondContact O-N 2.83Å; T1290-L1292 PolarHBondContact OG1-N 3.19Å; L1292-L1294 VanDerWaalsContact C-N 3.3Å; L1292-L1294 PolarHBondContact O-N 2.84Å; L1292-A1295 PolarHBondContact O-N 2.9Å; L1292-C1296 WeakPolarHBondContact O-CB 3.22Å; L1292-C1296 PolarHBondContact O-N 3.14Å; L1292-C1296 PolarHBondContact O-SG 3.27Å; L1292-V1304 HydrophobicContact CD1-CB 4.47Å; L1292-V1304 HydrophobicContact CD1-CG1 4.02Å; L1292-L1307 HydrophobicContact CB-CD1 4.42Å; L1292-L1307 HydrophobicContact CD1-CB 4.17Å; L1292-L1308 HydrophobicContact CD1-CD2 4.3Å; L1292-L1308 HydrophobicContact CD1-CG 4.18Å; L1292-L1308 HydrophobicContact CD2-CD2 3.97Å; L1292-A1312 HydrophobicContact CB-CB 4.02Å; L1292-A1312 HydrophobicContact CD2-CB 3.88Å; L1292-A1312 HydrophobicContact CG-CB 4.37Å; L1292-P1324 HydrophobicContact CD2-CB 4.21Å; L1292-P1324 HydrophobicContact CD2-CG 3.8Å; L1292-P1324 HydrophobicContact CG-CB 4.32Å; L1292-P1324 HydrophobicContact CG-CG 4.15Å |
| 1293 | T | 96 | Very high | 94.6 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.8 | -36 | 179 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | E1289 T1290 C1296 S1297 P1324 | E1289-T1293 WeakPolarHBondContact CA-OG1 3.48Å; E1289-T1293 WeakPolarHBondContact CB-OG1 3.41Å; T1290-T1293 PolarHBondContact N-OG1 2.81Å; T1290-T1293 PolarHBondContact O-N 3.09Å; T1290-T1293 PolarHBondContact O-OG1 3.24Å; T1290-T1293 VanDerWaalsContact O-OG1 3.08Å; T1290-T1293 PolarHBondContact OG1-N 3.35Å; T1293-C1296 PolarHBondContact O-N 3.34Å; T1293-S1297 WeakPolarHBondContact O-CB 3.19Å; T1293-S1297 PolarHBondContact O-N 3.15Å; T1293-P1324 HydrophobicContact CG2-CG 4.02Å |
| 1294 | L | 95.1 | Very high | 94.8 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -46.4 | 173.8 | -66.4 | 174.3 | 0 | 0 | 0 | 111.6 | I540 R544 E1289 T1290 L1292 C1296 S1297 G1298 | I540-L1294 HydrophobicContact CG2-CD1 3.71Å; R544-L1294 HydrophobicContact CG-CD1 4.04Å; E1289-L1294 HydrophobicContact CB-CD2 4.4Å; E1289-L1294 HydrophobicContact CB-CG 4.44Å; T1290-L1294 WeakPolarHBondContact O-CG 3.32Å; T1290-L1294 PolarHBondContact O-N 3Å; L1292-L1294 VanDerWaalsContact C-N 3.3Å; L1292-L1294 PolarHBondContact O-N 2.84Å; L1294-C1296 VanDerWaalsContact C-N 3.31Å; L1294-C1296 PolarHBondContact O-N 2.95Å; L1294-S1297 WeakPolarHBondContact O-CB 3.22Å; L1294-S1297 PolarHBondContact O-N 3.38Å; L1294-S1297 VanDerWaalsContact O-N 3.13Å; L1294-G1298 PolarHBondContact O-N 3.02Å |
| 1295 | A | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1291 L1292 G1299 F1300 L1303 V1304 L1307 | A1291-A1295 VanDerWaalsContact O-CB 3.31Å; A1291-A1295 WeakPolarHBondContact O-CB 3.24Å; A1291-A1295 PolarHBondContact O-N 3.42Å; L1292-A1295 PolarHBondContact O-N 2.9Å; A1295-G1299 PolarHBondContact O-N 3.17Å; A1295-F1300 HydrophobicContact CB-CB 4.45Å; A1295-F1300 PolarHBondContact O-N 3.01Å; A1295-L1303 HydrophobicContact CB-CB 3.94Å; A1295-V1304 HydrophobicContact CB-CG2 3.78Å; A1295-L1307 HydrophobicContact CB-CD1 3.95Å |
| 1296 | C | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69 | -33.4 | 173.8 | -70.9 | 0 | 0 | 0 | 0 | 113.2 | L1292 T1293 L1294 A1328 V1336 | L1292-C1296 WeakPolarHBondContact O-CB 3.22Å; L1292-C1296 PolarHBondContact O-N 3.14Å; L1292-C1296 PolarHBondContact O-SG 3.27Å; T1293-C1296 PolarHBondContact O-N 3.34Å; L1294-C1296 VanDerWaalsContact C-N 3.31Å; L1294-C1296 PolarHBondContact O-N 2.95Å; C1296-A1328 HydrophobicContact CB-CB 4.39Å; C1296-V1336 HydrophobicContact CB-CG1 3.97Å |
| 1297 | S | 95.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 28.5 Ų | 28.5 | 41% | 0.406 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -68.8 | -47.5 | 175.3 | -164.9 | 0 | 0 | 0 | 0 | 111.4 | T1293 L1294 G1299 A1331 Q1333 | T1293-S1297 WeakPolarHBondContact O-CB 3.19Å; T1293-S1297 PolarHBondContact O-N 3.15Å; L1294-S1297 WeakPolarHBondContact O-CB 3.22Å; L1294-S1297 PolarHBondContact O-N 3.38Å; L1294-S1297 VanDerWaalsContact O-N 3.13Å; S1297-G1299 PolarHBondContact O-N 3.21Å; S1297-A1331 WeakPolarHBondContact O-CB 3.38Å; S1297-Q1333 PolarHBondContact O-NE2 3.32Å |
| 1298 | G | 92.1 | Very high | 95.7 | Very high | 29 Ų | 29 | 28.3 Ų | 28.3 | 30% | 0.299 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1294 F1300 | L1294-G1298 PolarHBondContact O-N 3.02Å; G1298-F1300 VanDerWaalsContact C-N 3.3Å; G1298-F1300 WeakPolarHBondContact O-CD1 3.48Å; G1298-F1300 WeakPolarHBondContact O-CE1 3.26Å; G1298-F1300 PolarHBondContact O-N 3.37Å |
| 1299 | G | 95 | Very high | 95.7 | Very high | 15 Ų | 15 | 30 Ų | 30 | 16% | 0.155 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 15 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1295 S1297 V1301 | A1295-G1299 PolarHBondContact O-N 3.17Å; S1297-G1299 PolarHBondContact O-N 3.21Å; G1299-V1301 VanDerWaalsContact C-N 3.32Å; G1299-V1301 PolarHBondContact O-N 3.15Å |
| 1300 | F | 95.4 | Very high | 95.6 | Very high | 59 Ų | 59 | 31.1 Ų | 31.1 | 26% | 0.259 | 16% | 0.163 | S | C | . | . | trans | -77.7 | 73.9 | -168.5 | -55.6 | -37.8 | 0 | 0 | 0 | 112.3 | G546 A1295 G1298 D1302 L1303 V1304 | G546-F1300 VanDerWaalsContact CA-CD2 3.41Å; A1295-F1300 HydrophobicContact CB-CB 4.45Å; A1295-F1300 PolarHBondContact O-N 3.01Å; G1298-F1300 VanDerWaalsContact C-N 3.3Å; G1298-F1300 WeakPolarHBondContact O-CD1 3.48Å; G1298-F1300 WeakPolarHBondContact O-CE1 3.26Å; G1298-F1300 PolarHBondContact O-N 3.37Å; F1300-D1302 VanDerWaalsContact C-N 3.27Å; F1300-D1302 PolarHBondContact O-N 3.31Å; F1300-D1302 VanDerWaalsContact O-N 3.11Å; F1300-L1303 HydrophobicContact CB-CB 3.95Å; F1300-L1303 HydrophobicContact CB-CD1 4.12Å; F1300-L1303 HydrophobicContact CB-CD2 4.45Å; F1300-L1303 HydrophobicContact CB-CG 4.39Å; F1300-L1303 HydrophobicContact CD2-CD2 4.35Å; F1300-L1303 WeakPolarHBondContact O-CA 3.47Å; F1300-L1303 PolarHBondContact O-N 3.36Å; F1300-V1304 WeakPolarHBondContact O-CG2 3.13Å; F1300-V1304 PolarHBondContact O-N 3.11Å | ||
| 1301 | V | 96.4 | Very high | 95.4 | Very high | 47 Ų | 47 | 33.4 Ų | 33.4 | 29% | 0.285 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -46.9 | -43.9 | -173.3 | -176.6 | 0 | 0 | 0 | 0 | 113.5 | G1299 R1305 V1336 L1339 | G1299-V1301 VanDerWaalsContact C-N 3.32Å; G1299-V1301 PolarHBondContact O-N 3.15Å; V1301-R1305 WeakPolarHBondContact O-CB 3.46Å; V1301-R1305 PolarHBondContact O-N 3.23Å; V1301-V1336 HydrophobicContact CG2-CG2 4.12Å; V1301-L1339 HydrophobicContact CG1-CD2 4.01Å |
| 1302 | D | 95.4 | Very high | 95.4 | Very high | 95 Ų | 95 | 33.8 Ų | 33.8 | 51% | 0.508 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -72.6 | -30.8 | -180 | -77.6 | -20 | 0 | 0 | 0 | 113.6 | F1300 L1306 | F1300-D1302 VanDerWaalsContact C-N 3.27Å; F1300-D1302 PolarHBondContact O-N 3.31Å; F1300-D1302 VanDerWaalsContact O-N 3.11Å; D1302-L1306 VanDerWaalsContact O-CB 3.24Å; D1302-L1306 WeakPolarHBondContact O-CB 3.28Å; D1302-L1306 PolarHBondContact O-N 2.78Å |
| 1303 | L | 95.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.8 | -43.5 | 173.1 | -82.3 | 74.2 | 0 | 0 | 0 | 110.1 | G546 P548 L551 A1295 F1300 R1305 L1306 L1307 | G546-L1303 WeakPolarHBondContact O-CD1 3.38Å; P548-L1303 HydrophobicContact CB-CD1 3.74Å; P548-L1303 HydrophobicContact CG-CD1 4.26Å; L551-L1303 HydrophobicContact CD2-CB 4.17Å; L551-L1303 HydrophobicContact CD2-CD2 4.12Å; L551-L1303 HydrophobicContact CD2-CG 3.85Å; A1295-L1303 HydrophobicContact CB-CB 3.94Å; F1300-L1303 HydrophobicContact CB-CB 3.95Å; F1300-L1303 HydrophobicContact CB-CD1 4.12Å; F1300-L1303 HydrophobicContact CB-CD2 4.45Å; F1300-L1303 HydrophobicContact CB-CG 4.39Å; F1300-L1303 HydrophobicContact CD2-CD2 4.35Å; F1300-L1303 WeakPolarHBondContact O-CA 3.47Å; F1300-L1303 PolarHBondContact O-N 3.36Å; L1303-R1305 VanDerWaalsContact C-N 3.33Å; L1303-R1305 PolarHBondContact O-N 3.35Å; L1303-L1306 PolarHBondContact O-N 3.36Å; L1303-L1307 VanDerWaalsContact O-CB 3.3Å; L1303-L1307 WeakPolarHBondContact O-CB 3.38Å; L1303-L1307 WeakPolarHBondContact O-CD1 3.18Å; L1303-L1307 VanDerWaalsContact O-CG 3.22Å; L1303-L1307 WeakPolarHBondContact O-CG 3.5Å; L1303-L1307 PolarHBondContact O-N 2.9Å |
| 1304 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.2 | -48.2 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 110 | L1292 A1295 F1300 L1307 L1308 V1336 L1339 L1340 | L1292-V1304 HydrophobicContact CD1-CB 4.47Å; L1292-V1304 HydrophobicContact CD1-CG1 4.02Å; A1295-V1304 HydrophobicContact CB-CG2 3.78Å; F1300-V1304 WeakPolarHBondContact O-CG2 3.13Å; F1300-V1304 PolarHBondContact O-N 3.11Å; V1304-L1307 PolarHBondContact O-N 2.65Å; V1304-L1308 HydrophobicContact CG1-CD1 3.77Å; V1304-L1308 HydrophobicContact CG1-CG 4.46Å; V1304-L1308 WeakPolarHBondContact O-CB 3.4Å; V1304-L1308 WeakPolarHBondContact O-CD1 3.38Å; V1304-L1308 WeakPolarHBondContact O-CG 3.29Å; V1304-L1308 PolarHBondContact O-N 3.04Å; V1304-V1336 HydrophobicContact CG1-CG1 4.33Å; V1304-V1336 HydrophobicContact CG2-CG1 4.19Å; V1304-V1336 HydrophobicContact CG2-CG2 4.34Å; V1304-L1339 HydrophobicContact CB-CD2 4.08Å; V1304-L1339 HydrophobicContact CG1-CD2 3.75Å; V1304-L1339 HydrophobicContact CG1-CG 4.41Å; V1304-L1340 HydrophobicContact CG1-CD2 4.38Å |
| 1305 | R | 97 | Very high | 95.4 | Very high | 95 Ų | 95 | 41.4 Ų | 41.4 | 36% | 0.358 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56 | -54 | 174.3 | 179.2 | -179.8 | -55.7 | -71.8 | -6.1 | 111.5 | V1301 L1303 L1307 L1308 E1309 L1339 | V1301-R1305 WeakPolarHBondContact O-CB 3.46Å; V1301-R1305 PolarHBondContact O-N 3.23Å; L1303-R1305 VanDerWaalsContact C-N 3.33Å; L1303-R1305 PolarHBondContact O-N 3.35Å; R1305-L1307 PolarHBondContact O-N 3.38Å; R1305-L1308 PolarHBondContact O-N 2.93Å; R1305-E1309 WeakPolarHBondContact CD-OE1 3.28Å; R1305-E1309 HydrophobicContact CG-CG 4.41Å; R1305-E1309 WeakPolarHBondContact CG-OE1 3.42Å; R1305-E1309 WeakPolarHBondContact O-CB 3.42Å; R1305-E1309 VanDerWaalsContact O-CG 3.3Å; R1305-E1309 WeakPolarHBondContact O-CG 3.45Å; R1305-E1309 PolarHBondContact O-N 2.82Å; R1305-L1339 HydrophobicContact CB-CD2 4.07Å |
| 1306 | L | 94.8 | Very high | 95.3 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | -177.5 | 178.1 | 57.4 | 0 | 0 | 0 | 112.2 | L551 R552 L555 D1302 L1303 E1309 R1310 | L551-L1306 HydrophobicContact CD2-CD2 4.15Å; R552-L1306 HydrophobicContact CG-CD2 3.52Å; L555-L1306 HydrophobicContact CD1-CD2 4.14Å; L555-L1306 HydrophobicContact CD1-CG 4.07Å; D1302-L1306 VanDerWaalsContact O-CB 3.24Å; D1302-L1306 WeakPolarHBondContact O-CB 3.28Å; D1302-L1306 PolarHBondContact O-N 2.78Å; L1303-L1306 PolarHBondContact O-N 3.36Å; L1306-E1309 PolarHBondContact O-N 3.13Å; L1306-R1310 HydrophobicContact CD1-CG 4.27Å; L1306-R1310 WeakPolarHBondContact O-CG 3.22Å; L1306-R1310 PolarHBondContact O-N 3.2Å |
| 1307 | L | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -44.2 | 178.1 | -73.1 | 166.1 | 0 | 0 | 0 | 111.6 | L551 V1280 A1291 L1292 A1295 L1303 V1304 R1305 R1310 G1311 A1312 | L551-L1307 HydrophobicContact CD2-CD1 4.2Å; L551-L1307 HydrophobicContact CD2-CD2 3.97Å; L551-L1307 HydrophobicContact CD2-CG 3.82Å; V1280-L1307 HydrophobicContact CG1-CD2 4Å; A1291-L1307 HydrophobicContact CB-CD1 4.09Å; A1291-L1307 HydrophobicContact CB-CD2 4.03Å; A1291-L1307 WeakPolarHBondContact O-CD1 3.36Å; L1292-L1307 HydrophobicContact CB-CD1 4.42Å; L1292-L1307 HydrophobicContact CD1-CB 4.17Å; A1295-L1307 HydrophobicContact CB-CD1 3.95Å; L1303-L1307 VanDerWaalsContact O-CB 3.3Å; L1303-L1307 WeakPolarHBondContact O-CB 3.38Å; L1303-L1307 WeakPolarHBondContact O-CD1 3.18Å; L1303-L1307 VanDerWaalsContact O-CG 3.22Å; L1303-L1307 WeakPolarHBondContact O-CG 3.5Å; L1303-L1307 PolarHBondContact O-N 2.9Å; V1304-L1307 PolarHBondContact O-N 2.65Å; R1305-L1307 PolarHBondContact O-N 3.38Å; L1307-R1310 CarbonylContact O-C 3.56Å; L1307-R1310 PolarHBondContact O-N 2.94Å; L1307-R1310 VanDerWaalsContact O-N 3.13Å; L1307-G1311 PolarHBondContact O-N 3.32Å; L1307-G1311 VanDerWaalsContact O-N 3.13Å; L1307-A1312 HydrophobicContact CB-CB 3.88Å; L1307-A1312 VanDerWaalsContact O-CB 3.23Å; L1307-A1312 WeakPolarHBondContact O-CB 3.48Å; L1307-A1312 PolarHBondContact O-N 3.37Å |
| 1308 | L | 96 | Very high | 95.1 | Very high | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 174.3 | -66.8 | 167.6 | 0 | 0 | 0 | 111.7 | L1292 V1304 R1305 R1310 G1311 K1314 L1340 Y1343 | L1292-L1308 HydrophobicContact CD1-CD2 4.3Å; L1292-L1308 HydrophobicContact CD1-CG 4.18Å; L1292-L1308 HydrophobicContact CD2-CD2 3.97Å; V1304-L1308 HydrophobicContact CG1-CD1 3.77Å; V1304-L1308 HydrophobicContact CG1-CG 4.46Å; V1304-L1308 WeakPolarHBondContact O-CB 3.4Å; V1304-L1308 WeakPolarHBondContact O-CD1 3.38Å; V1304-L1308 WeakPolarHBondContact O-CG 3.29Å; V1304-L1308 PolarHBondContact O-N 3.04Å; R1305-L1308 PolarHBondContact O-N 2.93Å; L1308-R1310 PolarHBondContact O-N 2.86Å; L1308-G1311 PolarHBondContact O-N 3.42Å; L1308-K1314 HydrophobicContact CD2-CB 3.9Å; L1308-L1340 HydrophobicContact CD1-CD2 4.19Å; L1308-Y1343 HydrophobicContact CB-CD1 3.68Å; L1308-Y1343 HydrophobicContact CB-CE1 3.64Å; L1308-Y1343 HydrophobicContact CB-CG 4.36Å; L1308-Y1343 HydrophobicContact CD1-CD1 4.04Å; L1308-Y1343 HydrophobicContact CD1-CD2 4.16Å; L1308-Y1343 HydrophobicContact CD1-CE1 4.49Å; L1308-Y1343 HydrophobicContact CD1-CG 3.85Å; L1308-Y1343 HydrophobicContact CG-CD1 4.32Å |
| 1309 | E | 94 | Very high | 95.1 | Very high | 112 Ų | 112 | 50.2 Ų | 50.2 | 52% | 0.523 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -25.7 | 173.1 | -73.6 | 172.1 | -171.1 | 0 | 0 | 113.1 | R1305 L1306 Y1343 | R1305-E1309 WeakPolarHBondContact CD-OE1 3.28Å; R1305-E1309 HydrophobicContact CG-CG 4.41Å; R1305-E1309 WeakPolarHBondContact CG-OE1 3.42Å; R1305-E1309 WeakPolarHBondContact O-CB 3.42Å; R1305-E1309 VanDerWaalsContact O-CG 3.3Å; R1305-E1309 WeakPolarHBondContact O-CG 3.45Å; R1305-E1309 PolarHBondContact O-N 2.82Å; L1306-E1309 PolarHBondContact O-N 3.13Å; E1309-Y1343 WeakPolarHBondContact CG-OH 3.41Å |
| 1310 | R | 91.8 | Very high | 94.9 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 5 | 171.8 | -58.3 | -39.4 | 175.9 | 82.7 | -1.3 | 114.2 | L555 D556 V1280 L1306 L1307 L1308 | L555-R1310 HydrophobicContact CD1-CG 4.1Å; L555-R1310 HydrophobicContact CD2-CG 4.5Å; D556-R1310 IonicContact OD1-CZ 3.32Å; D556-R1310 IonicContact OD1-NH1 3.09Å; D556-R1310 PolarHBondContact OD1-NH1 2.91Å; D556-R1310 IonicContact OD1-NH2 3.45Å; D556-R1310 PolarHBondContact OD1-NH2 2.91Å; D556-R1310 VanDerWaalsContact OD1-NH2 3.14Å; D556-R1310 IonicContact OD2-CZ 3.23Å; D556-R1310 IonicContact OD2-NH1 2.76Å; D556-R1310 IonicContact OD2-NH2 2.64Å; D556-R1310 PolarHBondContact OD2-NH2 3.32Å; V1280-R1310 HydrophobicContact CG1-CB 4.47Å; V1280-R1310 HydrophobicContact CG2-CB 4.21Å; L1306-R1310 HydrophobicContact CD1-CG 4.27Å; L1306-R1310 WeakPolarHBondContact O-CG 3.22Å; L1306-R1310 PolarHBondContact O-N 3.2Å; L1307-R1310 CarbonylContact O-C 3.56Å; L1307-R1310 PolarHBondContact O-N 2.94Å; L1307-R1310 VanDerWaalsContact O-N 3.13Å; L1308-R1310 PolarHBondContact O-N 2.86Å |
| 1311 | G | 92.8 | Very high | 94.8 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 29.5 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | N1281 L1307 L1308 | N1281-G1311 PolarHBondContact ND2-O 3.14Å; L1307-G1311 PolarHBondContact O-N 3.32Å; L1307-G1311 VanDerWaalsContact O-N 3.13Å; L1308-G1311 PolarHBondContact O-N 3.42Å |
| 1312 | A | 95.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | trans | -64 | 138.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1280 N1281 L1292 L1307 K1314 | V1280-A1312 HydrophobicContact CG1-CB 3.81Å; N1281-A1312 WeakPolarHBondContact OD1-CA 3.3Å; L1292-A1312 HydrophobicContact CB-CB 4.02Å; L1292-A1312 HydrophobicContact CD2-CB 3.88Å; L1292-A1312 HydrophobicContact CG-CB 4.37Å; L1307-A1312 HydrophobicContact CB-CB 3.88Å; L1307-A1312 VanDerWaalsContact O-CB 3.23Å; L1307-A1312 WeakPolarHBondContact O-CB 3.48Å; L1307-A1312 PolarHBondContact O-N 3.37Å; A1312-K1314 PolarHBondContact O-N 3.01Å | ||
| 1313 | D | 96.4 | Very high | 94.8 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 40% | 0.396 | 21% | 0.211 | S | C | . | . | trans | -78.7 | 107.4 | -177.9 | -175 | 10.3 | 0 | 0 | 0 | 112 | N1281 E1315 H1316 | N1281-D1313 PolarHBondContact OD1-N 3.31Å; D1313-E1315 PolarHBondContact O-N 3.5Å; D1313-E1315 PolarHBondContact OD1-N 3.17Å; D1313-H1316 HydrophobicContact CB-CB 4.19Å; D1313-H1316 VanDerWaalsContact O-CB 3.28Å; D1313-H1316 WeakPolarHBondContact O-CB 3.41Å; D1313-H1316 PolarHBondContact O-N 2.93Å | ||
| 1314 | K | 96.1 | Very high | 94.9 | Very high | 61 Ų | 61 | 44 Ų | 44 | 27% | 0.265 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -15.8 | 176 | 68.9 | -176.8 | -173 | -65.3 | 0 | 114.5 | L1308 A1312 P1324 L1340 Y1343 G1344 A1345 | L1308-K1314 HydrophobicContact CD2-CB 3.9Å; A1312-K1314 PolarHBondContact O-N 3.01Å; K1314-P1324 WeakPolarHBondContact O-CD 3.29Å; K1314-P1324 WeakPolarHBondContact O-CG 3.38Å; K1314-L1340 HydrophobicContact CB-CD2 4.46Å; K1314-Y1343 WeakPolarHBondContact CD-O 3.41Å; K1314-Y1343 WeakPolarHBondContact CE-O 3.34Å; K1314-G1344 WeakPolarHBondContact CE-O 3.3Å; K1314-A1345 HydrophobicContact CD-CB 4.16Å; K1314-A1345 HydrophobicContact CG-CB 4.47Å |
| 1315 | E | 96.4 | Very high | 95 | Very high | 56 Ų | 56 | 44 Ų | 44 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 3.6 | 176.6 | -59.9 | -52.3 | 144.1 | 0 | 0 | 113.4 | D1313 A1345 D1346 | D1313-E1315 PolarHBondContact O-N 3.5Å; D1313-E1315 PolarHBondContact OD1-N 3.17Å; E1315-A1345 WeakPolarHBondContact OE1-CA 3.46Å; E1315-D1346 PolarHBondContact OE1-N 3.49Å |
| 1316 | H | 96 | Very high | 95 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | trans | -52.5 | 145.4 | 175.6 | 176.8 | 69.4 | 0 | 0 | 0 | 111.6 | M1288 D1313 T1323 P1324 | M1288-H1316 PolarHBondContact O-NE2 2.92Å; D1313-H1316 HydrophobicContact CB-CB 4.19Å; D1313-H1316 VanDerWaalsContact O-CB 3.28Å; D1313-H1316 WeakPolarHBondContact O-CB 3.41Å; D1313-H1316 PolarHBondContact O-N 2.93Å; H1316-T1323 WeakPolarHBondContact O-CA 3.47Å; H1316-P1324 WeakPolarHBondContact O-CD 3.44Å | ||
| 1317 | R | 94.7 | Very high | 95.1 | Very high | 83 Ų | 83 | 40.1 Ų | 40.1 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | trans | -120.4 | 125.2 | -176.4 | -76 | 172.5 | 178.3 | -98 | -3.6 | 112.4 | S1321 H1322 T1323 Q1350 D1352 | R1317-S1321 PolarHBondContact NH1-O 3.08Å; R1317-S1321 PolarHBondContact NH1-OG 2.93Å; R1317-H1322 WeakPolarHBondContact CA-O 3.35Å; R1317-T1323 HydrophobicContact CG-CG2 4.08Å; R1317-Q1350 PolarHBondContact NH1-O 3.33Å; R1317-Q1350 PolarHBondContact NH2-O 3.01Å; R1317-D1352 IonicContact NH1-OD2 3.31Å | ||
| 1318 | D | 93.1 | Very high | 95.2 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | trans | -71.4 | -180 | 172.1 | 89.9 | -27.4 | 0 | 0 | 0 | 111.7 | K1320 S1321 H1322 | D1318-K1320 VanDerWaalsContact CG-N 3.3Å; D1318-K1320 PolarHBondContact O-N 2.93Å; D1318-K1320 VanDerWaalsContact OD1-C 3.3Å; D1318-K1320 VanDerWaalsContact OD1-CA 3.24Å; D1318-K1320 WeakPolarHBondContact OD1-CA 3.47Å; D1318-K1320 VanDerWaalsContact OD1-CB 3.28Å; D1318-K1320 WeakPolarHBondContact OD1-CB 3.12Å; D1318-K1320 PolarHBondContact OD1-N 3.01Å; D1318-K1320 WeakPolarHBondContact OD2-CB 3.1Å; D1318-K1320 WeakPolarHBondContact OD2-CG 3.38Å; D1318-K1320 PolarHBondContact OD2-N 2.91Å; D1318-S1321 WeakPolarHBondContact O-CA 3.3Å; D1318-S1321 PolarHBondContact O-N 3.34Å; D1318-S1321 PolarHBondContact OD1-N 2.84Å; D1318-H1322 PolarHBondContact N-O 2.94Å; D1318-H1322 WeakPolarHBondContact OD1-CB 3.27Å; D1318-H1322 IonicContact OD1-CG 4Å; D1318-H1322 PolarHBondContact OD1-N 3.3Å | ||
| 1319 | K | 92.3 | Very high | 95.2 | Very high | 139 Ų | 139 | 39.4 Ų | 39.4 | 60% | 0.604 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.2 | 177.3 | -173.6 | 174.1 | -176.9 | -178.4 | 0 | 114.4 | S1286 S1287 M1288 | S1286-K1319 WeakPolarHBondContact O-CD 3.43Å; S1286-K1319 WeakPolarHBondContact O-CE 3.32Å; S1286-K1319 PolarHBondContact O-NZ 2.85Å; S1287-K1319 WeakPolarHBondContact O-CB 3.48Å; S1287-K1319 PolarHBondContact O-N 2.95Å; M1288-K1319 HydrophobicContact CG-CB 4.42Å |
| 1320 | K | 90.4 | Very high | 95.3 | Very high | 49 Ų | 49 | 36.5 Ų | 36.5 | 21% | 0.213 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -11.1 | 169.6 | -53.9 | -177.6 | 173.3 | -173.6 | 0 | 111.8 | M1022 S1023 D1318 H1322 V1351 | M1022-K1320 HydrophobicContact CE-CB 3.92Å; M1022-K1320 HydrophobicContact CE-CD 3.86Å; M1022-K1320 HydrophobicContact CE-CG 3.66Å; M1022-K1320 HydrophobicContact CG-CG 4.38Å; M1022-K1320 HydrophobicContact SD-CG 4.11Å; S1023-K1320 PolarHBondContact O-NZ 3.34Å; D1318-K1320 VanDerWaalsContact CG-N 3.3Å; D1318-K1320 PolarHBondContact O-N 2.93Å; D1318-K1320 VanDerWaalsContact OD1-C 3.3Å; D1318-K1320 VanDerWaalsContact OD1-CA 3.24Å; D1318-K1320 WeakPolarHBondContact OD1-CA 3.47Å; D1318-K1320 VanDerWaalsContact OD1-CB 3.28Å; D1318-K1320 WeakPolarHBondContact OD1-CB 3.12Å; D1318-K1320 PolarHBondContact OD1-N 3.01Å; D1318-K1320 WeakPolarHBondContact OD2-CB 3.1Å; D1318-K1320 WeakPolarHBondContact OD2-CG 3.38Å; D1318-K1320 PolarHBondContact OD2-N 2.91Å; K1320-H1322 VanDerWaalsContact C-N 3.34Å; K1320-H1322 VanDerWaalsContact CB-CD2 3.49Å; K1320-H1322 WeakPolarHBondContact CB-CD2 3.24Å; K1320-V1351 WeakPolarHBondContact O-CG1 3.36Å |
| 1321 | S | 93.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | trans | 65.3 | 33.2 | -166.8 | -161.5 | 0 | 0 | 0 | 0 | 113.1 | R1317 D1318 D1352 | R1317-S1321 PolarHBondContact NH1-O 3.08Å; R1317-S1321 PolarHBondContact NH1-OG 2.93Å; D1318-S1321 WeakPolarHBondContact O-CA 3.3Å; D1318-S1321 PolarHBondContact O-N 3.34Å; D1318-S1321 PolarHBondContact OD1-N 2.84Å; S1321-D1352 PolarHBondContact OG-OD2 3.5Å | ||
| 1322 | H | 95.2 | Very high | 95.5 | Very high | 27 Ų | 27 | 33.5 Ų | 33.5 | 13% | 0.125 | 17% | 0.167 | C | C | . | . | trans | -83.3 | 139.6 | 165.8 | -68.8 | -158.1 | 0 | 0 | 0 | 109.4 | R1317 D1318 K1320 H1326 | R1317-H1322 WeakPolarHBondContact CA-O 3.35Å; D1318-H1322 PolarHBondContact N-O 2.94Å; D1318-H1322 WeakPolarHBondContact OD1-CB 3.27Å; D1318-H1322 IonicContact OD1-CG 4Å; D1318-H1322 PolarHBondContact OD1-N 3.3Å; K1320-H1322 VanDerWaalsContact C-N 3.34Å; K1320-H1322 VanDerWaalsContact CB-CD2 3.49Å; K1320-H1322 WeakPolarHBondContact CB-CD2 3.24Å; H1322-H1326 HydrophobicContact CB-CB 3.79Å | ||
| 1323 | T | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -90 | 165.7 | 167.4 | 56.7 | 0 | 0 | 0 | 0 | 110 | H1316 R1317 L1325 H1326 T1327 A1349 | H1316-T1323 WeakPolarHBondContact O-CA 3.47Å; R1317-T1323 HydrophobicContact CG-CG2 4.08Å; T1323-L1325 PolarHBondContact O-N 2.92Å; T1323-H1326 PolarHBondContact N-ND1 3.35Å; T1323-H1326 WeakPolarHBondContact O-CA 3.21Å; T1323-H1326 WeakPolarHBondContact O-CB 3.32Å; T1323-H1326 PolarHBondContact O-N 2.99Å; T1323-H1326 PolarHBondContact OG1-N 2.66Å; T1323-H1326 PolarHBondContact OG1-ND1 3.23Å; T1323-T1327 PolarHBondContact O-N 3.32Å; T1323-T1327 PolarHBondContact O-OG1 3.25Å; T1323-A1349 HydrophobicContact CG2-CB 4.37Å | ||
| 1324 | P | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -42.7 | -37.1 | 165.9 | -34.4 | 35.6 | 0 | 0 | 0 | 114.5 | L1292 T1293 K1314 H1316 A1328 L1340 | L1292-P1324 HydrophobicContact CD2-CB 4.21Å; L1292-P1324 HydrophobicContact CD2-CG 3.8Å; L1292-P1324 HydrophobicContact CG-CB 4.32Å; L1292-P1324 HydrophobicContact CG-CG 4.15Å; T1293-P1324 HydrophobicContact CG2-CG 4.02Å; K1314-P1324 WeakPolarHBondContact O-CD 3.29Å; K1314-P1324 WeakPolarHBondContact O-CG 3.38Å; H1316-P1324 WeakPolarHBondContact O-CD 3.44Å; P1324-A1328 WeakPolarHBondContact O-CB 3.29Å; P1324-A1328 PolarHBondContact O-N 3.19Å; P1324-L1340 HydrophobicContact CB-CD1 4.17Å; P1324-L1340 HydrophobicContact CB-CD2 4.04Å; P1324-L1340 WeakPolarHBondContact O-CD1 3.37Å |
| 1325 | L | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.3 | -48.3 | 174.6 | -177.2 | 63.5 | 0 | 0 | 0 | 112.1 | T1323 T1327 A1328 V1329 V1337 L1340 L1341 D1346 A1358 | T1323-L1325 PolarHBondContact O-N 2.92Å; L1325-T1327 VanDerWaalsContact C-N 3.31Å; L1325-T1327 PolarHBondContact O-N 3.44Å; L1325-A1328 PolarHBondContact O-N 3.39Å; L1325-V1329 WeakPolarHBondContact O-CG2 3.32Å; L1325-V1329 PolarHBondContact O-N 3.23Å; L1325-V1337 HydrophobicContact CD1-CB 4.48Å; L1325-V1337 HydrophobicContact CD1-CG1 4.01Å; L1325-V1337 HydrophobicContact CD1-CG2 4.43Å; L1325-L1340 HydrophobicContact CB-CD1 4.39Å; L1325-L1340 HydrophobicContact CD1-CB 4.41Å; L1325-L1340 HydrophobicContact CD1-CD1 4.5Å; L1325-L1341 HydrophobicContact CD1-CD2 4.28Å; L1325-L1341 HydrophobicContact CD1-CG 4.19Å; L1325-L1341 HydrophobicContact CD2-CD2 3.96Å; L1325-D1346 WeakPolarHBondContact CD2-O 3.38Å; L1325-A1358 HydrophobicContact CD2-CB 4.04Å; L1325-A1358 HydrophobicContact CG-CB 4.17Å |
| 1326 | H | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -41.3 | 174.4 | -67.8 | 142.5 | 0 | 0 | 0 | 112.3 | H1322 T1323 V1329 C1330 A1349 A1358 I1361 | H1322-H1326 HydrophobicContact CB-CB 3.79Å; T1323-H1326 PolarHBondContact N-ND1 3.35Å; T1323-H1326 WeakPolarHBondContact O-CA 3.21Å; T1323-H1326 WeakPolarHBondContact O-CB 3.32Å; T1323-H1326 PolarHBondContact O-N 2.99Å; T1323-H1326 PolarHBondContact OG1-N 2.66Å; T1323-H1326 PolarHBondContact OG1-ND1 3.23Å; H1326-V1329 PolarHBondContact O-N 3.3Å; H1326-C1330 WeakPolarHBondContact O-CB 3.35Å; H1326-C1330 PolarHBondContact O-N 2.85Å; H1326-C1330 PolarHBondContact O-SG 2.95Å; H1326-C1330 VanDerWaalsContact O-SG 3.35Å; H1326-A1349 PolarHBondContact CE1-O 3.06Å; H1326-A1349 PolarHBondContact NE2-O 3.33Å; H1326-A1358 PolarHBondContact NE2-N 3.19Å; H1326-I1361 HydrophobicContact CB-CD1 4.21Å |
| 1327 | T | 96.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | T1323 L1325 V1329 C1330 A1331 | T1323-T1327 PolarHBondContact O-N 3.32Å; T1323-T1327 PolarHBondContact O-OG1 3.25Å; L1325-T1327 VanDerWaalsContact C-N 3.31Å; L1325-T1327 PolarHBondContact O-N 3.44Å; T1327-V1329 VanDerWaalsContact C-N 3.33Å; T1327-V1329 PolarHBondContact O-N 2.96Å; T1327-C1330 PolarHBondContact O-N 2.98Å; T1327-A1331 WeakPolarHBondContact O-CB 3.32Å; T1327-A1331 PolarHBondContact O-N 3.02Å |
| 1328 | A | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1296 P1324 L1325 N1332 Q1333 V1336 V1337 L1340 | C1296-A1328 HydrophobicContact CB-CB 4.39Å; P1324-A1328 WeakPolarHBondContact O-CB 3.29Å; P1324-A1328 PolarHBondContact O-N 3.19Å; L1325-A1328 PolarHBondContact O-N 3.39Å; A1328-N1332 PolarHBondContact O-N 2.93Å; A1328-Q1333 HydrophobicContact CB-CB 4.48Å; A1328-Q1333 PolarHBondContact O-N 2.69Å; A1328-V1336 HydrophobicContact CB-CB 4.15Å; A1328-V1336 HydrophobicContact CB-CG1 3.6Å; A1328-V1337 HydrophobicContact CB-CG2 3.79Å; A1328-L1340 HydrophobicContact CB-CD1 3.99Å |
| 1329 | V | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.5 | -47.1 | 174 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | L1325 H1326 T1327 A1331 N1332 V1337 A1358 I1361 A1362 I1370 L1374 | L1325-V1329 WeakPolarHBondContact O-CG2 3.32Å; L1325-V1329 PolarHBondContact O-N 3.23Å; H1326-V1329 PolarHBondContact O-N 3.3Å; T1327-V1329 VanDerWaalsContact C-N 3.33Å; T1327-V1329 PolarHBondContact O-N 2.96Å; V1329-A1331 VanDerWaalsContact C-N 3.29Å; V1329-A1331 PolarHBondContact O-N 3.09Å; V1329-N1332 PolarHBondContact O-N 3.05Å; V1329-N1332 VanDerWaalsContact O-N 3.11Å; V1329-V1337 HydrophobicContact CG2-CG2 3.85Å; V1329-A1358 HydrophobicContact CG2-CB 4.16Å; V1329-I1361 HydrophobicContact CG1-CB 4.1Å; V1329-I1361 HydrophobicContact CG1-CG2 3.89Å; V1329-A1362 HydrophobicContact CG1-CB 3.85Å; V1329-I1370 HydrophobicContact CG1-CG2 4.25Å; V1329-I1370 HydrophobicContact CG2-CG2 3.94Å; V1329-L1374 HydrophobicContact CG2-CD1 4.46Å |
| 1330 | C | 94.6 | Very high | 96.3 | Very high | 51 Ų | 51 | 22.7 Ų | 22.7 | 35% | 0.345 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -57.1 | -42.3 | 175.3 | -75.6 | 0 | 0 | 0 | 0 | 112.1 | H1326 T1327 N1332 | H1326-C1330 WeakPolarHBondContact O-CB 3.35Å; H1326-C1330 PolarHBondContact O-N 2.85Å; H1326-C1330 PolarHBondContact O-SG 2.95Å; H1326-C1330 VanDerWaalsContact O-SG 3.35Å; T1327-C1330 PolarHBondContact O-N 2.98Å; C1330-N1332 VanDerWaalsContact C-N 3.25Å; C1330-N1332 PolarHBondContact O-N 3.01Å |
| 1331 | A | 94.6 | Very high | 96.6 | Very high | 21 Ų | 21 | 21.3 Ų | 21.3 | 17% | 0.174 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 2.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1297 T1327 V1329 Q1333 | S1297-A1331 WeakPolarHBondContact O-CB 3.38Å; T1327-A1331 WeakPolarHBondContact O-CB 3.32Å; T1327-A1331 PolarHBondContact O-N 3.02Å; V1329-A1331 VanDerWaalsContact C-N 3.29Å; V1329-A1331 PolarHBondContact O-N 3.09Å; A1331-Q1333 VanDerWaalsContact C-N 3.31Å; A1331-Q1333 HydrophobicContact CB-CG 3.72Å; A1331-Q1333 PolarHBondContact O-N 2.81Å |
| 1332 | N | 95.5 | Very high | 96.8 | Very high | 49 Ų | 49 | 25.2 Ų | 25.2 | 26% | 0.262 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 26.9 | -179.6 | -161 | 34.4 | 0 | 0 | 0 | 115.1 | N1143 A1328 V1329 C1330 R1334 K1367 | N1143-N1332 PolarHBondContact OD1-ND2 2.94Å; A1328-N1332 PolarHBondContact O-N 2.93Å; V1329-N1332 PolarHBondContact O-N 3.05Å; V1329-N1332 VanDerWaalsContact O-N 3.11Å; C1330-N1332 VanDerWaalsContact C-N 3.25Å; C1330-N1332 PolarHBondContact O-N 3.01Å; N1332-R1334 PolarHBondContact O-N 3.41Å; N1332-K1367 HydrophobicContact CB-CD 4.35Å; N1332-K1367 WeakPolarHBondContact OD1-CD 3.43Å |
| 1333 | Q | 95.8 | Very high | 96.9 | Very high | 50 Ų | 50 | 27.9 Ų | 27.9 | 23% | 0.234 | 15% | 0.152 | C | C | . | . | trans | -91.3 | 73.5 | -169.6 | -58.6 | -65.2 | -2.8 | 0 | 0 | 112.8 | S1297 A1328 A1331 S1335 V1336 V1337 | S1297-Q1333 PolarHBondContact O-NE2 3.32Å; A1328-Q1333 HydrophobicContact CB-CB 4.48Å; A1328-Q1333 PolarHBondContact O-N 2.69Å; A1331-Q1333 VanDerWaalsContact C-N 3.31Å; A1331-Q1333 HydrophobicContact CB-CG 3.72Å; A1331-Q1333 PolarHBondContact O-N 2.81Å; Q1333-S1335 VanDerWaalsContact C-N 3.32Å; Q1333-S1335 PolarHBondContact O-N 3.5Å; Q1333-V1336 HydrophobicContact CB-CB 3.87Å; Q1333-V1336 HydrophobicContact CB-CG2 4.06Å; Q1333-V1336 WeakPolarHBondContact O-CB 3.18Å; Q1333-V1336 PolarHBondContact O-N 2.92Å; Q1333-V1337 PolarHBondContact O-N 2.91Å | ||
| 1334 | R | 95.5 | Very high | 96.8 | Very high | 79 Ų | 79 | 30.3 Ų | 30.3 | 30% | 0.298 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -48.1 | -47.5 | -176.6 | -172 | -171.3 | -175 | 153.1 | 7.6 | 113.7 | N1332 V1336 V1337 S1338 E1369 I1370 E1372 E1373 | N1332-R1334 PolarHBondContact O-N 3.41Å; R1334-V1336 VanDerWaalsContact C-N 3.3Å; R1334-V1336 PolarHBondContact O-N 3.46Å; R1334-V1337 WeakPolarHBondContact O-CB 3.29Å; R1334-V1337 PolarHBondContact O-N 3.43Å; R1334-S1338 PolarHBondContact O-N 3.29Å; R1334-E1369 WeakPolarHBondContact CD-OE2 3.26Å; R1334-E1369 IonicContact CZ-OE2 3.99Å; R1334-E1369 IonicContact NE-OE2 3.89Å; R1334-E1369 IonicContact NH1-OE2 3.1Å; R1334-E1369 PolarHBondContact NH1-OE2 2.91Å; R1334-I1370 HydrophobicContact CB-CG1 4.19Å; R1334-E1372 IonicContact NH2-OE2 2.68Å; R1334-E1373 IonicContact NE-OE2 2.69Å; R1334-E1373 IonicContact NH2-OE2 2.7Å; R1334-E1373 PolarHBondContact NH2-OE2 2.94Å |
| 1335 | S | 96.8 | Very high | 96.8 | Very high | 80 Ų | 80 | 30.7 Ų | 30.7 | 56% | 0.559 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -64 | -34.1 | -178.8 | -52.8 | 0 | 0 | 0 | 0 | 112.9 | Q1333 L1339 | Q1333-S1335 VanDerWaalsContact C-N 3.32Å; Q1333-S1335 PolarHBondContact O-N 3.5Å; S1335-L1339 WeakPolarHBondContact O-CB 3.29Å; S1335-L1339 PolarHBondContact O-N 3.49Å; S1335-L1339 VanDerWaalsContact O-N 3.11Å |
| 1336 | V | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74 | -39.7 | 174 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | C1296 V1301 V1304 A1328 Q1333 R1334 L1339 L1340 | C1296-V1336 HydrophobicContact CB-CG1 3.97Å; V1301-V1336 HydrophobicContact CG2-CG2 4.12Å; V1304-V1336 HydrophobicContact CG1-CG1 4.33Å; V1304-V1336 HydrophobicContact CG2-CG1 4.19Å; V1304-V1336 HydrophobicContact CG2-CG2 4.34Å; A1328-V1336 HydrophobicContact CB-CB 4.15Å; A1328-V1336 HydrophobicContact CB-CG1 3.6Å; Q1333-V1336 HydrophobicContact CB-CB 3.87Å; Q1333-V1336 HydrophobicContact CB-CG2 4.06Å; Q1333-V1336 WeakPolarHBondContact O-CB 3.18Å; Q1333-V1336 PolarHBondContact O-N 2.92Å; R1334-V1336 VanDerWaalsContact C-N 3.3Å; R1334-V1336 PolarHBondContact O-N 3.46Å; V1336-L1339 PolarHBondContact O-N 3.38Å; V1336-L1340 HydrophobicContact CG1-CD1 3.81Å; V1336-L1340 HydrophobicContact CG1-CG 4.23Å; V1336-L1340 WeakPolarHBondContact O-CB 3.29Å; V1336-L1340 WeakPolarHBondContact O-CG 3.42Å; V1336-L1340 PolarHBondContact O-N 2.93Å |
| 1337 | V | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 174.2 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L1325 A1328 V1329 Q1333 R1334 L1341 I1370 L1374 | L1325-V1337 HydrophobicContact CD1-CB 4.48Å; L1325-V1337 HydrophobicContact CD1-CG1 4.01Å; L1325-V1337 HydrophobicContact CD1-CG2 4.43Å; A1328-V1337 HydrophobicContact CB-CG2 3.79Å; V1329-V1337 HydrophobicContact CG2-CG2 3.85Å; Q1333-V1337 PolarHBondContact O-N 2.91Å; R1334-V1337 WeakPolarHBondContact O-CB 3.29Å; R1334-V1337 PolarHBondContact O-N 3.43Å; V1337-L1341 HydrophobicContact CG1-CD1 3.97Å; V1337-L1341 VanDerWaalsContact O-CG 3.28Å; V1337-L1341 WeakPolarHBondContact O-CG 3.22Å; V1337-L1341 PolarHBondContact O-N 3.04Å; V1337-L1341 VanDerWaalsContact O-N 3.15Å; V1337-I1370 HydrophobicContact CG1-CG2 4.48Å; V1337-I1370 HydrophobicContact CG2-CD1 4.36Å; V1337-I1370 HydrophobicContact CG2-CG2 4.47Å; V1337-L1374 HydrophobicContact CG1-CD2 4.43Å |
| 1338 | S | 97.7 | Very high | 96.8 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.4 | -54.7 | 172 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | R1334 L1340 L1341 D1342 R1377 | R1334-S1338 PolarHBondContact O-N 3.29Å; S1338-L1340 VanDerWaalsContact C-N 3.3Å; S1338-L1340 PolarHBondContact O-N 2.94Å; S1338-L1341 CarbonylContact O-C 3.57Å; S1338-L1341 PolarHBondContact O-N 3.13Å; S1338-D1342 WeakPolarHBondContact O-CB 3.05Å; S1338-D1342 PolarHBondContact O-N 2.92Å; S1338-D1342 PolarHBondContact OG-OD2 3.01Å; S1338-R1377 PolarHBondContact OG-NH2 3.2Å |
| 1339 | L | 97.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.2 | -40.2 | -175.5 | -177.6 | 62.9 | 0 | 0 | 0 | 113 | V1301 V1304 R1305 S1335 V1336 D1342 Y1343 | V1301-L1339 HydrophobicContact CG1-CD2 4.01Å; V1304-L1339 HydrophobicContact CB-CD2 4.08Å; V1304-L1339 HydrophobicContact CG1-CD2 3.75Å; V1304-L1339 HydrophobicContact CG1-CG 4.41Å; R1305-L1339 HydrophobicContact CB-CD2 4.07Å; S1335-L1339 WeakPolarHBondContact O-CB 3.29Å; S1335-L1339 PolarHBondContact O-N 3.49Å; S1335-L1339 VanDerWaalsContact O-N 3.11Å; V1336-L1339 PolarHBondContact O-N 3.38Å; L1339-D1342 PolarHBondContact O-N 3.48Å; L1339-Y1343 HydrophobicContact CD1-CD2 3.83Å; L1339-Y1343 HydrophobicContact CD1-CE2 3.66Å; L1339-Y1343 HydrophobicContact CG-CD2 4.38Å; L1339-Y1343 VanDerWaalsContact O-CD2 3.31Å; L1339-Y1343 WeakPolarHBondContact O-CD2 3.48Å; L1339-Y1343 PolarHBondContact O-N 3.46Å |
| 1340 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.7 | -41.8 | 176.4 | -72.3 | 167.9 | 0 | 0 | 0 | 112.1 | V1304 L1308 K1314 P1324 L1325 A1328 V1336 S1338 Y1343 G1344 A1345 | V1304-L1340 HydrophobicContact CG1-CD2 4.38Å; L1308-L1340 HydrophobicContact CD1-CD2 4.19Å; K1314-L1340 HydrophobicContact CB-CD2 4.46Å; P1324-L1340 HydrophobicContact CB-CD1 4.17Å; P1324-L1340 HydrophobicContact CB-CD2 4.04Å; P1324-L1340 WeakPolarHBondContact O-CD1 3.37Å; L1325-L1340 HydrophobicContact CB-CD1 4.39Å; L1325-L1340 HydrophobicContact CD1-CB 4.41Å; L1325-L1340 HydrophobicContact CD1-CD1 4.5Å; A1328-L1340 HydrophobicContact CB-CD1 3.99Å; V1336-L1340 HydrophobicContact CG1-CD1 3.81Å; V1336-L1340 HydrophobicContact CG1-CG 4.23Å; V1336-L1340 WeakPolarHBondContact O-CB 3.29Å; V1336-L1340 WeakPolarHBondContact O-CG 3.42Å; V1336-L1340 PolarHBondContact O-N 2.93Å; S1338-L1340 VanDerWaalsContact C-N 3.3Å; S1338-L1340 PolarHBondContact O-N 2.94Å; L1340-Y1343 CarbonylContact O-C 3.52Å; L1340-Y1343 PolarHBondContact O-N 2.96Å; L1340-G1344 PolarHBondContact O-N 3Å; L1340-G1344 VanDerWaalsContact O-N 3.14Å; L1340-A1345 HydrophobicContact CB-CB 4.11Å; L1340-A1345 VanDerWaalsContact O-CB 3.27Å; L1340-A1345 WeakPolarHBondContact O-CB 3.46Å; L1340-A1345 PolarHBondContact O-N 3.28Å |
| 1341 | L | 97.3 | Very high | 96.7 | Very high | 20 Ų | 20 | 39 Ų | 39 | 11% | 0.105 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.2 | -33.9 | 175.6 | -65.4 | 171.1 | 0 | 0 | 0 | 111.9 | L1325 V1337 S1338 Y1343 G1344 I1347 L1374 R1377 | L1325-L1341 HydrophobicContact CD1-CD2 4.28Å; L1325-L1341 HydrophobicContact CD1-CG 4.19Å; L1325-L1341 HydrophobicContact CD2-CD2 3.96Å; V1337-L1341 HydrophobicContact CG1-CD1 3.97Å; V1337-L1341 VanDerWaalsContact O-CG 3.28Å; V1337-L1341 WeakPolarHBondContact O-CG 3.22Å; V1337-L1341 PolarHBondContact O-N 3.04Å; V1337-L1341 VanDerWaalsContact O-N 3.15Å; S1338-L1341 CarbonylContact O-C 3.57Å; S1338-L1341 PolarHBondContact O-N 3.13Å; L1341-Y1343 VanDerWaalsContact C-N 3.3Å; L1341-G1344 WeakPolarHBondContact O-CA 3.48Å; L1341-G1344 PolarHBondContact O-N 3.02Å; L1341-I1347 HydrophobicContact CD1-CD1 4.41Å; L1341-I1347 HydrophobicContact CD2-CB 3.9Å; L1341-I1347 HydrophobicContact CD2-CD1 4.21Å; L1341-I1347 HydrophobicContact CD2-CG1 4.03Å; L1341-L1374 HydrophobicContact CD1-CD2 4.03Å; L1341-R1377 HydrophobicContact CD1-CG 4.05Å |
| 1342 | D | 96.5 | Very high | 96.6 | Very high | 95 Ų | 95 | 42.1 Ų | 42.1 | 51% | 0.508 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.9 | -32 | 173.7 | -60.5 | -34.4 | 0 | 0 | 0 | 111.5 | S1338 L1339 G1344 R1377 | S1338-D1342 WeakPolarHBondContact O-CB 3.05Å; S1338-D1342 PolarHBondContact O-N 2.92Å; S1338-D1342 PolarHBondContact OG-OD2 3.01Å; L1339-D1342 PolarHBondContact O-N 3.48Å; D1342-G1344 VanDerWaalsContact C-N 3.26Å; D1342-R1377 IonicContact OD1-CZ 2.75Å; D1342-R1377 VanDerWaalsContact OD1-CZ 3.3Å; D1342-R1377 IonicContact OD1-NH1 2.74Å; D1342-R1377 PolarHBondContact OD1-NH1 2.9Å; D1342-R1377 IonicContact OD1-NH2 2.82Å; D1342-R1377 PolarHBondContact OD1-NH2 3.35Å; D1342-R1377 IonicContact OD2-NH2 3.41Å |
| 1343 | Y | 97 | Very high | 96.4 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 6.4 | 168.8 | -85.6 | -108.2 | 0 | 0 | 0 | 113.5 | L1308 E1309 K1314 L1339 L1340 L1341 | L1308-Y1343 HydrophobicContact CB-CD1 3.68Å; L1308-Y1343 HydrophobicContact CB-CE1 3.64Å; L1308-Y1343 HydrophobicContact CB-CG 4.36Å; L1308-Y1343 HydrophobicContact CD1-CD1 4.04Å; L1308-Y1343 HydrophobicContact CD1-CD2 4.16Å; L1308-Y1343 HydrophobicContact CD1-CE1 4.49Å; L1308-Y1343 HydrophobicContact CD1-CG 3.85Å; L1308-Y1343 HydrophobicContact CG-CD1 4.32Å; E1309-Y1343 WeakPolarHBondContact CG-OH 3.41Å; K1314-Y1343 WeakPolarHBondContact CD-O 3.41Å; K1314-Y1343 WeakPolarHBondContact CE-O 3.34Å; L1339-Y1343 HydrophobicContact CD1-CD2 3.83Å; L1339-Y1343 HydrophobicContact CD1-CE2 3.66Å; L1339-Y1343 HydrophobicContact CG-CD2 4.38Å; L1339-Y1343 VanDerWaalsContact O-CD2 3.31Å; L1339-Y1343 WeakPolarHBondContact O-CD2 3.48Å; L1339-Y1343 PolarHBondContact O-N 3.46Å; L1340-Y1343 CarbonylContact O-C 3.52Å; L1340-Y1343 PolarHBondContact O-N 2.96Å; L1341-Y1343 VanDerWaalsContact C-N 3.3Å |
| 1344 | G | 96.1 | Very high | 96.2 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 53% | 0.526 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 35.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K1314 L1340 L1341 D1342 | K1314-G1344 WeakPolarHBondContact CE-O 3.3Å; L1340-G1344 PolarHBondContact O-N 3Å; L1340-G1344 VanDerWaalsContact O-N 3.14Å; L1341-G1344 WeakPolarHBondContact O-CA 3.48Å; L1341-G1344 PolarHBondContact O-N 3.02Å; D1342-G1344 VanDerWaalsContact C-N 3.26Å |
| 1345 | A | 97.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | trans | -65.3 | 146 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1314 E1315 L1340 I1347 | K1314-A1345 HydrophobicContact CD-CB 4.16Å; K1314-A1345 HydrophobicContact CG-CB 4.47Å; E1315-A1345 WeakPolarHBondContact OE1-CA 3.46Å; L1340-A1345 HydrophobicContact CB-CB 4.11Å; L1340-A1345 VanDerWaalsContact O-CB 3.27Å; L1340-A1345 WeakPolarHBondContact O-CB 3.46Å; L1340-A1345 PolarHBondContact O-N 3.28Å; A1345-I1347 PolarHBondContact O-N 3.32Å | ||
| 1346 | D | 97.5 | Very high | 96.1 | Very high | 81 Ų | 81 | 43.4 Ų | 43.4 | 43% | 0.433 | 23% | 0.226 | S | C | . | . | trans | -72.1 | 110.3 | -178.5 | -178.3 | 12.2 | 0 | 0 | 0 | 112 | E1315 L1325 E1348 A1349 | E1315-D1346 PolarHBondContact OE1-N 3.49Å; L1325-D1346 WeakPolarHBondContact CD2-O 3.38Å; D1346-E1348 VanDerWaalsContact C-N 3.27Å; D1346-E1348 PolarHBondContact O-N 3.43Å; D1346-E1348 PolarHBondContact OD1-N 3.14Å; D1346-A1349 HydrophobicContact CB-CB 4.17Å; D1346-A1349 VanDerWaalsContact O-CB 3.22Å; D1346-A1349 WeakPolarHBondContact O-CB 3.4Å; D1346-A1349 PolarHBondContact O-N 2.92Å; D1346-A1349 PolarHBondContact OD2-N 2.94Å | ||
| 1347 | I | 97.2 | Very high | 96.1 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -24.2 | 179.6 | -161.5 | 170.1 | 0 | 0 | 0 | 113.4 | L1341 A1345 L1374 R1377 A1379 | L1341-I1347 HydrophobicContact CD1-CD1 4.41Å; L1341-I1347 HydrophobicContact CD2-CB 3.9Å; L1341-I1347 HydrophobicContact CD2-CD1 4.21Å; L1341-I1347 HydrophobicContact CD2-CG1 4.03Å; A1345-I1347 PolarHBondContact O-N 3.32Å; I1347-L1374 HydrophobicContact CD1-CD2 3.84Å; I1347-L1374 HydrophobicContact CG1-CD2 3.72Å; I1347-R1377 HydrophobicContact CD1-CB 3.53Å; I1347-A1379 HydrophobicContact CD1-CB 3.86Å; I1347-A1379 HydrophobicContact CG1-CB 4.04Å |
| 1348 | E | 97 | Very high | 96.1 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 11.6 | 177.2 | -65.7 | -61.3 | 130.6 | 0 | 0 | 112.5 | D1346 Q1350 A1379 N1380 | D1346-E1348 VanDerWaalsContact C-N 3.27Å; D1346-E1348 PolarHBondContact O-N 3.43Å; D1346-E1348 PolarHBondContact OD1-N 3.14Å; E1348-Q1350 PolarHBondContact O-N 3.04Å; E1348-A1379 WeakPolarHBondContact OE1-CA 3.39Å; E1348-N1380 WeakPolarHBondContact OE1-CB 3.31Å; E1348-N1380 PolarHBondContact OE1-N 3.32Å; E1348-N1380 VanDerWaalsContact OE2-CB 3.22Å; E1348-N1380 WeakPolarHBondContact OE2-CB 3.5Å |
| 1349 | A | 96.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.033 | 22% | 0.216 | C | C | . | . | trans | -53.5 | 132.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T1323 H1326 D1346 T1357 | T1323-A1349 HydrophobicContact CG2-CB 4.37Å; H1326-A1349 PolarHBondContact CE1-O 3.06Å; H1326-A1349 PolarHBondContact NE2-O 3.33Å; D1346-A1349 HydrophobicContact CB-CB 4.17Å; D1346-A1349 VanDerWaalsContact O-CB 3.22Å; D1346-A1349 WeakPolarHBondContact O-CB 3.4Å; D1346-A1349 PolarHBondContact O-N 2.92Å; D1346-A1349 PolarHBondContact OD2-N 2.94Å; A1349-T1357 WeakPolarHBondContact O-CA 3.47Å | ||
| 1350 | Q | 96.2 | Very high | 96 | Very high | 71 Ų | 71 | 41.7 Ų | 41.7 | 33% | 0.332 | 22% | 0.215 | S | C | . | . | trans | -107.6 | 139 | -178.7 | -69.2 | 173.5 | 10.4 | 0 | 0 | 112.1 | R1317 E1348 K1355 D1356 T1357 H1383 | R1317-Q1350 PolarHBondContact NH1-O 3.33Å; R1317-Q1350 PolarHBondContact NH2-O 3.01Å; E1348-Q1350 PolarHBondContact O-N 3.04Å; Q1350-K1355 HydrophobicContact CB-CD 4.28Å; Q1350-D1356 CarbonylContact C-O 3.58Å; Q1350-D1356 VanDerWaalsContact CA-O 3.29Å; Q1350-D1356 WeakPolarHBondContact CA-O 3.16Å; Q1350-T1357 HydrophobicContact CG-CG2 3.75Å; Q1350-H1383 PolarHBondContact NE2-CE1 3.03Å; Q1350-H1383 VanDerWaalsContact NE2-CE1 3.33Å | ||
| 1351 | V | 95.6 | Very high | 96 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | trans | -72.2 | 128.1 | 168 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | K1320 R1353 K1355 D1356 I1361 | K1320-V1351 WeakPolarHBondContact O-CG1 3.36Å; V1351-R1353 PolarHBondContact O-N 2.92Å; V1351-K1355 WeakPolarHBondContact O-CA 3.49Å; V1351-K1355 PolarHBondContact O-N 3.36Å; V1351-D1356 PolarHBondContact N-O 2.93Å; V1351-I1361 HydrophobicContact CG2-CD1 4.03Å | ||
| 1352 | D | 92 | Very high | 96 | Very high | 87 Ų | 87 | 41.2 Ų | 41.2 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -37.8 | -166.8 | -84.1 | -52.4 | 0 | 0 | 0 | 116.3 | R1317 S1321 K1355 | R1317-D1352 IonicContact NH1-OD2 3.31Å; S1321-D1352 PolarHBondContact OG-OD2 3.5Å; D1352-K1355 WeakPolarHBondContact O-CE 3.44Å; D1352-K1355 IonicContact OD1-NZ 3.16Å; D1352-K1355 PolarHBondContact OD1-NZ 3.04Å |
| 1353 | R | 90 | Very high | 96 | Very high | 147 Ų | 147 | 36.7 Ų | 36.7 | 56% | 0.555 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -40.3 | -174.9 | -67.1 | -176.8 | 178.4 | -174.6 | 1.3 | 112.9 | M1022 V1351 | M1022-R1353 PolarHBondContact SD-NH1 3.11Å; M1022-R1353 VanDerWaalsContact SD-NH1 3.43Å; V1351-R1353 PolarHBondContact O-N 2.92Å |
| 1354 | T | 91.9 | Very high | 95.9 | Very high | 53 Ų | 53 | 33.4 Ų | 33.4 | 33% | 0.325 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -14.9 | -174.5 | 66.8 | 0 | 0 | 0 | 0 | 113.1 | D1356 N1385 I1386 | T1354-D1356 WeakPolarHBondContact CB-OD2 3.31Å; T1354-D1356 PolarHBondContact O-N 3.49Å; T1354-D1356 WeakPolarHBondContact OG1-CB 3.23Å; T1354-D1356 PolarHBondContact OG1-N 3.25Å; T1354-D1356 PolarHBondContact OG1-OD2 3.22Å; T1354-N1385 WeakPolarHBondContact O-CB 3.44Å; T1354-I1386 VanDerWaalsContact O-CB 3.28Å; T1354-I1386 WeakPolarHBondContact O-CB 3.3Å; T1354-I1386 WeakPolarHBondContact O-CG2 3.43Å; T1354-I1386 PolarHBondContact O-N 2.89Å |
| 1355 | K | 94.8 | Very high | 95.7 | Very high | 65 Ų | 65 | 34 Ų | 34 | 28% | 0.283 | 17% | 0.166 | S | C | . | . | trans | 52.4 | 28.2 | -170.9 | -58.4 | -59.3 | -179.6 | -175.1 | 0 | 113.5 | Q1350 V1351 D1352 H1383 I1386 | Q1350-K1355 HydrophobicContact CB-CD 4.28Å; V1351-K1355 WeakPolarHBondContact O-CA 3.49Å; V1351-K1355 PolarHBondContact O-N 3.36Å; D1352-K1355 WeakPolarHBondContact O-CE 3.44Å; D1352-K1355 IonicContact OD1-NZ 3.16Å; D1352-K1355 PolarHBondContact OD1-NZ 3.04Å; K1355-H1383 PolarHBondContact O-NE2 2.95Å; K1355-I1386 HydrophobicContact CG-CD1 4.39Å | ||
| 1356 | D | 95.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 34.7 Ų | 34.7 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | trans | -73.1 | 149.5 | 167.2 | -73.6 | -60 | 0 | 0 | 0 | 111.3 | Q1350 V1351 T1354 S1360 I1361 N1385 | Q1350-D1356 CarbonylContact C-O 3.58Å; Q1350-D1356 VanDerWaalsContact CA-O 3.29Å; Q1350-D1356 WeakPolarHBondContact CA-O 3.16Å; V1351-D1356 PolarHBondContact N-O 2.93Å; T1354-D1356 WeakPolarHBondContact CB-OD2 3.31Å; T1354-D1356 PolarHBondContact O-N 3.49Å; T1354-D1356 WeakPolarHBondContact OG1-CB 3.23Å; T1354-D1356 PolarHBondContact OG1-N 3.25Å; T1354-D1356 PolarHBondContact OG1-OD2 3.22Å; D1356-S1360 WeakPolarHBondContact CA-OG 3.18Å; D1356-S1360 WeakPolarHBondContact CB-OG 3.47Å; D1356-S1360 VanDerWaalsContact CG-OG 3.31Å; D1356-S1360 WeakPolarHBondContact OD1-CB 3.43Å; D1356-S1360 PolarHBondContact OD1-OG 3.05Å; D1356-I1361 HydrophobicContact CB-CD1 4.45Å; D1356-I1361 HydrophobicContact CB-CG1 3.87Å; D1356-N1385 VanDerWaalsContact OD1-CB 3.25Å; D1356-N1385 WeakPolarHBondContact OD1-CB 3.12Å; D1356-N1385 PolarHBondContact OD1-ND2 3.32Å | ||
| 1357 | T | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -109.3 | 171.1 | 169.3 | 58 | 0 | 0 | 0 | 0 | 110 | A1349 Q1350 L1359 S1360 I1361 | A1349-T1357 WeakPolarHBondContact O-CA 3.47Å; Q1350-T1357 HydrophobicContact CG-CG2 3.75Å; T1357-L1359 PolarHBondContact O-N 2.92Å; T1357-L1359 VanDerWaalsContact O-N 3.08Å; T1357-S1360 PolarHBondContact N-OG 3.24Å; T1357-S1360 PolarHBondContact O-N 2.83Å; T1357-S1360 PolarHBondContact O-OG 2.96Å; T1357-I1361 WeakPolarHBondContact O-CG1 3.44Å; T1357-I1361 PolarHBondContact O-N 2.94Å | ||
| 1358 | A | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -44.8 | -42.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L1325 H1326 V1329 A1362 L1374 | L1325-A1358 HydrophobicContact CD2-CB 4.04Å; L1325-A1358 HydrophobicContact CG-CB 4.17Å; H1326-A1358 PolarHBondContact NE2-N 3.19Å; V1329-A1358 HydrophobicContact CG2-CB 4.16Å; A1358-A1362 WeakPolarHBondContact O-CB 3.33Å; A1358-A1362 PolarHBondContact O-N 3.49Å; A1358-L1374 HydrophobicContact CB-CD1 3.94Å; A1358-L1374 HydrophobicContact CB-CD2 3.98Å |
| 1359 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.6 | -41.1 | 178.9 | -178.7 | 64.5 | 0 | 0 | 0 | 113.1 | T1357 A1362 C1363 V1371 L1374 L1375 A1379 K1381 P1391 | T1357-L1359 PolarHBondContact O-N 2.92Å; T1357-L1359 VanDerWaalsContact O-N 3.08Å; L1359-A1362 PolarHBondContact O-N 3.11Å; L1359-C1363 WeakPolarHBondContact O-CB 3.3Å; L1359-C1363 PolarHBondContact O-N 3.28Å; L1359-C1363 PolarHBondContact O-SG 2.95Å; L1359-V1371 HydrophobicContact CD1-CG1 3.95Å; L1359-L1374 HydrophobicContact CB-CD1 4.43Å; L1359-L1374 HydrophobicContact CD1-CB 4.22Å; L1359-L1375 HydrophobicContact CD1-CD2 4.12Å; L1359-L1375 HydrophobicContact CD1-CG 4.04Å; L1359-L1375 HydrophobicContact CD2-CD2 3.86Å; L1359-A1379 HydrophobicContact CB-CB 4.03Å; L1359-A1379 HydrophobicContact CD2-CB 3.92Å; L1359-A1379 HydrophobicContact CG-CB 4.44Å; L1359-K1381 HydrophobicContact CD2-CB 4.3Å; L1359-P1391 HydrophobicContact CD2-CB 4.46Å; L1359-P1391 HydrophobicContact CD2-CG 4.1Å; L1359-P1391 HydrophobicContact CG-CB 4.36Å; L1359-P1391 HydrophobicContact CG-CG 4.2Å |
| 1360 | S | 96.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.2 | -33.4 | -179.4 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | D1356 T1357 C1363 S1364 L1394 | D1356-S1360 WeakPolarHBondContact CA-OG 3.18Å; D1356-S1360 WeakPolarHBondContact CB-OG 3.47Å; D1356-S1360 VanDerWaalsContact CG-OG 3.31Å; D1356-S1360 WeakPolarHBondContact OD1-CB 3.43Å; D1356-S1360 PolarHBondContact OD1-OG 3.05Å; T1357-S1360 PolarHBondContact N-OG 3.24Å; T1357-S1360 PolarHBondContact O-N 2.83Å; T1357-S1360 PolarHBondContact O-OG 2.96Å; S1360-C1363 PolarHBondContact O-N 3.44Å; S1360-S1364 WeakPolarHBondContact O-CB 3.28Å; S1360-S1364 PolarHBondContact O-N 2.09Å; S1360-S1364 PolarHBondContact O-OG 2.77Å; S1360-L1394 WeakPolarHBondContact O-CD1 3.48Å |
| 1361 | I | 96.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.051 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -46.2 | 170.3 | -58.8 | 176.7 | 0 | 0 | 0 | 110.9 | H1326 V1329 V1351 D1356 T1357 C1363 S1364 H1365 | H1326-I1361 HydrophobicContact CB-CD1 4.21Å; V1329-I1361 HydrophobicContact CG1-CB 4.1Å; V1329-I1361 HydrophobicContact CG1-CG2 3.89Å; V1351-I1361 HydrophobicContact CG2-CD1 4.03Å; D1356-I1361 HydrophobicContact CB-CD1 4.45Å; D1356-I1361 HydrophobicContact CB-CG1 3.87Å; T1357-I1361 WeakPolarHBondContact O-CG1 3.44Å; T1357-I1361 PolarHBondContact O-N 2.94Å; I1361-C1363 VanDerWaalsContact C-N 3.31Å; I1361-C1363 PolarHBondContact O-N 3.4Å; I1361-S1364 PolarHBondContact O-N 3.37Å; I1361-S1364 PolarHBondContact O-OG 3.15Å; I1361-S1364 VanDerWaalsContact O-OG 3.07Å; I1361-H1365 PolarHBondContact O-N 2.97Å; I1361-H1365 PolarHBondContact O-ND1 3.41Å |
| 1362 | A | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1329 A1358 L1359 G1366 K1367 I1370 V1371 L1374 | V1329-A1362 HydrophobicContact CG1-CB 3.85Å; A1358-A1362 WeakPolarHBondContact O-CB 3.33Å; A1358-A1362 PolarHBondContact O-N 3.49Å; L1359-A1362 PolarHBondContact O-N 3.11Å; A1362-G1366 PolarHBondContact O-N 2.92Å; A1362-G1366 VanDerWaalsContact O-N 3.11Å; A1362-K1367 HydrophobicContact CB-CB 4.39Å; A1362-K1367 PolarHBondContact O-N 3.25Å; A1362-I1370 HydrophobicContact CB-CG2 3.92Å; A1362-V1371 HydrophobicContact CB-CG2 3.62Å; A1362-L1374 HydrophobicContact CB-CD1 4.12Å |
| 1363 | C | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.2 | -31 | 176.8 | -70.7 | 0 | 0 | 0 | 0 | 114.1 | L1359 S1360 I1361 H1365 V1371 P1391 Y1400 V1403 | L1359-C1363 WeakPolarHBondContact O-CB 3.3Å; L1359-C1363 PolarHBondContact O-N 3.28Å; L1359-C1363 PolarHBondContact O-SG 2.95Å; S1360-C1363 PolarHBondContact O-N 3.44Å; I1361-C1363 VanDerWaalsContact C-N 3.31Å; I1361-C1363 PolarHBondContact O-N 3.4Å; C1363-H1365 VanDerWaalsContact C-N 3.31Å; C1363-V1371 VanDerWaalsContact SG-CG2 3.55Å; C1363-P1391 HydrophobicContact CB-CB 4.25Å; C1363-Y1400 VanDerWaalsContact O-CD2 3.3Å; C1363-Y1400 WeakPolarHBondContact O-CD2 3.44Å; C1363-V1403 HydrophobicContact CB-CG1 4.28Å |
| 1364 | S | 95 | Very high | 96.3 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -76.6 | -16.9 | 176.4 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | S1360 I1361 Y1400 | S1360-S1364 WeakPolarHBondContact O-CB 3.28Å; S1360-S1364 PolarHBondContact O-N 2.09Å; S1360-S1364 PolarHBondContact O-OG 2.77Å; I1361-S1364 PolarHBondContact O-N 3.37Å; I1361-S1364 PolarHBondContact O-OG 3.15Å; I1361-S1364 VanDerWaalsContact O-OG 3.07Å; S1364-Y1400 WeakPolarHBondContact O-CE2 3.43Å; S1364-Y1400 PolarHBondContact O-OH 2.84Å |
| 1365 | H | 92.7 | Very high | 96.6 | Very high | 63 Ų | 63 | 24.7 Ų | 24.7 | 29% | 0.292 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 7.1 | 176.4 | -61.7 | 80.1 | 0 | 0 | 0 | 113.7 | I1361 C1363 K1367 | I1361-H1365 PolarHBondContact O-N 2.97Å; I1361-H1365 PolarHBondContact O-ND1 3.41Å; C1363-H1365 VanDerWaalsContact C-N 3.31Å; H1365-K1367 HydrophobicContact CB-CD 4.29Å; H1365-K1367 HydrophobicContact CB-CG 4.05Å; H1365-K1367 WeakPolarHBondContact O-CD 3.39Å; H1365-K1367 PolarHBondContact O-N 3.42Å |
| 1366 | G | 94.9 | Very high | 96.7 | Very high | 23 Ų | 23 | 26.5 Ų | 26.5 | 24% | 0.237 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 22.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A1362 L1368 | A1362-G1366 PolarHBondContact O-N 2.92Å; A1362-G1366 VanDerWaalsContact O-N 3.11Å; G1366-L1368 VanDerWaalsContact C-N 3.33Å; G1366-L1368 PolarHBondContact O-N 3.29Å |
| 1367 | K | 95.3 | Very high | 96.7 | Very high | 49 Ų | 49 | 30 Ų | 30 | 21% | 0.213 | 15% | 0.148 | C | C | . | . | trans | -79.5 | 70.9 | -170.5 | -54.2 | -48.3 | -165.1 | 179.2 | 0 | 112.9 | N1332 A1362 H1365 E1369 I1370 V1371 | N1332-K1367 HydrophobicContact CB-CD 4.35Å; N1332-K1367 WeakPolarHBondContact OD1-CD 3.43Å; A1362-K1367 HydrophobicContact CB-CB 4.39Å; A1362-K1367 PolarHBondContact O-N 3.25Å; H1365-K1367 HydrophobicContact CB-CD 4.29Å; H1365-K1367 HydrophobicContact CB-CG 4.05Å; H1365-K1367 WeakPolarHBondContact O-CD 3.39Å; H1365-K1367 PolarHBondContact O-N 3.42Å; K1367-E1369 PolarHBondContact O-N 3.41Å; K1367-I1370 HydrophobicContact CB-CB 4.13Å; K1367-I1370 HydrophobicContact CB-CD1 4.43Å; K1367-I1370 PolarHBondContact O-N 3.25Å; K1367-V1371 WeakPolarHBondContact O-CG2 3.38Å; K1367-V1371 PolarHBondContact O-N 3.47Å | ||
| 1368 | L | 96.5 | Very high | 96.6 | Very high | 57 Ų | 57 | 32.8 Ų | 32.8 | 30% | 0.298 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -44.3 | -54.4 | -170.7 | -177.8 | 67.3 | 0 | 0 | 0 | 114.6 | G1366 I1370 V1371 E1372 E1402 V1403 L1406 | G1366-L1368 VanDerWaalsContact C-N 3.33Å; G1366-L1368 PolarHBondContact O-N 3.29Å; L1368-I1370 VanDerWaalsContact C-N 3.28Å; L1368-I1370 PolarHBondContact O-N 3.3Å; L1368-V1371 WeakPolarHBondContact O-CB 3.49Å; L1368-V1371 PolarHBondContact O-N 3.08Å; L1368-E1372 PolarHBondContact O-N 2.83Å; L1368-E1402 HydrophobicContact CD1-CB 3.99Å; L1368-E1402 HydrophobicContact CD2-CB 4.11Å; L1368-E1402 WeakPolarHBondContact CD2-OE2 3.39Å; L1368-V1403 HydrophobicContact CB-CG2 4.31Å; L1368-V1403 HydrophobicContact CD1-CG2 4.07Å; L1368-L1406 HydrophobicContact CD1-CB 4.39Å; L1368-L1406 HydrophobicContact CD1-CD2 3.84Å |
| 1369 | E | 96.3 | Very high | 96.6 | Very high | 92 Ų | 92 | 33 Ų | 33 | 43% | 0.43 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.1 | -31.8 | -177 | -68.3 | -170.3 | -136.3 | 0 | 0 | 113.6 | R1334 K1367 E1373 | R1334-E1369 WeakPolarHBondContact CD-OE2 3.26Å; R1334-E1369 IonicContact CZ-OE2 3.99Å; R1334-E1369 IonicContact NE-OE2 3.89Å; R1334-E1369 IonicContact NH1-OE2 3.1Å; R1334-E1369 PolarHBondContact NH1-OE2 2.91Å; K1367-E1369 PolarHBondContact O-N 3.41Å; E1369-E1373 PolarHBondContact O-N 3Å |
| 1370 | I | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -78.4 | -36.2 | 176.7 | -67.5 | 177.7 | 0 | 0 | 0 | 110.2 | V1329 R1334 V1337 A1362 K1367 L1368 E1372 E1373 L1374 | V1329-I1370 HydrophobicContact CG1-CG2 4.25Å; V1329-I1370 HydrophobicContact CG2-CG2 3.94Å; R1334-I1370 HydrophobicContact CB-CG1 4.19Å; V1337-I1370 HydrophobicContact CG1-CG2 4.48Å; V1337-I1370 HydrophobicContact CG2-CD1 4.36Å; V1337-I1370 HydrophobicContact CG2-CG2 4.47Å; A1362-I1370 HydrophobicContact CB-CG2 3.92Å; K1367-I1370 HydrophobicContact CB-CB 4.13Å; K1367-I1370 HydrophobicContact CB-CD1 4.43Å; K1367-I1370 PolarHBondContact O-N 3.25Å; L1368-I1370 VanDerWaalsContact C-N 3.28Å; L1368-I1370 PolarHBondContact O-N 3.3Å; I1370-E1372 VanDerWaalsContact C-N 3.33Å; I1370-E1373 PolarHBondContact O-N 3.29Å; I1370-L1374 HydrophobicContact CG2-CD1 3.76Å; I1370-L1374 HydrophobicContact CG2-CG 4.3Å; I1370-L1374 WeakPolarHBondContact O-CB 3.23Å; I1370-L1374 WeakPolarHBondContact O-CD1 3.17Å; I1370-L1374 WeakPolarHBondContact O-CG 3.36Å; I1370-L1374 PolarHBondContact O-N 3.21Å |
| 1371 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 170.2 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | L1359 A1362 C1363 K1367 L1368 L1374 L1375 V1403 L1406 | L1359-V1371 HydrophobicContact CD1-CG1 3.95Å; A1362-V1371 HydrophobicContact CB-CG2 3.62Å; C1363-V1371 VanDerWaalsContact SG-CG2 3.55Å; K1367-V1371 WeakPolarHBondContact O-CG2 3.38Å; K1367-V1371 PolarHBondContact O-N 3.47Å; L1368-V1371 WeakPolarHBondContact O-CB 3.49Å; L1368-V1371 PolarHBondContact O-N 3.08Å; V1371-L1374 PolarHBondContact O-N 3.34Å; V1371-L1375 HydrophobicContact CG1-CD1 3.63Å; V1371-L1375 HydrophobicContact CG1-CG 4.17Å; V1371-L1375 VanDerWaalsContact O-CB 3.29Å; V1371-L1375 WeakPolarHBondContact O-CB 3.45Å; V1371-L1375 WeakPolarHBondContact O-CG 3.38Å; V1371-L1375 PolarHBondContact O-N 3.24Å; V1371-V1403 HydrophobicContact CG1-CG1 4.28Å; V1371-V1403 HydrophobicContact CG2-CG1 4.19Å; V1371-L1406 HydrophobicContact CB-CD2 4.34Å; V1371-L1406 HydrophobicContact CG1-CD2 3.91Å |
| 1372 | E | 97.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 37% | 0.369 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62 | -48.7 | 175.9 | -175.7 | 176.3 | -124.7 | 0 | 0 | 111.9 | R1334 L1368 I1370 L1374 L1375 N1376 L1406 | R1334-E1372 IonicContact NH2-OE2 2.68Å; L1368-E1372 PolarHBondContact O-N 2.83Å; I1370-E1372 VanDerWaalsContact C-N 3.33Å; E1372-L1374 PolarHBondContact O-N 2.88Å; E1372-L1375 PolarHBondContact O-N 2.91Å; E1372-N1376 WeakPolarHBondContact CG-ND2 3.33Å; E1372-N1376 VanDerWaalsContact O-CB 3.32Å; E1372-N1376 WeakPolarHBondContact O-CB 3.31Å; E1372-N1376 VanDerWaalsContact O-CG 3.23Å; E1372-N1376 PolarHBondContact O-N 3.38Å; E1372-N1376 PolarHBondContact O-ND2 3.35Å; E1372-N1376 VanDerWaalsContact O-ND2 3.16Å; E1372-L1406 HydrophobicContact CB-CD2 3.84Å |
| 1373 | E | 97.1 | Very high | 96.3 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.3 | -51.9 | 175.9 | -169.2 | 64.8 | -147.5 | 0 | 0 | 111.1 | R1334 E1369 I1370 L1375 N1376 R1377 | R1334-E1373 IonicContact NE-OE2 2.69Å; R1334-E1373 IonicContact NH2-OE2 2.7Å; R1334-E1373 PolarHBondContact NH2-OE2 2.94Å; E1369-E1373 PolarHBondContact O-N 3Å; I1370-E1373 PolarHBondContact O-N 3.29Å; E1373-L1375 PolarHBondContact O-N 3.04Å; E1373-N1376 PolarHBondContact O-N 3.11Å; E1373-R1377 HydrophobicContact CG-CG 4.42Å; E1373-R1377 WeakPolarHBondContact O-CB 3.42Å; E1373-R1377 WeakPolarHBondContact O-CG 3.47Å; E1373-R1377 PolarHBondContact O-N 3.43Å; E1373-R1377 IonicContact OE1-CZ 3.55Å; E1373-R1377 VanDerWaalsContact OE1-CZ 3.3Å; E1373-R1377 IonicContact OE1-NE 3.54Å; E1373-R1377 PolarHBondContact OE1-NE 3.07Å; E1373-R1377 IonicContact OE1-NH2 3.21Å; E1373-R1377 PolarHBondContact OE1-NH2 3.36Å |
| 1374 | L | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | -178.5 | -69.4 | 168.7 | 0 | 0 | 0 | 112.6 | V1329 V1337 L1341 I1347 A1358 L1359 A1362 I1370 V1371 E1372 R1377 G1378 A1379 | V1329-L1374 HydrophobicContact CG2-CD1 4.46Å; V1337-L1374 HydrophobicContact CG1-CD2 4.43Å; L1341-L1374 HydrophobicContact CD1-CD2 4.03Å; I1347-L1374 HydrophobicContact CD1-CD2 3.84Å; I1347-L1374 HydrophobicContact CG1-CD2 3.72Å; A1358-L1374 HydrophobicContact CB-CD1 3.94Å; A1358-L1374 HydrophobicContact CB-CD2 3.98Å; L1359-L1374 HydrophobicContact CB-CD1 4.43Å; L1359-L1374 HydrophobicContact CD1-CB 4.22Å; A1362-L1374 HydrophobicContact CB-CD1 4.12Å; I1370-L1374 HydrophobicContact CG2-CD1 3.76Å; I1370-L1374 HydrophobicContact CG2-CG 4.3Å; I1370-L1374 WeakPolarHBondContact O-CB 3.23Å; I1370-L1374 WeakPolarHBondContact O-CD1 3.17Å; I1370-L1374 WeakPolarHBondContact O-CG 3.36Å; I1370-L1374 PolarHBondContact O-N 3.21Å; V1371-L1374 PolarHBondContact O-N 3.34Å; E1372-L1374 PolarHBondContact O-N 2.88Å; L1374-R1377 CarbonylContact O-C 3.56Å; L1374-R1377 PolarHBondContact O-N 3.19Å; L1374-G1378 PolarHBondContact O-N 2.99Å; L1374-G1378 VanDerWaalsContact O-N 3.14Å; L1374-A1379 HydrophobicContact CB-CB 4.03Å; L1374-A1379 WeakPolarHBondContact O-CB 3.36Å; L1374-A1379 PolarHBondContact O-N 2.9Å |
| 1375 | L | 97.7 | Very high | 95.9 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.1 | -37.1 | 176.5 | -72.5 | 173.2 | 0 | 0 | 0 | 112.5 | L1359 V1371 E1372 E1373 R1377 G1378 K1381 L1406 L1407 H1410 | L1359-L1375 HydrophobicContact CD1-CD2 4.12Å; L1359-L1375 HydrophobicContact CD1-CG 4.04Å; L1359-L1375 HydrophobicContact CD2-CD2 3.86Å; V1371-L1375 HydrophobicContact CG1-CD1 3.63Å; V1371-L1375 HydrophobicContact CG1-CG 4.17Å; V1371-L1375 VanDerWaalsContact O-CB 3.29Å; V1371-L1375 WeakPolarHBondContact O-CB 3.45Å; V1371-L1375 WeakPolarHBondContact O-CG 3.38Å; V1371-L1375 PolarHBondContact O-N 3.24Å; E1372-L1375 PolarHBondContact O-N 2.91Å; E1373-L1375 PolarHBondContact O-N 3.04Å; L1375-R1377 VanDerWaalsContact C-N 3.31Å; L1375-G1378 PolarHBondContact O-N 3.32Å; L1375-K1381 HydrophobicContact CD2-CB 3.96Å; L1375-L1406 HydrophobicContact CD1-CD2 4.25Å; L1375-L1406 HydrophobicContact CD1-CG 3.98Å; L1375-L1407 HydrophobicContact CD1-CD2 4.01Å; L1375-L1407 HydrophobicContact CD2-CD2 4.19Å; L1375-H1410 HydrophobicContact CD1-CB 4.32Å |
| 1376 | N | 96.5 | Very high | 95.8 | Very high | 103 Ų | 103 | 50 Ų | 50 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -69.3 | -29.9 | 174.2 | -73.3 | -28.4 | 0 | 0 | 0 | 112.3 | E1372 E1373 G1378 | E1372-N1376 WeakPolarHBondContact CG-ND2 3.33Å; E1372-N1376 VanDerWaalsContact O-CB 3.32Å; E1372-N1376 WeakPolarHBondContact O-CB 3.31Å; E1372-N1376 VanDerWaalsContact O-CG 3.23Å; E1372-N1376 PolarHBondContact O-N 3.38Å; E1372-N1376 PolarHBondContact O-ND2 3.35Å; E1372-N1376 VanDerWaalsContact O-ND2 3.16Å; E1373-N1376 PolarHBondContact O-N 3.11Å; N1376-G1378 VanDerWaalsContact C-N 3.26Å; N1376-G1378 PolarHBondContact O-N 2.98Å |
| 1377 | R | 96.5 | Very high | 95.5 | Very high | 94 Ų | 94 | 51.8 Ų | 51.8 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -4 | 172.2 | -60.9 | -83.1 | -176.2 | 145.4 | 4 | 113.4 | S1338 L1341 D1342 I1347 E1373 L1374 L1375 | S1338-R1377 PolarHBondContact OG-NH2 3.2Å; L1341-R1377 HydrophobicContact CD1-CG 4.05Å; D1342-R1377 IonicContact OD1-CZ 2.75Å; D1342-R1377 VanDerWaalsContact OD1-CZ 3.3Å; D1342-R1377 IonicContact OD1-NH1 2.74Å; D1342-R1377 PolarHBondContact OD1-NH1 2.9Å; D1342-R1377 IonicContact OD1-NH2 2.82Å; D1342-R1377 PolarHBondContact OD1-NH2 3.35Å; D1342-R1377 IonicContact OD2-NH2 3.41Å; I1347-R1377 HydrophobicContact CD1-CB 3.53Å; E1373-R1377 HydrophobicContact CG-CG 4.42Å; E1373-R1377 WeakPolarHBondContact O-CB 3.42Å; E1373-R1377 WeakPolarHBondContact O-CG 3.47Å; E1373-R1377 PolarHBondContact O-N 3.43Å; E1373-R1377 IonicContact OE1-CZ 3.55Å; E1373-R1377 VanDerWaalsContact OE1-CZ 3.3Å; E1373-R1377 IonicContact OE1-NE 3.54Å; E1373-R1377 PolarHBondContact OE1-NE 3.07Å; E1373-R1377 IonicContact OE1-NH2 3.21Å; E1373-R1377 PolarHBondContact OE1-NH2 3.36Å; L1374-R1377 CarbonylContact O-C 3.56Å; L1374-R1377 PolarHBondContact O-N 3.19Å; L1375-R1377 VanDerWaalsContact C-N 3.31Å |
| 1378 | G | 95.4 | Very high | 95.3 | Very high | 59 Ų | 59 | 52 Ų | 52 | 61% | 0.608 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.4 | 13.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | L1374 L1375 N1376 | L1374-G1378 PolarHBondContact O-N 2.99Å; L1374-G1378 VanDerWaalsContact O-N 3.14Å; L1375-G1378 PolarHBondContact O-N 3.32Å; N1376-G1378 VanDerWaalsContact C-N 3.26Å; N1376-G1378 PolarHBondContact O-N 2.98Å |
| 1379 | A | 97.5 | Very high | 95.1 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 5% | 0.05 | 27% | 0.265 | C | S | . | . | trans | -57.8 | 146.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1347 E1348 L1359 L1374 K1381 | I1347-A1379 HydrophobicContact CD1-CB 3.86Å; I1347-A1379 HydrophobicContact CG1-CB 4.04Å; E1348-A1379 WeakPolarHBondContact OE1-CA 3.39Å; L1359-A1379 HydrophobicContact CB-CB 4.03Å; L1359-A1379 HydrophobicContact CD2-CB 3.92Å; L1359-A1379 HydrophobicContact CG-CB 4.44Å; L1374-A1379 HydrophobicContact CB-CB 4.03Å; L1374-A1379 WeakPolarHBondContact O-CB 3.36Å; L1374-A1379 PolarHBondContact O-N 2.9Å; A1379-K1381 PolarHBondContact O-N 3.44Å | ||
| 1380 | N | 96.8 | Very high | 95 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | trans | -75.9 | 89.5 | -172 | -176.2 | 9.4 | 0 | 0 | 0 | 113.1 | E1348 E1382 H1383 | E1348-N1380 WeakPolarHBondContact OE1-CB 3.31Å; E1348-N1380 PolarHBondContact OE1-N 3.32Å; E1348-N1380 VanDerWaalsContact OE2-CB 3.22Å; E1348-N1380 WeakPolarHBondContact OE2-CB 3.5Å; N1380-E1382 PolarHBondContact O-N 3Å; N1380-E1382 PolarHBondContact OD1-N 3.18Å; N1380-E1382 VanDerWaalsContact OD1-N 3.12Å; N1380-H1383 HydrophobicContact CB-CB 4.15Å; N1380-H1383 VanDerWaalsContact O-CB 3.3Å; N1380-H1383 WeakPolarHBondContact O-CB 3.46Å; N1380-H1383 PolarHBondContact O-N 3.49Å; N1380-H1383 PolarHBondContact OD1-N 3.43Å | ||
| 1381 | K | 95.8 | Very high | 94.9 | Very high | 62 Ų | 62 | 47.5 Ų | 47.5 | 27% | 0.27 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -16 | 173.4 | 56.6 | 155.9 | -176.3 | -80.6 | 0 | 116.3 | L1359 L1375 A1379 P1391 L1407 H1410 G1411 A1412 | L1359-K1381 HydrophobicContact CD2-CB 4.3Å; L1375-K1381 HydrophobicContact CD2-CB 3.96Å; A1379-K1381 PolarHBondContact O-N 3.44Å; K1381-P1391 WeakPolarHBondContact O-CD 3.38Å; K1381-L1407 HydrophobicContact CB-CD2 4.23Å; K1381-H1410 WeakPolarHBondContact CD-O 3.48Å; K1381-H1410 WeakPolarHBondContact CE-O 3.47Å; K1381-H1410 PolarHBondContact NZ-O 3.21Å; K1381-G1411 VanDerWaalsContact CE-O 3.3Å; K1381-G1411 WeakPolarHBondContact CE-O 3.32Å; K1381-A1412 HydrophobicContact CD-CB 4.07Å |
| 1382 | E | 94.8 | Very high | 94.9 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 6.8 | 177.4 | -62.2 | -55.1 | 148.4 | 0 | 0 | 113.4 | N1380 A1412 E1413 | N1380-E1382 PolarHBondContact O-N 3Å; N1380-E1382 PolarHBondContact OD1-N 3.18Å; N1380-E1382 VanDerWaalsContact OD1-N 3.12Å; E1382-A1412 WeakPolarHBondContact OE1-CA 3.33Å; E1382-E1413 PolarHBondContact OE1-N 3.32Å |
| 1383 | H | 94.6 | Very high | 94.8 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 11% | 0.106 | 23% | 0.229 | C | C | . | . | trans | -57.3 | 148.7 | 173.9 | -179.4 | 48.8 | 0 | 0 | 0 | 111.3 | Q1350 K1355 N1380 T1390 P1391 | Q1350-H1383 PolarHBondContact NE2-CE1 3.03Å; Q1350-H1383 VanDerWaalsContact NE2-CE1 3.33Å; K1355-H1383 PolarHBondContact O-NE2 2.95Å; N1380-H1383 HydrophobicContact CB-CB 4.15Å; N1380-H1383 VanDerWaalsContact O-CB 3.3Å; N1380-H1383 WeakPolarHBondContact O-CB 3.46Å; N1380-H1383 PolarHBondContact O-N 3.49Å; N1380-H1383 PolarHBondContact OD1-N 3.43Å; H1383-T1390 WeakPolarHBondContact O-CA 3.44Å; H1383-P1391 WeakPolarHBondContact O-CD 3.4Å | ||
| 1384 | R | 92.2 | Very high | 94.7 | Very high | 97 Ų | 97 | 43.2 Ų | 43.2 | 37% | 0.366 | 23% | 0.226 | S | C | . | . | trans | -123 | 123.1 | 179.7 | -71.9 | -175.7 | -172.7 | -173.3 | -1.2 | 110.7 | Y1389 T1390 R1417 | R1384-Y1389 WeakPolarHBondContact CA-O 3.2Å; R1384-T1390 HydrophobicContact CG-CG2 4Å; R1384-R1417 PolarHBondContact NH2-O 3.15Å | ||
| 1385 | N | 91.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | trans | -75.7 | -178.3 | 173.7 | 83.8 | 4.9 | 0 | 0 | 0 | 111.6 | T1354 D1356 S1387 D1388 Y1389 | T1354-N1385 WeakPolarHBondContact O-CB 3.44Å; D1356-N1385 VanDerWaalsContact OD1-CB 3.25Å; D1356-N1385 WeakPolarHBondContact OD1-CB 3.12Å; D1356-N1385 PolarHBondContact OD1-ND2 3.32Å; N1385-S1387 PolarHBondContact O-N 3.26Å; N1385-S1387 PolarHBondContact OD1-N 3.42Å; N1385-D1388 WeakPolarHBondContact O-CA 3.47Å; N1385-D1388 PolarHBondContact O-N 2.99Å; N1385-Y1389 PolarHBondContact N-O 2.9Å; N1385-Y1389 PolarHBondContact OD1-N 3Å | ||
| 1386 | I | 91.5 | Very high | 94.6 | Very high | 113 Ų | 113 | 42.6 Ų | 42.6 | 58% | 0.579 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.1 | -173.4 | -159.3 | 61.2 | 0 | 0 | 0 | 114.2 | T1354 K1355 | T1354-I1386 VanDerWaalsContact O-CB 3.28Å; T1354-I1386 WeakPolarHBondContact O-CB 3.3Å; T1354-I1386 WeakPolarHBondContact O-CG2 3.43Å; T1354-I1386 PolarHBondContact O-N 2.89Å; K1355-I1386 HydrophobicContact CG-CD1 4.39Å |
| 1387 | S | 88.1 | Confident | 94.5 | Very high | 61 Ų | 61 | 39.4 Ų | 39.4 | 43% | 0.427 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 9.1 | 173.9 | -58.4 | 0 | 0 | 0 | 0 | 113 | N1385 Y1389 | N1385-S1387 PolarHBondContact O-N 3.26Å; N1385-S1387 PolarHBondContact OD1-N 3.42Å; S1387-Y1389 VanDerWaalsContact CB-CD2 3.48Å; S1387-Y1389 PolarHBondContact O-N 3.44Å |
| 1388 | D | 90.1 | Very high | 94.3 | Very high | 55 Ų | 55 | 36 Ų | 36 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | trans | 57.6 | 23.9 | -168.8 | -67 | -81 | 0 | 0 | 0 | 115.4 | N1385 T1418 G1419 S1420 | N1385-D1388 WeakPolarHBondContact O-CA 3.47Å; N1385-D1388 PolarHBondContact O-N 2.99Å; D1388-T1418 WeakPolarHBondContact O-CA 2.99Å; D1388-G1419 VanDerWaalsContact CG-CA 3.43Å; D1388-S1420 PolarHBondContact OD2-N 3.46Å | ||
| 1389 | Y | 92.7 | Very high | 94.4 | Very high | 53 Ų | 53 | 34 Ų | 34 | 21% | 0.208 | 18% | 0.181 | C | C | . | . | trans | -78.9 | 130 | 173.9 | -69.6 | -56.6 | 0 | 0 | 0 | 111 | R1384 N1385 S1387 S1393 L1394 T1418 L1429 | R1384-Y1389 WeakPolarHBondContact CA-O 3.2Å; N1385-Y1389 PolarHBondContact N-O 2.9Å; N1385-Y1389 PolarHBondContact OD1-N 3Å; S1387-Y1389 VanDerWaalsContact CB-CD2 3.48Å; S1387-Y1389 PolarHBondContact O-N 3.44Å; Y1389-S1393 VanDerWaalsContact CA-OG 3.32Å; Y1389-S1393 WeakPolarHBondContact CA-OG 3.48Å; Y1389-S1393 WeakPolarHBondContact CB-OG 3.42Å; Y1389-S1393 WeakPolarHBondContact CD1-OG 3.31Å; Y1389-L1394 HydrophobicContact CD2-CD2 4.1Å; Y1389-L1394 HydrophobicContact CG-CD2 4.06Å; Y1389-T1418 HydrophobicContact CD1-CG2 3.59Å; Y1389-T1418 HydrophobicContact CE1-CG2 3.65Å; Y1389-L1429 HydrophobicContact CD1-CD1 4.13Å; Y1389-L1429 HydrophobicContact CE1-CD1 3.79Å; Y1389-L1429 HydrophobicContact CE1-CD2 4.1Å | ||
| 1390 | T | 95 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | trans | -80 | 155.7 | 165.3 | 59 | 0 | 0 | 0 | 0 | 111.1 | H1383 R1384 L1392 S1393 L1394 S1416 | H1383-T1390 WeakPolarHBondContact O-CA 3.44Å; R1384-T1390 HydrophobicContact CG-CG2 4Å; T1390-L1392 PolarHBondContact O-N 3.14Å; T1390-L1392 VanDerWaalsContact O-N 3.12Å; T1390-S1393 PolarHBondContact N-OG 2.94Å; T1390-S1393 WeakPolarHBondContact O-CA 3.5Å; T1390-S1393 PolarHBondContact O-N 3Å; T1390-S1393 PolarHBondContact O-OG 3.15Å; T1390-S1393 PolarHBondContact OG1-N 2.77Å; T1390-S1393 PolarHBondContact OG1-OG 3.1Å; T1390-L1394 PolarHBondContact O-N 2.88Å; T1390-S1416 PolarHBondContact OG1-OG 3.12Å; T1390-S1416 VanDerWaalsContact OG1-OG 3.12Å | ||
| 1391 | P | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -45.2 | -40.3 | 170.2 | -32.9 | 35.6 | 0 | 0 | 0 | 114.4 | L1359 C1363 K1381 H1383 L1394 A1395 L1407 | L1359-P1391 HydrophobicContact CD2-CB 4.46Å; L1359-P1391 HydrophobicContact CD2-CG 4.1Å; L1359-P1391 HydrophobicContact CG-CB 4.36Å; L1359-P1391 HydrophobicContact CG-CG 4.2Å; C1363-P1391 HydrophobicContact CB-CB 4.25Å; K1381-P1391 WeakPolarHBondContact O-CD 3.38Å; H1383-P1391 WeakPolarHBondContact O-CD 3.4Å; P1391-L1394 PolarHBondContact O-N 3.46Å; P1391-A1395 WeakPolarHBondContact O-CB 3.29Å; P1391-A1395 PolarHBondContact O-N 2.82Å; P1391-L1407 HydrophobicContact CB-CD1 4.27Å; P1391-L1407 HydrophobicContact CB-CD2 4.17Å |
| 1392 | L | 97 | Very high | 94.4 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 176.3 | -178.1 | 63.6 | 0 | 0 | 0 | 112.8 | T1390 A1395 A1396 I1404 L1407 L1408 A1412 P1426 | T1390-L1392 PolarHBondContact O-N 3.14Å; T1390-L1392 VanDerWaalsContact O-N 3.12Å; L1392-A1395 PolarHBondContact O-N 2.95Å; L1392-A1396 VanDerWaalsContact O-CB 3.3Å; L1392-A1396 WeakPolarHBondContact O-CB 3.24Å; L1392-A1396 PolarHBondContact O-N 3.48Å; L1392-I1404 HydrophobicContact CD1-CB 4.44Å; L1392-I1404 HydrophobicContact CD1-CG2 3.92Å; L1392-L1407 HydrophobicContact CB-CD1 4.31Å; L1392-L1407 HydrophobicContact CD1-CB 4.19Å; L1392-L1407 HydrophobicContact CD1-CD1 4.35Å; L1392-L1408 HydrophobicContact CD1-CD2 4.37Å; L1392-L1408 HydrophobicContact CD1-CG 4.25Å; L1392-L1408 HydrophobicContact CD2-CD2 3.97Å; L1392-A1412 HydrophobicContact CB-CB 4.31Å; L1392-A1412 HydrophobicContact CD2-CB 4.11Å; L1392-P1426 HydrophobicContact CD2-CG 4.12Å; L1392-P1426 HydrophobicContact CG-CB 4.36Å; L1392-P1426 HydrophobicContact CG-CG 4.07Å |
| 1393 | S | 95 | Very high | 94.6 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.9 | -33.3 | 177 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | Y1389 T1390 S1397 L1429 | Y1389-S1393 VanDerWaalsContact CA-OG 3.32Å; Y1389-S1393 WeakPolarHBondContact CA-OG 3.48Å; Y1389-S1393 WeakPolarHBondContact CB-OG 3.42Å; Y1389-S1393 WeakPolarHBondContact CD1-OG 3.31Å; T1390-S1393 PolarHBondContact N-OG 2.94Å; T1390-S1393 WeakPolarHBondContact O-CA 3.5Å; T1390-S1393 PolarHBondContact O-N 3Å; T1390-S1393 PolarHBondContact O-OG 3.15Å; T1390-S1393 PolarHBondContact OG1-N 2.77Å; T1390-S1393 PolarHBondContact OG1-OG 3.1Å; S1393-S1397 WeakPolarHBondContact O-CB 3.36Å; S1393-S1397 PolarHBondContact O-N 3.02Å; S1393-L1429 WeakPolarHBondContact O-CD1 3.34Å |
| 1394 | L | 95 | Very high | 94.7 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 9% | 0.089 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.9 | -48.2 | 171.3 | -64.9 | 172.1 | 0 | 0 | 0 | 110.9 | S1360 Y1389 T1390 P1391 A1396 S1397 G1398 | S1360-L1394 WeakPolarHBondContact O-CD1 3.48Å; Y1389-L1394 HydrophobicContact CD2-CD2 4.1Å; Y1389-L1394 HydrophobicContact CG-CD2 4.06Å; T1390-L1394 PolarHBondContact O-N 2.88Å; P1391-L1394 PolarHBondContact O-N 3.46Å; L1394-A1396 VanDerWaalsContact C-N 3.32Å; L1394-A1396 PolarHBondContact O-N 2.89Å; L1394-S1397 WeakPolarHBondContact O-CB 3.39Å; L1394-S1397 PolarHBondContact O-N 3.44Å; L1394-S1397 VanDerWaalsContact O-N 3.13Å; L1394-G1398 PolarHBondContact O-N 3.44Å |
| 1395 | A | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1391 L1392 G1398 G1399 Y1400 V1403 I1404 L1407 | P1391-A1395 WeakPolarHBondContact O-CB 3.29Å; P1391-A1395 PolarHBondContact O-N 2.82Å; L1392-A1395 PolarHBondContact O-N 2.95Å; A1395-G1398 PolarHBondContact O-N 3.13Å; A1395-G1399 PolarHBondContact O-N 2.97Å; A1395-Y1400 PolarHBondContact O-N 3.39Å; A1395-V1403 HydrophobicContact CB-CB 4.32Å; A1395-V1403 HydrophobicContact CB-CG1 3.71Å; A1395-I1404 HydrophobicContact CB-CG1 3.76Å; A1395-L1407 HydrophobicContact CB-CD1 4.02Å |
| 1396 | A | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70 | -32.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1392 L1394 G1399 I1404 P1426 A1430 L1442 | L1392-A1396 VanDerWaalsContact O-CB 3.3Å; L1392-A1396 WeakPolarHBondContact O-CB 3.24Å; L1392-A1396 PolarHBondContact O-N 3.48Å; L1394-A1396 VanDerWaalsContact C-N 3.32Å; L1394-A1396 PolarHBondContact O-N 2.89Å; A1396-G1399 PolarHBondContact O-N 3.33Å; A1396-I1404 HydrophobicContact CB-CD1 4.28Å; A1396-P1426 HydrophobicContact CB-CB 3.63Å; A1396-P1426 WeakPolarHBondContact CB-O 3.22Å; A1396-A1430 HydrophobicContact CB-CB 4.43Å; A1396-A1430 WeakPolarHBondContact O-CA 3.49Å; A1396-L1442 HydrophobicContact CB-CD1 4.07Å |
| 1397 | S | 95.1 | Very high | 95.5 | Very high | 37 Ų | 37 | 26.6 Ų | 26.6 | 26% | 0.259 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -70 | -37.3 | 173.8 | -167.1 | 0 | 0 | 0 | 0 | 112.2 | S1393 L1394 N1433 H1435 | S1393-S1397 WeakPolarHBondContact O-CB 3.36Å; S1393-S1397 PolarHBondContact O-N 3.02Å; L1394-S1397 WeakPolarHBondContact O-CB 3.39Å; L1394-S1397 PolarHBondContact O-N 3.44Å; L1394-S1397 VanDerWaalsContact O-N 3.13Å; S1397-N1433 PolarHBondContact O-ND2 3.41Å; S1397-N1433 PolarHBondContact OG-ND2 3.24Å; S1397-H1435 PolarHBondContact O-CD2 3.01Å; S1397-H1435 PolarHBondContact O-NE2 3.28Å |
| 1398 | G | 93.1 | Very high | 96 | Very high | 23 Ų | 23 | 24.9 Ų | 24.9 | 24% | 0.237 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -80.8 | -13.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1394 A1395 H1435 | L1394-G1398 PolarHBondContact O-N 3.44Å; A1395-G1398 PolarHBondContact O-N 3.13Å; G1398-H1435 WeakPolarHBondContact CA-NE2 3.3Å; G1398-H1435 PolarHBondContact O-NE2 2.89Å |
| 1399 | G | 96 | Very high | 96.2 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 13.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1395 A1396 V1401 H1435 | A1395-G1399 PolarHBondContact O-N 2.97Å; A1396-G1399 PolarHBondContact O-N 3.33Å; G1399-V1401 VanDerWaalsContact C-N 3.34Å; G1399-V1401 WeakPolarHBondContact O-CG2 3.44Å; G1399-V1401 PolarHBondContact O-N 3.27Å; G1399-H1435 VanDerWaalsContact CA-CD2 3.43Å; G1399-H1435 WeakPolarHBondContact CA-CD2 3.48Å; G1399-H1435 VanDerWaalsContact CA-CG 3.47Å; G1399-H1435 PolarHBondContact N-CD2 3.33Å; G1399-H1435 PolarHBondContact N-NE2 3.25Å |
| 1400 | Y | 97.3 | Very high | 96.4 | Very high | 82 Ų | 82 | 31 Ų | 31 | 32% | 0.322 | 15% | 0.153 | S | C | . | . | trans | -73 | 79.6 | -172.3 | -54.4 | -56.9 | 0 | 0 | 0 | 112.4 | C1363 S1364 A1395 E1402 V1403 I1404 | C1363-Y1400 VanDerWaalsContact O-CD2 3.3Å; C1363-Y1400 WeakPolarHBondContact O-CD2 3.44Å; S1364-Y1400 WeakPolarHBondContact O-CE2 3.43Å; S1364-Y1400 PolarHBondContact O-OH 2.84Å; A1395-Y1400 PolarHBondContact O-N 3.39Å; Y1400-E1402 VanDerWaalsContact C-N 3.3Å; Y1400-E1402 PolarHBondContact O-N 3.19Å; Y1400-E1402 VanDerWaalsContact O-N 3.17Å; Y1400-V1403 PolarHBondContact O-N 2.87Å; Y1400-V1403 VanDerWaalsContact O-N 3.08Å; Y1400-I1404 WeakPolarHBondContact O-CG1 3.31Å; Y1400-I1404 PolarHBondContact O-N 3.35Å | ||
| 1401 | V | 96.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 28% | 0.279 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -48.7 | -45.6 | -171.3 | -173.9 | 0 | 0 | 0 | 0 | 113.4 | G1399 I1404 Q1405 V1437 L1441 | G1399-V1401 VanDerWaalsContact C-N 3.34Å; G1399-V1401 WeakPolarHBondContact O-CG2 3.44Å; G1399-V1401 PolarHBondContact O-N 3.27Å; V1401-I1404 WeakPolarHBondContact O-CB 3.38Å; V1401-I1404 PolarHBondContact O-N 2.92Å; V1401-Q1405 PolarHBondContact O-N 3.25Å; V1401-V1437 HydrophobicContact CB-CG1 4.5Å; V1401-V1437 HydrophobicContact CG1-CG1 3.93Å; V1401-V1437 HydrophobicContact CG2-CB 3.89Å; V1401-V1437 HydrophobicContact CG2-CG1 3.72Å; V1401-L1441 HydrophobicContact CG1-CD2 3.91Å; V1401-L1441 WeakPolarHBondContact O-CD2 3.36Å |
| 1402 | E | 97 | Very high | 96.4 | Very high | 85 Ų | 85 | 33.9 Ų | 33.9 | 40% | 0.397 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -72.5 | -37.6 | -176.9 | -59.4 | -175 | 150 | 0 | 0 | 112.2 | M1147 L1368 Y1400 Q1405 L1406 | M1147-E1402 WeakPolarHBondContact CE-OE2 3.39Å; L1368-E1402 HydrophobicContact CD1-CB 3.99Å; L1368-E1402 HydrophobicContact CD2-CB 4.11Å; L1368-E1402 WeakPolarHBondContact CD2-OE2 3.39Å; Y1400-E1402 VanDerWaalsContact C-N 3.3Å; Y1400-E1402 PolarHBondContact O-N 3.19Å; Y1400-E1402 VanDerWaalsContact O-N 3.17Å; E1402-Q1405 PolarHBondContact O-N 3.05Å; E1402-L1406 WeakPolarHBondContact O-CB 3.5Å; E1402-L1406 PolarHBondContact O-N 3.06Å |
| 1403 | V | 98 | Very high | 96.3 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 173 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | C1363 L1368 V1371 A1395 Y1400 L1406 L1407 | C1363-V1403 HydrophobicContact CB-CG1 4.28Å; L1368-V1403 HydrophobicContact CB-CG2 4.31Å; L1368-V1403 HydrophobicContact CD1-CG2 4.07Å; V1371-V1403 HydrophobicContact CG1-CG1 4.28Å; V1371-V1403 HydrophobicContact CG2-CG1 4.19Å; A1395-V1403 HydrophobicContact CB-CB 4.32Å; A1395-V1403 HydrophobicContact CB-CG1 3.71Å; Y1400-V1403 PolarHBondContact O-N 2.87Å; Y1400-V1403 VanDerWaalsContact O-N 3.08Å; V1403-L1406 PolarHBondContact O-N 3.14Å; V1403-L1407 HydrophobicContact CG1-CD1 3.97Å; V1403-L1407 HydrophobicContact CG1-CG 4.49Å; V1403-L1407 WeakPolarHBondContact O-CB 3.23Å; V1403-L1407 VanDerWaalsContact O-CG 3.29Å; V1403-L1407 WeakPolarHBondContact O-CG 3.46Å; V1403-L1407 PolarHBondContact O-N 2.88Å |
| 1404 | I | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -47 | 172.5 | -63.8 | 165.4 | 0 | 0 | 0 | 109.9 | L1392 A1395 A1396 Y1400 V1401 L1406 L1407 L1408 A1438 L1441 L1442 | L1392-I1404 HydrophobicContact CD1-CB 4.44Å; L1392-I1404 HydrophobicContact CD1-CG2 3.92Å; A1395-I1404 HydrophobicContact CB-CG1 3.76Å; A1396-I1404 HydrophobicContact CB-CD1 4.28Å; Y1400-I1404 WeakPolarHBondContact O-CG1 3.31Å; Y1400-I1404 PolarHBondContact O-N 3.35Å; V1401-I1404 WeakPolarHBondContact O-CB 3.38Å; V1401-I1404 PolarHBondContact O-N 2.92Å; I1404-L1406 PolarHBondContact O-N 3.31Å; I1404-L1407 PolarHBondContact O-N 3.28Å; I1404-L1408 HydrophobicContact CG2-CD1 3.85Å; I1404-L1408 HydrophobicContact CG2-CG 4.47Å; I1404-L1408 WeakPolarHBondContact O-CB 3.49Å; I1404-L1408 VanDerWaalsContact O-CG 3.24Å; I1404-L1408 WeakPolarHBondContact O-CG 3.34Å; I1404-L1408 PolarHBondContact O-N 2.93Å; I1404-A1438 HydrophobicContact CD1-CB 3.6Å; I1404-L1441 HydrophobicContact CB-CD2 4Å; I1404-L1441 HydrophobicContact CG2-CD2 3.67Å; I1404-L1442 HydrophobicContact CG2-CD2 3.98Å; I1404-L1442 HydrophobicContact CG2-CG 4.32Å |
| 1405 | Q | 97.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 179.8 | -159.7 | -175.9 | 32.2 | 0 | 0 | 111.9 | V1401 E1402 L1408 R1409 L1441 | V1401-Q1405 PolarHBondContact O-N 3.25Å; E1402-Q1405 PolarHBondContact O-N 3.05Å; Q1405-L1408 PolarHBondContact O-N 3.27Å; Q1405-R1409 VanDerWaalsContact O-CG 3.26Å; Q1405-R1409 WeakPolarHBondContact O-CG 3.26Å; Q1405-R1409 PolarHBondContact O-N 3.08Å; Q1405-L1441 HydrophobicContact CB-CD2 4Å; Q1405-L1441 HydrophobicContact CG-CD1 4.45Å |
| 1406 | L | 97.5 | Very high | 95.8 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65 | -47.5 | 176.9 | -177.8 | 62.3 | 0 | 0 | 0 | 111.8 | L1368 V1371 E1372 L1375 E1402 V1403 I1404 L1408 R1409 H1410 | L1368-L1406 HydrophobicContact CD1-CB 4.39Å; L1368-L1406 HydrophobicContact CD1-CD2 3.84Å; V1371-L1406 HydrophobicContact CB-CD2 4.34Å; V1371-L1406 HydrophobicContact CG1-CD2 3.91Å; E1372-L1406 HydrophobicContact CB-CD2 3.84Å; L1375-L1406 HydrophobicContact CD1-CD2 4.25Å; L1375-L1406 HydrophobicContact CD1-CG 3.98Å; E1402-L1406 WeakPolarHBondContact O-CB 3.5Å; E1402-L1406 PolarHBondContact O-N 3.06Å; V1403-L1406 PolarHBondContact O-N 3.14Å; I1404-L1406 PolarHBondContact O-N 3.31Å; L1406-L1408 VanDerWaalsContact C-N 3.32Å; L1406-L1408 PolarHBondContact O-N 3.25Å; L1406-R1409 WeakPolarHBondContact O-CB 3.39Å; L1406-R1409 PolarHBondContact O-N 3.14Å; L1406-R1409 VanDerWaalsContact O-N 3.17Å; L1406-H1410 PolarHBondContact O-CD2 2.73Å; L1406-H1410 VanDerWaalsContact O-CD2 3.3Å; L1406-H1410 PolarHBondContact O-N 3.42Å |
| 1407 | L | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 175.5 | -73.3 | 166.7 | 0 | 0 | 0 | 112.1 | L1375 K1381 P1391 L1392 A1395 V1403 I1404 H1410 G1411 A1412 | L1375-L1407 HydrophobicContact CD1-CD2 4.01Å; L1375-L1407 HydrophobicContact CD2-CD2 4.19Å; K1381-L1407 HydrophobicContact CB-CD2 4.23Å; P1391-L1407 HydrophobicContact CB-CD1 4.27Å; P1391-L1407 HydrophobicContact CB-CD2 4.17Å; L1392-L1407 HydrophobicContact CB-CD1 4.31Å; L1392-L1407 HydrophobicContact CD1-CB 4.19Å; L1392-L1407 HydrophobicContact CD1-CD1 4.35Å; A1395-L1407 HydrophobicContact CB-CD1 4.02Å; V1403-L1407 HydrophobicContact CG1-CD1 3.97Å; V1403-L1407 HydrophobicContact CG1-CG 4.49Å; V1403-L1407 WeakPolarHBondContact O-CB 3.23Å; V1403-L1407 VanDerWaalsContact O-CG 3.29Å; V1403-L1407 WeakPolarHBondContact O-CG 3.46Å; V1403-L1407 PolarHBondContact O-N 2.88Å; I1404-L1407 PolarHBondContact O-N 3.28Å; L1407-H1410 CarbonylContact O-C 3.57Å; L1407-H1410 PolarHBondContact O-N 3.03Å; L1407-G1411 PolarHBondContact O-N 3.45Å; L1407-G1411 VanDerWaalsContact O-N 3.14Å; L1407-A1412 HydrophobicContact CB-CB 4.09Å; L1407-A1412 VanDerWaalsContact O-CB 3.29Å; L1407-A1412 WeakPolarHBondContact O-CB 3.27Å; L1407-A1412 PolarHBondContact O-N 3.48Å |
| 1408 | L | 96.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.3 | -37.6 | 175.6 | -68.7 | 171.7 | 0 | 0 | 0 | 112.3 | L1392 I1404 Q1405 L1406 H1410 G1411 I1414 L1442 H1445 | L1392-L1408 HydrophobicContact CD1-CD2 4.37Å; L1392-L1408 HydrophobicContact CD1-CG 4.25Å; L1392-L1408 HydrophobicContact CD2-CD2 3.97Å; I1404-L1408 HydrophobicContact CG2-CD1 3.85Å; I1404-L1408 HydrophobicContact CG2-CG 4.47Å; I1404-L1408 WeakPolarHBondContact O-CB 3.49Å; I1404-L1408 VanDerWaalsContact O-CG 3.24Å; I1404-L1408 WeakPolarHBondContact O-CG 3.34Å; I1404-L1408 PolarHBondContact O-N 2.93Å; Q1405-L1408 PolarHBondContact O-N 3.27Å; L1406-L1408 VanDerWaalsContact C-N 3.32Å; L1406-L1408 PolarHBondContact O-N 3.25Å; L1408-H1410 VanDerWaalsContact C-N 3.34Å; L1408-H1410 PolarHBondContact O-N 3.25Å; L1408-G1411 WeakPolarHBondContact O-CA 3.23Å; L1408-G1411 PolarHBondContact O-N 3.34Å; L1408-I1414 HydrophobicContact CD1-CD1 4.42Å; L1408-I1414 HydrophobicContact CD2-CB 3.81Å; L1408-I1414 HydrophobicContact CD2-CD1 4.13Å; L1408-I1414 HydrophobicContact CD2-CG1 3.95Å; L1408-L1442 HydrophobicContact CD1-CD2 4.41Å; L1408-H1445 HydrophobicContact CD1-CB 4.04Å |
| 1409 | R | 95.8 | Very high | 93.5 | Very high | 172 Ų | 172 | 46 Ų | 46 | 65% | 0.649 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.4 | -38.4 | 171.5 | -73.5 | 170.6 | -171.1 | 173.8 | 6.5 | 112.2 | Q1405 L1406 G1411 | Q1405-R1409 VanDerWaalsContact O-CG 3.26Å; Q1405-R1409 WeakPolarHBondContact O-CG 3.26Å; Q1405-R1409 PolarHBondContact O-N 3.08Å; L1406-R1409 WeakPolarHBondContact O-CB 3.39Å; L1406-R1409 PolarHBondContact O-N 3.14Å; L1406-R1409 VanDerWaalsContact O-N 3.17Å; R1409-G1411 PolarHBondContact O-N 2.83Å |
| 1410 | H | 96.4 | Very high | 92.4 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 29% | 0.292 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 4.3 | 172.7 | -75.5 | -111.2 | 0 | 0 | 0 | 113.3 | L1375 K1381 L1406 L1407 L1408 | L1375-H1410 HydrophobicContact CD1-CB 4.32Å; K1381-H1410 WeakPolarHBondContact CD-O 3.48Å; K1381-H1410 WeakPolarHBondContact CE-O 3.47Å; K1381-H1410 PolarHBondContact NZ-O 3.21Å; L1406-H1410 PolarHBondContact O-CD2 2.73Å; L1406-H1410 VanDerWaalsContact O-CD2 3.3Å; L1406-H1410 PolarHBondContact O-N 3.42Å; L1407-H1410 CarbonylContact O-C 3.57Å; L1407-H1410 PolarHBondContact O-N 3.03Å; L1408-H1410 VanDerWaalsContact C-N 3.34Å; L1408-H1410 PolarHBondContact O-N 3.25Å |
| 1411 | G | 95.2 | Very high | 90.8 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 55% | 0.546 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 34.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1381 L1407 L1408 R1409 | K1381-G1411 VanDerWaalsContact CE-O 3.3Å; K1381-G1411 WeakPolarHBondContact CE-O 3.32Å; L1407-G1411 PolarHBondContact O-N 3.45Å; L1407-G1411 VanDerWaalsContact O-N 3.14Å; L1408-G1411 WeakPolarHBondContact O-CA 3.23Å; L1408-G1411 PolarHBondContact O-N 3.34Å; R1409-G1411 PolarHBondContact O-N 2.83Å |
| 1412 | A | 96.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | trans | -67.1 | 145.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1381 E1382 L1392 L1407 I1414 | K1381-A1412 HydrophobicContact CD-CB 4.07Å; E1382-A1412 WeakPolarHBondContact OE1-CA 3.33Å; L1392-A1412 HydrophobicContact CB-CB 4.31Å; L1392-A1412 HydrophobicContact CD2-CB 4.11Å; L1407-A1412 HydrophobicContact CB-CB 4.09Å; L1407-A1412 VanDerWaalsContact O-CB 3.29Å; L1407-A1412 WeakPolarHBondContact O-CB 3.27Å; L1407-A1412 PolarHBondContact O-N 3.48Å; A1412-I1414 PolarHBondContact O-N 3.07Å | ||
| 1413 | E | 95 | Very high | 89.1 | Confident | 110 Ų | 110 | 48.2 Ų | 48.2 | 51% | 0.514 | 25% | 0.251 | S | S | . | . | trans | -69.8 | 100.7 | -178.6 | -174.5 | -177.2 | -139.7 | 0 | 0 | 111.3 | E1382 N1415 S1416 | E1382-E1413 PolarHBondContact OE1-N 3.32Å; E1413-N1415 PolarHBondContact O-N 3.35Å; E1413-S1416 WeakPolarHBondContact O-CB 3.4Å; E1413-S1416 PolarHBondContact O-N 3.05Å; E1413-S1416 PolarHBondContact O-OG 3.21Å; E1413-S1416 WeakPolarHBondContact OE2-CA 3.4Å | ||
| 1414 | I | 94.6 | Very high | 88.7 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 14% | 0.138 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28 | -175.4 | -167.1 | 168.9 | 0 | 0 | 0 | 115.3 | L1408 A1412 L1442 H1445 | L1408-I1414 HydrophobicContact CD1-CD1 4.42Å; L1408-I1414 HydrophobicContact CD2-CB 3.81Å; L1408-I1414 HydrophobicContact CD2-CD1 4.13Å; L1408-I1414 HydrophobicContact CD2-CG1 3.95Å; A1412-I1414 PolarHBondContact O-N 3.07Å; I1414-L1442 HydrophobicContact CD1-CD2 4.34Å; I1414-L1442 WeakPolarHBondContact CD1-O 3.4Å; I1414-L1442 HydrophobicContact CG1-CD2 4Å; I1414-H1445 VanDerWaalsContact CD1-C 3.46Å; I1414-H1445 HydrophobicContact CD1-CB 3.38Å; I1414-H1445 WeakPolarHBondContact CD1-O 3.35Å |
| 1415 | N | 91.6 | Very high | 88.6 | Confident | 56 Ų | 56 | 49 Ų | 49 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 18.8 | 178.1 | -68.6 | -53 | 0 | 0 | 0 | 112.6 | E1413 R1417 S1447 D1448 | E1413-N1415 PolarHBondContact O-N 3.35Å; N1415-R1417 PolarHBondContact O-N 3.39Å; N1415-R1417 VanDerWaalsContact O-N 3.07Å; N1415-S1447 WeakPolarHBondContact OD1-CA 3.19Å; N1415-S1447 PolarHBondContact OD1-OG 2.79Å; N1415-D1448 PolarHBondContact OD1-N 2.81Å |
| 1416 | S | 89.2 | Confident | 88.5 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | trans | -53.4 | 113.4 | 179.4 | 70 | 0 | 0 | 0 | 0 | 110.6 | T1390 E1413 P1426 | T1390-S1416 PolarHBondContact OG1-OG 3.12Å; T1390-S1416 VanDerWaalsContact OG1-OG 3.12Å; E1413-S1416 WeakPolarHBondContact O-CB 3.4Å; E1413-S1416 PolarHBondContact O-N 3.05Å; E1413-S1416 PolarHBondContact O-OG 3.21Å; E1413-S1416 WeakPolarHBondContact OE2-CA 3.4Å; S1416-P1426 WeakPolarHBondContact O-CD 3.45Å | ||
| 1417 | R | 86.1 | Confident | 88.5 | Confident | 90 Ų | 90 | 45.3 Ų | 45.3 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | trans | -88.5 | 137.8 | 176.1 | -67 | -176.7 | -179.6 | -126.6 | 8.3 | 110.5 | R1384 N1415 G1419 G1423 I1424 H1452 | R1384-R1417 PolarHBondContact NH2-O 3.15Å; N1415-R1417 PolarHBondContact O-N 3.39Å; N1415-R1417 VanDerWaalsContact O-N 3.07Å; R1417-G1419 PolarHBondContact O-N 2.99Å; R1417-G1423 WeakPolarHBondContact CD-O 3.42Å; R1417-G1423 PolarHBondContact NH1-O 2.67Å; R1417-I1424 WeakPolarHBondContact CA-O 3.35Å; R1417-H1452 PolarHBondContact NH1-O 3.28Å | ||
| 1418 | T | 81.1 | Confident | 88.4 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | trans | -53.3 | 130.6 | 167.7 | 63.3 | 0 | 0 | 0 | 0 | 109.5 | D1388 Y1389 S1420 G1423 I1424 | D1388-T1418 WeakPolarHBondContact O-CA 2.99Å; Y1389-T1418 HydrophobicContact CD1-CG2 3.59Å; Y1389-T1418 HydrophobicContact CE1-CG2 3.65Å; T1418-S1420 PolarHBondContact O-N 3.44Å; T1418-S1420 VanDerWaalsContact O-N 3.13Å; T1418-S1420 PolarHBondContact OG1-OG 3.25Å; T1418-G1423 WeakPolarHBondContact O-CA 3.5Å; T1418-G1423 PolarHBondContact OG1-N 3.43Å; T1418-I1424 HydrophobicContact CG2-CB 4.33Å; T1418-I1424 PolarHBondContact N-O 3.13Å; T1418-I1424 PolarHBondContact OG1-N 3.22Å; T1418-I1424 VanDerWaalsContact OG1-N 3.11Å | ||
| 1419 | G | 71.3 | Confident | 88.3 | Confident | 44 Ų | 44 | 44.3 Ų | 44.3 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -58.1 | -17.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1388 R1417 | D1388-G1419 VanDerWaalsContact CG-CA 3.43Å; R1417-G1419 PolarHBondContact O-N 2.99Å |
| 1420 | S | 71.1 | Confident | 88.3 | Confident | 38 Ų | 38 | 36.1 Ų | 36.1 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -50.9 | 151.9 | 169.8 | 90.1 | 0 | 0 | 0 | 0 | 111.7 | D1388 T1418 L1422 G1423 | D1388-S1420 PolarHBondContact OD2-N 3.46Å; T1418-S1420 PolarHBondContact O-N 3.44Å; T1418-S1420 VanDerWaalsContact O-N 3.13Å; T1418-S1420 PolarHBondContact OG1-OG 3.25Å; S1420-L1422 PolarHBondContact O-N 2.89Å; S1420-L1422 PolarHBondContact OG-N 2.82Å; S1420-G1423 PolarHBondContact O-N 2.71Å |
| 1421 | K | 64.6 | Low | 88.4 | Confident | 187 Ų | 187 | 33.1 Ų | 33.1 | 81% | 0.813 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -9.6 | 179 | -68.3 | -179.7 | 179.6 | 174 | 0 | 114.8 | T1455 | K1421-T1455 WeakPolarHBondContact O-CG2 3.35Š|
| 1422 | L | 74.3 | Confident | 88.3 | Confident | 39 Ų | 39 | 32.6 Ų | 32.6 | 20% | 0.204 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -31.7 | 176.8 | -57.1 | -177.3 | 0 | 0 | 0 | 112.4 | L1032 S1420 I1424 I1453 T1455 | L1032-L1422 HydrophobicContact CB-CD1 4.18Å; S1420-L1422 PolarHBondContact O-N 2.89Å; S1420-L1422 PolarHBondContact OG-N 2.82Å; L1422-I1424 HydrophobicContact CB-CD1 3.99Å; L1422-I1424 HydrophobicContact CB-CG1 3.62Å; L1422-I1424 HydrophobicContact CD1-CD1 3.92Å; L1422-I1453 HydrophobicContact CB-CG2 4.33Å; L1422-I1453 HydrophobicContact CD2-CG2 4.45Å; L1422-I1453 WeakPolarHBondContact O-CA 3.38Å; L1422-I1453 VanDerWaalsContact O-CG2 3.3Å; L1422-I1453 WeakPolarHBondContact O-CG2 3.46Å; L1422-T1455 HydrophobicContact CD2-CG2 4.48Å; L1422-T1455 VanDerWaalsContact CD2-OG1 3.32Å; L1422-T1455 WeakPolarHBondContact CD2-OG1 3.48Å |
| 1423 | G | 83.5 | Confident | 88.2 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | trans | 62.2 | 40.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1417 T1418 S1420 | R1417-G1423 WeakPolarHBondContact CD-O 3.42Å; R1417-G1423 PolarHBondContact NH1-O 2.67Å; T1418-G1423 WeakPolarHBondContact O-CA 3.5Å; T1418-G1423 PolarHBondContact OG1-N 3.43Å; S1420-G1423 PolarHBondContact O-N 2.71Å | ||
| 1424 | I | 90.6 | Very high | 88.2 | Confident | 17 Ų | 17 | 29.9 Ų | 29.9 | 9% | 0.087 | 16% | 0.163 | C | C | . | . | trans | -73.3 | 140.8 | -175.7 | -48.5 | -176.9 | 0 | 0 | 0 | 109.9 | R1417 T1418 L1422 M1428 L1429 I1453 | R1417-I1424 WeakPolarHBondContact CA-O 3.35Å; T1418-I1424 HydrophobicContact CG2-CB 4.33Å; T1418-I1424 PolarHBondContact N-O 3.13Å; T1418-I1424 PolarHBondContact OG1-N 3.22Å; T1418-I1424 VanDerWaalsContact OG1-N 3.11Å; L1422-I1424 HydrophobicContact CB-CD1 3.99Å; L1422-I1424 HydrophobicContact CB-CG1 3.62Å; L1422-I1424 HydrophobicContact CD1-CD1 3.92Å; I1424-M1428 HydrophobicContact CG2-CB 3.56Å; I1424-M1428 HydrophobicContact CG2-CG 4.42Å; I1424-M1428 HydrophobicContact CG2-SD 3.98Å; I1424-L1429 HydrophobicContact CG2-CD2 3.84Å; I1424-L1429 HydrophobicContact CG2-CG 3.85Å; I1424-I1453 HydrophobicContact CD1-CD1 4.46Å; I1424-I1453 HydrophobicContact CG1-CD1 4.05Å; I1424-I1453 HydrophobicContact CG1-CG1 4.26Å | ||
| 1425 | S | 94 | Very high | 88.3 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | trans | -100.7 | 162.8 | 175.1 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | L1427 M1428 L1429 | S1425-L1427 VanDerWaalsContact C-N 3.25Å; S1425-L1427 PolarHBondContact O-N 3.5Å; S1425-M1428 WeakPolarHBondContact O-CB 3.36Å; S1425-M1428 PolarHBondContact O-N 3.4Å; S1425-M1428 WeakPolarHBondContact OG-CG 3.48Å; S1425-L1429 PolarHBondContact O-N 3.13Å | ||
| 1426 | P | 95.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.2 | -39.4 | 177.4 | -26.4 | 36 | 0 | 0 | 0 | 112.9 | L1392 A1396 S1416 M1428 L1429 A1430 L1442 | L1392-P1426 HydrophobicContact CD2-CG 4.12Å; L1392-P1426 HydrophobicContact CG-CB 4.36Å; L1392-P1426 HydrophobicContact CG-CG 4.07Å; A1396-P1426 HydrophobicContact CB-CB 3.63Å; A1396-P1426 WeakPolarHBondContact CB-O 3.22Å; S1416-P1426 WeakPolarHBondContact O-CD 3.45Å; P1426-M1428 VanDerWaalsContact C-N 3.33Å; P1426-M1428 PolarHBondContact O-N 3.01Å; P1426-L1429 PolarHBondContact O-N 3.42Å; P1426-A1430 PolarHBondContact O-N 3.44Å; P1426-L1442 HydrophobicContact CB-CD1 4.12Å; P1426-L1442 HydrophobicContact CB-CD2 4.26Å |
| 1427 | L | 97.2 | Very high | 89 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 176.7 | 178.8 | 65.7 | 0 | 0 | 0 | 112.6 | S1425 S1431 V1439 L1442 L1443 S1447 A1460 | S1425-L1427 VanDerWaalsContact C-N 3.25Å; S1425-L1427 PolarHBondContact O-N 3.5Å; L1427-S1431 VanDerWaalsContact O-CB 3.22Å; L1427-S1431 WeakPolarHBondContact O-CB 3.46Å; L1427-S1431 PolarHBondContact O-N 3.08Å; L1427-S1431 PolarHBondContact O-OG 3.09Å; L1427-V1439 HydrophobicContact CD1-CB 4.43Å; L1427-V1439 HydrophobicContact CD1-CG1 3.91Å; L1427-L1442 HydrophobicContact CD1-CB 4.24Å; L1427-L1443 HydrophobicContact CD1-CD2 4.04Å; L1427-L1443 HydrophobicContact CD1-CG 3.92Å; L1427-L1443 HydrophobicContact CD2-CD2 3.73Å; L1427-S1447 WeakPolarHBondContact CB-OG 3.47Å; L1427-A1460 HydrophobicContact CD2-CB 4.41Å; L1427-A1460 HydrophobicContact CG-CB 4.21Å |
| 1428 | M | 95.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.6 | -40.2 | 177.4 | -69.4 | 168.5 | -177.8 | 0 | 0 | 111.9 | I1424 S1425 P1426 S1431 M1432 A1451 I1453 A1460 L1463 | I1424-M1428 HydrophobicContact CG2-CB 3.56Å; I1424-M1428 HydrophobicContact CG2-CG 4.42Å; I1424-M1428 HydrophobicContact CG2-SD 3.98Å; S1425-M1428 WeakPolarHBondContact O-CB 3.36Å; S1425-M1428 PolarHBondContact O-N 3.4Å; S1425-M1428 WeakPolarHBondContact OG-CG 3.48Å; P1426-M1428 VanDerWaalsContact C-N 3.33Å; P1426-M1428 PolarHBondContact O-N 3.01Å; M1428-S1431 PolarHBondContact O-N 3.34Å; M1428-M1432 VanDerWaalsContact O-CB 3.27Å; M1428-M1432 WeakPolarHBondContact O-CB 3.3Å; M1428-M1432 PolarHBondContact O-N 3.25Å; M1428-A1451 HydrophobicContact CE-CB 3.89Å; M1428-A1451 WeakPolarHBondContact CE-O 3.4Å; M1428-I1453 HydrophobicContact CE-CG1 4.38Å; M1428-I1453 HydrophobicContact SD-CD1 4.39Å; M1428-I1453 HydrophobicContact SD-CG1 3.79Å; M1428-A1460 HydrophobicContact CG-CB 4.48Å; M1428-L1463 HydrophobicContact CB-CD1 3.88Å; M1428-L1463 HydrophobicContact CG-CD1 4.2Å |
| 1429 | L | 94.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.7 | -51 | 177.2 | -63.7 | 168.6 | 0 | 0 | 0 | 110.8 | Y1389 S1393 I1424 S1425 P1426 S1431 M1432 N1433 | Y1389-L1429 HydrophobicContact CD1-CD1 4.13Å; Y1389-L1429 HydrophobicContact CE1-CD1 3.79Å; Y1389-L1429 HydrophobicContact CE1-CD2 4.1Å; S1393-L1429 WeakPolarHBondContact O-CD1 3.34Å; I1424-L1429 HydrophobicContact CG2-CD2 3.84Å; I1424-L1429 HydrophobicContact CG2-CG 3.85Å; S1425-L1429 PolarHBondContact O-N 3.13Å; P1426-L1429 PolarHBondContact O-N 3.42Å; L1429-S1431 VanDerWaalsContact C-N 3.27Å; L1429-S1431 PolarHBondContact O-N 3.1Å; L1429-M1432 PolarHBondContact O-N 2.96Å; L1429-N1433 WeakPolarHBondContact O-CB 3.15Å; L1429-N1433 PolarHBondContact O-N 3.4Å |
| 1430 | A | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.3 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1396 P1426 G1434 H1435 A1438 V1439 L1442 | A1396-A1430 HydrophobicContact CB-CB 4.43Å; A1396-A1430 WeakPolarHBondContact O-CA 3.49Å; P1426-A1430 PolarHBondContact O-N 3.44Å; A1430-G1434 PolarHBondContact O-N 3.47Å; A1430-G1434 VanDerWaalsContact O-N 3.14Å; A1430-H1435 HydrophobicContact CB-CB 4.34Å; A1430-H1435 PolarHBondContact O-N 3.18Å; A1430-A1438 HydrophobicContact CB-CB 4.16Å; A1430-V1439 HydrophobicContact CB-CG2 3.73Å; A1430-L1442 HydrophobicContact CB-CD1 4.15Å |
| 1431 | S | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72 | -36.6 | 179.7 | -57.9 | 0 | 0 | 0 | 0 | 113.5 | L1427 M1428 L1429 | L1427-S1431 VanDerWaalsContact O-CB 3.22Å; L1427-S1431 WeakPolarHBondContact O-CB 3.46Å; L1427-S1431 PolarHBondContact O-N 3.08Å; L1427-S1431 PolarHBondContact O-OG 3.09Å; M1428-S1431 PolarHBondContact O-N 3.34Å; L1429-S1431 VanDerWaalsContact C-N 3.27Å; L1429-S1431 PolarHBondContact O-N 3.1Å |
| 1432 | M | 94.3 | Very high | 94.4 | Very high | 43 Ų | 43 | 23.3 Ų | 23.3 | 21% | 0.212 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.1 | -40.1 | 176.6 | -174 | 179.1 | 69.7 | 0 | 0 | 111.4 | M1428 L1429 L1463 Q1467 | M1428-M1432 VanDerWaalsContact O-CB 3.27Å; M1428-M1432 WeakPolarHBondContact O-CB 3.3Å; M1428-M1432 PolarHBondContact O-N 3.25Å; L1429-M1432 PolarHBondContact O-N 2.96Å; M1432-L1463 HydrophobicContact CB-CB 4.32Å; M1432-Q1467 HydrophobicContact CG-CG 3.84Å |
| 1433 | N | 94 | Very high | 95.4 | Very high | 43 Ų | 43 | 22.5 Ų | 22.5 | 23% | 0.23 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -82.9 | -13.8 | -176 | -66.2 | -1.8 | 0 | 0 | 0 | 113.4 | S1397 L1429 R1469 | S1397-N1433 PolarHBondContact O-ND2 3.41Å; S1397-N1433 PolarHBondContact OG-ND2 3.24Å; L1429-N1433 WeakPolarHBondContact O-CB 3.15Å; L1429-N1433 PolarHBondContact O-N 3.4Å; N1433-R1469 PolarHBondContact O-NH2 2.79Å |
| 1434 | G | 95.5 | Very high | 96 | Very high | 19 Ų | 19 | 27.1 Ų | 27.1 | 20% | 0.196 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | 12.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1430 T1436 | A1430-G1434 PolarHBondContact O-N 3.47Å; A1430-G1434 VanDerWaalsContact O-N 3.14Å; G1434-T1436 VanDerWaalsContact C-N 3.28Å; G1434-T1436 PolarHBondContact O-N 3.21Å; G1434-T1436 PolarHBondContact O-OG1 2.94Å |
| 1435 | H | 97.1 | Very high | 96.2 | Very high | 78 Ų | 78 | 30.6 Ų | 30.6 | 36% | 0.361 | 16% | 0.155 | S | C | . | . | trans | -79.5 | 68.5 | -171.6 | -61.3 | -49.8 | 0 | 0 | 0 | 112.5 | S1397 G1398 G1399 A1430 V1437 A1438 V1439 | S1397-H1435 PolarHBondContact O-CD2 3.01Å; S1397-H1435 PolarHBondContact O-NE2 3.28Å; G1398-H1435 WeakPolarHBondContact CA-NE2 3.3Å; G1398-H1435 PolarHBondContact O-NE2 2.89Å; G1399-H1435 VanDerWaalsContact CA-CD2 3.43Å; G1399-H1435 WeakPolarHBondContact CA-CD2 3.48Å; G1399-H1435 VanDerWaalsContact CA-CG 3.47Å; G1399-H1435 PolarHBondContact N-CD2 3.33Å; G1399-H1435 PolarHBondContact N-NE2 3.25Å; A1430-H1435 HydrophobicContact CB-CB 4.34Å; A1430-H1435 PolarHBondContact O-N 3.18Å; H1435-V1437 PolarHBondContact O-N 3.42Å; H1435-V1437 VanDerWaalsContact O-N 3.08Å; H1435-A1438 HydrophobicContact CB-CB 3.89Å; H1435-A1438 WeakPolarHBondContact O-CA 3.41Å; H1435-A1438 WeakPolarHBondContact O-CB 3.06Å; H1435-A1438 PolarHBondContact O-N 3.38Å; H1435-V1439 WeakPolarHBondContact O-CG2 3.27Å; H1435-V1439 PolarHBondContact O-N 2.76Å | ||
| 1436 | T | 96.8 | Very high | 96.1 | Very high | 28 Ų | 28 | 32.9 Ų | 32.9 | 17% | 0.172 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -50.8 | -36.3 | -172.5 | -55.8 | 0 | 0 | 0 | 0 | 114.3 | G1434 R1440 E1471 V1472 L1475 | G1434-T1436 VanDerWaalsContact C-N 3.28Å; G1434-T1436 PolarHBondContact O-N 3.21Å; G1434-T1436 PolarHBondContact O-OG1 2.94Å; T1436-R1440 WeakPolarHBondContact O-CB 3.32Å; T1436-R1440 PolarHBondContact O-N 2.82Å; T1436-E1471 HydrophobicContact CG2-CB 4.12Å; T1436-V1472 WeakPolarHBondContact OG1-CG2 3.19Å; T1436-L1475 HydrophobicContact CG2-CD2 3.94Å; T1436-L1475 WeakPolarHBondContact O-CD2 3.19Å |
| 1437 | V | 97 | Very high | 96.2 | Very high | 88 Ų | 88 | 33.3 Ų | 33.3 | 53% | 0.533 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -73 | -40.4 | 177.1 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | V1401 H1435 R1440 L1441 | V1401-V1437 HydrophobicContact CB-CG1 4.5Å; V1401-V1437 HydrophobicContact CG1-CG1 3.93Å; V1401-V1437 HydrophobicContact CG2-CB 3.89Å; V1401-V1437 HydrophobicContact CG2-CG1 3.72Å; H1435-V1437 PolarHBondContact O-N 3.42Å; H1435-V1437 VanDerWaalsContact O-N 3.08Å; V1437-R1440 WeakPolarHBondContact O-CB 3.16Å; V1437-R1440 PolarHBondContact O-N 3.01Å; V1437-L1441 WeakPolarHBondContact O-CB 3.14Å; V1437-L1441 PolarHBondContact O-N 2.89Å |
| 1438 | A | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1404 A1430 H1435 R1440 L1441 L1442 | I1404-A1438 HydrophobicContact CD1-CB 3.6Å; A1430-A1438 HydrophobicContact CB-CB 4.16Å; H1435-A1438 HydrophobicContact CB-CB 3.89Å; H1435-A1438 WeakPolarHBondContact O-CA 3.41Å; H1435-A1438 WeakPolarHBondContact O-CB 3.06Å; H1435-A1438 PolarHBondContact O-N 3.38Å; A1438-R1440 VanDerWaalsContact C-N 3.35Å; A1438-R1440 PolarHBondContact O-N 2.95Å; A1438-L1441 PolarHBondContact O-N 3.35Å; A1438-L1442 WeakPolarHBondContact O-CB 3.41Å; A1438-L1442 VanDerWaalsContact O-CG 3.27Å; A1438-L1442 WeakPolarHBondContact O-CG 3.48Å; A1438-L1442 PolarHBondContact O-N 3.01Å |
| 1439 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.2 | -46.7 | 171.8 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L1427 A1430 H1435 L1442 L1443 V1472 L1475 L1476 | L1427-V1439 HydrophobicContact CD1-CB 4.43Å; L1427-V1439 HydrophobicContact CD1-CG1 3.91Å; A1430-V1439 HydrophobicContact CB-CG2 3.73Å; H1435-V1439 WeakPolarHBondContact O-CG2 3.27Å; H1435-V1439 PolarHBondContact O-N 2.76Å; V1439-L1442 PolarHBondContact O-N 3.15Å; V1439-L1443 HydrophobicContact CG1-CD1 3.87Å; V1439-L1443 WeakPolarHBondContact O-CB 3.37Å; V1439-L1443 VanDerWaalsContact O-CG 3.25Å; V1439-L1443 WeakPolarHBondContact O-CG 3.44Å; V1439-L1443 PolarHBondContact O-N 3.21Å; V1439-V1472 HydrophobicContact CG1-CG1 4.48Å; V1439-V1472 HydrophobicContact CG2-CG1 4.26Å; V1439-V1472 HydrophobicContact CG2-CG2 4.38Å; V1439-L1475 HydrophobicContact CB-CD2 4.15Å; V1439-L1475 HydrophobicContact CG1-CD2 3.77Å; V1439-L1475 HydrophobicContact CG1-CG 4.41Å; V1439-L1476 HydrophobicContact CG1-CD2 4.3Å; V1439-L1476 HydrophobicContact CG1-CG 4.49Å |
| 1440 | R | 97.7 | Very high | 96 | Very high | 97 Ų | 97 | 41 Ų | 41 | 37% | 0.366 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.4 | -50.4 | 176.8 | -171 | -179.5 | -57.4 | -83.2 | -4.7 | 111.6 | T1436 V1437 A1438 L1442 L1443 E1444 L1475 | T1436-R1440 WeakPolarHBondContact O-CB 3.32Å; T1436-R1440 PolarHBondContact O-N 2.82Å; V1437-R1440 WeakPolarHBondContact O-CB 3.16Å; V1437-R1440 PolarHBondContact O-N 3.01Å; A1438-R1440 VanDerWaalsContact C-N 3.35Å; A1438-R1440 PolarHBondContact O-N 2.95Å; R1440-L1442 PolarHBondContact O-N 3.04Å; R1440-L1443 PolarHBondContact O-N 3.08Å; R1440-E1444 WeakPolarHBondContact CG-OE1 3.25Å; R1440-E1444 WeakPolarHBondContact O-CB 3.47Å; R1440-E1444 WeakPolarHBondContact O-CG 3.43Å; R1440-E1444 PolarHBondContact O-N 2.91Å; R1440-L1475 HydrophobicContact CB-CD2 3.82Å |
| 1441 | L | 97 | Very high | 95.8 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | -180 | -172.8 | 72.4 | 0 | 0 | 0 | 112 | V1401 I1404 Q1405 V1437 A1438 E1444 H1445 | V1401-L1441 HydrophobicContact CG1-CD2 3.91Å; V1401-L1441 WeakPolarHBondContact O-CD2 3.36Å; I1404-L1441 HydrophobicContact CB-CD2 4Å; I1404-L1441 HydrophobicContact CG2-CD2 3.67Å; Q1405-L1441 HydrophobicContact CB-CD2 4Å; Q1405-L1441 HydrophobicContact CG-CD1 4.45Å; V1437-L1441 WeakPolarHBondContact O-CB 3.14Å; V1437-L1441 PolarHBondContact O-N 2.89Å; A1438-L1441 PolarHBondContact O-N 3.35Å; L1441-E1444 PolarHBondContact O-N 3.01Å; L1441-H1445 VanDerWaalsContact CD1-CE1 3.43Å; L1441-H1445 WeakPolarHBondContact CD1-CE1 3.46Å; L1441-H1445 PolarHBondContact O-N 2.96Å; L1441-H1445 PolarHBondContact O-ND1 3.24Å |
| 1442 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.4 | -37.4 | 179.3 | -71.7 | 166.8 | 0 | 0 | 0 | 112.4 | A1396 I1404 L1408 I1414 P1426 L1427 A1430 A1438 V1439 R1440 G1446 S1447 | A1396-L1442 HydrophobicContact CB-CD1 4.07Å; I1404-L1442 HydrophobicContact CG2-CD2 3.98Å; I1404-L1442 HydrophobicContact CG2-CG 4.32Å; L1408-L1442 HydrophobicContact CD1-CD2 4.41Å; I1414-L1442 HydrophobicContact CD1-CD2 4.34Å; I1414-L1442 WeakPolarHBondContact CD1-O 3.4Å; I1414-L1442 HydrophobicContact CG1-CD2 4Å; P1426-L1442 HydrophobicContact CB-CD1 4.12Å; P1426-L1442 HydrophobicContact CB-CD2 4.26Å; L1427-L1442 HydrophobicContact CD1-CB 4.24Å; A1430-L1442 HydrophobicContact CB-CD1 4.15Å; A1438-L1442 WeakPolarHBondContact O-CB 3.41Å; A1438-L1442 VanDerWaalsContact O-CG 3.27Å; A1438-L1442 WeakPolarHBondContact O-CG 3.48Å; A1438-L1442 PolarHBondContact O-N 3.01Å; V1439-L1442 PolarHBondContact O-N 3.15Å; R1440-L1442 PolarHBondContact O-N 3.04Å; L1442-G1446 PolarHBondContact O-N 3.24Å; L1442-S1447 WeakPolarHBondContact O-CB 3.45Å; L1442-S1447 PolarHBondContact O-N 3.03Å |
| 1443 | L | 96.5 | Very high | 95.4 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 12% | 0.12 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.9 | -36.6 | 173.6 | -69.7 | 170.8 | 0 | 0 | 0 | 112.1 | L1427 V1439 R1440 H1445 G1446 I1449 L1475 L1476 R1479 | L1427-L1443 HydrophobicContact CD1-CD2 4.04Å; L1427-L1443 HydrophobicContact CD1-CG 3.92Å; L1427-L1443 HydrophobicContact CD2-CD2 3.73Å; V1439-L1443 HydrophobicContact CG1-CD1 3.87Å; V1439-L1443 WeakPolarHBondContact O-CB 3.37Å; V1439-L1443 VanDerWaalsContact O-CG 3.25Å; V1439-L1443 WeakPolarHBondContact O-CG 3.44Å; V1439-L1443 PolarHBondContact O-N 3.21Å; R1440-L1443 PolarHBondContact O-N 3.08Å; L1443-H1445 VanDerWaalsContact C-N 3.35Å; L1443-G1446 PolarHBondContact O-N 3.35Å; L1443-I1449 HydrophobicContact CD1-CD1 4.37Å; L1443-I1449 HydrophobicContact CD2-CB 3.72Å; L1443-I1449 HydrophobicContact CD2-CD1 3.87Å; L1443-I1449 HydrophobicContact CD2-CG1 3.78Å; L1443-L1475 HydrophobicContact CD1-CG 4.43Å; L1443-L1476 HydrophobicContact CD1-CD2 4.07Å; L1443-R1479 HydrophobicContact CD1-CB 4.24Å; L1443-R1479 HydrophobicContact CD1-CG 4.12Å |
| 1444 | E | 94.9 | Very high | 94.9 | Very high | 106 Ų | 106 | 47.1 Ų | 47.1 | 50% | 0.495 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -72.9 | -26.6 | 179.4 | -74.5 | 167.5 | -179.2 | 0 | 0 | 113.1 | R1440 L1441 G1446 R1479 | R1440-E1444 WeakPolarHBondContact CG-OE1 3.25Å; R1440-E1444 WeakPolarHBondContact O-CB 3.47Å; R1440-E1444 WeakPolarHBondContact O-CG 3.43Å; R1440-E1444 PolarHBondContact O-N 2.91Å; L1441-E1444 PolarHBondContact O-N 3.01Å; E1444-G1446 VanDerWaalsContact C-N 3.35Å; E1444-R1479 IonicContact OE1-CZ 3.88Å; E1444-R1479 IonicContact OE1-NH1 3.56Å; E1444-R1479 PolarHBondContact OE1-NH1 2.9Å; E1444-R1479 IonicContact OE1-NH2 3.9Å; E1444-R1479 PolarHBondContact OE1-NH2 3.14Å |
| 1445 | H | 94.8 | Very high | 94.4 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 42% | 0.421 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 4.9 | 171.6 | -67.1 | 72.1 | 0 | 0 | 0 | 113.4 | L1408 I1414 L1441 L1443 | L1408-H1445 HydrophobicContact CD1-CB 4.04Å; I1414-H1445 VanDerWaalsContact CD1-C 3.46Å; I1414-H1445 HydrophobicContact CD1-CB 3.38Å; I1414-H1445 WeakPolarHBondContact CD1-O 3.35Å; L1441-H1445 VanDerWaalsContact CD1-CE1 3.43Å; L1441-H1445 WeakPolarHBondContact CD1-CE1 3.46Å; L1441-H1445 PolarHBondContact O-N 2.96Å; L1441-H1445 PolarHBondContact O-ND1 3.24Å; L1443-H1445 VanDerWaalsContact C-N 3.35Å |
| 1446 | G | 93.9 | Very high | 93.9 | Very high | 50 Ų | 50 | 46.4 Ų | 46.4 | 52% | 0.515 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 28.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | L1442 L1443 E1444 | L1442-G1446 PolarHBondContact O-N 3.24Å; L1443-G1446 PolarHBondContact O-N 3.35Å; E1444-G1446 VanDerWaalsContact C-N 3.35Å |
| 1447 | S | 95.8 | Very high | 93.7 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | trans | -67.1 | 142.1 | 170.8 | -166.9 | 0 | 0 | 0 | 0 | 112 | N1415 L1427 L1442 I1449 | N1415-S1447 WeakPolarHBondContact OD1-CA 3.19Å; N1415-S1447 PolarHBondContact OD1-OG 2.79Å; L1427-S1447 WeakPolarHBondContact CB-OG 3.47Å; L1442-S1447 WeakPolarHBondContact O-CB 3.45Å; L1442-S1447 PolarHBondContact O-N 3.03Å; S1447-I1449 PolarHBondContact O-N 3.4Å; S1447-I1449 VanDerWaalsContact O-N 3.08Å | ||
| 1448 | D | 94.6 | Very high | 93.5 | Very high | 78 Ų | 78 | 47.4 Ų | 47.4 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | trans | -73.2 | 101.3 | -178.4 | 176.3 | 13.5 | 0 | 0 | 0 | 111.8 | N1415 N1450 A1451 | N1415-D1448 PolarHBondContact OD1-N 2.81Å; D1448-N1450 PolarHBondContact O-N 3.01Å; D1448-N1450 PolarHBondContact OD1-N 3.46Å; D1448-A1451 HydrophobicContact CB-CB 3.98Å; D1448-A1451 VanDerWaalsContact CG-N 3.29Å; D1448-A1451 VanDerWaalsContact O-CB 3.27Å; D1448-A1451 WeakPolarHBondContact O-CB 3.45Å; D1448-A1451 PolarHBondContact O-N 2.86Å; D1448-A1451 VanDerWaalsContact O-N 3.15Å; D1448-A1451 PolarHBondContact OD1-N 3.08Å; D1448-A1451 WeakPolarHBondContact OD2-CA 3.46Å; D1448-A1451 WeakPolarHBondContact OD2-CB 3.39Å; D1448-A1451 PolarHBondContact OD2-N 3.07Å | ||
| 1449 | I | 95.4 | Very high | 93.4 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.2 | 178.8 | -163 | 171.4 | 0 | 0 | 0 | 114.3 | L1443 S1447 L1476 R1479 A1481 | L1443-I1449 HydrophobicContact CD1-CD1 4.37Å; L1443-I1449 HydrophobicContact CD2-CB 3.72Å; L1443-I1449 HydrophobicContact CD2-CD1 3.87Å; L1443-I1449 HydrophobicContact CD2-CG1 3.78Å; S1447-I1449 PolarHBondContact O-N 3.4Å; S1447-I1449 VanDerWaalsContact O-N 3.08Å; I1449-L1476 HydrophobicContact CD1-CD2 3.91Å; I1449-L1476 HydrophobicContact CG1-CD2 3.7Å; I1449-R1479 HydrophobicContact CD1-CB 3.64Å; I1449-R1479 WeakPolarHBondContact CD1-O 3.34Å; I1449-A1481 HydrophobicContact CD1-CB 3.88Å; I1449-A1481 HydrophobicContact CG1-CB 3.91Å |
| 1450 | N | 93.9 | Very high | 93.3 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 35% | 0.353 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 8.1 | -179.6 | -70.2 | -60.2 | 0 | 0 | 0 | 112.9 | D1448 N1482 | D1448-N1450 PolarHBondContact O-N 3.01Å; D1448-N1450 PolarHBondContact OD1-N 3.46Å; N1450-N1482 VanDerWaalsContact OD1-CB 3.32Å; N1450-N1482 WeakPolarHBondContact OD1-CB 3.19Å; N1450-N1482 PolarHBondContact OD1-N 3.29Å |
| 1451 | A | 93.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | trans | -55.4 | 140.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | M1428 D1448 T1459 | M1428-A1451 HydrophobicContact CE-CB 3.89Å; M1428-A1451 WeakPolarHBondContact CE-O 3.4Å; D1448-A1451 HydrophobicContact CB-CB 3.98Å; D1448-A1451 VanDerWaalsContact CG-N 3.29Å; D1448-A1451 VanDerWaalsContact O-CB 3.27Å; D1448-A1451 WeakPolarHBondContact O-CB 3.45Å; D1448-A1451 PolarHBondContact O-N 2.86Å; D1448-A1451 VanDerWaalsContact O-N 3.15Å; D1448-A1451 PolarHBondContact OD1-N 3.08Å; D1448-A1451 WeakPolarHBondContact OD2-CA 3.46Å; D1448-A1451 WeakPolarHBondContact OD2-CB 3.39Å; D1448-A1451 PolarHBondContact OD2-N 3.07Å; A1451-T1459 WeakPolarHBondContact O-CA 3.49Å; A1451-T1459 WeakPolarHBondContact O-CG2 3.33Å | ||
| 1452 | H | 91.1 | Very high | 93.1 | Very high | 58 Ų | 58 | 42 Ų | 42 | 27% | 0.269 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -126.4 | 148.7 | 175.9 | 69.5 | 62.5 | 0 | 0 | 0 | 113.4 | R1417 N1458 T1459 | R1417-H1452 PolarHBondContact NH1-O 3.28Å; H1452-N1458 CarbonylContact C-O 3.58Å; H1452-N1458 VanDerWaalsContact CA-O 3.23Å; H1452-N1458 WeakPolarHBondContact CA-O 3.36Å; H1452-T1459 HydrophobicContact CB-CG2 3.96Å |
| 1453 | I | 90.5 | Very high | 93 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -58.9 | 137.6 | 165.6 | -71 | 175 | 0 | 0 | 0 | 108.8 | L1422 I1424 M1428 T1455 N1456 R1457 N1458 L1463 | L1422-I1453 HydrophobicContact CB-CG2 4.33Å; L1422-I1453 HydrophobicContact CD2-CG2 4.45Å; L1422-I1453 WeakPolarHBondContact O-CA 3.38Å; L1422-I1453 VanDerWaalsContact O-CG2 3.3Å; L1422-I1453 WeakPolarHBondContact O-CG2 3.46Å; I1424-I1453 HydrophobicContact CD1-CD1 4.46Å; I1424-I1453 HydrophobicContact CG1-CD1 4.05Å; I1424-I1453 HydrophobicContact CG1-CG1 4.26Å; M1428-I1453 HydrophobicContact CE-CG1 4.38Å; M1428-I1453 HydrophobicContact SD-CD1 4.39Å; M1428-I1453 HydrophobicContact SD-CG1 3.79Å; I1453-T1455 WeakPolarHBondContact CG2-OG1 3.23Å; I1453-N1456 VanDerWaalsContact CB-OD1 3.28Å; I1453-N1456 WeakPolarHBondContact CB-OD1 3.27Å; I1453-N1456 WeakPolarHBondContact CG2-OD1 3.42Å; I1453-R1457 WeakPolarHBondContact O-CA 3.27Å; I1453-R1457 PolarHBondContact O-N 2.98Å; I1453-N1458 HydrophobicContact CD1-CB 4.49Å; I1453-N1458 PolarHBondContact N-O 2.93Å; I1453-L1463 HydrophobicContact CD1-CD1 4.2Å | ||
| 1454 | E | 84 | Confident | 93 | Very high | 148 Ų | 148 | 41.3 Ų | 41.3 | 69% | 0.692 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -38.4 | -173.2 | -64 | -167.7 | 174.8 | 0 | 0 | 113.1 | ||
| 1455 | T | 85 | Confident | 93.1 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 34% | 0.337 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -36.4 | -173.4 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | K1421 L1422 I1453 K1488 | K1421-T1455 WeakPolarHBondContact O-CG2 3.35Å; L1422-T1455 HydrophobicContact CD2-CG2 4.48Å; L1422-T1455 VanDerWaalsContact CD2-OG1 3.32Å; L1422-T1455 WeakPolarHBondContact CD2-OG1 3.48Å; I1453-T1455 WeakPolarHBondContact CG2-OG1 3.23Å; T1455-K1488 WeakPolarHBondContact O-CD 3.32Å; T1455-K1488 PolarHBondContact O-NZ 3.12Å |
| 1456 | N | 87.6 | Confident | 93 | Very high | 27 Ų | 27 | 37.1 Ų | 37.1 | 14% | 0.144 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -6.6 | -176.6 | 70.2 | 9.6 | 0 | 0 | 0 | 114.3 | I1453 N1458 K1488 | I1453-N1456 VanDerWaalsContact CB-OD1 3.28Å; I1453-N1456 WeakPolarHBondContact CB-OD1 3.27Å; I1453-N1456 WeakPolarHBondContact CG2-OD1 3.42Å; N1456-N1458 VanDerWaalsContact C-N 3.25Å; N1456-N1458 PolarHBondContact O-N 2.91Å; N1456-N1458 PolarHBondContact O-OD1 3.44Å; N1456-N1458 WeakPolarHBondContact OD1-CB 3.23Å; N1456-N1458 PolarHBondContact OD1-N 3.3Å; N1456-N1458 PolarHBondContact OD1-OD1 2.72Å; N1456-K1488 WeakPolarHBondContact O-CB 3.25Å; N1456-K1488 PolarHBondContact O-N 2.68Å |
| 1457 | R | 91.6 | Very high | 93 | Very high | 118 Ų | 118 | 38.4 Ų | 38.4 | 45% | 0.445 | 19% | 0.186 | S | C | . | . | trans | 61.6 | 21.6 | -176.9 | -50.1 | -169.5 | 74.4 | -157.3 | 2.3 | 115.4 | I1453 H1485 K1488 | I1453-R1457 WeakPolarHBondContact O-CA 3.27Å; I1453-R1457 PolarHBondContact O-N 2.98Å; R1457-H1485 PolarHBondContact O-NE2 3.39Å; R1457-K1488 HydrophobicContact CG-CB 4.37Å | ||
| 1458 | N | 92.5 | Very high | 92.9 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | trans | -73.3 | 133.9 | 174.7 | -69.2 | 24.4 | 0 | 0 | 0 | 110.8 | H1452 I1453 N1456 T1462 L1463 A1487 | H1452-N1458 CarbonylContact C-O 3.58Å; H1452-N1458 VanDerWaalsContact CA-O 3.23Å; H1452-N1458 WeakPolarHBondContact CA-O 3.36Å; I1453-N1458 HydrophobicContact CD1-CB 4.49Å; I1453-N1458 PolarHBondContact N-O 2.93Å; N1456-N1458 VanDerWaalsContact C-N 3.25Å; N1456-N1458 PolarHBondContact O-N 2.91Å; N1456-N1458 PolarHBondContact O-OD1 3.44Å; N1456-N1458 WeakPolarHBondContact OD1-CB 3.23Å; N1456-N1458 PolarHBondContact OD1-N 3.3Å; N1456-N1458 PolarHBondContact OD1-OD1 2.72Å; N1458-T1462 VanDerWaalsContact CA-OG1 3.25Å; N1458-T1462 WeakPolarHBondContact CA-OG1 3.44Å; N1458-T1462 WeakPolarHBondContact CB-OG1 3.49Å; N1458-L1463 HydrophobicContact CB-CD2 3.98Å; N1458-L1463 HydrophobicContact CB-CG 4.23Å; N1458-A1487 WeakPolarHBondContact OD1-CB 3.19Å | ||
| 1459 | T | 95.4 | Very high | 93 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -96.3 | 169.2 | 168.8 | 59 | 0 | 0 | 0 | 0 | 111 | A1451 H1452 L1461 T1462 L1463 | A1451-T1459 WeakPolarHBondContact O-CA 3.49Å; A1451-T1459 WeakPolarHBondContact O-CG2 3.33Å; H1452-T1459 HydrophobicContact CB-CG2 3.96Å; T1459-L1461 PolarHBondContact O-N 2.85Å; T1459-T1462 PolarHBondContact N-OG1 2.76Å; T1459-T1462 PolarHBondContact O-N 2.97Å; T1459-T1462 VanDerWaalsContact O-N 3.08Å; T1459-T1462 PolarHBondContact O-OG1 3.29Å; T1459-T1462 PolarHBondContact OG1-N 2.74Å; T1459-L1463 WeakPolarHBondContact O-CG 3.4Å; T1459-L1463 PolarHBondContact O-N 3.27Å |
| 1460 | A | 96.3 | Very high | 93 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -48.1 | -44.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1427 M1428 L1463 A1464 L1476 | L1427-A1460 HydrophobicContact CD2-CB 4.41Å; L1427-A1460 HydrophobicContact CG-CB 4.21Å; M1428-A1460 HydrophobicContact CG-CB 4.48Å; A1460-L1463 PolarHBondContact O-N 3.23Å; A1460-A1464 WeakPolarHBondContact O-CB 3.42Å; A1460-A1464 PolarHBondContact O-N 3.33Å; A1460-L1476 HydrophobicContact CB-CD1 4.18Å; A1460-L1476 HydrophobicContact CB-CD2 4.34Å |
| 1461 | L | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 177.3 | -178.6 | 65.1 | 0 | 0 | 0 | 112.4 | T1459 L1463 A1464 C1465 V1473 L1476 V1477 A1481 P1493 | T1459-L1461 PolarHBondContact O-N 2.85Å; L1461-L1463 VanDerWaalsContact C-N 3.28Å; L1461-L1463 PolarHBondContact O-N 2.77Å; L1461-A1464 PolarHBondContact O-N 3.38Å; L1461-C1465 PolarHBondContact O-N 3.13Å; L1461-C1465 PolarHBondContact O-SG 2.96Å; L1461-V1473 HydrophobicContact CD1-CB 4.45Å; L1461-V1473 HydrophobicContact CD1-CG1 4.02Å; L1461-V1473 HydrophobicContact CD1-CG2 4.38Å; L1461-L1476 HydrophobicContact CB-CD1 4.29Å; L1461-L1476 HydrophobicContact CD1-CB 4.06Å; L1461-L1476 HydrophobicContact CD1-CD1 4.41Å; L1461-V1477 HydrophobicContact CD1-CG1 4Å; L1461-V1477 HydrophobicContact CD2-CG1 4.33Å; L1461-A1481 HydrophobicContact CB-CB 4.09Å; L1461-A1481 HydrophobicContact CD2-CB 3.94Å; L1461-A1481 HydrophobicContact CG-CB 4.47Å; L1461-P1493 HydrophobicContact CD2-CB 4.36Å; L1461-P1493 HydrophobicContact CD2-CG 3.89Å; L1461-P1493 HydrophobicContact CG-CB 4.35Å; L1461-P1493 HydrophobicContact CG-CG 4.09Å |
| 1462 | T | 94.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -32.1 | 178.3 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | N1458 T1459 F1466 P1493 | N1458-T1462 VanDerWaalsContact CA-OG1 3.25Å; N1458-T1462 WeakPolarHBondContact CA-OG1 3.44Å; N1458-T1462 WeakPolarHBondContact CB-OG1 3.49Å; T1459-T1462 PolarHBondContact N-OG1 2.76Å; T1459-T1462 PolarHBondContact O-N 2.97Å; T1459-T1462 VanDerWaalsContact O-N 3.08Å; T1459-T1462 PolarHBondContact O-OG1 3.29Å; T1459-T1462 PolarHBondContact OG1-N 2.74Å; T1462-F1466 VanDerWaalsContact O-CB 3.23Å; T1462-F1466 WeakPolarHBondContact O-CB 3.47Å; T1462-F1466 PolarHBondContact O-N 3.08Å; T1462-P1493 HydrophobicContact CG2-CG 3.92Å |
| 1463 | L | 94 | Very high | 93.7 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.1 | -42.8 | 176 | -63.2 | 172.7 | 0 | 0 | 0 | 111.4 | M1428 M1432 I1453 N1458 T1459 A1460 L1461 F1466 Q1467 | M1428-L1463 HydrophobicContact CB-CD1 3.88Å; M1428-L1463 HydrophobicContact CG-CD1 4.2Å; M1432-L1463 HydrophobicContact CB-CB 4.32Å; I1453-L1463 HydrophobicContact CD1-CD1 4.2Å; N1458-L1463 HydrophobicContact CB-CD2 3.98Å; N1458-L1463 HydrophobicContact CB-CG 4.23Å; T1459-L1463 WeakPolarHBondContact O-CG 3.4Å; T1459-L1463 PolarHBondContact O-N 3.27Å; A1460-L1463 PolarHBondContact O-N 3.23Å; L1461-L1463 VanDerWaalsContact C-N 3.28Å; L1461-L1463 PolarHBondContact O-N 2.77Å; L1463-F1466 PolarHBondContact O-N 3.14Å; L1463-Q1467 WeakPolarHBondContact O-CB 3.43Å; L1463-Q1467 WeakPolarHBondContact O-CG 3.25Å; L1463-Q1467 PolarHBondContact O-N 2.98Å |
| 1464 | A | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A1460 L1461 Q1467 G1468 R1469 V1472 V1473 L1476 | A1460-A1464 WeakPolarHBondContact O-CB 3.42Å; A1460-A1464 PolarHBondContact O-N 3.33Å; L1461-A1464 PolarHBondContact O-N 3.38Å; A1464-Q1467 CarbonylContact O-C 3.59Å; A1464-Q1467 PolarHBondContact O-N 3.31Å; A1464-G1468 PolarHBondContact O-N 2.99Å; A1464-R1469 HydrophobicContact CB-CB 4.35Å; A1464-R1469 PolarHBondContact O-N 3.43Å; A1464-V1472 HydrophobicContact CB-CB 4.24Å; A1464-V1472 HydrophobicContact CB-CG1 3.6Å; A1464-V1473 HydrophobicContact CB-CG2 3.7Å; A1464-L1476 HydrophobicContact CB-CD1 4.21Å |
| 1465 | C | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.2 | -37.1 | 175.6 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | L1461 Q1467 G1468 V1473 P1493 Y1502 V1505 | L1461-C1465 PolarHBondContact O-N 3.13Å; L1461-C1465 PolarHBondContact O-SG 2.96Å; C1465-Q1467 VanDerWaalsContact C-N 3.28Å; C1465-Q1467 PolarHBondContact O-N 3.41Å; C1465-G1468 PolarHBondContact O-N 3.02Å; C1465-V1473 HydrophobicContact CB-CG2 4.47Å; C1465-V1473 WeakPolarHBondContact SG-CG2 3.35Å; C1465-P1493 HydrophobicContact CB-CB 4.41Å; C1465-Y1502 VanDerWaalsContact O-CD2 3.26Å; C1465-Y1502 WeakPolarHBondContact O-CD2 3.13Å; C1465-V1505 HydrophobicContact CB-CG1 3.97Å |
| 1466 | F | 92.2 | Very high | 95.3 | Very high | 109 Ų | 109 | 34.4 Ų | 34.4 | 48% | 0.478 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68.3 | -26.9 | 176 | 178.9 | -93.2 | 0 | 0 | 0 | 112.8 | T1462 L1463 Y1502 | T1462-F1466 VanDerWaalsContact O-CB 3.23Å; T1462-F1466 WeakPolarHBondContact O-CB 3.47Å; T1462-F1466 PolarHBondContact O-N 3.08Å; L1463-F1466 PolarHBondContact O-N 3.14Å; F1466-Y1502 WeakPolarHBondContact O-CE2 3.33Å |
| 1467 | Q | 94.2 | Very high | 95.7 | Very high | 77 Ų | 77 | 33.5 Ų | 33.5 | 36% | 0.36 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 8.2 | 177.4 | -61.7 | -71.7 | 14.3 | 0 | 0 | 113.7 | M1432 L1463 A1464 C1465 R1469 | M1432-Q1467 HydrophobicContact CG-CG 3.84Å; L1463-Q1467 WeakPolarHBondContact O-CB 3.43Å; L1463-Q1467 WeakPolarHBondContact O-CG 3.25Å; L1463-Q1467 PolarHBondContact O-N 2.98Å; A1464-Q1467 CarbonylContact O-C 3.59Å; A1464-Q1467 PolarHBondContact O-N 3.31Å; C1465-Q1467 VanDerWaalsContact C-N 3.28Å; C1465-Q1467 PolarHBondContact O-N 3.41Å; Q1467-R1469 VanDerWaalsContact C-N 3.3Å; Q1467-R1469 HydrophobicContact CB-CG 3.97Å; Q1467-R1469 PolarHBondContact O-N 3.02Å |
| 1468 | G | 94.5 | Very high | 95.9 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 19% | 0.186 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 15.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | A1464 C1465 Y1470 | A1464-G1468 PolarHBondContact O-N 2.99Å; C1465-G1468 PolarHBondContact O-N 3.02Å; G1468-Y1470 PolarHBondContact O-N 3Å |
| 1469 | R | 96.7 | Very high | 96.1 | Very high | 87 Ų | 87 | 35.4 Ų | 35.4 | 33% | 0.328 | 16% | 0.158 | S | C | . | . | trans | -78.2 | 77.5 | -171.3 | -56.1 | -54.3 | -171.8 | 178.8 | 0.2 | 112.4 | N1433 A1464 Q1467 E1471 V1472 V1473 | N1433-R1469 PolarHBondContact O-NH2 2.79Å; A1464-R1469 HydrophobicContact CB-CB 4.35Å; A1464-R1469 PolarHBondContact O-N 3.43Å; Q1467-R1469 VanDerWaalsContact C-N 3.3Å; Q1467-R1469 HydrophobicContact CB-CG 3.97Å; Q1467-R1469 PolarHBondContact O-N 3.02Å; R1469-E1471 PolarHBondContact O-N 3.27Å; R1469-V1472 HydrophobicContact CB-CB 3.97Å; R1469-V1472 HydrophobicContact CB-CG2 4.19Å; R1469-V1472 WeakPolarHBondContact O-CB 3.49Å; R1469-V1472 PolarHBondContact O-N 2.98Å; R1469-V1473 WeakPolarHBondContact O-CG2 3.39Å; R1469-V1473 PolarHBondContact O-N 3.02Å | ||
| 1470 | Y | 95.4 | Very high | 96 | Very high | 109 Ų | 109 | 43.9 Ų | 43.9 | 43% | 0.427 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.7 | -36.4 | -166.1 | 76.2 | -78.4 | 0 | 0 | 0 | 114.7 | G1468 V1473 Q1474 I1508 | G1468-Y1470 PolarHBondContact O-N 3Å; Y1470-V1473 PolarHBondContact O-N 3.2Å; Y1470-Q1474 WeakPolarHBondContact O-CB 3.43Å; Y1470-Q1474 PolarHBondContact O-N 3.02Å; Y1470-I1508 HydrophobicContact CD2-CD1 4.12Å |
| 1471 | E | 96.8 | Very high | 96 | Very high | 70 Ų | 70 | 44.1 Ų | 44.1 | 33% | 0.327 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.6 | -37.4 | 176.4 | -46.9 | 89.7 | 152.6 | 0 | 0 | 111.9 | T1436 R1469 Q1474 L1475 | T1436-E1471 HydrophobicContact CG2-CB 4.12Å; R1469-E1471 PolarHBondContact O-N 3.27Å; E1471-Q1474 PolarHBondContact O-N 3.35Å; E1471-L1475 WeakPolarHBondContact O-CB 3.25Å; E1471-L1475 PolarHBondContact O-N 3.48Å |
| 1472 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 172.3 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | T1436 V1439 A1464 R1469 L1475 L1476 | T1436-V1472 WeakPolarHBondContact OG1-CG2 3.19Å; V1439-V1472 HydrophobicContact CG1-CG1 4.48Å; V1439-V1472 HydrophobicContact CG2-CG1 4.26Å; V1439-V1472 HydrophobicContact CG2-CG2 4.38Å; A1464-V1472 HydrophobicContact CB-CB 4.24Å; A1464-V1472 HydrophobicContact CB-CG1 3.6Å; R1469-V1472 HydrophobicContact CB-CB 3.97Å; R1469-V1472 HydrophobicContact CB-CG2 4.19Å; R1469-V1472 WeakPolarHBondContact O-CB 3.49Å; R1469-V1472 PolarHBondContact O-N 2.98Å; V1472-L1475 PolarHBondContact O-N 2.89Å; V1472-L1476 HydrophobicContact CG1-CD1 3.72Å; V1472-L1476 HydrophobicContact CG1-CG 4.3Å; V1472-L1476 WeakPolarHBondContact O-CB 3.4Å; V1472-L1476 WeakPolarHBondContact O-CG 3.39Å; V1472-L1476 PolarHBondContact O-N 3.24Å |
| 1473 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 175.7 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | L1461 A1464 C1465 R1469 Y1470 L1476 V1477 V1505 I1508 L1509 | L1461-V1473 HydrophobicContact CD1-CB 4.45Å; L1461-V1473 HydrophobicContact CD1-CG1 4.02Å; L1461-V1473 HydrophobicContact CD1-CG2 4.38Å; A1464-V1473 HydrophobicContact CB-CG2 3.7Å; C1465-V1473 HydrophobicContact CB-CG2 4.47Å; C1465-V1473 WeakPolarHBondContact SG-CG2 3.35Å; R1469-V1473 WeakPolarHBondContact O-CG2 3.39Å; R1469-V1473 PolarHBondContact O-N 3.02Å; Y1470-V1473 PolarHBondContact O-N 3.2Å; V1473-L1476 PolarHBondContact O-N 3.42Å; V1473-V1477 WeakPolarHBondContact O-CG2 3.33Å; V1473-V1477 PolarHBondContact O-N 3.23Å; V1473-V1505 HydrophobicContact CG1-CG1 4.26Å; V1473-V1505 HydrophobicContact CG2-CG1 4.13Å; V1473-V1505 HydrophobicContact CG2-CG2 4.3Å; V1473-I1508 HydrophobicContact CG1-CG2 4.1Å; V1473-L1509 HydrophobicContact CG1-CD2 4.14Å; V1473-L1509 HydrophobicContact CG1-CG 4.21Å |
| 1474 | Q | 97.5 | Very high | 96 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 35% | 0.346 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.2 | -52.6 | 176.2 | 179.4 | 173.1 | -17.3 | 0 | 0 | 111.4 | Y1470 E1471 L1476 V1477 E1478 I1508 | Y1470-Q1474 WeakPolarHBondContact O-CB 3.43Å; Y1470-Q1474 PolarHBondContact O-N 3.02Å; E1471-Q1474 PolarHBondContact O-N 3.35Å; Q1474-L1476 VanDerWaalsContact C-N 3.28Å; Q1474-L1476 PolarHBondContact O-N 2.91Å; Q1474-V1477 VanDerWaalsContact O-CG2 3.28Å; Q1474-V1477 WeakPolarHBondContact O-CG2 3.32Å; Q1474-V1477 PolarHBondContact O-N 3.27Å; Q1474-E1478 HydrophobicContact CG-CG 4.32Å; Q1474-E1478 VanDerWaalsContact CG-OE1 3.25Å; Q1474-E1478 WeakPolarHBondContact CG-OE1 3.32Å; Q1474-E1478 PolarHBondContact NE2-OE1 2.88Å; Q1474-E1478 WeakPolarHBondContact O-CB 3.5Å; Q1474-E1478 WeakPolarHBondContact O-CG 3.27Å; Q1474-E1478 PolarHBondContact O-N 3.25Å; Q1474-I1508 HydrophobicContact CB-CD1 4.28Å; Q1474-I1508 HydrophobicContact CB-CG2 4.11Å |
| 1475 | L | 97.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -38.6 | 178.7 | 176.2 | 60 | 0 | 0 | 0 | 112.5 | T1436 V1439 R1440 L1443 E1471 V1472 R1479 | T1436-L1475 HydrophobicContact CG2-CD2 3.94Å; T1436-L1475 WeakPolarHBondContact O-CD2 3.19Å; V1439-L1475 HydrophobicContact CB-CD2 4.15Å; V1439-L1475 HydrophobicContact CG1-CD2 3.77Å; V1439-L1475 HydrophobicContact CG1-CG 4.41Å; R1440-L1475 HydrophobicContact CB-CD2 3.82Å; L1443-L1475 HydrophobicContact CD1-CG 4.43Å; E1471-L1475 WeakPolarHBondContact O-CB 3.25Å; E1471-L1475 PolarHBondContact O-N 3.48Å; V1472-L1475 PolarHBondContact O-N 2.89Å; L1475-R1479 HydrophobicContact CD1-CG 4.13Å; L1475-R1479 WeakPolarHBondContact O-CB 3.48Å; L1475-R1479 WeakPolarHBondContact O-CG 3.48Å; L1475-R1479 PolarHBondContact O-N 2.89Å |
| 1476 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.9 | -40.7 | 178 | -73.3 | 170.2 | 0 | 0 | 0 | 112.2 | V1439 L1443 I1449 A1460 L1461 A1464 V1472 V1473 Q1474 R1479 K1480 A1481 | V1439-L1476 HydrophobicContact CG1-CD2 4.3Å; V1439-L1476 HydrophobicContact CG1-CG 4.49Å; L1443-L1476 HydrophobicContact CD1-CD2 4.07Å; I1449-L1476 HydrophobicContact CD1-CD2 3.91Å; I1449-L1476 HydrophobicContact CG1-CD2 3.7Å; A1460-L1476 HydrophobicContact CB-CD1 4.18Å; A1460-L1476 HydrophobicContact CB-CD2 4.34Å; L1461-L1476 HydrophobicContact CB-CD1 4.29Å; L1461-L1476 HydrophobicContact CD1-CB 4.06Å; L1461-L1476 HydrophobicContact CD1-CD1 4.41Å; A1464-L1476 HydrophobicContact CB-CD1 4.21Å; V1472-L1476 HydrophobicContact CG1-CD1 3.72Å; V1472-L1476 HydrophobicContact CG1-CG 4.3Å; V1472-L1476 WeakPolarHBondContact O-CB 3.4Å; V1472-L1476 WeakPolarHBondContact O-CG 3.39Å; V1472-L1476 PolarHBondContact O-N 3.24Å; V1473-L1476 PolarHBondContact O-N 3.42Å; Q1474-L1476 VanDerWaalsContact C-N 3.28Å; Q1474-L1476 PolarHBondContact O-N 2.91Å; L1476-R1479 CarbonylContact O-C 3.55Å; L1476-R1479 PolarHBondContact O-N 3.06Å; L1476-K1480 PolarHBondContact O-N 3.37Å; L1476-A1481 HydrophobicContact CB-CB 4Å; L1476-A1481 WeakPolarHBondContact O-CB 3.14Å; L1476-A1481 PolarHBondContact O-N 3.02Å |
| 1477 | V | 96.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.1 | -36.9 | 177.1 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | L1461 V1473 Q1474 R1479 K1480 I1483 I1508 L1509 Y1512 | L1461-V1477 HydrophobicContact CD1-CG1 4Å; L1461-V1477 HydrophobicContact CD2-CG1 4.33Å; V1473-V1477 WeakPolarHBondContact O-CG2 3.33Å; V1473-V1477 PolarHBondContact O-N 3.23Å; Q1474-V1477 VanDerWaalsContact O-CG2 3.28Å; Q1474-V1477 WeakPolarHBondContact O-CG2 3.32Å; Q1474-V1477 PolarHBondContact O-N 3.27Å; V1477-R1479 VanDerWaalsContact C-N 3.26Å; V1477-R1479 PolarHBondContact O-N 2.94Å; V1477-K1480 WeakPolarHBondContact O-CA 3.18Å; V1477-K1480 PolarHBondContact O-N 3.31Å; V1477-I1483 HydrophobicContact CB-CD1 4.13Å; V1477-I1483 HydrophobicContact CB-CG1 4.35Å; V1477-I1483 HydrophobicContact CG1-CD1 3.99Å; V1477-I1483 HydrophobicContact CG1-CG1 3.77Å; V1477-I1508 HydrophobicContact CG2-CG2 3.96Å; V1477-L1509 HydrophobicContact CG1-CD2 4.26Å; V1477-Y1512 HydrophobicContact CB-CD1 4.17Å; V1477-Y1512 HydrophobicContact CB-CG 4.08Å; V1477-Y1512 HydrophobicContact CG2-CD1 3.74Å; V1477-Y1512 HydrophobicContact CG2-CD2 3.59Å; V1477-Y1512 HydrophobicContact CG2-CE1 4.14Å; V1477-Y1512 HydrophobicContact CG2-CE2 3.99Å; V1477-Y1512 HydrophobicContact CG2-CG 3.45Å; V1477-Y1512 VanDerWaalsContact CG2-CG 3.45Å |
| 1478 | E | 96 | Very high | 95.4 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.3 | -41.1 | 169.1 | -77.4 | 175.2 | -173.4 | 0 | 0 | 111.8 | Q1474 K1480 Y1512 | Q1474-E1478 HydrophobicContact CG-CG 4.32Å; Q1474-E1478 VanDerWaalsContact CG-OE1 3.25Å; Q1474-E1478 WeakPolarHBondContact CG-OE1 3.32Å; Q1474-E1478 PolarHBondContact NE2-OE1 2.88Å; Q1474-E1478 WeakPolarHBondContact O-CB 3.5Å; Q1474-E1478 WeakPolarHBondContact O-CG 3.27Å; Q1474-E1478 PolarHBondContact O-N 3.25Å; E1478-K1480 PolarHBondContact O-N 3.41Å; E1478-Y1512 HydrophobicContact CG-CE1 4.07Å; E1478-Y1512 WeakPolarHBondContact CG-OH 3.41Å; E1478-Y1512 PolarHBondContact OE1-OH 3.06Å |
| 1479 | R | 96.2 | Very high | 95.1 | Very high | 97 Ų | 97 | 57 Ų | 57 | 37% | 0.366 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 11.8 | 176 | -62.5 | -69.9 | 176 | 112.7 | 3.6 | 113.8 | L1443 E1444 I1449 L1475 L1476 V1477 | L1443-R1479 HydrophobicContact CD1-CB 4.24Å; L1443-R1479 HydrophobicContact CD1-CG 4.12Å; E1444-R1479 IonicContact OE1-CZ 3.88Å; E1444-R1479 IonicContact OE1-NH1 3.56Å; E1444-R1479 PolarHBondContact OE1-NH1 2.9Å; E1444-R1479 IonicContact OE1-NH2 3.9Å; E1444-R1479 PolarHBondContact OE1-NH2 3.14Å; I1449-R1479 HydrophobicContact CD1-CB 3.64Å; I1449-R1479 WeakPolarHBondContact CD1-O 3.34Å; L1475-R1479 HydrophobicContact CD1-CG 4.13Å; L1475-R1479 WeakPolarHBondContact O-CB 3.48Å; L1475-R1479 WeakPolarHBondContact O-CG 3.48Å; L1475-R1479 PolarHBondContact O-N 2.89Å; L1476-R1479 CarbonylContact O-C 3.55Å; L1476-R1479 PolarHBondContact O-N 3.06Å; V1477-R1479 VanDerWaalsContact C-N 3.26Å; V1477-R1479 PolarHBondContact O-N 2.94Å |
| 1480 | K | 94.3 | Very high | 94.8 | Very high | 178 Ų | 178 | 53.3 Ų | 53.3 | 77% | 0.774 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66 | 40.9 | 173 | -52.3 | 179.2 | -177.3 | 176.5 | 0 | 115.2 | L1476 V1477 E1478 | L1476-K1480 PolarHBondContact O-N 3.37Å; V1477-K1480 WeakPolarHBondContact O-CA 3.18Å; V1477-K1480 PolarHBondContact O-N 3.31Å; E1478-K1480 PolarHBondContact O-N 3.41Å |
| 1481 | A | 96.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | trans | -58.1 | 148.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111 | I1449 L1461 L1476 I1483 | I1449-A1481 HydrophobicContact CD1-CB 3.88Å; I1449-A1481 HydrophobicContact CG1-CB 3.91Å; L1461-A1481 HydrophobicContact CB-CB 4.09Å; L1461-A1481 HydrophobicContact CD2-CB 3.94Å; L1461-A1481 HydrophobicContact CG-CB 4.47Å; L1476-A1481 HydrophobicContact CB-CB 4Å; L1476-A1481 WeakPolarHBondContact O-CB 3.14Å; L1476-A1481 PolarHBondContact O-N 3.02Å; A1481-I1483 PolarHBondContact O-N 3.26Å | ||
| 1482 | N | 95 | Very high | 94.6 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | trans | -72.8 | 97.5 | -179.3 | -179.4 | 17.4 | 0 | 0 | 0 | 112.1 | N1450 E1484 H1485 | N1450-N1482 VanDerWaalsContact OD1-CB 3.32Å; N1450-N1482 WeakPolarHBondContact OD1-CB 3.19Å; N1450-N1482 PolarHBondContact OD1-N 3.29Å; N1482-E1484 VanDerWaalsContact C-N 3.3Å; N1482-E1484 PolarHBondContact O-N 3.31Å; N1482-E1484 PolarHBondContact OD1-N 3.41Å; N1482-H1485 HydrophobicContact CB-CB 4.03Å; N1482-H1485 WeakPolarHBondContact ND2-CA 3.27Å; N1482-H1485 WeakPolarHBondContact O-CB 3.36Å; N1482-H1485 PolarHBondContact O-N 3.37Å; N1482-H1485 VanDerWaalsContact O-N 3.08Å; N1482-H1485 PolarHBondContact OD1-N 2.89Å | ||
| 1483 | I | 95.8 | Very high | 94.5 | Very high | 28 Ų | 28 | 46.4 Ų | 46.4 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -36.1 | -179 | -61.3 | 176.7 | 0 | 0 | 0 | 112.7 | V1477 A1481 H1485 P1493 L1509 Y1512 A1514 | V1477-I1483 HydrophobicContact CB-CD1 4.13Å; V1477-I1483 HydrophobicContact CB-CG1 4.35Å; V1477-I1483 HydrophobicContact CG1-CD1 3.99Å; V1477-I1483 HydrophobicContact CG1-CG1 3.77Å; A1481-I1483 PolarHBondContact O-N 3.26Å; I1483-H1485 VanDerWaalsContact C-N 3.33Å; I1483-P1493 VanDerWaalsContact O-CD 3.29Å; I1483-P1493 WeakPolarHBondContact O-CD 3.23Å; I1483-P1493 WeakPolarHBondContact O-CG 3.36Å; I1483-L1509 HydrophobicContact CG2-CD2 4.22Å; I1483-Y1512 VanDerWaalsContact CD1-O 3.28Å; I1483-Y1512 WeakPolarHBondContact CD1-O 3.38Å; I1483-A1514 HydrophobicContact CG2-CB 3.52Å |
| 1484 | E | 94.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 30% | 0.304 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 18.6 | 178.4 | -75.1 | -61.9 | 138.7 | 0 | 0 | 113 | N1482 R1486 D1515 | N1482-E1484 VanDerWaalsContact C-N 3.3Å; N1482-E1484 PolarHBondContact O-N 3.31Å; N1482-E1484 PolarHBondContact OD1-N 3.41Å; E1484-R1486 IonicContact OE2-NH2 2.75Å; E1484-D1515 PolarHBondContact OE1-N 2.89Å |
| 1485 | H | 94.1 | Very high | 94.4 | Very high | 22 Ų | 22 | 43 Ų | 43 | 10% | 0.102 | 20% | 0.203 | C | C | . | . | trans | -60.3 | 147 | 172.8 | -174.3 | 65.6 | 0 | 0 | 0 | 111.1 | R1457 N1482 I1483 T1492 P1493 | R1457-H1485 PolarHBondContact O-NE2 3.39Å; N1482-H1485 HydrophobicContact CB-CB 4.03Å; N1482-H1485 WeakPolarHBondContact ND2-CA 3.27Å; N1482-H1485 WeakPolarHBondContact O-CB 3.36Å; N1482-H1485 PolarHBondContact O-N 3.37Å; N1482-H1485 VanDerWaalsContact O-N 3.08Å; N1482-H1485 PolarHBondContact OD1-N 2.89Å; I1483-H1485 VanDerWaalsContact C-N 3.33Å; H1485-T1492 WeakPolarHBondContact O-CA 3.35Å; H1485-P1493 WeakPolarHBondContact O-CD 3.12Å | ||
| 1486 | R | 92.6 | Very high | 94.3 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 23% | 0.226 | 21% | 0.207 | C | C | . | . | trans | -123.3 | 121.7 | 179.2 | -70.8 | 178.7 | -175.6 | -111.1 | 2.1 | 112.2 | E1484 G1490 L1491 T1492 S1519 | E1484-R1486 IonicContact OE2-NH2 2.75Å; R1486-G1490 PolarHBondContact NH1-O 2.97Å; R1486-L1491 WeakPolarHBondContact CA-O 3.49Å; R1486-T1492 HydrophobicContact CG-CG2 3.74Å; R1486-T1492 VanDerWaalsContact CZ-CG2 3.41Å; R1486-S1519 VanDerWaalsContact CZ-O 3.24Å; R1486-S1519 PolarHBondContact NH1-O 3.12Å; R1486-S1519 PolarHBondContact NH2-O 2.9Å | ||
| 1487 | A | 90.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | trans | -60.8 | 165.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N1458 T1489 G1490 L1491 | N1458-A1487 WeakPolarHBondContact OD1-CB 3.19Å; A1487-T1489 WeakPolarHBondContact CB-OG1 3.49Å; A1487-T1489 PolarHBondContact O-N 3.08Å; A1487-G1490 WeakPolarHBondContact O-CA 3.44Å; A1487-G1490 PolarHBondContact O-N 2.9Å; A1487-L1491 PolarHBondContact N-O 2.77Å | ||
| 1488 | K | 89.7 | Confident | 94.2 | Very high | 154 Ų | 154 | 43.4 Ų | 43.4 | 67% | 0.67 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.1 | 178.8 | -174.9 | 176.9 | 175.2 | -179.2 | 0 | 113.1 | T1455 N1456 R1457 G1490 | T1455-K1488 WeakPolarHBondContact O-CD 3.32Å; T1455-K1488 PolarHBondContact O-NZ 3.12Å; N1456-K1488 WeakPolarHBondContact O-CB 3.25Å; N1456-K1488 PolarHBondContact O-N 2.68Å; R1457-K1488 HydrophobicContact CG-CB 4.37Å; K1488-G1490 PolarHBondContact O-N 3.32Å |
| 1489 | T | 87.7 | Confident | 94 | Very high | 77 Ų | 77 | 41.7 Ų | 41.7 | 47% | 0.472 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -26.7 | 168 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | A1487 L1491 V1521 | A1487-T1489 WeakPolarHBondContact CB-OG1 3.49Å; A1487-T1489 PolarHBondContact O-N 3.08Å; T1489-L1491 HydrophobicContact CG2-CD1 4.4Å; T1489-L1491 PolarHBondContact OG1-N 3.19Å; T1489-V1521 WeakPolarHBondContact O-CG1 3.23Å |
| 1490 | G | 90.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 93.3 | -3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1486 A1487 K1488 | R1486-G1490 PolarHBondContact NH1-O 2.97Å; A1487-G1490 WeakPolarHBondContact O-CA 3.44Å; A1487-G1490 PolarHBondContact O-N 2.9Å; K1488-G1490 PolarHBondContact O-N 3.32Å |
| 1491 | L | 92.9 | Very high | 93.7 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 17% | 0.173 | 18% | 0.176 | C | C | . | . | trans | -71.7 | 144.1 | 177.2 | -63.5 | 164.9 | 0 | 0 | 0 | 110.8 | R1486 A1487 T1489 M1495 E1496 V1521 I1531 | R1486-L1491 WeakPolarHBondContact CA-O 3.49Å; A1487-L1491 PolarHBondContact N-O 2.77Å; T1489-L1491 HydrophobicContact CG2-CD1 4.4Å; T1489-L1491 PolarHBondContact OG1-N 3.19Å; L1491-M1495 HydrophobicContact CB-CB 4.18Å; L1491-M1495 HydrophobicContact CD2-CB 3.63Å; L1491-M1495 HydrophobicContact CD2-SD 4.24Å; L1491-E1496 HydrophobicContact CB-CG 4.21Å; L1491-E1496 WeakPolarHBondContact CB-OE1 3.22Å; L1491-E1496 VanDerWaalsContact CD1-OE1 3.23Å; L1491-E1496 WeakPolarHBondContact CD1-OE1 3.46Å; L1491-V1521 HydrophobicContact CD2-CG2 3.56Å; L1491-V1521 HydrophobicContact CG-CG2 4.27Å; L1491-I1531 HydrophobicContact CD2-CD1 3.63Å | ||
| 1492 | T | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -94.8 | 162.4 | 166.7 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | H1485 R1486 L1494 M1495 E1496 | H1485-T1492 WeakPolarHBondContact O-CA 3.35Å; R1486-T1492 HydrophobicContact CG-CG2 3.74Å; R1486-T1492 VanDerWaalsContact CZ-CG2 3.41Å; T1492-L1494 PolarHBondContact O-N 3.35Å; T1492-L1494 VanDerWaalsContact O-N 3.09Å; T1492-M1495 WeakPolarHBondContact O-CA 3.48Å; T1492-M1495 WeakPolarHBondContact O-CB 3.42Å; T1492-M1495 PolarHBondContact O-N 3.34Å; T1492-M1495 WeakPolarHBondContact OG1-CG 3.44Å; T1492-E1496 PolarHBondContact O-N 2.96Å | ||
| 1493 | P | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -42.1 | -41 | 169.3 | -34.4 | 35.8 | 0 | 0 | 0 | 114.9 | L1461 T1462 C1465 I1483 H1485 E1496 A1497 L1509 | L1461-P1493 HydrophobicContact CD2-CB 4.36Å; L1461-P1493 HydrophobicContact CD2-CG 3.89Å; L1461-P1493 HydrophobicContact CG-CB 4.35Å; L1461-P1493 HydrophobicContact CG-CG 4.09Å; T1462-P1493 HydrophobicContact CG2-CG 3.92Å; C1465-P1493 HydrophobicContact CB-CB 4.41Å; I1483-P1493 VanDerWaalsContact O-CD 3.29Å; I1483-P1493 WeakPolarHBondContact O-CD 3.23Å; I1483-P1493 WeakPolarHBondContact O-CG 3.36Å; H1485-P1493 WeakPolarHBondContact O-CD 3.12Å; P1493-E1496 PolarHBondContact O-N 3.13Å; P1493-A1497 WeakPolarHBondContact O-CB 3.19Å; P1493-A1497 PolarHBondContact O-N 2.97Å; P1493-L1509 HydrophobicContact CB-CD1 3.99Å; P1493-L1509 HydrophobicContact CB-CD2 3.94Å |
| 1494 | L | 97.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.1 | -34.2 | 177.7 | -175.4 | 66.9 | 0 | 0 | 0 | 112.7 | T1492 A1498 L1509 L1510 A1514 A1528 F1540 L1544 | T1492-L1494 PolarHBondContact O-N 3.35Å; T1492-L1494 VanDerWaalsContact O-N 3.09Å; L1494-A1498 VanDerWaalsContact O-CB 3.23Å; L1494-A1498 WeakPolarHBondContact O-CB 3.3Å; L1494-A1498 PolarHBondContact O-N 3.34Å; L1494-L1509 HydrophobicContact CB-CD1 4.32Å; L1494-L1509 HydrophobicContact CD1-CB 4.28Å; L1494-L1509 HydrophobicContact CD1-CD1 4.4Å; L1494-L1510 HydrophobicContact CD1-CD1 4.12Å; L1494-L1510 HydrophobicContact CD1-CD2 4.24Å; L1494-L1510 HydrophobicContact CD1-CG 3.88Å; L1494-L1510 HydrophobicContact CD2-CD2 3.71Å; L1494-L1510 HydrophobicContact CD2-CG 4.29Å; L1494-A1514 HydrophobicContact CB-CB 4.41Å; L1494-A1514 HydrophobicContact CD2-CB 4.24Å; L1494-A1528 HydrophobicContact CG-CB 4.4Å; L1494-F1540 HydrophobicContact CD1-CE1 4.2Å; L1494-F1540 HydrophobicContact CD1-CZ 3.94Å; L1494-L1544 HydrophobicContact CD2-CD2 4.35Å |
| 1495 | M | 96.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.2 | -33.1 | 176.9 | -64.2 | 178 | -176 | 0 | 0 | 112.7 | L1491 T1492 S1499 A1518 V1521 A1528 I1531 | L1491-M1495 HydrophobicContact CB-CB 4.18Å; L1491-M1495 HydrophobicContact CD2-CB 3.63Å; L1491-M1495 HydrophobicContact CD2-SD 4.24Å; T1492-M1495 WeakPolarHBondContact O-CA 3.48Å; T1492-M1495 WeakPolarHBondContact O-CB 3.42Å; T1492-M1495 PolarHBondContact O-N 3.34Å; T1492-M1495 WeakPolarHBondContact OG1-CG 3.44Å; M1495-S1499 PolarHBondContact O-N 3.04Å; M1495-A1518 HydrophobicContact CE-CB 4.15Å; M1495-A1518 WeakPolarHBondContact CE-O 3.42Å; M1495-V1521 HydrophobicContact SD-CG2 3.74Å; M1495-A1528 HydrophobicContact CG-CB 4.16Å; M1495-I1531 HydrophobicContact CB-CD1 3.85Å; M1495-I1531 HydrophobicContact CG-CD1 4.19Å |
| 1496 | E | 94 | Very high | 94 | Very high | 20 Ų | 20 | 32.5 Ų | 32.5 | 9% | 0.093 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65 | -49.2 | 170.5 | -59.5 | -67.6 | -179.8 | 0 | 0 | 109.9 | L1491 T1492 P1493 A1498 S1499 G1500 | L1491-E1496 HydrophobicContact CB-CG 4.21Å; L1491-E1496 WeakPolarHBondContact CB-OE1 3.22Å; L1491-E1496 VanDerWaalsContact CD1-OE1 3.23Å; L1491-E1496 WeakPolarHBondContact CD1-OE1 3.46Å; T1492-E1496 PolarHBondContact O-N 2.96Å; P1493-E1496 PolarHBondContact O-N 3.13Å; E1496-A1498 VanDerWaalsContact C-N 3.32Å; E1496-A1498 PolarHBondContact O-N 2.9Å; E1496-S1499 WeakPolarHBondContact O-CB 3.33Å; E1496-S1499 PolarHBondContact O-N 2.84Å; E1496-G1500 PolarHBondContact O-N 3.39Å |
| 1497 | A | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.3 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1493 S1499 G1500 D1501 Y1502 V1505 L1509 F1540 | P1493-A1497 WeakPolarHBondContact O-CB 3.19Å; P1493-A1497 PolarHBondContact O-N 2.97Å; A1497-S1499 PolarHBondContact O-N 3.26Å; A1497-G1500 PolarHBondContact O-N 2.82Å; A1497-G1500 VanDerWaalsContact O-N 3.08Å; A1497-D1501 PolarHBondContact O-N 3.33Å; A1497-Y1502 PolarHBondContact O-N 3.43Å; A1497-V1505 HydrophobicContact CB-CB 4.29Å; A1497-V1505 HydrophobicContact CB-CG1 3.64Å; A1497-L1509 HydrophobicContact CB-CD1 4.29Å; A1497-F1540 VanDerWaalsContact C-CE2 3.47Å; A1497-F1540 HydrophobicContact CB-CE2 3.8Å; A1497-F1540 HydrophobicContact CB-CZ 3.85Å; A1497-F1540 WeakPolarHBondContact O-CE2 3.46Å |
| 1498 | A | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.9 | -23.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1494 E1496 A1528 A1532 N1537 F1540 | L1494-A1498 VanDerWaalsContact O-CB 3.23Å; L1494-A1498 WeakPolarHBondContact O-CB 3.3Å; L1494-A1498 PolarHBondContact O-N 3.34Å; E1496-A1498 VanDerWaalsContact C-N 3.32Å; E1496-A1498 PolarHBondContact O-N 2.9Å; A1498-A1528 HydrophobicContact CB-CB 4.02Å; A1498-A1532 HydrophobicContact CB-CB 4.4Å; A1498-N1537 PolarHBondContact O-ND2 3.35Å; A1498-F1540 HydrophobicContact CB-CD1 3.77Å; A1498-F1540 HydrophobicContact CB-CE1 3.47Å; A1498-F1540 VanDerWaalsContact CB-CE1 3.47Å; A1498-F1540 HydrophobicContact CB-CZ 3.97Å |
| 1499 | S | 93.3 | Very high | 95 | Very high | 43 Ų | 43 | 27.1 Ų | 27.1 | 30% | 0.301 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -80.8 | -21.3 | 174.6 | -175.4 | 0 | 0 | 0 | 0 | 113.3 | M1495 E1496 A1497 K1535 N1537 | M1495-S1499 PolarHBondContact O-N 3.04Å; E1496-S1499 WeakPolarHBondContact O-CB 3.33Å; E1496-S1499 PolarHBondContact O-N 2.84Å; A1497-S1499 PolarHBondContact O-N 3.26Å; S1499-K1535 VanDerWaalsContact OG-CE 3.25Å; S1499-K1535 WeakPolarHBondContact OG-CE 3.16Å; S1499-K1535 PolarHBondContact OG-NZ 3.31Å; S1499-N1537 PolarHBondContact O-ND2 3.07Å |
| 1500 | G | 89.4 | Confident | 95.4 | Very high | 34 Ų | 34 | 24.3 Ų | 24.3 | 35% | 0.351 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -104.7 | -1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116 | E1496 A1497 Y1502 | E1496-G1500 PolarHBondContact O-N 3.39Å; A1497-G1500 PolarHBondContact O-N 2.82Å; A1497-G1500 VanDerWaalsContact O-N 3.08Å; G1500-Y1502 PolarHBondContact O-N 3.02Å |
| 1501 | D | 93.2 | Very high | 95.6 | Very high | 50 Ų | 50 | 28.5 Ų | 28.5 | 27% | 0.267 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 29.4 | -169.3 | -155.3 | 40.4 | 0 | 0 | 0 | 113.1 | A1497 V1503 N1537 F1540 | A1497-D1501 PolarHBondContact O-N 3.33Å; D1501-V1503 WeakPolarHBondContact O-CG2 3.41Å; D1501-V1503 PolarHBondContact O-N 3.41Å; D1501-N1537 HydrophobicContact CB-CB 3.86Å; D1501-N1537 PolarHBondContact N-ND2 3.29Å; D1501-N1537 WeakPolarHBondContact OD1-CB 3.46Å; D1501-F1540 VanDerWaalsContact OD1-CB 3.29Å; D1501-F1540 WeakPolarHBondContact OD1-CB 2.93Å; D1501-F1540 PolarHBondContact OD1-N 3.12Å |
| 1502 | Y | 96.4 | Very high | 95.8 | Very high | 82 Ų | 82 | 32 Ų | 32 | 32% | 0.322 | 16% | 0.161 | S | C | . | . | trans | -76.6 | 69.4 | 178.4 | -58.7 | -51.3 | 0 | 0 | 0 | 111 | C1465 F1466 A1497 G1500 E1504 V1505 G1506 F1540 | C1465-Y1502 VanDerWaalsContact O-CD2 3.26Å; C1465-Y1502 WeakPolarHBondContact O-CD2 3.13Å; F1466-Y1502 WeakPolarHBondContact O-CE2 3.33Å; A1497-Y1502 PolarHBondContact O-N 3.43Å; G1500-Y1502 PolarHBondContact O-N 3.02Å; Y1502-E1504 VanDerWaalsContact C-N 3.32Å; Y1502-E1504 PolarHBondContact O-N 3.18Å; Y1502-V1505 WeakPolarHBondContact O-CB 3.28Å; Y1502-V1505 PolarHBondContact O-N 3.15Å; Y1502-V1505 VanDerWaalsContact O-N 3.12Å; Y1502-G1506 PolarHBondContact O-N 2.72Å; Y1502-F1540 WeakPolarHBondContact O-CE2 3.15Å | ||
| 1503 | V | 96.2 | Very high | 95.8 | Very high | 25 Ų | 25 | 34.9 Ų | 34.9 | 15% | 0.152 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -51.5 | -46.4 | -169.6 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | D1501 G1506 R1507 K1539 L1543 | D1501-V1503 WeakPolarHBondContact O-CG2 3.41Å; D1501-V1503 PolarHBondContact O-N 3.41Å; V1503-G1506 CarbonylContact O-C 3.56Å; V1503-G1506 WeakPolarHBondContact O-CA 3.42Å; V1503-G1506 PolarHBondContact O-N 2.91Å; V1503-G1506 VanDerWaalsContact O-N 3.13Å; V1503-R1507 PolarHBondContact O-N 3.43Å; V1503-K1539 HydrophobicContact CG2-CB 3.51Å; V1503-K1539 HydrophobicContact CG2-CD 4.39Å; V1503-L1543 HydrophobicContact CG1-CD2 4.04Å; V1503-L1543 WeakPolarHBondContact O-CD2 2.77Å |
| 1504 | E | 96.6 | Very high | 95.8 | Very high | 85 Ų | 85 | 35.2 Ų | 35.2 | 40% | 0.397 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -72.5 | -34.9 | -177.8 | -59.5 | -47.9 | 124.2 | 0 | 0 | 113 | Y1502 G1506 R1507 I1508 | Y1502-E1504 VanDerWaalsContact C-N 3.32Å; Y1502-E1504 PolarHBondContact O-N 3.18Å; E1504-G1506 VanDerWaalsContact C-N 3.28Å; E1504-G1506 PolarHBondContact O-N 3.34Å; E1504-R1507 PolarHBondContact O-N 2.88Å; E1504-R1507 IonicContact OE1-CZ 3.37Å; E1504-R1507 IonicContact OE1-NE 3.98Å; E1504-R1507 PolarHBondContact OE1-NE 3.07Å; E1504-R1507 IonicContact OE1-NH2 3.66Å; E1504-R1507 PolarHBondContact OE1-NH2 3.08Å; E1504-R1507 WeakPolarHBondContact OE2-CD 3.21Å; E1504-R1507 IonicContact OE2-CZ 2.66Å; E1504-R1507 IonicContact OE2-NE 4Å; E1504-R1507 PolarHBondContact OE2-NE 2.86Å; E1504-R1507 IonicContact OE2-NH2 2.74Å; E1504-I1508 WeakPolarHBondContact O-CB 3.23Å; E1504-I1508 WeakPolarHBondContact O-CD1 3.35Å; E1504-I1508 VanDerWaalsContact O-CG1 3.24Å; E1504-I1508 WeakPolarHBondContact O-CG1 3.43Å; E1504-I1508 PolarHBondContact O-N 3.18Å |
| 1505 | V | 97.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -44.6 | 166.4 | 170.9 | 0 | 0 | 0 | 0 | 110 | C1465 V1473 A1497 Y1502 L1509 | C1465-V1505 HydrophobicContact CB-CG1 3.97Å; V1473-V1505 HydrophobicContact CG1-CG1 4.26Å; V1473-V1505 HydrophobicContact CG2-CG1 4.13Å; V1473-V1505 HydrophobicContact CG2-CG2 4.3Å; A1497-V1505 HydrophobicContact CB-CB 4.29Å; A1497-V1505 HydrophobicContact CB-CG1 3.64Å; Y1502-V1505 WeakPolarHBondContact O-CB 3.28Å; Y1502-V1505 PolarHBondContact O-N 3.15Å; Y1502-V1505 VanDerWaalsContact O-N 3.12Å; V1505-L1509 HydrophobicContact CG1-CD1 3.84Å; V1505-L1509 HydrophobicContact CG1-CG 4.43Å; V1505-L1509 WeakPolarHBondContact O-CB 3.31Å; V1505-L1509 WeakPolarHBondContact O-CD1 3.38Å; V1505-L1509 WeakPolarHBondContact O-CG 3.44Å; V1505-L1509 PolarHBondContact O-N 3.28Å |
| 1506 | G | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1502 V1503 E1504 L1509 L1510 | Y1502-G1506 PolarHBondContact O-N 2.72Å; V1503-G1506 CarbonylContact O-C 3.56Å; V1503-G1506 WeakPolarHBondContact O-CA 3.42Å; V1503-G1506 PolarHBondContact O-N 2.91Å; V1503-G1506 VanDerWaalsContact O-N 3.13Å; E1504-G1506 VanDerWaalsContact C-N 3.28Å; E1504-G1506 PolarHBondContact O-N 3.34Å; G1506-L1509 PolarHBondContact O-N 2.96Å; G1506-L1510 WeakPolarHBondContact O-CB 3.44Å; G1506-L1510 WeakPolarHBondContact O-CD1 3.37Å; G1506-L1510 VanDerWaalsContact O-CG 3.22Å; G1506-L1510 WeakPolarHBondContact O-CG 3.24Å; G1506-L1510 PolarHBondContact O-N 2.93Å |
| 1507 | R | 97.4 | Very high | 95.8 | Very high | 87 Ų | 87 | 41.5 Ų | 41.5 | 33% | 0.328 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63 | -52 | 179.2 | -168.5 | -170.7 | -48.5 | -73.4 | -4.5 | 110.8 | V1503 E1504 L1509 L1510 D1511 L1543 | V1503-R1507 PolarHBondContact O-N 3.43Å; E1504-R1507 PolarHBondContact O-N 2.88Å; E1504-R1507 IonicContact OE1-CZ 3.37Å; E1504-R1507 IonicContact OE1-NE 3.98Å; E1504-R1507 PolarHBondContact OE1-NE 3.07Å; E1504-R1507 IonicContact OE1-NH2 3.66Å; E1504-R1507 PolarHBondContact OE1-NH2 3.08Å; E1504-R1507 WeakPolarHBondContact OE2-CD 3.21Å; E1504-R1507 IonicContact OE2-CZ 2.66Å; E1504-R1507 IonicContact OE2-NE 4Å; E1504-R1507 PolarHBondContact OE2-NE 2.86Å; E1504-R1507 IonicContact OE2-NH2 2.74Å; R1507-L1509 PolarHBondContact O-N 3.36Å; R1507-L1510 PolarHBondContact O-N 3.18Å; R1507-D1511 WeakPolarHBondContact CG-OD2 3.47Å; R1507-D1511 WeakPolarHBondContact O-CB 3.28Å; R1507-D1511 PolarHBondContact O-N 3.4Å; R1507-L1543 HydrophobicContact CB-CD2 4.36Å |
| 1508 | I | 97.2 | Very high | 95.6 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.5 | -48.2 | 177.4 | -68 | 159 | 0 | 0 | 0 | 110.5 | Y1470 V1473 Q1474 V1477 E1504 L1510 D1511 Y1512 | Y1470-I1508 HydrophobicContact CD2-CD1 4.12Å; V1473-I1508 HydrophobicContact CG1-CG2 4.1Å; Q1474-I1508 HydrophobicContact CB-CD1 4.28Å; Q1474-I1508 HydrophobicContact CB-CG2 4.11Å; V1477-I1508 HydrophobicContact CG2-CG2 3.96Å; E1504-I1508 WeakPolarHBondContact O-CB 3.23Å; E1504-I1508 WeakPolarHBondContact O-CD1 3.35Å; E1504-I1508 VanDerWaalsContact O-CG1 3.24Å; E1504-I1508 WeakPolarHBondContact O-CG1 3.43Å; E1504-I1508 PolarHBondContact O-N 3.18Å; I1508-L1510 PolarHBondContact O-N 2.91Å; I1508-D1511 PolarHBondContact O-N 2.98Å; I1508-Y1512 HydrophobicContact CG2-CD2 4.1Å; I1508-Y1512 HydrophobicContact CG2-CE2 4.45Å; I1508-Y1512 WeakPolarHBondContact O-CB 3.23Å; I1508-Y1512 WeakPolarHBondContact O-CD2 3.33Å; I1508-Y1512 PolarHBondContact O-N 3.49Å |
| 1509 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 178 | -71.8 | 168.7 | 0 | 0 | 0 | 112.2 | V1473 V1477 I1483 P1493 L1494 A1497 V1505 G1506 R1507 Y1512 G1513 A1514 | V1473-L1509 HydrophobicContact CG1-CD2 4.14Å; V1473-L1509 HydrophobicContact CG1-CG 4.21Å; V1477-L1509 HydrophobicContact CG1-CD2 4.26Å; I1483-L1509 HydrophobicContact CG2-CD2 4.22Å; P1493-L1509 HydrophobicContact CB-CD1 3.99Å; P1493-L1509 HydrophobicContact CB-CD2 3.94Å; L1494-L1509 HydrophobicContact CB-CD1 4.32Å; L1494-L1509 HydrophobicContact CD1-CB 4.28Å; L1494-L1509 HydrophobicContact CD1-CD1 4.4Å; A1497-L1509 HydrophobicContact CB-CD1 4.29Å; V1505-L1509 HydrophobicContact CG1-CD1 3.84Å; V1505-L1509 HydrophobicContact CG1-CG 4.43Å; V1505-L1509 WeakPolarHBondContact O-CB 3.31Å; V1505-L1509 WeakPolarHBondContact O-CD1 3.38Å; V1505-L1509 WeakPolarHBondContact O-CG 3.44Å; V1505-L1509 PolarHBondContact O-N 3.28Å; G1506-L1509 PolarHBondContact O-N 2.96Å; R1507-L1509 PolarHBondContact O-N 3.36Å; L1509-Y1512 CarbonylContact O-C 3.58Å; L1509-G1513 PolarHBondContact O-N 2.95Å; L1509-A1514 HydrophobicContact CB-CB 4.04Å; L1509-A1514 WeakPolarHBondContact O-CB 3.18Å; L1509-A1514 PolarHBondContact O-N 3.18Å |
| 1510 | L | 96.7 | Very high | 95.4 | Very high | 18 Ų | 18 | 45.8 Ų | 45.8 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.3 | -38.5 | -179.9 | -71.6 | 164.8 | 0 | 0 | 0 | 112.4 | L1494 G1506 R1507 I1508 G1513 V1516 L1543 L1544 K1547 | L1494-L1510 HydrophobicContact CD1-CD1 4.12Å; L1494-L1510 HydrophobicContact CD1-CD2 4.24Å; L1494-L1510 HydrophobicContact CD1-CG 3.88Å; L1494-L1510 HydrophobicContact CD2-CD2 3.71Å; L1494-L1510 HydrophobicContact CD2-CG 4.29Å; G1506-L1510 WeakPolarHBondContact O-CB 3.44Å; G1506-L1510 WeakPolarHBondContact O-CD1 3.37Å; G1506-L1510 VanDerWaalsContact O-CG 3.22Å; G1506-L1510 WeakPolarHBondContact O-CG 3.24Å; G1506-L1510 PolarHBondContact O-N 2.93Å; R1507-L1510 PolarHBondContact O-N 3.18Å; I1508-L1510 PolarHBondContact O-N 2.91Å; L1510-G1513 PolarHBondContact O-N 2.98Å; L1510-G1513 VanDerWaalsContact O-N 3.1Å; L1510-V1516 HydrophobicContact CD2-CB 3.7Å; L1510-V1516 HydrophobicContact CD2-CG2 4Å; L1510-L1543 HydrophobicContact CD1-CD1 4.39Å; L1510-L1543 HydrophobicContact CD1-CD2 4.24Å; L1510-L1543 HydrophobicContact CD1-CG 4.04Å; L1510-L1544 HydrophobicContact CD1-CD2 4.29Å; L1510-K1547 HydrophobicContact CB-CD 4.45Å; L1510-K1547 HydrophobicContact CD1-CB 4.25Å; L1510-K1547 HydrophobicContact CD1-CG 4Å |
| 1511 | D | 95.8 | Very high | 95.5 | Very high | 96 Ų | 96 | 44.5 Ų | 44.5 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72.7 | -29.6 | 178.4 | -70 | -21.1 | 0 | 0 | 0 | 112.4 | R1507 I1508 G1513 K1547 | R1507-D1511 WeakPolarHBondContact CG-OD2 3.47Å; R1507-D1511 WeakPolarHBondContact O-CB 3.28Å; R1507-D1511 PolarHBondContact O-N 3.4Å; I1508-D1511 PolarHBondContact O-N 2.98Å; D1511-G1513 VanDerWaalsContact C-N 3.27Å; D1511-K1547 IonicContact OD1-NZ 2.98Å; D1511-K1547 PolarHBondContact OD1-NZ 3.35Å |
| 1512 | Y | 96.6 | Very high | 95.4 | Very high | 108 Ų | 108 | 47.1 Ų | 47.1 | 42% | 0.424 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 6.5 | 167.8 | -79.9 | -94.3 | 0 | 0 | 0 | 114 | V1477 E1478 I1483 I1508 L1509 | V1477-Y1512 HydrophobicContact CB-CD1 4.17Å; V1477-Y1512 HydrophobicContact CB-CG 4.08Å; V1477-Y1512 HydrophobicContact CG2-CD1 3.74Å; V1477-Y1512 HydrophobicContact CG2-CD2 3.59Å; V1477-Y1512 HydrophobicContact CG2-CE1 4.14Å; V1477-Y1512 HydrophobicContact CG2-CE2 3.99Å; V1477-Y1512 HydrophobicContact CG2-CG 3.45Å; V1477-Y1512 VanDerWaalsContact CG2-CG 3.45Å; E1478-Y1512 HydrophobicContact CG-CE1 4.07Å; E1478-Y1512 WeakPolarHBondContact CG-OH 3.41Å; E1478-Y1512 PolarHBondContact OE1-OH 3.06Å; I1483-Y1512 VanDerWaalsContact CD1-O 3.28Å; I1483-Y1512 WeakPolarHBondContact CD1-O 3.38Å; I1508-Y1512 HydrophobicContact CG2-CD2 4.1Å; I1508-Y1512 HydrophobicContact CG2-CE2 4.45Å; I1508-Y1512 WeakPolarHBondContact O-CB 3.23Å; I1508-Y1512 WeakPolarHBondContact O-CD2 3.33Å; I1508-Y1512 PolarHBondContact O-N 3.49Å; L1509-Y1512 CarbonylContact O-C 3.58Å |
| 1513 | G | 94.8 | Very high | 95.1 | Very high | 59 Ų | 59 | 46.8 Ų | 46.8 | 61% | 0.608 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 25.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117 | L1509 L1510 D1511 | L1509-G1513 PolarHBondContact O-N 2.95Å; L1510-G1513 PolarHBondContact O-N 2.98Å; L1510-G1513 VanDerWaalsContact O-N 3.1Å; D1511-G1513 VanDerWaalsContact C-N 3.27Å |
| 1514 | A | 96.5 | Very high | 94.9 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | trans | -59.2 | 141.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1483 L1494 L1509 V1516 | I1483-A1514 HydrophobicContact CG2-CB 3.52Å; L1494-A1514 HydrophobicContact CB-CB 4.41Å; L1494-A1514 HydrophobicContact CD2-CB 4.24Å; L1509-A1514 HydrophobicContact CB-CB 4.04Å; L1509-A1514 WeakPolarHBondContact O-CB 3.18Å; L1509-A1514 PolarHBondContact O-N 3.18Å; A1514-V1516 PolarHBondContact O-N 2.6Å | ||
| 1515 | D | 95.9 | Very high | 94.7 | Very high | 79 Ų | 79 | 50.1 Ų | 50.1 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | trans | -78.2 | 108.2 | 177.5 | 179.2 | 7.3 | 0 | 0 | 0 | 109.9 | E1484 N1517 A1518 | E1484-D1515 PolarHBondContact OE1-N 2.89Å; D1515-N1517 PolarHBondContact O-N 3.45Å; D1515-N1517 WeakPolarHBondContact OD1-CA 3.46Å; D1515-N1517 PolarHBondContact OD1-N 2.91Å; D1515-A1518 HydrophobicContact CB-CB 3.93Å; D1515-A1518 WeakPolarHBondContact O-CB 3.36Å; D1515-A1518 PolarHBondContact O-N 2.82Å; D1515-A1518 PolarHBondContact OD1-N 3.47Å; D1515-A1518 WeakPolarHBondContact OD2-CA 3.36Å; D1515-A1518 PolarHBondContact OD2-N 3.28Å | ||
| 1516 | V | 96.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 11% | 0.109 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -26 | 174.7 | 73.7 | 0 | 0 | 0 | 0 | 112.7 | L1510 A1514 L1544 K1547 | L1510-V1516 HydrophobicContact CD2-CB 3.7Å; L1510-V1516 HydrophobicContact CD2-CG2 4Å; A1514-V1516 PolarHBondContact O-N 2.6Å; V1516-L1544 HydrophobicContact CG2-CD2 3.7Å; V1516-K1547 HydrophobicContact CG2-CB 4.08Å |
| 1517 | N | 94.9 | Very high | 94.5 | Very high | 57 Ų | 57 | 52.3 Ų | 52.3 | 31% | 0.305 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 21.9 | 178.3 | -69.1 | -56.2 | 0 | 0 | 0 | 112.7 | D1515 G1548 G1549 V1550 | D1515-N1517 PolarHBondContact O-N 3.45Å; D1515-N1517 WeakPolarHBondContact OD1-CA 3.46Å; D1515-N1517 PolarHBondContact OD1-N 2.91Å; N1517-G1548 PolarHBondContact ND2-O 3.3Å; N1517-G1549 WeakPolarHBondContact OD1-CA 3.43Å; N1517-V1550 WeakPolarHBondContact OD1-CG2 3.46Å; N1517-V1550 PolarHBondContact OD1-N 3Å |
| 1518 | A | 93.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.033 | 28% | 0.281 | C | S | . | . | trans | -45.5 | 139.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1495 D1515 | M1495-A1518 HydrophobicContact CE-CB 4.15Å; M1495-A1518 WeakPolarHBondContact CE-O 3.42Å; D1515-A1518 HydrophobicContact CB-CB 3.93Å; D1515-A1518 WeakPolarHBondContact O-CB 3.36Å; D1515-A1518 PolarHBondContact O-N 2.82Å; D1515-A1518 PolarHBondContact OD1-N 3.47Å; D1515-A1518 WeakPolarHBondContact OD2-CA 3.36Å; D1515-A1518 PolarHBondContact OD2-N 3.28Å | ||
| 1519 | S | 91.6 | Very high | 94.5 | Very high | 84 Ų | 84 | 47.5 Ų | 47.5 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | trans | -40.2 | 125.6 | -174.7 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | R1486 | R1486-S1519 VanDerWaalsContact CZ-O 3.24Å; R1486-S1519 PolarHBondContact NH1-O 3.12Å; R1486-S1519 PolarHBondContact NH2-O 2.9Å | ||
| 1520 | P | 91.8 | Very high | 94.4 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 29% | 0.292 | 28% | 0.277 | S | S | . | . | trans | -59.4 | 153.6 | -172.1 | -23.5 | 30.5 | 0 | 0 | 0 | 114 | R1525 D1526 T1527 | P1520-R1525 HydrophobicContact CB-CB 4.26Å; P1520-R1525 WeakPolarHBondContact CB-O 3.42Å; P1520-D1526 CarbonylContact C-O 3.55Å; P1520-D1526 WeakPolarHBondContact CA-O 3.22Å; P1520-T1527 HydrophobicContact CB-CG2 4.26Å; P1520-T1527 HydrophobicContact CG-CG2 3.86Å | ||
| 1521 | V | 92.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | trans | -50.3 | 120.9 | 177.1 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | T1489 L1491 M1495 S1523 S1524 R1525 D1526 | T1489-V1521 WeakPolarHBondContact O-CG1 3.23Å; L1491-V1521 HydrophobicContact CD2-CG2 3.56Å; L1491-V1521 HydrophobicContact CG-CG2 4.27Å; M1495-V1521 HydrophobicContact SD-CG2 3.74Å; V1521-S1523 VanDerWaalsContact C-N 3.27Å; V1521-S1523 PolarHBondContact O-N 2.9Å; V1521-S1523 VanDerWaalsContact O-N 3.09Å; V1521-S1524 PolarHBondContact O-N 3.05Å; V1521-R1525 WeakPolarHBondContact O-CA 3.3Å; V1521-R1525 PolarHBondContact O-N 3.03Å; V1521-D1526 WeakPolarHBondContact CG2-O 3.21Å; V1521-D1526 PolarHBondContact N-O 3.47Å | ||
| 1522 | P | 90.1 | Very high | 94.5 | Very high | 104 Ų | 104 | 43.1 Ų | 43.1 | 68% | 0.675 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -29.2 | -167.5 | -28.6 | 36.4 | 0 | 0 | 0 | 115.5 | ||
| 1523 | S | 89.8 | Confident | 94.5 | Very high | 75 Ų | 75 | 38 Ų | 38 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -39.5 | -176.6 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | V1521 K1556 | V1521-S1523 VanDerWaalsContact C-N 3.27Å; V1521-S1523 PolarHBondContact O-N 2.9Å; V1521-S1523 VanDerWaalsContact O-N 3.09Å; S1523-K1556 WeakPolarHBondContact O-CD 3.46Å; S1523-K1556 PolarHBondContact O-NZ 3.4Å |
| 1524 | S | 91.8 | Very high | 94.5 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 25% | 0.252 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -16 | -170.8 | 67 | 0 | 0 | 0 | 0 | 114.6 | V1521 D1526 K1556 | V1521-S1524 PolarHBondContact O-N 3.05Å; S1524-D1526 VanDerWaalsContact C-N 3.28Å; S1524-D1526 WeakPolarHBondContact CB-OD2 3.42Å; S1524-D1526 PolarHBondContact O-N 2.98Å; S1524-D1526 PolarHBondContact OG-N 2.66Å; S1524-D1526 PolarHBondContact OG-OD2 2.69Å; S1524-K1556 WeakPolarHBondContact O-CB 3.39Å; S1524-K1556 PolarHBondContact O-N 3.34Å |
| 1525 | R | 94 | Very high | 94.5 | Very high | 145 Ų | 145 | 43.8 Ų | 43.8 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | trans | 59.1 | 27.2 | -171.3 | -64.1 | 180 | 51.7 | 156.3 | 0.1 | 115.3 | P1520 V1521 N1555 K1556 | P1520-R1525 HydrophobicContact CB-CB 4.26Å; P1520-R1525 WeakPolarHBondContact CB-O 3.42Å; V1521-R1525 WeakPolarHBondContact O-CA 3.3Å; V1521-R1525 PolarHBondContact O-N 3.03Å; R1525-N1555 WeakPolarHBondContact O-CA 3.49Å; R1525-K1556 HydrophobicContact CB-CB 4.37Å | ||
| 1526 | D | 94.2 | Very high | 94.5 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | trans | -76.9 | 138.8 | 171.9 | -55.5 | -61.1 | 0 | 0 | 0 | 110.7 | P1520 V1521 S1524 T1530 I1531 N1555 | P1520-D1526 CarbonylContact C-O 3.55Å; P1520-D1526 WeakPolarHBondContact CA-O 3.22Å; V1521-D1526 WeakPolarHBondContact CG2-O 3.21Å; V1521-D1526 PolarHBondContact N-O 3.47Å; S1524-D1526 VanDerWaalsContact C-N 3.28Å; S1524-D1526 WeakPolarHBondContact CB-OD2 3.42Å; S1524-D1526 PolarHBondContact O-N 2.98Å; S1524-D1526 PolarHBondContact OG-N 2.66Å; S1524-D1526 PolarHBondContact OG-OD2 2.69Å; D1526-T1530 VanDerWaalsContact CA-OG1 3.27Å; D1526-T1530 WeakPolarHBondContact CA-OG1 3.35Å; D1526-T1530 WeakPolarHBondContact CB-OG1 3.33Å; D1526-I1531 HydrophobicContact CB-CD1 4.41Å; D1526-I1531 HydrophobicContact CB-CG1 3.92Å; D1526-N1555 WeakPolarHBondContact OD1-CB 3.29Å; D1526-N1555 PolarHBondContact OD1-ND2 2.74Å | ||
| 1527 | T | 95.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | trans | -93.8 | 169.6 | 163.1 | 60.6 | 0 | 0 | 0 | 0 | 110.4 | P1520 L1529 T1530 I1531 A1553 | P1520-T1527 HydrophobicContact CB-CG2 4.26Å; P1520-T1527 HydrophobicContact CG-CG2 3.86Å; T1527-L1529 PolarHBondContact O-N 2.87Å; T1527-T1530 PolarHBondContact N-OG1 3.21Å; T1527-T1530 PolarHBondContact O-N 3.49Å; T1527-T1530 VanDerWaalsContact O-N 3.13Å; T1527-T1530 PolarHBondContact O-OG1 3.23Å; T1527-T1530 PolarHBondContact OG1-N 3.34Å; T1527-T1530 PolarHBondContact OG1-OG1 2.92Å; T1527-I1531 WeakPolarHBondContact O-CG1 3.32Å; T1527-I1531 PolarHBondContact O-N 3.14Å; T1527-A1553 HydrophobicContact CG2-CB 4.29Å | ||
| 1528 | A | 96.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -51 | -43.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1494 M1495 A1498 I1531 A1532 L1544 | L1494-A1528 HydrophobicContact CG-CB 4.4Å; M1495-A1528 HydrophobicContact CG-CB 4.16Å; A1498-A1528 HydrophobicContact CB-CB 4.02Å; A1528-I1531 PolarHBondContact O-N 2.95Å; A1528-A1532 PolarHBondContact O-N 3.33Å; A1528-L1544 HydrophobicContact CB-CD1 3.86Å; A1528-L1544 HydrophobicContact CB-CD2 4.17Å |
| 1529 | L | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 179.4 | -175.5 | 62.8 | 0 | 0 | 0 | 112.8 | T1527 A1533 V1541 L1544 L1545 P1561 | T1527-L1529 PolarHBondContact O-N 2.87Å; L1529-A1533 WeakPolarHBondContact O-CB 3.5Å; L1529-A1533 PolarHBondContact O-N 3.35Å; L1529-V1541 HydrophobicContact CD1-CB 4.5Å; L1529-V1541 HydrophobicContact CD1-CG1 4.04Å; L1529-V1541 HydrophobicContact CD1-CG2 4.4Å; L1529-L1544 HydrophobicContact CB-CD1 4.18Å; L1529-L1544 HydrophobicContact CD1-CB 4.08Å; L1529-L1544 HydrophobicContact CD1-CD1 4.36Å; L1529-L1545 HydrophobicContact CD1-CD2 4.21Å; L1529-L1545 HydrophobicContact CD1-CG 4.17Å; L1529-L1545 HydrophobicContact CD2-CD2 3.96Å; L1529-P1561 HydrophobicContact CD2-CB 4.49Å; L1529-P1561 HydrophobicContact CD2-CG 3.9Å; L1529-P1561 HydrophobicContact CG-CB 4.18Å; L1529-P1561 HydrophobicContact CG-CG 3.79Å |
| 1530 | T | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.6 | -29.9 | 173.8 | 48.5 | 0 | 0 | 0 | 0 | 113 | D1526 T1527 D1534 P1561 L1564 | D1526-T1530 VanDerWaalsContact CA-OG1 3.27Å; D1526-T1530 WeakPolarHBondContact CA-OG1 3.35Å; D1526-T1530 WeakPolarHBondContact CB-OG1 3.33Å; T1527-T1530 PolarHBondContact N-OG1 3.21Å; T1527-T1530 PolarHBondContact O-N 3.49Å; T1527-T1530 VanDerWaalsContact O-N 3.13Å; T1527-T1530 PolarHBondContact O-OG1 3.23Å; T1527-T1530 PolarHBondContact OG1-N 3.34Å; T1527-T1530 PolarHBondContact OG1-OG1 2.92Å; T1530-D1534 WeakPolarHBondContact O-CB 3.32Å; T1530-D1534 PolarHBondContact O-N 2.87Å; T1530-P1561 HydrophobicContact CG2-CG 3.81Å; T1530-L1564 HydrophobicContact CG2-CD1 3.82Å |
| 1531 | I | 96 | Very high | 95.2 | Very high | 21 Ų | 21 | 40 Ų | 40 | 11% | 0.108 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -54.7 | 175 | -68.7 | 165.1 | 0 | 0 | 0 | 109.3 | L1491 M1495 D1526 T1527 A1528 A1533 D1534 K1535 | L1491-I1531 HydrophobicContact CD2-CD1 3.63Å; M1495-I1531 HydrophobicContact CB-CD1 3.85Å; M1495-I1531 HydrophobicContact CG-CD1 4.19Å; D1526-I1531 HydrophobicContact CB-CD1 4.41Å; D1526-I1531 HydrophobicContact CB-CG1 3.92Å; T1527-I1531 WeakPolarHBondContact O-CG1 3.32Å; T1527-I1531 PolarHBondContact O-N 3.14Å; A1528-I1531 PolarHBondContact O-N 2.95Å; I1531-A1533 VanDerWaalsContact C-N 3.27Å; I1531-A1533 PolarHBondContact O-N 3.07Å; I1531-D1534 PolarHBondContact O-N 3.49Å; I1531-K1535 HydrophobicContact CG2-CG 4.49Å; I1531-K1535 WeakPolarHBondContact O-CB 3.03Å; I1531-K1535 VanDerWaalsContact O-CG 3.25Å; I1531-K1535 WeakPolarHBondContact O-CG 3.23Å; I1531-K1535 PolarHBondContact O-N 2.91Å |
| 1532 | A | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -39.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1498 A1528 K1535 G1536 N1537 F1540 V1541 L1544 | A1498-A1532 HydrophobicContact CB-CB 4.4Å; A1528-A1532 PolarHBondContact O-N 3.33Å; A1532-K1535 PolarHBondContact O-N 3.26Å; A1532-G1536 PolarHBondContact O-N 3.06Å; A1532-N1537 HydrophobicContact CB-CB 4.15Å; A1532-N1537 PolarHBondContact O-N 3.39Å; A1532-F1540 HydrophobicContact CB-CB 4.49Å; A1532-F1540 HydrophobicContact CB-CD1 4.5Å; A1532-V1541 HydrophobicContact CB-CG2 3.61Å; A1532-L1544 HydrophobicContact CB-CD1 4.34Å |
| 1533 | A | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76.4 | -22.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1529 I1531 V1541 P1561 A1565 H1570 V1573 L1577 | L1529-A1533 WeakPolarHBondContact O-CB 3.5Å; L1529-A1533 PolarHBondContact O-N 3.35Å; I1531-A1533 VanDerWaalsContact C-N 3.27Å; I1531-A1533 PolarHBondContact O-N 3.07Å; A1533-V1541 HydrophobicContact CB-CG2 4.31Å; A1533-P1561 HydrophobicContact CB-CB 3.76Å; A1533-A1565 WeakPolarHBondContact O-CA 3.02Å; A1533-A1565 PolarHBondContact O-N 2.51Å; A1533-H1570 PolarHBondContact O-CD2 3.32Å; A1533-V1573 HydrophobicContact CB-CG1 3.99Å; A1533-L1577 HydrophobicContact CB-CD1 4.37Å |
| 1534 | D | 96 | Very high | 96.1 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 42% | 0.417 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -78.9 | -34.3 | 169.4 | -165 | 60.4 | 0 | 0 | 0 | 110.9 | T1530 I1531 L1564 H1570 | T1530-D1534 WeakPolarHBondContact O-CB 3.32Å; T1530-D1534 PolarHBondContact O-N 2.87Å; I1531-D1534 PolarHBondContact O-N 3.49Å; D1534-L1564 HydrophobicContact CB-CB 4.16Å; D1534-L1564 HydrophobicContact CB-CD1 4.41Å; D1534-L1564 HydrophobicContact CB-CD2 4.45Å; D1534-H1570 PolarHBondContact O-NE2 3.5Å |
| 1535 | K | 95.4 | Very high | 96.3 | Very high | 112 Ų | 112 | 32.3 Ų | 32.3 | 49% | 0.487 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -72.5 | -38.8 | 177.3 | -67.1 | -72.2 | -178.2 | 161.1 | 0 | 113.8 | S1499 I1531 A1532 N1537 H1570 | S1499-K1535 VanDerWaalsContact OG-CE 3.25Å; S1499-K1535 WeakPolarHBondContact OG-CE 3.16Å; S1499-K1535 PolarHBondContact OG-NZ 3.31Å; I1531-K1535 HydrophobicContact CG2-CG 4.49Å; I1531-K1535 WeakPolarHBondContact O-CB 3.03Å; I1531-K1535 VanDerWaalsContact O-CG 3.25Å; I1531-K1535 WeakPolarHBondContact O-CG 3.23Å; I1531-K1535 PolarHBondContact O-N 2.91Å; A1532-K1535 PolarHBondContact O-N 3.26Å; K1535-N1537 WeakPolarHBondContact CB-OD1 3.21Å; K1535-H1570 VanDerWaalsContact C-NE2 3.33Å; K1535-H1570 PolarHBondContact O-CE1 3.49Å; K1535-H1570 VanDerWaalsContact O-CE1 3.31Å; K1535-H1570 PolarHBondContact O-NE2 3.27Å |
| 1536 | G | 95.6 | Very high | 96.4 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 24% | 0.237 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.7 | 12.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1532 A1538 H1570 | A1532-G1536 PolarHBondContact O-N 3.06Å; G1536-A1538 VanDerWaalsContact C-N 3.29Å; G1536-A1538 PolarHBondContact O-N 2.84Å; G1536-H1570 WeakPolarHBondContact CA-CD2 3.33Å; G1536-H1570 VanDerWaalsContact CA-CG 3.43Å; G1536-H1570 WeakPolarHBondContact CA-NE2 3.44Å; G1536-H1570 PolarHBondContact N-CD2 3.09Å; G1536-H1570 PolarHBondContact N-NE2 3.26Å |
| 1537 | N | 96.7 | Very high | 96.4 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 13% | 0.128 | 17% | 0.167 | C | C | . | . | trans | -76.3 | 73.7 | -169.1 | -64.3 | 0.5 | 0 | 0 | 0 | 110.6 | A1498 S1499 D1501 A1532 K1535 K1539 F1540 V1541 | A1498-N1537 PolarHBondContact O-ND2 3.35Å; S1499-N1537 PolarHBondContact O-ND2 3.07Å; D1501-N1537 HydrophobicContact CB-CB 3.86Å; D1501-N1537 PolarHBondContact N-ND2 3.29Å; D1501-N1537 WeakPolarHBondContact OD1-CB 3.46Å; A1532-N1537 HydrophobicContact CB-CB 4.15Å; A1532-N1537 PolarHBondContact O-N 3.39Å; K1535-N1537 WeakPolarHBondContact CB-OD1 3.21Å; N1537-K1539 VanDerWaalsContact C-N 3.35Å; N1537-K1539 PolarHBondContact O-N 3.33Å; N1537-F1540 HydrophobicContact CB-CB 4.22Å; N1537-F1540 PolarHBondContact O-N 3.05Å; N1537-V1541 WeakPolarHBondContact O-CG2 3.03Å; N1537-V1541 PolarHBondContact O-N 3.31Å | ||
| 1538 | A | 95.3 | Very high | 96.4 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -37.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1536 V1541 N1542 E1572 V1573 | G1536-A1538 VanDerWaalsContact C-N 3.29Å; G1536-A1538 PolarHBondContact O-N 2.84Å; A1538-V1541 PolarHBondContact O-N 3.12Å; A1538-N1542 PolarHBondContact O-N 3.02Å; A1538-E1572 HydrophobicContact CB-CB 4.07Å; A1538-V1573 HydrophobicContact CB-CG2 3.89Å |
| 1539 | K | 96.1 | Very high | 96.3 | Very high | 148 Ų | 148 | 35.3 Ų | 35.3 | 64% | 0.643 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -67.2 | -45.9 | 177.2 | -61.4 | 178.9 | -178.9 | 176.9 | 0 | 111 | V1503 N1537 V1541 N1542 L1543 | V1503-K1539 HydrophobicContact CG2-CB 3.51Å; V1503-K1539 HydrophobicContact CG2-CD 4.39Å; N1537-K1539 VanDerWaalsContact C-N 3.35Å; N1537-K1539 PolarHBondContact O-N 3.33Å; K1539-V1541 VanDerWaalsContact C-N 3.35Å; K1539-V1541 PolarHBondContact O-N 3.35Å; K1539-N1542 PolarHBondContact O-N 2.77Å; K1539-L1543 PolarHBondContact O-N 3.21Å |
| 1540 | F | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.9 | -34.6 | 174.8 | -148 | -72.8 | 0 | 0 | 0 | 112.8 | L1494 A1497 A1498 D1501 Y1502 A1532 N1537 L1543 L1544 | L1494-F1540 HydrophobicContact CD1-CE1 4.2Å; L1494-F1540 HydrophobicContact CD1-CZ 3.94Å; A1497-F1540 VanDerWaalsContact C-CE2 3.47Å; A1497-F1540 HydrophobicContact CB-CE2 3.8Å; A1497-F1540 HydrophobicContact CB-CZ 3.85Å; A1497-F1540 WeakPolarHBondContact O-CE2 3.46Å; A1498-F1540 HydrophobicContact CB-CD1 3.77Å; A1498-F1540 HydrophobicContact CB-CE1 3.47Å; A1498-F1540 VanDerWaalsContact CB-CE1 3.47Å; A1498-F1540 HydrophobicContact CB-CZ 3.97Å; D1501-F1540 VanDerWaalsContact OD1-CB 3.29Å; D1501-F1540 WeakPolarHBondContact OD1-CB 2.93Å; D1501-F1540 PolarHBondContact OD1-N 3.12Å; Y1502-F1540 WeakPolarHBondContact O-CE2 3.15Å; A1532-F1540 HydrophobicContact CB-CB 4.49Å; A1532-F1540 HydrophobicContact CB-CD1 4.5Å; N1537-F1540 HydrophobicContact CB-CB 4.22Å; N1537-F1540 PolarHBondContact O-N 3.05Å; F1540-L1543 PolarHBondContact O-N 3.36Å; F1540-L1544 HydrophobicContact CD1-CD1 3.63Å; F1540-L1544 HydrophobicContact CD1-CD2 4.43Å; F1540-L1544 HydrophobicContact CD1-CG 3.73Å; F1540-L1544 HydrophobicContact CE1-CD1 3.84Å; F1540-L1544 HydrophobicContact CE1-CD2 4Å; F1540-L1544 HydrophobicContact CE1-CG 3.81Å; F1540-L1544 WeakPolarHBondContact O-CB 3.49Å; F1540-L1544 WeakPolarHBondContact O-CG 3.22Å; F1540-L1544 PolarHBondContact O-N 2.93Å |
| 1541 | V | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 172.3 | 165.7 | 0 | 0 | 0 | 0 | 110.8 | L1529 A1532 A1533 N1537 A1538 K1539 L1544 L1545 V1573 L1577 | L1529-V1541 HydrophobicContact CD1-CB 4.5Å; L1529-V1541 HydrophobicContact CD1-CG1 4.04Å; L1529-V1541 HydrophobicContact CD1-CG2 4.4Å; A1532-V1541 HydrophobicContact CB-CG2 3.61Å; A1533-V1541 HydrophobicContact CB-CG2 4.31Å; N1537-V1541 WeakPolarHBondContact O-CG2 3.03Å; N1537-V1541 PolarHBondContact O-N 3.31Å; A1538-V1541 PolarHBondContact O-N 3.12Å; K1539-V1541 VanDerWaalsContact C-N 3.35Å; K1539-V1541 PolarHBondContact O-N 3.35Å; V1541-L1544 PolarHBondContact O-N 2.88Å; V1541-L1545 HydrophobicContact CG1-CD1 3.63Å; V1541-L1545 HydrophobicContact CG1-CG 4.28Å; V1541-L1545 VanDerWaalsContact O-CG 3.25Å; V1541-L1545 WeakPolarHBondContact O-CG 3.12Å; V1541-L1545 PolarHBondContact O-N 2.77Å; V1541-V1573 HydrophobicContact CG1-CG1 4.28Å; V1541-V1573 HydrophobicContact CG2-CG1 4.09Å; V1541-V1573 HydrophobicContact CG2-CG2 4.46Å; V1541-L1577 HydrophobicContact CG1-CD2 4.47Å; V1541-L1577 HydrophobicContact CG1-CG 4.45Å |
| 1542 | N | 96.7 | Very high | 96.1 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 178.4 | -69.5 | -11.5 | 0 | 0 | 0 | 111.4 | A1538 K1539 L1544 L1545 E1546 S1576 | A1538-N1542 PolarHBondContact O-N 3.02Å; K1539-N1542 PolarHBondContact O-N 2.77Å; N1542-L1544 VanDerWaalsContact C-N 3.31Å; N1542-L1544 PolarHBondContact O-N 2.9Å; N1542-L1545 PolarHBondContact O-N 2.91Å; N1542-L1545 VanDerWaalsContact O-N 3.09Å; N1542-E1546 WeakPolarHBondContact O-CB 3.35Å; N1542-E1546 VanDerWaalsContact O-CG 3.29Å; N1542-E1546 WeakPolarHBondContact O-CG 3.4Å; N1542-E1546 PolarHBondContact O-N 3.01Å; N1542-S1576 WeakPolarHBondContact OD1-CB 3.43Å; N1542-S1576 PolarHBondContact OD1-OG 3.36Å |
| 1543 | L | 97.3 | Very high | 96 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.5 | -44.5 | 174.7 | 173.8 | 65.2 | 0 | 0 | 0 | 112.5 | V1503 R1507 L1510 K1539 F1540 K1547 | V1503-L1543 HydrophobicContact CG1-CD2 4.04Å; V1503-L1543 WeakPolarHBondContact O-CD2 2.77Å; R1507-L1543 HydrophobicContact CB-CD2 4.36Å; L1510-L1543 HydrophobicContact CD1-CD1 4.39Å; L1510-L1543 HydrophobicContact CD1-CD2 4.24Å; L1510-L1543 HydrophobicContact CD1-CG 4.04Å; K1539-L1543 PolarHBondContact O-N 3.21Å; F1540-L1543 PolarHBondContact O-N 3.36Å; L1543-K1547 HydrophobicContact CD1-CG 4.11Å; L1543-K1547 WeakPolarHBondContact O-CB 3.3Å; L1543-K1547 WeakPolarHBondContact O-CG 3.15Å; L1543-K1547 PolarHBondContact O-N 2.88Å; L1543-K1547 VanDerWaalsContact O-N 3.08Å |
| 1544 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.5 | -36.8 | 177.6 | -72.9 | 174.5 | 0 | 0 | 0 | 112.5 | L1494 L1510 V1516 A1528 L1529 A1532 F1540 V1541 N1542 G1548 G1549 | L1494-L1544 HydrophobicContact CD2-CD2 4.35Å; L1510-L1544 HydrophobicContact CD1-CD2 4.29Å; V1516-L1544 HydrophobicContact CG2-CD2 3.7Å; A1528-L1544 HydrophobicContact CB-CD1 3.86Å; A1528-L1544 HydrophobicContact CB-CD2 4.17Å; L1529-L1544 HydrophobicContact CB-CD1 4.18Å; L1529-L1544 HydrophobicContact CD1-CB 4.08Å; L1529-L1544 HydrophobicContact CD1-CD1 4.36Å; A1532-L1544 HydrophobicContact CB-CD1 4.34Å; F1540-L1544 HydrophobicContact CD1-CD1 3.63Å; F1540-L1544 HydrophobicContact CD1-CD2 4.43Å; F1540-L1544 HydrophobicContact CD1-CG 3.73Å; F1540-L1544 HydrophobicContact CE1-CD1 3.84Å; F1540-L1544 HydrophobicContact CE1-CD2 4Å; F1540-L1544 HydrophobicContact CE1-CG 3.81Å; F1540-L1544 WeakPolarHBondContact O-CB 3.49Å; F1540-L1544 WeakPolarHBondContact O-CG 3.22Å; F1540-L1544 PolarHBondContact O-N 2.93Å; V1541-L1544 PolarHBondContact O-N 2.88Å; N1542-L1544 VanDerWaalsContact C-N 3.31Å; N1542-L1544 PolarHBondContact O-N 2.9Å; L1544-G1548 PolarHBondContact O-N 3.3Å; L1544-G1549 WeakPolarHBondContact O-CA 3.25Å; L1544-G1549 PolarHBondContact O-N 2.75Å |
| 1545 | L | 96.4 | Very high | 95.7 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.2 | -46.2 | 177.4 | -69.3 | 168 | 0 | 0 | 0 | 111.5 | L1529 V1541 N1542 K1547 G1548 V1551 L1577 Y1580 | L1529-L1545 HydrophobicContact CD1-CD2 4.21Å; L1529-L1545 HydrophobicContact CD1-CG 4.17Å; L1529-L1545 HydrophobicContact CD2-CD2 3.96Å; V1541-L1545 HydrophobicContact CG1-CD1 3.63Å; V1541-L1545 HydrophobicContact CG1-CG 4.28Å; V1541-L1545 VanDerWaalsContact O-CG 3.25Å; V1541-L1545 WeakPolarHBondContact O-CG 3.12Å; V1541-L1545 PolarHBondContact O-N 2.77Å; N1542-L1545 PolarHBondContact O-N 2.91Å; N1542-L1545 VanDerWaalsContact O-N 3.09Å; L1545-K1547 VanDerWaalsContact C-N 3.26Å; L1545-K1547 PolarHBondContact O-N 3.18Å; L1545-G1548 PolarHBondContact O-N 3.11Å; L1545-V1551 HydrophobicContact CD2-CG2 3.8Å; L1545-L1577 HydrophobicContact CD1-CD2 3.97Å; L1545-L1577 HydrophobicContact CD2-CD2 4.02Å; L1545-Y1580 HydrophobicContact CB-CD1 3.95Å; L1545-Y1580 HydrophobicContact CB-CD2 3.96Å; L1545-Y1580 HydrophobicContact CB-CE1 3.92Å; L1545-Y1580 HydrophobicContact CB-CE2 3.93Å; L1545-Y1580 HydrophobicContact CB-CG 3.97Å; L1545-Y1580 HydrophobicContact CD1-CD2 3.7Å; L1545-Y1580 HydrophobicContact CD1-CE2 4.23Å; L1545-Y1580 HydrophobicContact CD1-CG 4.02Å; L1545-Y1580 HydrophobicContact CD2-CG 4.25Å; L1545-Y1580 HydrophobicContact CG-CD2 4.33Å; L1545-Y1580 HydrophobicContact CG-CG 4.3Å |
| 1546 | E | 95.3 | Very high | 95.7 | Very high | 122 Ų | 122 | 45.5 Ų | 45.5 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -56.5 | -39.3 | 174.2 | -72.7 | 164.9 | -160.3 | 0 | 0 | 112.1 | N1542 G1548 Y1580 | N1542-E1546 WeakPolarHBondContact O-CB 3.35Å; N1542-E1546 VanDerWaalsContact O-CG 3.29Å; N1542-E1546 WeakPolarHBondContact O-CG 3.4Å; N1542-E1546 PolarHBondContact O-N 3.01Å; E1546-G1548 VanDerWaalsContact C-N 3.29Å; E1546-G1548 PolarHBondContact O-N 3.36Å; E1546-Y1580 WeakPolarHBondContact CG-OH 3.27Å |
| 1547 | K | 95.9 | Very high | 95.5 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 38% | 0.378 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 5.5 | 179.1 | -64 | -82.5 | -175.4 | 176.3 | 0 | 113.8 | L1510 D1511 V1516 L1543 L1545 | L1510-K1547 HydrophobicContact CB-CD 4.45Å; L1510-K1547 HydrophobicContact CD1-CB 4.25Å; L1510-K1547 HydrophobicContact CD1-CG 4Å; D1511-K1547 IonicContact OD1-NZ 2.98Å; D1511-K1547 PolarHBondContact OD1-NZ 3.35Å; V1516-K1547 HydrophobicContact CG2-CB 4.08Å; L1543-K1547 HydrophobicContact CD1-CG 4.11Å; L1543-K1547 WeakPolarHBondContact O-CB 3.3Å; L1543-K1547 WeakPolarHBondContact O-CG 3.15Å; L1543-K1547 PolarHBondContact O-N 2.88Å; L1543-K1547 VanDerWaalsContact O-N 3.08Å; L1545-K1547 VanDerWaalsContact C-N 3.26Å; L1545-K1547 PolarHBondContact O-N 3.18Å |
| 1548 | G | 94.4 | Very high | 95.4 | Very high | 44 Ų | 44 | 50 Ų | 50 | 45% | 0.454 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | 25.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | N1517 L1544 L1545 E1546 | N1517-G1548 PolarHBondContact ND2-O 3.3Å; L1544-G1548 PolarHBondContact O-N 3.3Å; L1545-G1548 PolarHBondContact O-N 3.11Å; E1546-G1548 VanDerWaalsContact C-N 3.29Å; E1546-G1548 PolarHBondContact O-N 3.36Å |
| 1549 | G | 94.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 6% | 0.062 | 25% | 0.246 | C | C | . | . | trans | -62.2 | 133 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1517 L1544 V1551 | N1517-G1549 WeakPolarHBondContact OD1-CA 3.43Å; L1544-G1549 WeakPolarHBondContact O-CA 3.25Å; L1544-G1549 PolarHBondContact O-N 2.75Å; G1549-V1551 PolarHBondContact O-N 3.36Å | ||
| 1550 | V | 95.3 | Very high | 95.5 | Very high | 78 Ų | 78 | 42.4 Ų | 42.4 | 47% | 0.473 | 22% | 0.215 | S | C | . | . | trans | -69.1 | 102 | -175.2 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | N1517 E1552 A1553 | N1517-V1550 WeakPolarHBondContact OD1-CG2 3.46Å; N1517-V1550 PolarHBondContact OD1-N 3Å; V1550-E1552 VanDerWaalsContact C-N 3.26Å; V1550-E1552 PolarHBondContact O-N 2.56Å; V1550-A1553 HydrophobicContact CB-CB 4.48Å; V1550-A1553 HydrophobicContact CG1-CB 4.4Å; V1550-A1553 WeakPolarHBondContact O-CB 3.36Å; V1550-A1553 PolarHBondContact O-N 3.41Å | ||
| 1551 | V | 95.7 | Very high | 95.4 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -40.1 | -177.9 | -166.9 | 0 | 0 | 0 | 0 | 113.3 | L1545 G1549 A1553 P1561 L1577 A1582 | L1545-V1551 HydrophobicContact CD2-CG2 3.8Å; G1549-V1551 PolarHBondContact O-N 3.36Å; V1551-A1553 VanDerWaalsContact C-N 3.35Å; V1551-P1561 VanDerWaalsContact O-CD 3.31Å; V1551-P1561 WeakPolarHBondContact O-CD 3.45Å; V1551-P1561 WeakPolarHBondContact O-CG 3.32Å; V1551-L1577 HydrophobicContact CG1-CD2 4.12Å; V1551-A1582 HydrophobicContact CG1-CB 3.59Å |
| 1552 | E | 94.8 | Very high | 95.4 | Very high | 65 Ų | 65 | 42.5 Ų | 42.5 | 30% | 0.304 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 23.5 | 180 | -77.3 | -67.9 | 133.3 | 0 | 0 | 113.4 | V1550 R1554 T1560 D1583 S1586 | V1550-E1552 VanDerWaalsContact C-N 3.26Å; V1550-E1552 PolarHBondContact O-N 2.56Å; E1552-R1554 IonicContact OE2-CZ 2.68Å; E1552-R1554 IonicContact OE2-NE 3.11Å; E1552-R1554 IonicContact OE2-NH2 3.32Å; E1552-R1554 PolarHBondContact OE2-NH2 3.03Å; E1552-T1560 WeakPolarHBondContact OE2-CG2 3.4Å; E1552-D1583 PolarHBondContact OE1-N 3.5Å; E1552-S1586 PolarHBondContact OE2-OG 3.27Å |
| 1553 | A | 93.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | trans | -57.6 | 143.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1527 V1550 V1551 T1560 P1561 | T1527-A1553 HydrophobicContact CG2-CB 4.29Å; V1550-A1553 HydrophobicContact CB-CB 4.48Å; V1550-A1553 HydrophobicContact CG1-CB 4.4Å; V1550-A1553 WeakPolarHBondContact O-CB 3.36Å; V1550-A1553 PolarHBondContact O-N 3.41Å; V1551-A1553 VanDerWaalsContact C-N 3.35Å; A1553-T1560 WeakPolarHBondContact O-CA 3.49Å; A1553-P1561 VanDerWaalsContact O-CD 3.23Å; A1553-P1561 WeakPolarHBondContact O-CD 3.44Å | ||
| 1554 | R | 94.1 | Very high | 95.4 | Very high | 94 Ų | 94 | 41.3 Ų | 41.3 | 36% | 0.355 | 21% | 0.207 | S | C | . | . | trans | -132.5 | 124.2 | -176.1 | -71.2 | 175.4 | -170.6 | -96.5 | -3 | 112.8 | E1552 G1558 A1559 T1560 S1586 Q1587 | E1552-R1554 IonicContact OE2-CZ 2.68Å; E1552-R1554 IonicContact OE2-NE 3.11Å; E1552-R1554 IonicContact OE2-NH2 3.32Å; E1552-R1554 PolarHBondContact OE2-NH2 3.03Å; R1554-G1558 PolarHBondContact NH1-O 3.27Å; R1554-A1559 WeakPolarHBondContact CA-O 3.28Å; R1554-T1560 HydrophobicContact CG-CG2 3.78Å; R1554-S1586 PolarHBondContact NH2-OG 3.2Å; R1554-Q1587 PolarHBondContact NH1-O 2.97Å | ||
| 1555 | N | 94.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | trans | -77.5 | -178.4 | 173.8 | 77.7 | 12 | 0 | 0 | 0 | 112.5 | R1525 D1526 K1557 G1558 A1559 | R1525-N1555 WeakPolarHBondContact O-CA 3.49Å; D1526-N1555 WeakPolarHBondContact OD1-CB 3.29Å; D1526-N1555 PolarHBondContact OD1-ND2 2.74Å; N1555-K1557 PolarHBondContact O-N 3.25Å; N1555-K1557 VanDerWaalsContact O-N 3.09Å; N1555-K1557 WeakPolarHBondContact OD1-CB 3.03Å; N1555-K1557 PolarHBondContact OD1-N 2.85Å; N1555-G1558 WeakPolarHBondContact O-CA 3.47Å; N1555-G1558 PolarHBondContact O-N 2.91Å; N1555-A1559 PolarHBondContact N-O 3.04Å | ||
| 1556 | K | 94.2 | Very high | 95.4 | Very high | 139 Ų | 139 | 41 Ų | 41 | 60% | 0.604 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.3 | -175.2 | -173.2 | 176.1 | -172.8 | 179 | 0 | 113.8 | S1523 S1524 R1525 N1589 | S1523-K1556 WeakPolarHBondContact O-CD 3.46Å; S1523-K1556 PolarHBondContact O-NZ 3.4Å; S1524-K1556 WeakPolarHBondContact O-CB 3.39Å; S1524-K1556 PolarHBondContact O-N 3.34Å; R1525-K1556 HydrophobicContact CB-CB 4.37Å; K1556-N1589 PolarHBondContact O-ND2 2.95Å |
| 1557 | K | 93.1 | Very high | 95.3 | Very high | 137 Ų | 137 | 36.9 Ų | 36.9 | 60% | 0.596 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -5.5 | 173.1 | -58.3 | 166.3 | -172.7 | 158.1 | 0 | 112.4 | N1555 N1589 | N1555-K1557 PolarHBondContact O-N 3.25Å; N1555-K1557 VanDerWaalsContact O-N 3.09Å; N1555-K1557 WeakPolarHBondContact OD1-CB 3.03Å; N1555-K1557 PolarHBondContact OD1-N 2.85Å; K1557-N1589 VanDerWaalsContact C-ND2 3.28Å; K1557-N1589 VanDerWaalsContact O-CB 3.25Å; K1557-N1589 WeakPolarHBondContact O-CB 3.32Å; K1557-N1589 VanDerWaalsContact O-CG 3.25Å; K1557-N1589 PolarHBondContact O-N 2.82Å; K1557-N1589 PolarHBondContact O-ND2 3.12Å |
| 1558 | G | 93.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | trans | 81 | 0.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1554 N1555 N1589 | R1554-G1558 PolarHBondContact NH1-O 3.27Å; N1555-G1558 WeakPolarHBondContact O-CA 3.47Å; N1555-G1558 PolarHBondContact O-N 2.91Å; G1558-N1589 WeakPolarHBondContact CA-OD1 3.43Å; G1558-N1589 PolarHBondContact N-ND2 3.32Å | ||
| 1559 | A | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -73.5 | 138.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1554 N1555 W1563 L1564 | R1554-A1559 WeakPolarHBondContact CA-O 3.28Å; N1555-A1559 PolarHBondContact N-O 3.04Å; A1559-W1563 HydrophobicContact CB-CB 4.18Å; A1559-W1563 HydrophobicContact CB-CD2 3.79Å; A1559-W1563 HydrophobicContact CB-CE3 3.45Å; A1559-W1563 VanDerWaalsContact CB-CE3 3.45Å; A1559-W1563 HydrophobicContact CB-CG 4.12Å; A1559-W1563 HydrophobicContact CB-CZ3 4.12Å; A1559-L1564 HydrophobicContact CB-CD2 3.92Å; A1559-L1564 HydrophobicContact CB-CG 4.06Å | ||
| 1560 | T | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -88.7 | 164.2 | 171 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | E1552 A1553 R1554 L1562 W1563 L1564 | E1552-T1560 WeakPolarHBondContact OE2-CG2 3.4Å; A1553-T1560 WeakPolarHBondContact O-CA 3.49Å; R1554-T1560 HydrophobicContact CG-CG2 3.78Å; T1560-L1562 PolarHBondContact O-N 3.1Å; T1560-W1563 WeakPolarHBondContact O-CB 3.16Å; T1560-W1563 PolarHBondContact O-N 3.5Å; T1560-W1563 PolarHBondContact OG1-N 2.77Å; T1560-L1564 WeakPolarHBondContact O-CG 3.35Å; T1560-L1564 PolarHBondContact O-N 2.99Å | ||
| 1561 | P | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -44.3 | -46 | 166.4 | -31 | 35.3 | 0 | 0 | 0 | 113 | L1529 T1530 A1533 V1551 A1553 W1563 L1564 A1565 L1577 | L1529-P1561 HydrophobicContact CD2-CB 4.49Å; L1529-P1561 HydrophobicContact CD2-CG 3.9Å; L1529-P1561 HydrophobicContact CG-CB 4.18Å; L1529-P1561 HydrophobicContact CG-CG 3.79Å; T1530-P1561 HydrophobicContact CG2-CG 3.81Å; A1533-P1561 HydrophobicContact CB-CB 3.76Å; V1551-P1561 VanDerWaalsContact O-CD 3.31Å; V1551-P1561 WeakPolarHBondContact O-CD 3.45Å; V1551-P1561 WeakPolarHBondContact O-CG 3.32Å; A1553-P1561 VanDerWaalsContact O-CD 3.23Å; A1553-P1561 WeakPolarHBondContact O-CD 3.44Å; P1561-W1563 VanDerWaalsContact C-N 3.35Å; P1561-W1563 PolarHBondContact O-N 2.69Å; P1561-L1564 PolarHBondContact O-N 3.05Å; P1561-A1565 WeakPolarHBondContact O-CB 3.41Å; P1561-A1565 PolarHBondContact O-N 2.85Å; P1561-L1577 HydrophobicContact CB-CD1 3.72Å; P1561-L1577 HydrophobicContact CB-CD2 3.92Å |
| 1562 | L | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.2 | -38.3 | -179.9 | -175 | 69 | 0 | 0 | 0 | 112 | T1560 S1566 V1574 L1577 I1578 A1582 V1584 | T1560-L1562 PolarHBondContact O-N 3.1Å; L1562-S1566 WeakPolarHBondContact O-CB 3.32Å; L1562-S1566 PolarHBondContact O-N 3.43Å; L1562-S1566 PolarHBondContact O-OG 3.36Å; L1562-V1574 HydrophobicContact CD1-CB 4.33Å; L1562-V1574 HydrophobicContact CD1-CG1 3.93Å; L1562-V1574 HydrophobicContact CD1-CG2 4.39Å; L1562-L1577 HydrophobicContact CB-CB 4.41Å; L1562-L1577 HydrophobicContact CB-CD1 4.32Å; L1562-L1577 HydrophobicContact CD1-CB 3.86Å; L1562-L1577 HydrophobicContact CD1-CD1 4.5Å; L1562-I1578 HydrophobicContact CD1-CG1 4.09Å; L1562-A1582 HydrophobicContact CB-CB 3.99Å; L1562-A1582 HydrophobicContact CD2-CB 3.86Å; L1562-A1582 HydrophobicContact CG-CB 4.37Å; L1562-V1584 HydrophobicContact CD2-CB 4.47Å; L1562-V1584 HydrophobicContact CD2-CG1 4.11Å |
| 1563 | W | 96.5 | Very high | 95.4 | Very high | 26 Ų | 26 | 33.7 Ų | 33.7 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 175.6 | -168.8 | 101.5 | 0 | 0 | 0 | 111.8 | A1559 T1560 P1561 S1566 N1567 D1588 V1592 A1597 | A1559-W1563 HydrophobicContact CB-CB 4.18Å; A1559-W1563 HydrophobicContact CB-CD2 3.79Å; A1559-W1563 HydrophobicContact CB-CE3 3.45Å; A1559-W1563 VanDerWaalsContact CB-CE3 3.45Å; A1559-W1563 HydrophobicContact CB-CG 4.12Å; A1559-W1563 HydrophobicContact CB-CZ3 4.12Å; T1560-W1563 WeakPolarHBondContact O-CB 3.16Å; T1560-W1563 PolarHBondContact O-N 3.5Å; T1560-W1563 PolarHBondContact OG1-N 2.77Å; P1561-W1563 VanDerWaalsContact C-N 3.35Å; P1561-W1563 PolarHBondContact O-N 2.69Å; W1563-S1566 PolarHBondContact O-N 2.85Å; W1563-N1567 HydrophobicContact CE3-CB 4Å; W1563-N1567 HydrophobicContact CH2-CB 4.34Å; W1563-N1567 HydrophobicContact CZ3-CB 3.79Å; W1563-N1567 VanDerWaalsContact O-CB 3.27Å; W1563-N1567 WeakPolarHBondContact O-CB 3.49Å; W1563-N1567 PolarHBondContact O-N 3.16Å; W1563-D1588 HydrophobicContact CD2-CB 4.45Å; W1563-D1588 HydrophobicContact CZ2-CB 3.89Å; W1563-V1592 HydrophobicContact CZ2-CB 4.36Å; W1563-V1592 HydrophobicContact CZ2-CG1 4.4Å; W1563-V1592 PolarHBondContact NE1-O 3.07Å; W1563-A1597 HydrophobicContact CD2-CB 4.46Å; W1563-A1597 HydrophobicContact CZ2-CB 4.1Å |
| 1564 | L | 96.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -50.1 | 178.4 | -65.7 | 166.6 | 0 | 0 | 0 | 110.3 | T1530 D1534 A1559 T1560 P1561 S1566 N1567 G1568 | T1530-L1564 HydrophobicContact CG2-CD1 3.82Å; D1534-L1564 HydrophobicContact CB-CB 4.16Å; D1534-L1564 HydrophobicContact CB-CD1 4.41Å; D1534-L1564 HydrophobicContact CB-CD2 4.45Å; A1559-L1564 HydrophobicContact CB-CD2 3.92Å; A1559-L1564 HydrophobicContact CB-CG 4.06Å; T1560-L1564 WeakPolarHBondContact O-CG 3.35Å; T1560-L1564 PolarHBondContact O-N 2.99Å; P1561-L1564 PolarHBondContact O-N 3.05Å; L1564-S1566 VanDerWaalsContact C-N 3.32Å; L1564-S1566 PolarHBondContact O-N 3.19Å; L1564-N1567 CarbonylContact O-C 3.52Å; L1564-N1567 WeakPolarHBondContact O-CB 3Å; L1564-N1567 PolarHBondContact O-N 3.3Å; L1564-N1567 VanDerWaalsContact O-N 3.08Å; L1564-G1568 PolarHBondContact O-N 3.38Å |
| 1565 | A | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59 | -41.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1533 P1561 N1567 G1568 G1569 H1570 V1573 V1574 L1577 | A1533-A1565 WeakPolarHBondContact O-CA 3.02Å; A1533-A1565 PolarHBondContact O-N 2.51Å; P1561-A1565 WeakPolarHBondContact O-CB 3.41Å; P1561-A1565 PolarHBondContact O-N 2.85Å; A1565-N1567 VanDerWaalsContact C-N 3.32Å; A1565-N1567 PolarHBondContact O-N 2.66Å; A1565-G1568 PolarHBondContact O-N 2.78Å; A1565-G1569 PolarHBondContact O-N 2.88Å; A1565-H1570 HydrophobicContact CB-CB 4.41Å; A1565-H1570 PolarHBondContact O-N 3.26Å; A1565-H1570 VanDerWaalsContact O-N 3.15Å; A1565-V1573 HydrophobicContact CB-CB 3.97Å; A1565-V1573 HydrophobicContact CB-CG1 3.45Å; A1565-V1573 VanDerWaalsContact CB-CG1 3.45Å; A1565-V1574 HydrophobicContact CB-CG2 3.71Å; A1565-L1577 HydrophobicContact CB-CD1 4.33Å |
| 1566 | S | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.1 | -31.9 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 113.2 | L1562 W1563 L1564 A1598 | L1562-S1566 WeakPolarHBondContact O-CB 3.32Å; L1562-S1566 PolarHBondContact O-N 3.43Å; L1562-S1566 PolarHBondContact O-OG 3.36Å; W1563-S1566 PolarHBondContact O-N 2.85Å; L1564-S1566 VanDerWaalsContact C-N 3.32Å; L1564-S1566 PolarHBondContact O-N 3.19Å; S1566-A1598 WeakPolarHBondContact O-CA 3.28Å; S1566-A1598 WeakPolarHBondContact O-CB 3.47Å; S1566-A1598 PolarHBondContact O-N 3.13Å |
| 1567 | N | 94.5 | Very high | 95.9 | Very high | 37 Ų | 37 | 26.5 Ų | 26.5 | 20% | 0.198 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -79.4 | -32.4 | 174.3 | 171.2 | 79.4 | 0 | 0 | 0 | 112.5 | W1563 L1564 A1565 A1597 K1601 H1603 | W1563-N1567 HydrophobicContact CE3-CB 4Å; W1563-N1567 HydrophobicContact CH2-CB 4.34Å; W1563-N1567 HydrophobicContact CZ3-CB 3.79Å; W1563-N1567 VanDerWaalsContact O-CB 3.27Å; W1563-N1567 WeakPolarHBondContact O-CB 3.49Å; W1563-N1567 PolarHBondContact O-N 3.16Å; L1564-N1567 CarbonylContact O-C 3.52Å; L1564-N1567 WeakPolarHBondContact O-CB 3Å; L1564-N1567 PolarHBondContact O-N 3.3Å; L1564-N1567 VanDerWaalsContact O-N 3.08Å; A1565-N1567 VanDerWaalsContact C-N 3.32Å; A1565-N1567 PolarHBondContact O-N 2.66Å; N1567-A1597 HydrophobicContact CB-CB 4.1Å; N1567-K1601 WeakPolarHBondContact O-CG 3.36Å; N1567-K1601 WeakPolarHBondContact OD1-CE 3.36Å; N1567-H1603 PolarHBondContact O-NE2 2.97Å |
| 1568 | G | 93.2 | Very high | 96 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 12% | 0.124 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.8 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1048 L1564 A1565 H1603 | L1048-G1568 WeakPolarHBondContact CD2-O 3.42Å; L1564-G1568 PolarHBondContact O-N 3.38Å; A1565-G1568 PolarHBondContact O-N 2.78Å; G1568-H1603 PolarHBondContact O-CE1 3.5Å; G1568-H1603 PolarHBondContact O-NE2 2.96Å |
| 1569 | G | 94.4 | Very high | 96 | Very high | 24 Ų | 24 | 28.2 Ų | 28.2 | 25% | 0.247 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.5 | 5.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1565 L1571 H1603 V1606 | A1565-G1569 PolarHBondContact O-N 2.88Å; G1569-L1571 PolarHBondContact O-N 2.89Å; G1569-H1603 WeakPolarHBondContact CA-CD2 3.29Å; G1569-H1603 WeakPolarHBondContact CA-NE2 3.47Å; G1569-H1603 PolarHBondContact N-CD2 3.13Å; G1569-H1603 PolarHBondContact N-NE2 2.8Å; G1569-V1606 WeakPolarHBondContact O-CG2 3.34Å |
| 1570 | H | 96.8 | Very high | 96 | Very high | 48 Ų | 48 | 32.5 Ų | 32.5 | 22% | 0.222 | 16% | 0.162 | C | C | . | . | trans | -74.8 | 87.4 | -167.7 | -51.3 | -40.8 | 0 | 0 | 0 | 111.2 | A1533 D1534 K1535 G1536 A1565 E1572 V1573 V1574 | A1533-H1570 PolarHBondContact O-CD2 3.32Å; D1534-H1570 PolarHBondContact O-NE2 3.5Å; K1535-H1570 VanDerWaalsContact C-NE2 3.33Å; K1535-H1570 PolarHBondContact O-CE1 3.49Å; K1535-H1570 VanDerWaalsContact O-CE1 3.31Å; K1535-H1570 PolarHBondContact O-NE2 3.27Å; G1536-H1570 WeakPolarHBondContact CA-CD2 3.33Å; G1536-H1570 VanDerWaalsContact CA-CG 3.43Å; G1536-H1570 WeakPolarHBondContact CA-NE2 3.44Å; G1536-H1570 PolarHBondContact N-CD2 3.09Å; G1536-H1570 PolarHBondContact N-NE2 3.26Å; A1565-H1570 HydrophobicContact CB-CB 4.41Å; A1565-H1570 PolarHBondContact O-N 3.26Å; A1565-H1570 VanDerWaalsContact O-N 3.15Å; H1570-E1572 PolarHBondContact O-N 3.26Å; H1570-V1573 HydrophobicContact CB-CB 3.89Å; H1570-V1573 HydrophobicContact CB-CG2 3.89Å; H1570-V1573 PolarHBondContact O-N 3.02Å; H1570-V1574 WeakPolarHBondContact O-CG2 3.24Å; H1570-V1574 PolarHBondContact O-N 3.16Å | ||
| 1571 | L | 95.5 | Very high | 95.9 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.9 | -48.5 | -169.3 | -176.2 | 64.4 | 0 | 0 | 0 | 113.1 | G1569 V1574 Q1575 N1605 V1606 L1609 | G1569-L1571 PolarHBondContact O-N 2.89Å; L1571-V1574 WeakPolarHBondContact O-CB 3.42Å; L1571-V1574 PolarHBondContact O-N 3.25Å; L1571-Q1575 WeakPolarHBondContact O-CG 3.39Å; L1571-Q1575 PolarHBondContact O-N 3.06Å; L1571-N1605 HydrophobicContact CD1-CB 4.16Å; L1571-N1605 HydrophobicContact CD2-CB 4Å; L1571-V1606 HydrophobicContact CB-CG2 4.39Å; L1571-V1606 HydrophobicContact CD1-CG2 4.1Å; L1571-L1609 HydrophobicContact CD1-CB 4.33Å; L1571-L1609 HydrophobicContact CD1-CD2 3.87Å |
| 1572 | E | 95.5 | Very high | 95.8 | Very high | 111 Ų | 111 | 39.9 Ų | 39.9 | 52% | 0.519 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -45.5 | -179.6 | -64.9 | 172.7 | -166.3 | 0 | 0 | 111.5 | A1538 H1570 V1574 Q1575 S1576 | A1538-E1572 HydrophobicContact CB-CB 4.07Å; H1570-E1572 PolarHBondContact O-N 3.26Å; E1572-V1574 VanDerWaalsContact C-N 3.28Å; E1572-V1574 PolarHBondContact O-N 3.05Å; E1572-Q1575 WeakPolarHBondContact O-CA 3.33Å; E1572-Q1575 WeakPolarHBondContact O-CB 3.37Å; E1572-Q1575 PolarHBondContact O-N 2.76Å; E1572-S1576 PolarHBondContact O-N 3.26Å; E1572-S1576 PolarHBondContact O-OG 3.34Å |
| 1573 | V | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -39.9 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | A1533 A1538 V1541 A1565 H1570 L1577 | A1533-V1573 HydrophobicContact CB-CG1 3.99Å; A1538-V1573 HydrophobicContact CB-CG2 3.89Å; V1541-V1573 HydrophobicContact CG1-CG1 4.28Å; V1541-V1573 HydrophobicContact CG2-CG1 4.09Å; V1541-V1573 HydrophobicContact CG2-CG2 4.46Å; A1565-V1573 HydrophobicContact CB-CB 3.97Å; A1565-V1573 HydrophobicContact CB-CG1 3.45Å; A1565-V1573 VanDerWaalsContact CB-CG1 3.45Å; H1570-V1573 HydrophobicContact CB-CB 3.89Å; H1570-V1573 HydrophobicContact CB-CG2 3.89Å; H1570-V1573 PolarHBondContact O-N 3.02Å; V1573-L1577 HydrophobicContact CG1-CD1 3.73Å; V1573-L1577 HydrophobicContact CG1-CG 4.43Å; V1573-L1577 WeakPolarHBondContact O-CB 3.16Å; V1573-L1577 WeakPolarHBondContact O-CD1 3.15Å; V1573-L1577 VanDerWaalsContact O-CG 3.23Å; V1573-L1577 WeakPolarHBondContact O-CG 3.41Å; V1573-L1577 PolarHBondContact O-N 3.26Å |
| 1574 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 174.6 | 172.5 | 0 | 0 | 0 | 0 | 111 | L1562 A1565 H1570 L1571 E1572 I1578 V1606 L1609 L1610 | L1562-V1574 HydrophobicContact CD1-CB 4.33Å; L1562-V1574 HydrophobicContact CD1-CG1 3.93Å; L1562-V1574 HydrophobicContact CD1-CG2 4.39Å; A1565-V1574 HydrophobicContact CB-CG2 3.71Å; H1570-V1574 WeakPolarHBondContact O-CG2 3.24Å; H1570-V1574 PolarHBondContact O-N 3.16Å; L1571-V1574 WeakPolarHBondContact O-CB 3.42Å; L1571-V1574 PolarHBondContact O-N 3.25Å; E1572-V1574 VanDerWaalsContact C-N 3.28Å; E1572-V1574 PolarHBondContact O-N 3.05Å; V1574-I1578 HydrophobicContact CG1-CD1 3.84Å; V1574-I1578 WeakPolarHBondContact O-CB 3.38Å; V1574-I1578 WeakPolarHBondContact O-CD1 3.28Å; V1574-I1578 WeakPolarHBondContact O-CG1 3.42Å; V1574-I1578 PolarHBondContact O-N 3.23Å; V1574-I1578 VanDerWaalsContact O-N 3.1Å; V1574-V1606 HydrophobicContact CG1-CG1 4.39Å; V1574-V1606 HydrophobicContact CG2-CG1 4.13Å; V1574-V1606 HydrophobicContact CG2-CG2 4.44Å; V1574-L1609 HydrophobicContact CB-CD2 4.4Å; V1574-L1609 HydrophobicContact CG1-CD2 3.76Å; V1574-L1610 HydrophobicContact CG1-CD2 4.14Å; V1574-L1610 HydrophobicContact CG1-CG 4.38Å |
| 1575 | Q | 96.2 | Very high | 95.2 | Very high | 90 Ų | 90 | 43.2 Ų | 43.2 | 42% | 0.421 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.1 | -51.3 | 175.3 | -68.9 | 171.3 | -79.8 | 0 | 0 | 111.5 | L1571 E1572 L1577 I1578 Q1579 L1609 | L1571-Q1575 WeakPolarHBondContact O-CG 3.39Å; L1571-Q1575 PolarHBondContact O-N 3.06Å; E1572-Q1575 WeakPolarHBondContact O-CA 3.33Å; E1572-Q1575 WeakPolarHBondContact O-CB 3.37Å; E1572-Q1575 PolarHBondContact O-N 2.76Å; Q1575-L1577 PolarHBondContact O-N 3.04Å; Q1575-I1578 PolarHBondContact O-N 2.76Å; Q1575-Q1579 WeakPolarHBondContact O-CB 3.45Å; Q1575-Q1579 PolarHBondContact O-N 2.84Å; Q1575-L1609 HydrophobicContact CG-CD1 4.33Å; Q1575-L1609 HydrophobicContact CG-CD2 3.44Å; Q1575-L1609 VanDerWaalsContact CG-CD2 3.44Å |
| 1576 | S | 96.1 | Very high | 94.9 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.8 | -46.9 | 177.3 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | N1542 E1572 I1578 Q1579 Y1580 | N1542-S1576 WeakPolarHBondContact OD1-CB 3.43Å; N1542-S1576 PolarHBondContact OD1-OG 3.36Å; E1572-S1576 PolarHBondContact O-N 3.26Å; E1572-S1576 PolarHBondContact O-OG 3.34Å; S1576-I1578 VanDerWaalsContact C-N 3.35Å; S1576-I1578 PolarHBondContact O-N 3.46Å; S1576-Q1579 WeakPolarHBondContact O-CB 3.47Å; S1576-Q1579 PolarHBondContact O-N 3.25Å; S1576-Y1580 WeakPolarHBondContact O-CD2 3.38Å; S1576-Y1580 PolarHBondContact O-N 3.43Å |
| 1577 | L | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.6 | -34.1 | -179 | -71.5 | 167.8 | 0 | 0 | 0 | 112.6 | A1533 V1541 L1545 V1551 P1561 L1562 A1565 V1573 Q1575 Y1580 N1581 A1582 | A1533-L1577 HydrophobicContact CB-CD1 4.37Å; V1541-L1577 HydrophobicContact CG1-CD2 4.47Å; V1541-L1577 HydrophobicContact CG1-CG 4.45Å; L1545-L1577 HydrophobicContact CD1-CD2 3.97Å; L1545-L1577 HydrophobicContact CD2-CD2 4.02Å; V1551-L1577 HydrophobicContact CG1-CD2 4.12Å; P1561-L1577 HydrophobicContact CB-CD1 3.72Å; P1561-L1577 HydrophobicContact CB-CD2 3.92Å; L1562-L1577 HydrophobicContact CB-CB 4.41Å; L1562-L1577 HydrophobicContact CB-CD1 4.32Å; L1562-L1577 HydrophobicContact CD1-CB 3.86Å; L1562-L1577 HydrophobicContact CD1-CD1 4.5Å; A1565-L1577 HydrophobicContact CB-CD1 4.33Å; V1573-L1577 HydrophobicContact CG1-CD1 3.73Å; V1573-L1577 HydrophobicContact CG1-CG 4.43Å; V1573-L1577 WeakPolarHBondContact O-CB 3.16Å; V1573-L1577 WeakPolarHBondContact O-CD1 3.15Å; V1573-L1577 VanDerWaalsContact O-CG 3.23Å; V1573-L1577 WeakPolarHBondContact O-CG 3.41Å; V1573-L1577 PolarHBondContact O-N 3.26Å; Q1575-L1577 PolarHBondContact O-N 3.04Å; L1577-Y1580 CarbonylContact O-C 3.59Å; L1577-Y1580 PolarHBondContact O-N 2.72Å; L1577-N1581 PolarHBondContact O-N 3.26Å; L1577-A1582 HydrophobicContact CB-CB 4.11Å; L1577-A1582 WeakPolarHBondContact O-CB 3.22Å; L1577-A1582 PolarHBondContact O-N 2.87Å |
| 1578 | I | 95.2 | Very high | 94.7 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 171.8 | -69.6 | 169 | 0 | 0 | 0 | 110.8 | L1562 V1574 Q1575 S1576 Y1580 N1581 V1584 L1609 L1610 Y1613 | L1562-I1578 HydrophobicContact CD1-CG1 4.09Å; V1574-I1578 HydrophobicContact CG1-CD1 3.84Å; V1574-I1578 WeakPolarHBondContact O-CB 3.38Å; V1574-I1578 WeakPolarHBondContact O-CD1 3.28Å; V1574-I1578 WeakPolarHBondContact O-CG1 3.42Å; V1574-I1578 PolarHBondContact O-N 3.23Å; V1574-I1578 VanDerWaalsContact O-N 3.1Å; Q1575-I1578 PolarHBondContact O-N 2.76Å; S1576-I1578 VanDerWaalsContact C-N 3.35Å; S1576-I1578 PolarHBondContact O-N 3.46Å; I1578-Y1580 VanDerWaalsContact C-N 3.3Å; I1578-Y1580 PolarHBondContact O-N 3.45Å; I1578-N1581 PolarHBondContact O-N 3.42Å; I1578-V1584 HydrophobicContact CD1-CG1 4.04Å; I1578-V1584 HydrophobicContact CG1-CG1 3.75Å; I1578-L1609 HydrophobicContact CD1-CD2 4.32Å; I1578-L1609 HydrophobicContact CD1-CG 4.42Å; I1578-L1610 HydrophobicContact CD1-CD2 4.13Å; I1578-Y1613 HydrophobicContact CD1-CD2 4.25Å; I1578-Y1613 HydrophobicContact CG2-CD1 3.93Å; I1578-Y1613 HydrophobicContact CG2-CD2 4.4Å; I1578-Y1613 HydrophobicContact CG2-CE1 3.95Å; I1578-Y1613 HydrophobicContact CG2-CE2 4.45Å; I1578-Y1613 HydrophobicContact CG2-CG 4.17Å |
| 1579 | Q | 94.1 | Very high | 94.7 | Very high | 155 Ų | 155 | 51 Ų | 51 | 72% | 0.724 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.9 | -36.3 | 176.8 | -172.3 | 173.2 | -4.8 | 0 | 0 | 112 | Q1575 S1576 N1581 | Q1575-Q1579 WeakPolarHBondContact O-CB 3.45Å; Q1575-Q1579 PolarHBondContact O-N 2.84Å; S1576-Q1579 WeakPolarHBondContact O-CB 3.47Å; S1576-Q1579 PolarHBondContact O-N 3.25Å; Q1579-N1581 PolarHBondContact O-N 3.48Å |
| 1580 | Y | 95.9 | Very high | 94.5 | Very high | 89 Ų | 89 | 59 Ų | 59 | 35% | 0.349 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 27.5 | 170.3 | -78.8 | -91.4 | 0 | 0 | 0 | 113.8 | L1545 E1546 S1576 L1577 I1578 A1582 | L1545-Y1580 HydrophobicContact CB-CD1 3.95Å; L1545-Y1580 HydrophobicContact CB-CD2 3.96Å; L1545-Y1580 HydrophobicContact CB-CE1 3.92Å; L1545-Y1580 HydrophobicContact CB-CE2 3.93Å; L1545-Y1580 HydrophobicContact CB-CG 3.97Å; L1545-Y1580 HydrophobicContact CD1-CD2 3.7Å; L1545-Y1580 HydrophobicContact CD1-CE2 4.23Å; L1545-Y1580 HydrophobicContact CD1-CG 4.02Å; L1545-Y1580 HydrophobicContact CD2-CG 4.25Å; L1545-Y1580 HydrophobicContact CG-CD2 4.33Å; L1545-Y1580 HydrophobicContact CG-CG 4.3Å; E1546-Y1580 WeakPolarHBondContact CG-OH 3.27Å; S1576-Y1580 WeakPolarHBondContact O-CD2 3.38Å; S1576-Y1580 PolarHBondContact O-N 3.43Å; L1577-Y1580 CarbonylContact O-C 3.59Å; L1577-Y1580 PolarHBondContact O-N 2.72Å; I1578-Y1580 VanDerWaalsContact C-N 3.3Å; I1578-Y1580 PolarHBondContact O-N 3.45Å; Y1580-A1582 PolarHBondContact O-N 2.96Å |
| 1581 | N | 94 | Very high | 94.2 | Very high | 147 Ų | 147 | 64.9 Ų | 64.9 | 79% | 0.786 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 29.7 | 170.3 | -56.8 | 122.5 | 0 | 0 | 0 | 117.2 | L1577 I1578 Q1579 | L1577-N1581 PolarHBondContact O-N 3.26Å; I1578-N1581 PolarHBondContact O-N 3.42Å; Q1579-N1581 PolarHBondContact O-N 3.48Å |
| 1582 | A | 95.2 | Very high | 93.8 | Very high | 9 Ų | 9 | 62.8 Ų | 62.8 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | trans | -59.7 | 145.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1551 L1562 L1577 Y1580 V1584 | V1551-A1582 HydrophobicContact CG1-CB 3.59Å; L1562-A1582 HydrophobicContact CB-CB 3.99Å; L1562-A1582 HydrophobicContact CD2-CB 3.86Å; L1562-A1582 HydrophobicContact CG-CB 4.37Å; L1577-A1582 HydrophobicContact CB-CB 4.11Å; L1577-A1582 WeakPolarHBondContact O-CB 3.22Å; L1577-A1582 PolarHBondContact O-N 2.87Å; Y1580-A1582 PolarHBondContact O-N 2.96Å; A1582-V1584 PolarHBondContact O-N 2.9Å | ||
| 1583 | D | 94.6 | Very high | 93.7 | Very high | 68 Ų | 68 | 58.2 Ų | 58.2 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | trans | -73.3 | 103.4 | 176.9 | 174.8 | 25.8 | 0 | 0 | 0 | 110.7 | E1552 N1585 S1586 | E1552-D1583 PolarHBondContact OE1-N 3.5Å; D1583-N1585 PolarHBondContact O-N 3.35Å; D1583-N1585 WeakPolarHBondContact OD1-CA 3.37Å; D1583-N1585 VanDerWaalsContact OD1-CB 3.32Å; D1583-N1585 WeakPolarHBondContact OD1-CB 3Å; D1583-N1585 PolarHBondContact OD1-N 3.45Å; D1583-N1585 PolarHBondContact OD1-ND2 3.13Å; D1583-S1586 WeakPolarHBondContact O-CB 3.41Å; D1583-S1586 PolarHBondContact O-N 3.27Å; D1583-S1586 PolarHBondContact OD2-N 3.09Å | ||
| 1584 | V | 92.7 | Very high | 93.4 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 10% | 0.097 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -20.4 | 174.4 | -68.1 | 0 | 0 | 0 | 0 | 114.5 | L1562 I1578 A1582 L1610 Y1613 V1614 | L1562-V1584 HydrophobicContact CD2-CB 4.47Å; L1562-V1584 HydrophobicContact CD2-CG1 4.11Å; I1578-V1584 HydrophobicContact CD1-CG1 4.04Å; I1578-V1584 HydrophobicContact CG1-CG1 3.75Å; A1582-V1584 PolarHBondContact O-N 2.9Å; V1584-L1610 HydrophobicContact CG1-CD2 4.42Å; V1584-Y1613 WeakPolarHBondContact CG2-O 3.25Å; V1584-V1614 HydrophobicContact CB-CG1 4.27Å; V1584-V1614 HydrophobicContact CG2-CG1 4.47Å |
| 1585 | N | 91.1 | Very high | 93.2 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -4 | 176.7 | -46.5 | -82 | 0 | 0 | 0 | 112.8 | D1583 Q1587 T1615 Q1616 | D1583-N1585 PolarHBondContact O-N 3.35Å; D1583-N1585 WeakPolarHBondContact OD1-CA 3.37Å; D1583-N1585 VanDerWaalsContact OD1-CB 3.32Å; D1583-N1585 WeakPolarHBondContact OD1-CB 3Å; D1583-N1585 PolarHBondContact OD1-N 3.45Å; D1583-N1585 PolarHBondContact OD1-ND2 3.13Å; N1585-Q1587 WeakPolarHBondContact O-CG 3.48Å; N1585-T1615 PolarHBondContact ND2-OG1 2.78Å; N1585-T1615 PolarHBondContact OD1-N 2.95Å; N1585-T1615 PolarHBondContact OD1-OG1 2.94Å; N1585-Q1616 PolarHBondContact OD1-N 3.38Å |
| 1586 | S | 91.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | trans | -51.1 | 140.1 | -175.5 | -105.8 | 0 | 0 | 0 | 0 | 112.8 | E1552 R1554 D1583 S1593 C1594 | E1552-S1586 PolarHBondContact OE2-OG 3.27Å; R1554-S1586 PolarHBondContact NH2-OG 3.2Å; D1583-S1586 WeakPolarHBondContact O-CB 3.41Å; D1583-S1586 PolarHBondContact O-N 3.27Å; D1583-S1586 PolarHBondContact OD2-N 3.09Å; S1586-S1593 CarbonylContact O-C 3.45Å; S1586-S1593 VanDerWaalsContact O-CA 3.3Å; S1586-S1593 WeakPolarHBondContact O-CA 3.3Å; S1586-C1594 PolarHBondContact O-N 3.21Å; S1586-C1594 VanDerWaalsContact O-N 3.07Å; S1586-C1594 PolarHBondContact O-SG 2.88Å | ||
| 1587 | Q | 92.1 | Very high | 92.4 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 35% | 0.346 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -122.8 | 152.4 | -177.5 | -49.3 | -174.4 | 1 | 0 | 0 | 111.9 | R1554 N1585 V1592 | R1554-Q1587 PolarHBondContact NH1-O 2.97Å; N1585-Q1587 WeakPolarHBondContact O-CG 3.48Å; Q1587-V1592 VanDerWaalsContact CA-O 3.27Å; Q1587-V1592 WeakPolarHBondContact CA-O 3.11Å |
| 1588 | D | 93.2 | Very high | 92.1 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | trans | -76.1 | 175.8 | 167.3 | 80.4 | -24 | 0 | 0 | 0 | 112.1 | W1563 R1590 K1591 V1592 | W1563-D1588 HydrophobicContact CD2-CB 4.45Å; W1563-D1588 HydrophobicContact CZ2-CB 3.89Å; D1588-R1590 VanDerWaalsContact CG-N 3.34Å; D1588-R1590 PolarHBondContact O-N 3.21Å; D1588-R1590 VanDerWaalsContact OD1-C 3.25Å; D1588-R1590 VanDerWaalsContact OD1-CA 3.31Å; D1588-R1590 WeakPolarHBondContact OD1-CA 3.03Å; D1588-R1590 WeakPolarHBondContact OD1-CB 3.15Å; D1588-R1590 PolarHBondContact OD1-N 2.99Å; D1588-R1590 WeakPolarHBondContact OD2-CB 3.46Å; D1588-R1590 WeakPolarHBondContact OD2-CD 3.39Å; D1588-R1590 WeakPolarHBondContact OD2-CG 3.35Å; D1588-K1591 PolarHBondContact O-N 2.9Å; D1588-K1591 PolarHBondContact OD1-N 3.45Å; D1588-V1592 PolarHBondContact N-O 2.81Å; D1588-V1592 VanDerWaalsContact N-O 3.16Å; D1588-V1592 WeakPolarHBondContact OD1-CB 3.2Å; D1588-V1592 PolarHBondContact OD1-N 3.1Å | ||
| 1589 | N | 93.9 | Very high | 91.6 | Very high | 122 Ų | 122 | 52.6 Ų | 52.6 | 65% | 0.652 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -8.4 | 174.9 | -71.6 | -18.4 | 0 | 0 | 0 | 113.6 | K1556 K1557 G1558 | K1556-N1589 PolarHBondContact O-ND2 2.95Å; K1557-N1589 VanDerWaalsContact C-ND2 3.28Å; K1557-N1589 VanDerWaalsContact O-CB 3.25Å; K1557-N1589 WeakPolarHBondContact O-CB 3.32Å; K1557-N1589 VanDerWaalsContact O-CG 3.25Å; K1557-N1589 PolarHBondContact O-N 2.82Å; K1557-N1589 PolarHBondContact O-ND2 3.12Å; G1558-N1589 WeakPolarHBondContact CA-OD1 3.43Å; G1558-N1589 PolarHBondContact N-ND2 3.32Å |
| 1590 | R | 90.4 | Very high | 91 | Very high | 193 Ų | 193 | 48.5 Ų | 48.5 | 73% | 0.728 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103 | 6.8 | 177.1 | -49.3 | 174.8 | 65.9 | -175.6 | 2.2 | 112.6 | D1588 V1592 | D1588-R1590 VanDerWaalsContact CG-N 3.34Å; D1588-R1590 PolarHBondContact O-N 3.21Å; D1588-R1590 VanDerWaalsContact OD1-C 3.25Å; D1588-R1590 VanDerWaalsContact OD1-CA 3.31Å; D1588-R1590 WeakPolarHBondContact OD1-CA 3.03Å; D1588-R1590 WeakPolarHBondContact OD1-CB 3.15Å; D1588-R1590 PolarHBondContact OD1-N 2.99Å; D1588-R1590 WeakPolarHBondContact OD2-CB 3.46Å; D1588-R1590 WeakPolarHBondContact OD2-CD 3.39Å; D1588-R1590 WeakPolarHBondContact OD2-CG 3.35Å; R1590-V1592 VanDerWaalsContact C-N 3.33Å; R1590-V1592 HydrophobicContact CB-CG2 4.2Å |
| 1591 | K | 89.2 | Confident | 90.4 | Very high | 172 Ų | 172 | 45.6 Ų | 45.6 | 75% | 0.748 | 22% | 0.216 | S | C | * | . | trans | 61.6 | 34.7 | -177.9 | -55.6 | -169 | 178.7 | -169.3 | 0 | 114 | D1588 | D1588-K1591 PolarHBondContact O-N 2.9Å; D1588-K1591 PolarHBondContact OD1-N 3.45Å | ||
| 1592 | V | 88.9 | Confident | 89.8 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | trans | -93.7 | 116.7 | 170.9 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | W1563 Q1587 D1588 R1590 M1596 A1597 | W1563-V1592 HydrophobicContact CZ2-CB 4.36Å; W1563-V1592 HydrophobicContact CZ2-CG1 4.4Å; W1563-V1592 PolarHBondContact NE1-O 3.07Å; Q1587-V1592 VanDerWaalsContact CA-O 3.27Å; Q1587-V1592 WeakPolarHBondContact CA-O 3.11Å; D1588-V1592 PolarHBondContact N-O 2.81Å; D1588-V1592 VanDerWaalsContact N-O 3.16Å; D1588-V1592 WeakPolarHBondContact OD1-CB 3.2Å; D1588-V1592 PolarHBondContact OD1-N 3.1Å; R1590-V1592 VanDerWaalsContact C-N 3.33Å; R1590-V1592 HydrophobicContact CB-CG2 4.2Å; V1592-M1596 HydrophobicContact CG1-CB 3.88Å; V1592-A1597 HydrophobicContact CG1-CB 4.36Å | ||
| 1593 | S | 91.6 | Very high | 89.5 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -74.1 | 162.5 | 175.6 | 61.8 | 0 | 0 | 0 | 0 | 112.8 | S1586 L1595 M1596 A1597 | S1586-S1593 CarbonylContact O-C 3.45Å; S1586-S1593 VanDerWaalsContact O-CA 3.3Å; S1586-S1593 WeakPolarHBondContact O-CA 3.3Å; S1593-L1595 VanDerWaalsContact C-N 3.31Å; S1593-L1595 PolarHBondContact O-N 3.42Å; S1593-M1596 CarbonylContact O-C 3.56Å; S1593-M1596 WeakPolarHBondContact O-CA 3.47Å; S1593-M1596 PolarHBondContact O-N 2.92Å; S1593-M1596 PolarHBondContact OG-N 3.07Å; S1593-A1597 PolarHBondContact O-N 2.97Å |
| 1594 | C | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -50 | -48.7 | 175.5 | -61 | 0 | 0 | 0 | 0 | 112.3 | S1586 M1596 A1597 A1598 L1610 | S1586-C1594 PolarHBondContact O-N 3.21Å; S1586-C1594 VanDerWaalsContact O-N 3.07Å; S1586-C1594 PolarHBondContact O-SG 2.88Å; C1594-M1596 VanDerWaalsContact C-N 3.31Å; C1594-M1596 PolarHBondContact O-N 3.2Å; C1594-A1597 WeakPolarHBondContact O-CB 3.42Å; C1594-A1597 PolarHBondContact O-N 3.06Å; C1594-A1598 PolarHBondContact O-N 2.97Å; C1594-L1610 HydrophobicContact CB-CD1 4.28Å |
| 1595 | L | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -40.5 | 174.9 | 176.8 | 62.5 | 0 | 0 | 0 | 112.6 | S1593 F1599 V1607 L1610 V1611 V1614 F1617 F1641 | S1593-L1595 VanDerWaalsContact C-N 3.31Å; S1593-L1595 PolarHBondContact O-N 3.42Å; L1595-F1599 VanDerWaalsContact O-CB 3.25Å; L1595-F1599 WeakPolarHBondContact O-CB 3.25Å; L1595-F1599 PolarHBondContact O-N 2.82Å; L1595-V1607 HydrophobicContact CD1-CG1 4.21Å; L1595-V1607 HydrophobicContact CD1-CG2 4.38Å; L1595-L1610 HydrophobicContact CB-CD1 4.46Å; L1595-L1610 HydrophobicContact CD1-CB 4.12Å; L1595-V1611 HydrophobicContact CD1-CG2 3.86Å; L1595-V1611 HydrophobicContact CD2-CG2 4.29Å; L1595-V1614 HydrophobicContact CB-CG1 4.33Å; L1595-V1614 HydrophobicContact CD2-CG2 4.15Å; L1595-F1617 HydrophobicContact CD2-CD1 4.49Å; L1595-F1641 HydrophobicContact CD1-CE2 4.27Å |
| 1596 | M | 87.6 | Confident | 88.9 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.2 | -26.6 | 179.2 | -86.7 | -64.7 | -155.3 | 0 | 0 | 113.7 | V1592 S1593 C1594 F1599 R1600 P1618 D1622 C1623 H1626 | V1592-M1596 HydrophobicContact CG1-CB 3.88Å; S1593-M1596 CarbonylContact O-C 3.56Å; S1593-M1596 WeakPolarHBondContact O-CA 3.47Å; S1593-M1596 PolarHBondContact O-N 2.92Å; S1593-M1596 PolarHBondContact OG-N 3.07Å; C1594-M1596 VanDerWaalsContact C-N 3.31Å; C1594-M1596 PolarHBondContact O-N 3.2Å; M1596-F1599 HydrophobicContact SD-CD1 3.99Å; M1596-R1600 WeakPolarHBondContact O-CB 3.31Å; M1596-R1600 WeakPolarHBondContact O-CG 3.15Å; M1596-R1600 PolarHBondContact O-N 3.2Å; M1596-P1618 HydrophobicContact CE-CB 3.39Å; M1596-P1618 HydrophobicContact CE-CG 3.58Å; M1596-P1618 HydrophobicContact CG-CB 4.12Å; M1596-P1618 HydrophobicContact CG-CG 4.14Å; M1596-P1618 HydrophobicContact SD-CB 4.5Å; M1596-P1618 HydrophobicContact SD-CG 4.33Å; M1596-D1622 HydrophobicContact CE-CB 4.19Å; M1596-C1623 HydrophobicContact CE-CB 4.46Å; M1596-H1626 HydrophobicContact CE-CB 3.9Å; M1596-H1626 HydrophobicContact SD-CB 3.74Å; M1596-H1626 PolarHBondContact SD-CD2 3.35Å |
| 1597 | A | 89.7 | Confident | 88.8 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.8 | -53.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | W1563 N1567 V1592 S1593 C1594 F1599 R1600 K1601 | W1563-A1597 HydrophobicContact CD2-CB 4.46Å; W1563-A1597 HydrophobicContact CZ2-CB 4.1Å; N1567-A1597 HydrophobicContact CB-CB 4.1Å; V1592-A1597 HydrophobicContact CG1-CB 4.36Å; S1593-A1597 PolarHBondContact O-N 2.97Å; C1594-A1597 WeakPolarHBondContact O-CB 3.42Å; C1594-A1597 PolarHBondContact O-N 3.06Å; A1597-F1599 VanDerWaalsContact C-N 3.31Å; A1597-F1599 PolarHBondContact O-N 3.01Å; A1597-R1600 PolarHBondContact O-N 3.38Å; A1597-K1601 WeakPolarHBondContact O-CB 3.33Å; A1597-K1601 VanDerWaalsContact O-CG 3.29Å; A1597-K1601 WeakPolarHBondContact O-CG 3.36Å; A1597-K1601 PolarHBondContact O-N 3.32Å |
| 1598 | A | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1566 C1594 K1601 G1602 H1603 V1606 V1607 L1610 | S1566-A1598 WeakPolarHBondContact O-CA 3.28Å; S1566-A1598 WeakPolarHBondContact O-CB 3.47Å; S1566-A1598 PolarHBondContact O-N 3.13Å; C1594-A1598 PolarHBondContact O-N 2.97Å; A1598-K1601 CarbonylContact O-C 3.59Å; A1598-K1601 PolarHBondContact O-N 2.77Å; A1598-G1602 PolarHBondContact O-N 3.32Å; A1598-H1603 HydrophobicContact CB-CB 4.35Å; A1598-H1603 PolarHBondContact O-N 3.33Å; A1598-V1606 HydrophobicContact CB-CB 4.27Å; A1598-V1606 HydrophobicContact CB-CG1 3.61Å; A1598-V1607 HydrophobicContact CB-CG2 3.77Å; A1598-L1610 HydrophobicContact CB-CD1 4.21Å |
| 1599 | F | 84.8 | Confident | 88.5 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -47.4 | 176.6 | 173.9 | -111.7 | 0 | 0 | 0 | 113.2 | L1595 M1596 A1597 K1601 G1602 V1607 H1626 I1627 F1637 F1641 | L1595-F1599 VanDerWaalsContact O-CB 3.25Å; L1595-F1599 WeakPolarHBondContact O-CB 3.25Å; L1595-F1599 PolarHBondContact O-N 2.82Å; M1596-F1599 HydrophobicContact SD-CD1 3.99Å; A1597-F1599 VanDerWaalsContact C-N 3.31Å; A1597-F1599 PolarHBondContact O-N 3.01Å; F1599-K1601 PolarHBondContact O-N 3.47Å; F1599-G1602 PolarHBondContact O-N 3.33Å; F1599-V1607 HydrophobicContact CB-CG2 4.27Å; F1599-H1626 HydrophobicContact CD1-CB 4.38Å; F1599-H1626 HydrophobicContact CE1-CB 4.32Å; F1599-I1627 HydrophobicContact CE1-CG1 3.87Å; F1599-I1627 HydrophobicContact CZ-CG1 3.76Å; F1599-F1637 AromaticContact CD2-CE1 3.59Å; F1599-F1637 HydrophobicContact CD2-CE1 3.59Å; F1599-F1637 AromaticContact CD2-CZ 3.97Å; F1599-F1637 HydrophobicContact CD2-CZ 3.97Å; F1599-F1637 HydrophobicContact CE2-CD1 4.11Å; F1599-F1637 AromaticContact CE2-CE1 3.58Å; F1599-F1637 HydrophobicContact CE2-CE1 3.58Å; F1599-F1637 HydrophobicContact CE2-CZ 4.27Å; F1599-F1641 HydrophobicContact CB-CE1 4.27Å; F1599-F1641 HydrophobicContact CB-CE2 3.92Å; F1599-F1641 HydrophobicContact CB-CZ 3.67Å; F1599-F1641 HydrophobicContact CD1-CD1 4.26Å; F1599-F1641 AromaticContact CD1-CE1 3.72Å; F1599-F1641 HydrophobicContact CD1-CE1 3.72Å; F1599-F1641 HydrophobicContact CD1-CZ 4Å; F1599-F1641 HydrophobicContact CD2-CB 4.13Å; F1599-F1641 AromaticContact CD2-CD1 3.43Å; F1599-F1641 HydrophobicContact CD2-CD1 3.43Å; F1599-F1641 VanDerWaalsContact CD2-CD1 3.43Å; F1599-F1641 AromaticContact CD2-CD2 3.51Å; F1599-F1641 HydrophobicContact CD2-CD2 3.51Å; F1599-F1641 AromaticContact CD2-CE1 3.49Å; F1599-F1641 HydrophobicContact CD2-CE1 3.49Å; F1599-F1641 VanDerWaalsContact CD2-CE1 3.49Å; F1599-F1641 AromaticContact CD2-CE2 3.57Å; F1599-F1641 HydrophobicContact CD2-CE2 3.57Å; F1599-F1641 AromaticContact CD2-CG 3.41Å; F1599-F1641 HydrophobicContact CD2-CG 3.41Å; F1599-F1641 VanDerWaalsContact CD2-CG 3.41Å; F1599-F1641 AromaticContact CD2-CZ 3.54Å; F1599-F1641 HydrophobicContact CD2-CZ 3.54Å; F1599-F1641 HydrophobicContact CE1-CD1 4.07Å; F1599-F1641 AromaticContact CE1-CE1 3.89Å; F1599-F1641 HydrophobicContact CE1-CE1 3.89Å; F1599-F1641 HydrophobicContact CE2-CB 3.68Å; F1599-F1641 AromaticContact CE2-CD1 3.21Å; F1599-F1641 HydrophobicContact CE2-CD1 3.21Å; F1599-F1641 AromaticContact CE2-CD2 3.95Å; F1599-F1641 HydrophobicContact CE2-CD2 3.95Å; F1599-F1641 AromaticContact CE2-CE1 3.69Å; F1599-F1641 HydrophobicContact CE2-CE1 3.69Å; F1599-F1641 HydrophobicContact CE2-CE2 4.35Å; F1599-F1641 AromaticContact CE2-CG 3.34Å; F1599-F1641 HydrophobicContact CE2-CG 3.34Å; F1599-F1641 HydrophobicContact CE2-CZ 4.21Å; F1599-F1641 AromaticContact CG-CD1 3.96Å; F1599-F1641 HydrophobicContact CG-CD1 3.96Å; F1599-F1641 HydrophobicContact CG-CD2 4.25Å; F1599-F1641 AromaticContact CG-CE1 3.51Å; F1599-F1641 HydrophobicContact CG-CE1 3.51Å; F1599-F1641 AromaticContact CG-CE2 3.84Å; F1599-F1641 HydrophobicContact CG-CE2 3.84Å; F1599-F1641 HydrophobicContact CG-CG 4.29Å; F1599-F1641 AromaticContact CG-CZ 3.42Å; F1599-F1641 HydrophobicContact CG-CZ 3.42Å; F1599-F1641 VanDerWaalsContact CG-CZ 3.42Å; F1599-F1641 AromaticContact CZ-CD1 3.56Å; F1599-F1641 HydrophobicContact CZ-CD1 3.56Å; F1599-F1641 AromaticContact CZ-CE1 3.88Å; F1599-F1641 HydrophobicContact CZ-CE1 3.88Å; F1599-F1641 HydrophobicContact CZ-CG 4.16Å |
| 1600 | R | 81.4 | Confident | 88.4 | Confident | 69 Ų | 69 | 40.4 Ų | 40.4 | 26% | 0.26 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.2 | -35.3 | 176.2 | -83.3 | -178.5 | -179.9 | 165.2 | 12.9 | 112.4 | M1596 A1597 H1626 | M1596-R1600 WeakPolarHBondContact O-CB 3.31Å; M1596-R1600 WeakPolarHBondContact O-CG 3.15Å; M1596-R1600 PolarHBondContact O-N 3.2Å; A1597-R1600 PolarHBondContact O-N 3.38Å; R1600-H1626 HydrophobicContact CG-CB 4.35Å; R1600-H1626 VanDerWaalsContact CZ-CD2 3.46Å; R1600-H1626 PolarHBondContact NE-CD2 3.45Å; R1600-H1626 PolarHBondContact NH2-CD2 2.58Å; R1600-H1626 VanDerWaalsContact NH2-CD2 3.26Å; R1600-H1626 PolarHBondContact NH2-CE1 2.84Å; R1600-H1626 PolarHBondContact NH2-NE2 3.41Å |
| 1601 | K | 82.9 | Confident | 88.2 | Confident | 29 Ų | 29 | 31.5 Ų | 31.5 | 13% | 0.126 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -81.5 | -13.5 | 176.8 | -65 | -69.6 | -160.6 | 170.9 | 0 | 113 | H1046 L1048 R1050 N1567 A1597 A1598 F1599 H1603 | H1046-K1601 WeakPolarHBondContact CE1-CD 3.36Å; H1046-K1601 PolarHBondContact CE1-NZ 3.09Å; H1046-K1601 PolarHBondContact NE2-NZ 2.75Å; L1048-K1601 HydrophobicContact CD1-CD 4.2Å; R1050-K1601 PolarHBondContact NH1-O 2.83Å; R1050-K1601 PolarHBondContact NH2-O 3.17Å; N1567-K1601 WeakPolarHBondContact O-CG 3.36Å; N1567-K1601 WeakPolarHBondContact OD1-CE 3.36Å; A1597-K1601 WeakPolarHBondContact O-CB 3.33Å; A1597-K1601 VanDerWaalsContact O-CG 3.29Å; A1597-K1601 WeakPolarHBondContact O-CG 3.36Å; A1597-K1601 PolarHBondContact O-N 3.32Å; A1598-K1601 CarbonylContact O-C 3.59Å; A1598-K1601 PolarHBondContact O-N 2.77Å; F1599-K1601 PolarHBondContact O-N 3.47Å; K1601-H1603 VanDerWaalsContact CB-CD2 3.42Å; K1601-H1603 WeakPolarHBondContact CB-CD2 3.49Å; K1601-H1603 WeakPolarHBondContact CB-NE2 3.45Å |
| 1602 | G | 82.4 | Confident | 88.1 | Confident | 4 Ų | 4 | 30 Ų | 30 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 32.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1050 A1598 F1599 I1604 | R1050-G1602 PolarHBondContact NH2-O 2.84Å; A1598-G1602 PolarHBondContact O-N 3.32Å; F1599-G1602 PolarHBondContact O-N 3.33Å; G1602-I1604 PolarHBondContact O-N 2.97Å |
| 1603 | H | 88.7 | Confident | 88.2 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 12% | 0.12 | 16% | 0.161 | C | C | . | . | trans | -85.9 | 82.6 | -175.3 | -66.7 | -33.9 | 0 | 0 | 0 | 110.8 | N1567 G1568 G1569 A1598 K1601 N1605 V1606 V1607 | N1567-H1603 PolarHBondContact O-NE2 2.97Å; G1568-H1603 PolarHBondContact O-CE1 3.5Å; G1568-H1603 PolarHBondContact O-NE2 2.96Å; G1569-H1603 WeakPolarHBondContact CA-CD2 3.29Å; G1569-H1603 WeakPolarHBondContact CA-NE2 3.47Å; G1569-H1603 PolarHBondContact N-CD2 3.13Å; G1569-H1603 PolarHBondContact N-NE2 2.8Å; A1598-H1603 HydrophobicContact CB-CB 4.35Å; A1598-H1603 PolarHBondContact O-N 3.33Å; K1601-H1603 VanDerWaalsContact CB-CD2 3.42Å; K1601-H1603 WeakPolarHBondContact CB-CD2 3.49Å; K1601-H1603 WeakPolarHBondContact CB-NE2 3.45Å; H1603-N1605 VanDerWaalsContact C-N 3.35Å; H1603-N1605 PolarHBondContact O-N 3.47Å; H1603-V1606 HydrophobicContact CB-CB 4.14Å; H1603-V1606 HydrophobicContact CB-CG2 4.46Å; H1603-V1606 PolarHBondContact O-N 3.4Å; H1603-V1607 WeakPolarHBondContact O-CB 3.43Å; H1603-V1607 WeakPolarHBondContact O-CG2 3.41Å; H1603-V1607 PolarHBondContact O-N 2.85Å | ||
| 1604 | I | 85.2 | Confident | 87.9 | Confident | 76 Ų | 76 | 35.5 Ų | 35.5 | 39% | 0.39 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -57.5 | -42.9 | -165.2 | -47 | -168.4 | 0 | 0 | 0 | 112.8 | G1602 V1607 R1608 F1637 | G1602-I1604 PolarHBondContact O-N 2.97Å; I1604-V1607 PolarHBondContact O-N 3.09Å; I1604-R1608 WeakPolarHBondContact O-CG 3.39Å; I1604-R1608 PolarHBondContact O-N 2.98Å; I1604-F1637 HydrophobicContact CB-CE2 4.25Å; I1604-F1637 HydrophobicContact CD1-CD2 3.97Å; I1604-F1637 HydrophobicContact CD1-CE2 4.1Å; I1604-F1637 HydrophobicContact CG1-CD2 4.04Å; I1604-F1637 HydrophobicContact CG1-CE2 3.65Å; I1604-F1637 HydrophobicContact CG1-CZ 4.36Å; I1604-F1637 HydrophobicContact CG2-CE2 4.21Å |
| 1605 | N | 88.6 | Confident | 87.6 | Confident | 75 Ų | 75 | 40.8 Ų | 40.8 | 40% | 0.401 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -72.3 | -43.4 | -176.3 | -62.8 | -18.1 | 0 | 0 | 0 | 111.6 | L1571 H1603 V1607 R1608 L1609 | L1571-N1605 HydrophobicContact CD1-CB 4.16Å; L1571-N1605 HydrophobicContact CD2-CB 4Å; H1603-N1605 VanDerWaalsContact C-N 3.35Å; H1603-N1605 PolarHBondContact O-N 3.47Å; N1605-V1607 VanDerWaalsContact C-N 3.32Å; N1605-V1607 PolarHBondContact O-N 3.02Å; N1605-R1608 PolarHBondContact O-N 2.91Å; N1605-L1609 WeakPolarHBondContact O-CB 3.44Å; N1605-L1609 PolarHBondContact O-N 3.27Å |
| 1606 | V | 92 | Very high | 87.1 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -41.2 | 172.3 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | G1569 L1571 V1574 A1598 H1603 L1609 L1610 | G1569-V1606 WeakPolarHBondContact O-CG2 3.34Å; L1571-V1606 HydrophobicContact CB-CG2 4.39Å; L1571-V1606 HydrophobicContact CD1-CG2 4.1Å; V1574-V1606 HydrophobicContact CG1-CG1 4.39Å; V1574-V1606 HydrophobicContact CG2-CG1 4.13Å; V1574-V1606 HydrophobicContact CG2-CG2 4.44Å; A1598-V1606 HydrophobicContact CB-CB 4.27Å; A1598-V1606 HydrophobicContact CB-CG1 3.61Å; H1603-V1606 HydrophobicContact CB-CB 4.14Å; H1603-V1606 HydrophobicContact CB-CG2 4.46Å; H1603-V1606 PolarHBondContact O-N 3.4Å; V1606-L1609 PolarHBondContact O-N 2.84Å; V1606-L1610 HydrophobicContact CG1-CD1 3.71Å; V1606-L1610 HydrophobicContact CG1-CG 4.25Å; V1606-L1610 WeakPolarHBondContact O-CB 3.42Å; V1606-L1610 VanDerWaalsContact O-CG 3.31Å; V1606-L1610 WeakPolarHBondContact O-CG 3.45Å; V1606-L1610 PolarHBondContact O-N 2.81Å |
| 1607 | V | 88.6 | Confident | 86.6 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 174.7 | 162.8 | 0 | 0 | 0 | 0 | 111.7 | L1595 A1598 F1599 H1603 I1604 N1605 L1609 L1610 V1611 F1641 | L1595-V1607 HydrophobicContact CD1-CG1 4.21Å; L1595-V1607 HydrophobicContact CD1-CG2 4.38Å; A1598-V1607 HydrophobicContact CB-CG2 3.77Å; F1599-V1607 HydrophobicContact CB-CG2 4.27Å; H1603-V1607 WeakPolarHBondContact O-CB 3.43Å; H1603-V1607 WeakPolarHBondContact O-CG2 3.41Å; H1603-V1607 PolarHBondContact O-N 2.85Å; I1604-V1607 PolarHBondContact O-N 3.09Å; N1605-V1607 VanDerWaalsContact C-N 3.32Å; N1605-V1607 PolarHBondContact O-N 3.02Å; V1607-L1609 VanDerWaalsContact C-N 3.33Å; V1607-L1609 PolarHBondContact O-N 3.38Å; V1607-L1610 PolarHBondContact O-N 2.77Å; V1607-V1611 VanDerWaalsContact O-CG2 3.29Å; V1607-V1611 WeakPolarHBondContact O-CG2 3.48Å; V1607-V1611 PolarHBondContact O-N 2.77Å; V1607-V1611 VanDerWaalsContact O-N 3.1Å; V1607-F1641 HydrophobicContact CG1-CD2 3.69Å; V1607-F1641 HydrophobicContact CG1-CE2 3.61Å |
| 1608 | R | 87.9 | Confident | 85.8 | Confident | 148 Ų | 148 | 49.7 Ų | 49.7 | 56% | 0.558 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -58.9 | -43.9 | 176.8 | -80.4 | 170.2 | 164 | 171.6 | -10.1 | 111.8 | I1604 N1605 | I1604-R1608 WeakPolarHBondContact O-CG 3.39Å; I1604-R1608 PolarHBondContact O-N 2.98Å; N1605-R1608 PolarHBondContact O-N 2.91Å |
| 1609 | L | 91.5 | Very high | 85.1 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -55.2 | 176.6 | -178.5 | 69.7 | 0 | 0 | 0 | 111.1 | L1571 V1574 Q1575 I1578 N1605 V1606 V1607 V1611 Q1612 Y1613 | L1571-L1609 HydrophobicContact CD1-CB 4.33Å; L1571-L1609 HydrophobicContact CD1-CD2 3.87Å; V1574-L1609 HydrophobicContact CB-CD2 4.4Å; V1574-L1609 HydrophobicContact CG1-CD2 3.76Å; Q1575-L1609 HydrophobicContact CG-CD1 4.33Å; Q1575-L1609 HydrophobicContact CG-CD2 3.44Å; Q1575-L1609 VanDerWaalsContact CG-CD2 3.44Å; I1578-L1609 HydrophobicContact CD1-CD2 4.32Å; I1578-L1609 HydrophobicContact CD1-CG 4.42Å; N1605-L1609 WeakPolarHBondContact O-CB 3.44Å; N1605-L1609 PolarHBondContact O-N 3.27Å; V1606-L1609 PolarHBondContact O-N 2.84Å; V1607-L1609 VanDerWaalsContact C-N 3.33Å; V1607-L1609 PolarHBondContact O-N 3.38Å; L1609-V1611 VanDerWaalsContact C-N 3.28Å; L1609-V1611 PolarHBondContact O-N 3.4Å; L1609-Q1612 VanDerWaalsContact O-CB 3.32Å; L1609-Q1612 WeakPolarHBondContact O-CB 3.32Å; L1609-Q1612 PolarHBondContact O-N 3.34Å; L1609-Y1613 HydrophobicContact CD1-CE2 3.87Å; L1609-Y1613 HydrophobicContact CG-CE2 4.45Å; L1609-Y1613 WeakPolarHBondContact O-CD2 3.31Å |
| 1610 | L | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59 | -36 | -176.5 | -73.7 | 171.3 | 0 | 0 | 0 | 113 | V1574 I1578 V1584 C1594 L1595 A1598 V1606 V1607 Q1612 Y1613 V1614 | V1574-L1610 HydrophobicContact CG1-CD2 4.14Å; V1574-L1610 HydrophobicContact CG1-CG 4.38Å; I1578-L1610 HydrophobicContact CD1-CD2 4.13Å; V1584-L1610 HydrophobicContact CG1-CD2 4.42Å; C1594-L1610 HydrophobicContact CB-CD1 4.28Å; L1595-L1610 HydrophobicContact CB-CD1 4.46Å; L1595-L1610 HydrophobicContact CD1-CB 4.12Å; A1598-L1610 HydrophobicContact CB-CD1 4.21Å; V1606-L1610 HydrophobicContact CG1-CD1 3.71Å; V1606-L1610 HydrophobicContact CG1-CG 4.25Å; V1606-L1610 WeakPolarHBondContact O-CB 3.42Å; V1606-L1610 VanDerWaalsContact O-CG 3.31Å; V1606-L1610 WeakPolarHBondContact O-CG 3.45Å; V1606-L1610 PolarHBondContact O-N 2.81Å; V1607-L1610 PolarHBondContact O-N 2.77Å; L1610-Q1612 PolarHBondContact O-N 2.84Å; L1610-Y1613 PolarHBondContact O-N 3.05Å; L1610-V1614 WeakPolarHBondContact O-CG1 3.19Å; L1610-V1614 WeakPolarHBondContact O-CG2 3.31Å; L1610-V1614 PolarHBondContact O-N 2.87Å |
| 1611 | V | 87 | Confident | 84 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.3 | -23 | 176.5 | 168.1 | 0 | 0 | 0 | 0 | 113 | L1595 V1607 L1609 Y1613 F1617 F1644 H1648 | L1595-V1611 HydrophobicContact CD1-CG2 3.86Å; L1595-V1611 HydrophobicContact CD2-CG2 4.29Å; V1607-V1611 VanDerWaalsContact O-CG2 3.29Å; V1607-V1611 WeakPolarHBondContact O-CG2 3.48Å; V1607-V1611 PolarHBondContact O-N 2.77Å; V1607-V1611 VanDerWaalsContact O-N 3.1Å; L1609-V1611 VanDerWaalsContact C-N 3.28Å; L1609-V1611 PolarHBondContact O-N 3.4Å; V1611-Y1613 VanDerWaalsContact C-N 3.34Å; V1611-F1617 HydrophobicContact CG1-CE1 4.08Å; V1611-F1617 HydrophobicContact CG1-CZ 4.26Å; V1611-F1617 HydrophobicContact CG2-CE1 4.37Å; V1611-F1644 HydrophobicContact CB-CD1 4.39Å; V1611-F1644 HydrophobicContact CB-CE1 3.88Å; V1611-F1644 HydrophobicContact CG1-CD1 3.95Å; V1611-F1644 HydrophobicContact CG1-CE1 3.54Å; V1611-F1644 HydrophobicContact CG1-CZ 4.42Å; V1611-F1644 HydrophobicContact CG2-CD1 4.29Å; V1611-F1644 HydrophobicContact CG2-CE1 4.24Å; V1611-H1648 HydrophobicContact CG1-CB 4.05Å |
| 1612 | Q | 88 | Confident | 83.3 | Confident | 140 Ų | 140 | 63 Ų | 63 | 65% | 0.654 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -19 | 176.1 | -60.9 | 170.4 | -13.9 | 0 | 0 | 113.5 | L1609 L1610 | L1609-Q1612 VanDerWaalsContact O-CB 3.32Å; L1609-Q1612 WeakPolarHBondContact O-CB 3.32Å; L1609-Q1612 PolarHBondContact O-N 3.34Å; L1610-Q1612 PolarHBondContact O-N 2.84Å |
| 1613 | Y | 90 | Very high | 82.6 | Confident | 120 Ų | 120 | 63 Ų | 63 | 47% | 0.471 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -26.8 | -172.2 | -64.1 | -87.3 | 0 | 0 | 0 | 114.4 | I1578 V1584 L1609 L1610 V1611 T1615 | I1578-Y1613 HydrophobicContact CD1-CD2 4.25Å; I1578-Y1613 HydrophobicContact CG2-CD1 3.93Å; I1578-Y1613 HydrophobicContact CG2-CD2 4.4Å; I1578-Y1613 HydrophobicContact CG2-CE1 3.95Å; I1578-Y1613 HydrophobicContact CG2-CE2 4.45Å; I1578-Y1613 HydrophobicContact CG2-CG 4.17Å; V1584-Y1613 WeakPolarHBondContact CG2-O 3.25Å; L1609-Y1613 HydrophobicContact CD1-CE2 3.87Å; L1609-Y1613 HydrophobicContact CG-CE2 4.45Å; L1609-Y1613 WeakPolarHBondContact O-CD2 3.31Å; L1610-Y1613 PolarHBondContact O-N 3.05Å; V1611-Y1613 VanDerWaalsContact C-N 3.34Å; Y1613-T1615 PolarHBondContact O-N 3.07Å |
| 1614 | V | 86 | Confident | 81.7 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | trans | -61.7 | 137.8 | -178.7 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | V1584 L1595 L1610 F1617 | V1584-V1614 HydrophobicContact CB-CG1 4.27Å; V1584-V1614 HydrophobicContact CG2-CG1 4.47Å; L1595-V1614 HydrophobicContact CB-CG1 4.33Å; L1595-V1614 HydrophobicContact CD2-CG2 4.15Å; L1610-V1614 WeakPolarHBondContact O-CG1 3.19Å; L1610-V1614 WeakPolarHBondContact O-CG2 3.31Å; L1610-V1614 PolarHBondContact O-N 2.87Å; V1614-F1617 HydrophobicContact CG2-CD1 4.24Å; V1614-F1617 HydrophobicContact CG2-CE1 3.82Å; V1614-F1617 HydrophobicContact CG2-CE2 4.22Å; V1614-F1617 HydrophobicContact CG2-CZ 3.81Å | ||
| 1615 | T | 84.7 | Confident | 80.9 | Confident | 112 Ų | 112 | 68.9 Ų | 68.9 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -104.3 | -10.6 | 174.1 | 56.7 | 0 | 0 | 0 | 0 | 112.3 | N1585 Y1613 | N1585-T1615 PolarHBondContact ND2-OG1 2.78Å; N1585-T1615 PolarHBondContact OD1-N 2.95Å; N1585-T1615 PolarHBondContact OD1-OG1 2.94Å; Y1613-T1615 PolarHBondContact O-N 3.07Å |
| 1616 | Q | 80.7 | Confident | 79.8 | Confident | 123 Ų | 123 | 65.7 Ų | 65.7 | 58% | 0.575 | 31% | 0.312 | S | S | * | . | trans | -121.6 | 93.3 | 176.4 | -62.6 | -177.5 | 40.7 | 0 | 0 | 111.3 | N1585 | N1585-Q1616 PolarHBondContact OD1-N 3.38Š| ||
| 1617 | F | 78.4 | Confident | 78.6 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 24% | 0.237 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 140.1 | 170.3 | -71.7 | -85.6 | 0 | 0 | 0 | 111.4 | L1595 V1611 V1614 I1645 H1648 M1649 | L1595-F1617 HydrophobicContact CD2-CD1 4.49Å; V1611-F1617 HydrophobicContact CG1-CE1 4.08Å; V1611-F1617 HydrophobicContact CG1-CZ 4.26Å; V1611-F1617 HydrophobicContact CG2-CE1 4.37Å; V1614-F1617 HydrophobicContact CG2-CD1 4.24Å; V1614-F1617 HydrophobicContact CG2-CE1 3.82Å; V1614-F1617 HydrophobicContact CG2-CE2 4.22Å; V1614-F1617 HydrophobicContact CG2-CZ 3.81Å; F1617-I1645 HydrophobicContact CD1-CD1 4.38Å; F1617-I1645 HydrophobicContact CD1-CG1 4.21Å; F1617-I1645 HydrophobicContact CD1-CG2 4.08Å; F1617-I1645 HydrophobicContact CE1-CG1 4.42Å; F1617-H1648 HydrophobicContact CE1-CB 4.47Å; F1617-H1648 HydrophobicContact CZ-CB 4.06Å; F1617-M1649 HydrophobicContact CB-CE 3.51Å; F1617-M1649 HydrophobicContact CB-CG 4.24Å; F1617-M1649 HydrophobicContact CD2-CG 4.41Å; F1617-M1649 HydrophobicContact CG-CE 4.4Å; F1617-M1649 HydrophobicContact CG-CG 4.21Å |
| 1618 | P | 73.5 | Confident | 77.4 | Confident | 16 Ų | 16 | 75.1 Ų | 75.1 | 10% | 0.104 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 143.1 | 177.5 | 26.8 | -33.6 | 0 | 0 | 0 | 112 | M1596 D1622 I1645 | M1596-P1618 HydrophobicContact CE-CB 3.39Å; M1596-P1618 HydrophobicContact CE-CG 3.58Å; M1596-P1618 HydrophobicContact CG-CB 4.12Å; M1596-P1618 HydrophobicContact CG-CG 4.14Å; M1596-P1618 HydrophobicContact SD-CB 4.5Å; M1596-P1618 HydrophobicContact SD-CG 4.33Å; P1618-D1622 HydrophobicContact CB-CB 4.29Å; P1618-I1645 HydrophobicContact CG-CD1 4.41Å |
| 1619 | S | 74.3 | Confident | 76.2 | Confident | 53 Ų | 53 | 72.1 Ų | 72.1 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 157.5 | 179.9 | 83.6 | 0 | 0 | 0 | 0 | 112.4 | K1621 D1622 C1623 | S1619-K1621 PolarHBondContact O-N 3.22Å; S1619-K1621 VanDerWaalsContact O-N 3.09Å; S1619-K1621 PolarHBondContact OG-N 2.77Å; S1619-D1622 WeakPolarHBondContact CB-OD2 3.37Å; S1619-D1622 CarbonylContact O-C 3.2Å; S1619-D1622 WeakPolarHBondContact O-CA 3.42Å; S1619-D1622 WeakPolarHBondContact O-CB 3.18Å; S1619-D1622 PolarHBondContact O-N 3.27Å; S1619-D1622 PolarHBondContact OG-N 2.78Å; S1619-D1622 PolarHBondContact OG-OD2 2.73Å; S1619-C1623 PolarHBondContact O-N 2.97Å |
| 1620 | D | 69.7 | Low | 74.6 | Confident | 111 Ų | 111 | 71.6 Ų | 71.6 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -49.4 | -38.8 | 173.3 | -68.5 | -31.4 | 0 | 0 | 0 | 113 | D1622 C1623 I1624 | D1620-D1622 VanDerWaalsContact C-N 3.28Å; D1620-D1622 PolarHBondContact O-N 2.84Å; D1620-C1623 PolarHBondContact O-N 3.26Å; D1620-I1624 VanDerWaalsContact O-CB 3.31Å; D1620-I1624 WeakPolarHBondContact O-CB 3.18Å; D1620-I1624 WeakPolarHBondContact O-CD1 2.91Å; D1620-I1624 WeakPolarHBondContact O-CG1 2.94Å; D1620-I1624 PolarHBondContact O-N 3.04Å |
| 1621 | K | 72.6 | Confident | 72.8 | Confident | 167 Ų | 167 | 76.7 Ų | 76.7 | 73% | 0.726 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68.4 | -28.2 | 179 | -67.1 | 177.5 | -179 | 172 | 0 | 112.4 | S1619 R1625 | S1619-K1621 PolarHBondContact O-N 3.22Å; S1619-K1621 VanDerWaalsContact O-N 3.09Å; S1619-K1621 PolarHBondContact OG-N 2.77Å; K1621-R1625 WeakPolarHBondContact O-CB 3.45Å; K1621-R1625 PolarHBondContact O-N 2.84Å; K1621-R1625 PolarHBondContact O-NH2 3.27Å; K1621-R1625 VanDerWaalsContact O-NH2 3.12Å |
| 1622 | D | 68.5 | Low | 71.2 | Confident | 49 Ų | 49 | 77.1 Ų | 77.1 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -82.1 | -47.7 | 173.6 | -59 | -60.8 | 0 | 0 | 0 | 110.1 | M1596 P1618 S1619 D1620 I1624 R1625 H1626 | M1596-D1622 HydrophobicContact CE-CB 4.19Å; P1618-D1622 HydrophobicContact CB-CB 4.29Å; S1619-D1622 WeakPolarHBondContact CB-OD2 3.37Å; S1619-D1622 CarbonylContact O-C 3.2Å; S1619-D1622 WeakPolarHBondContact O-CA 3.42Å; S1619-D1622 WeakPolarHBondContact O-CB 3.18Å; S1619-D1622 PolarHBondContact O-N 3.27Å; S1619-D1622 PolarHBondContact OG-N 2.78Å; S1619-D1622 PolarHBondContact OG-OD2 2.73Å; D1620-D1622 VanDerWaalsContact C-N 3.28Å; D1620-D1622 PolarHBondContact O-N 2.84Å; D1622-I1624 PolarHBondContact O-N 2.62Å; D1622-R1625 WeakPolarHBondContact O-CA 3.46Å; D1622-R1625 WeakPolarHBondContact O-CB 3.08Å; D1622-R1625 PolarHBondContact O-N 2.91Å; D1622-R1625 IonicContact OD1-CZ 3.97Å; D1622-R1625 IonicContact OD1-NH1 3.86Å; D1622-R1625 PolarHBondContact OD1-NH1 2.88Å; D1622-R1625 IonicContact OD1-NH2 3.83Å; D1622-R1625 PolarHBondContact OD1-NH2 3.48Å; D1622-H1626 PolarHBondContact O-N 2.86Å; D1622-H1626 PolarHBondContact O-ND1 3.35Å |
| 1623 | C | 67.8 | Low | 69.5 | Low | 3 Ų | 3 | 78.1 Ų | 78.1 | 2% | 0.02 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -48.4 | -54.4 | 171.6 | -72.5 | 0 | 0 | 0 | 0 | 111.6 | M1596 S1619 D1620 R1625 H1626 I1627 | M1596-C1623 HydrophobicContact CE-CB 4.46Å; S1619-C1623 PolarHBondContact O-N 2.97Å; D1620-C1623 PolarHBondContact O-N 3.26Å; C1623-R1625 VanDerWaalsContact C-N 3.31Å; C1623-R1625 PolarHBondContact O-N 2.69Å; C1623-H1626 PolarHBondContact O-N 3.03Å; C1623-H1626 VanDerWaalsContact O-N 3.13Å; C1623-I1627 HydrophobicContact CB-CD1 4.43Å; C1623-I1627 VanDerWaalsContact O-CB 3.31Å; C1623-I1627 WeakPolarHBondContact O-CB 3.46Å; C1623-I1627 WeakPolarHBondContact O-CD1 3.1Å; C1623-I1627 WeakPolarHBondContact O-CG1 3Å; C1623-I1627 PolarHBondContact O-N 3.39Å |
| 1624 | I | 69.3 | Low | 67.8 | Low | 93 Ų | 93 | 75.6 Ų | 75.6 | 48% | 0.477 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 178.2 | -68.3 | 164.2 | 0 | 0 | 0 | 111.8 | D1620 D1622 K1628 | D1620-I1624 VanDerWaalsContact O-CB 3.31Å; D1620-I1624 WeakPolarHBondContact O-CB 3.18Å; D1620-I1624 WeakPolarHBondContact O-CD1 2.91Å; D1620-I1624 WeakPolarHBondContact O-CG1 2.94Å; D1620-I1624 PolarHBondContact O-N 3.04Å; D1622-I1624 PolarHBondContact O-N 2.62Å; I1624-K1628 HydrophobicContact CG2-CD 4.43Å; I1624-K1628 WeakPolarHBondContact O-CB 3.18Å; I1624-K1628 VanDerWaalsContact O-CG 3.32Å; I1624-K1628 WeakPolarHBondContact O-CG 3.45Å; I1624-K1628 PolarHBondContact O-N 2.7Å; I1624-K1628 VanDerWaalsContact O-N 3.16Å |
| 1625 | R | 70 | Confident | 66.3 | Low | 134 Ų | 134 | 79.9 Ų | 79.9 | 51% | 0.506 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.1 | -36.4 | 176.7 | -162.6 | -171.7 | -47 | 119.8 | 23.1 | 112.2 | K1621 D1622 C1623 T1629 | K1621-R1625 WeakPolarHBondContact O-CB 3.45Å; K1621-R1625 PolarHBondContact O-N 2.84Å; K1621-R1625 PolarHBondContact O-NH2 3.27Å; K1621-R1625 VanDerWaalsContact O-NH2 3.12Å; D1622-R1625 WeakPolarHBondContact O-CA 3.46Å; D1622-R1625 WeakPolarHBondContact O-CB 3.08Å; D1622-R1625 PolarHBondContact O-N 2.91Å; D1622-R1625 IonicContact OD1-CZ 3.97Å; D1622-R1625 IonicContact OD1-NH1 3.86Å; D1622-R1625 PolarHBondContact OD1-NH1 2.88Å; D1622-R1625 IonicContact OD1-NH2 3.83Å; D1622-R1625 PolarHBondContact OD1-NH2 3.48Å; C1623-R1625 VanDerWaalsContact C-N 3.31Å; C1623-R1625 PolarHBondContact O-N 2.69Å; R1625-T1629 PolarHBondContact O-OG1 2.82Å |
| 1626 | H | 65.6 | Low | 64.8 | Low | 8 Ų | 8 | 78.5 Ų | 78.5 | 4% | 0.037 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -79.6 | -38 | 179 | -67.8 | 62.5 | 0 | 0 | 0 | 111.4 | M1596 F1599 R1600 D1622 C1623 K1628 T1629 A1630 | M1596-H1626 HydrophobicContact CE-CB 3.9Å; M1596-H1626 HydrophobicContact SD-CB 3.74Å; M1596-H1626 PolarHBondContact SD-CD2 3.35Å; F1599-H1626 HydrophobicContact CD1-CB 4.38Å; F1599-H1626 HydrophobicContact CE1-CB 4.32Å; R1600-H1626 HydrophobicContact CG-CB 4.35Å; R1600-H1626 VanDerWaalsContact CZ-CD2 3.46Å; R1600-H1626 PolarHBondContact NE-CD2 3.45Å; R1600-H1626 PolarHBondContact NH2-CD2 2.58Å; R1600-H1626 VanDerWaalsContact NH2-CD2 3.26Å; R1600-H1626 PolarHBondContact NH2-CE1 2.84Å; R1600-H1626 PolarHBondContact NH2-NE2 3.41Å; D1622-H1626 PolarHBondContact O-N 2.86Å; D1622-H1626 PolarHBondContact O-ND1 3.35Å; C1623-H1626 PolarHBondContact O-N 3.03Å; C1623-H1626 VanDerWaalsContact O-N 3.13Å; H1626-K1628 VanDerWaalsContact C-N 3.26Å; H1626-K1628 PolarHBondContact O-N 3.38Å; H1626-T1629 WeakPolarHBondContact CA-OG1 3.09Å; H1626-T1629 CarbonylContact O-C 3.48Å; H1626-T1629 PolarHBondContact O-N 2.89Å; H1626-T1629 PolarHBondContact O-OG1 3.12Å; H1626-A1630 PolarHBondContact O-N 2.91Å |
| 1627 | I | 65.2 | Low | 63.7 | Low | 31 Ų | 31 | 73.6 Ų | 73.6 | 16% | 0.159 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60 | -34.6 | 173.8 | -74.7 | 165.4 | 0 | 0 | 0 | 112.2 | F1599 C1623 T1629 K1638 L1642 | F1599-I1627 HydrophobicContact CE1-CG1 3.87Å; F1599-I1627 HydrophobicContact CZ-CG1 3.76Å; C1623-I1627 HydrophobicContact CB-CD1 4.43Å; C1623-I1627 VanDerWaalsContact O-CB 3.31Å; C1623-I1627 WeakPolarHBondContact O-CB 3.46Å; C1623-I1627 WeakPolarHBondContact O-CD1 3.1Å; C1623-I1627 WeakPolarHBondContact O-CG1 3Å; C1623-I1627 PolarHBondContact O-N 3.39Å; I1627-T1629 VanDerWaalsContact C-N 3.3Å; I1627-K1638 HydrophobicContact CG2-CD 4.14Å; I1627-K1638 PolarHBondContact O-NZ 2.85Å; I1627-L1642 HydrophobicContact CD1-CD1 3.92Å; I1627-L1642 HydrophobicContact CD1-CD2 3.85Å; I1627-L1642 HydrophobicContact CD1-CG 3.95Å |
| 1628 | K | 64.6 | Low | 62.7 | Low | 173 Ų | 173 | 73.4 Ų | 73.4 | 75% | 0.752 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.2 | 173 | -75 | -179.2 | 177.9 | -171.6 | 0 | 114.6 | I1624 H1626 | I1624-K1628 HydrophobicContact CG2-CD 4.43Å; I1624-K1628 WeakPolarHBondContact O-CB 3.18Å; I1624-K1628 VanDerWaalsContact O-CG 3.32Å; I1624-K1628 WeakPolarHBondContact O-CG 3.45Å; I1624-K1628 PolarHBondContact O-N 2.7Å; I1624-K1628 VanDerWaalsContact O-N 3.16Å; H1626-K1628 VanDerWaalsContact C-N 3.26Å; H1626-K1628 PolarHBondContact O-N 3.38Å |
| 1629 | T | 61.6 | Low | 62 | Low | 85 Ų | 85 | 76 Ų | 76 | 52% | 0.521 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -3.1 | -179.4 | 44.8 | 0 | 0 | 0 | 0 | 113.9 | R1625 H1626 I1627 V1631 | R1625-T1629 PolarHBondContact O-OG1 2.82Å; H1626-T1629 WeakPolarHBondContact CA-OG1 3.09Å; H1626-T1629 CarbonylContact O-C 3.48Å; H1626-T1629 PolarHBondContact O-N 2.89Å; H1626-T1629 PolarHBondContact O-OG1 3.12Å; I1627-T1629 VanDerWaalsContact C-N 3.3Å; T1629-V1631 PolarHBondContact O-N 3.09Å |
| 1630 | A | 58.1 | Low | 61.2 | Low | 11 Ų | 11 | 77.4 Ų | 77.4 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | trans | -77.3 | 115.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H1626 T1632 K1638 | H1626-A1630 PolarHBondContact O-N 2.91Å; A1630-T1632 PolarHBondContact O-N 3.47Å; A1630-K1638 PolarHBondContact O-NZ 2.89Å | ||
| 1631 | V | 53.9 | Low | 60.7 | Low | 107 Ų | 107 | 72.3 Ų | 72.3 | 65% | 0.648 | 38% | 0.377 | S | S | * | . | trans | -77.2 | 32.9 | -168.9 | -158.6 | 0 | 0 | 0 | 0 | 113.2 | T1629 | T1629-V1631 PolarHBondContact O-N 3.09Š| ||
| 1632 | T | 53.2 | Low | 60.3 | Low | 17 Ų | 17 | 68 Ų | 68 | 10% | 0.104 | 36% | 0.361 | C | S | . | . | trans | -130.7 | 122.9 | -175.4 | 63.2 | 0 | 0 | 0 | 0 | 112.4 | A1630 K1634 K1638 | A1630-T1632 PolarHBondContact O-N 3.47Å; T1632-K1634 PolarHBondContact O-N 3.18Å; T1632-K1634 VanDerWaalsContact O-N 3.1Å; T1632-K1638 WeakPolarHBondContact O-CE 3.27Å | ||
| 1633 | D | 52.1 | Low | 59.9 | Low | 161 Ų | 161 | 73 Ų | 73 | 86% | 0.861 | 38% | 0.38 | S | S | * | . | trans | -74.8 | 9 | 178.4 | -59.3 | -53.7 | 0 | 0 | 0 | 114.7 | V1635 | D1633-V1635 PolarHBondContact O-N 2.79Š| ||
| 1634 | K | 53 | Low | 59.5 | Low | 66 Ų | 66 | 76 Ų | 76 | 29% | 0.287 | 39% | 0.393 | S | S | . | . | trans | -72.3 | 79.2 | 172.6 | -63.6 | -169.3 | -176.3 | -177.5 | 0 | 110.1 | N1052 T1632 S1636 F1637 K1638 | N1052-K1634 WeakPolarHBondContact OD1-CE 3.08Å; N1052-K1634 PolarHBondContact OD1-NZ 2.95Å; T1632-K1634 PolarHBondContact O-N 3.18Å; T1632-K1634 VanDerWaalsContact O-N 3.1Å; K1634-S1636 PolarHBondContact O-N 3.13Å; K1634-F1637 HydrophobicContact CB-CB 3.95Å; K1634-F1637 WeakPolarHBondContact O-CB 3.45Å; K1634-F1637 PolarHBondContact O-N 3.44Å; K1634-K1638 PolarHBondContact O-N 3.02Å | ||
| 1635 | V | 54.7 | Low | 59 | Low | 104 Ų | 104 | 72 Ų | 72 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -49.5 | -41.4 | 171.2 | 178.3 | 0 | 0 | 0 | 0 | 111 | D1633 F1637 K1638 V1639 | D1633-V1635 PolarHBondContact O-N 2.79Å; V1635-F1637 VanDerWaalsContact C-N 3.33Å; V1635-F1637 PolarHBondContact O-N 2.68Å; V1635-K1638 PolarHBondContact O-N 3.46Å; V1635-K1638 VanDerWaalsContact O-N 3.12Å; V1635-V1639 HydrophobicContact CG1-CG2 4.42Å; V1635-V1639 PolarHBondContact O-N 3.32Å |
| 1636 | S | 54.6 | Low | 58.6 | Low | 83 Ų | 83 | 72.9 Ų | 72.9 | 58% | 0.58 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -48.4 | -47.3 | 170.4 | 156 | 0 | 0 | 0 | 0 | 113.2 | K1634 K1638 V1639 V1640 | K1634-S1636 PolarHBondContact O-N 3.13Å; S1636-K1638 PolarHBondContact O-N 3.32Å; S1636-V1639 PolarHBondContact O-N 3.16Å; S1636-V1640 WeakPolarHBondContact O-CB 3.36Å; S1636-V1640 VanDerWaalsContact O-CG2 3.28Å; S1636-V1640 WeakPolarHBondContact O-CG2 3.38Å; S1636-V1640 PolarHBondContact O-N 2.83Å |
| 1637 | F | 56.4 | Low | 58.3 | Low | 19 Ų | 19 | 79.9 Ų | 79.9 | 8% | 0.083 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.3 | -38 | 179.9 | -176 | -113.3 | 0 | 0 | 0 | 112.1 | F1599 I1604 K1634 V1635 V1640 F1641 | F1599-F1637 AromaticContact CD2-CE1 3.59Å; F1599-F1637 HydrophobicContact CD2-CE1 3.59Å; F1599-F1637 AromaticContact CD2-CZ 3.97Å; F1599-F1637 HydrophobicContact CD2-CZ 3.97Å; F1599-F1637 HydrophobicContact CE2-CD1 4.11Å; F1599-F1637 AromaticContact CE2-CE1 3.58Å; F1599-F1637 HydrophobicContact CE2-CE1 3.58Å; F1599-F1637 HydrophobicContact CE2-CZ 4.27Å; I1604-F1637 HydrophobicContact CB-CE2 4.25Å; I1604-F1637 HydrophobicContact CD1-CD2 3.97Å; I1604-F1637 HydrophobicContact CD1-CE2 4.1Å; I1604-F1637 HydrophobicContact CG1-CD2 4.04Å; I1604-F1637 HydrophobicContact CG1-CE2 3.65Å; I1604-F1637 HydrophobicContact CG1-CZ 4.36Å; I1604-F1637 HydrophobicContact CG2-CE2 4.21Å; K1634-F1637 HydrophobicContact CB-CB 3.95Å; K1634-F1637 WeakPolarHBondContact O-CB 3.45Å; K1634-F1637 PolarHBondContact O-N 3.44Å; V1635-F1637 VanDerWaalsContact C-N 3.33Å; V1635-F1637 PolarHBondContact O-N 2.68Å; F1637-V1640 PolarHBondContact O-N 2.94Å; F1637-F1641 VanDerWaalsContact O-CB 3.3Å; F1637-F1641 WeakPolarHBondContact O-CB 3.31Å; F1637-F1641 PolarHBondContact O-N 3.37Å |
| 1638 | K | 58.5 | Low | 57.8 | Low | 51 Ų | 51 | 82.7 Ų | 82.7 | 22% | 0.222 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 176.2 | -64.7 | 177.8 | 177.1 | -166 | 0 | 111.5 | I1627 A1630 T1632 K1634 V1635 S1636 L1642 | I1627-K1638 HydrophobicContact CG2-CD 4.14Å; I1627-K1638 PolarHBondContact O-NZ 2.85Å; A1630-K1638 PolarHBondContact O-NZ 2.89Å; T1632-K1638 WeakPolarHBondContact O-CE 3.27Å; K1634-K1638 PolarHBondContact O-N 3.02Å; V1635-K1638 PolarHBondContact O-N 3.46Å; V1635-K1638 VanDerWaalsContact O-N 3.12Å; S1636-K1638 PolarHBondContact O-N 3.32Å; K1638-L1642 WeakPolarHBondContact O-CG 3.49Å; K1638-L1642 PolarHBondContact O-N 2.83Å |
| 1639 | V | 58.9 | Low | 57.1 | Low | 70 Ų | 70 | 81 Ų | 81 | 42% | 0.424 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.5 | -42.6 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 112.1 | V1635 S1636 K1643 | V1635-V1639 HydrophobicContact CG1-CG2 4.42Å; V1635-V1639 PolarHBondContact O-N 3.32Å; S1636-V1639 PolarHBondContact O-N 3.16Å; V1639-K1643 HydrophobicContact CG1-CD 4.29Å; V1639-K1643 WeakPolarHBondContact O-CB 3.33Å; V1639-K1643 WeakPolarHBondContact O-CG 3.43Å; V1639-K1643 PolarHBondContact O-N 2.88Å |
| 1640 | V | 56.2 | Low | 56.9 | Low | 83 Ų | 83 | 80.8 Ų | 80.8 | 50% | 0.503 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 177.8 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | S1636 F1637 L1642 K1643 F1644 | S1636-V1640 WeakPolarHBondContact O-CB 3.36Å; S1636-V1640 VanDerWaalsContact O-CG2 3.28Å; S1636-V1640 WeakPolarHBondContact O-CG2 3.38Å; S1636-V1640 PolarHBondContact O-N 2.83Å; F1637-V1640 PolarHBondContact O-N 2.94Å; V1640-L1642 PolarHBondContact O-N 2.77Å; V1640-K1643 PolarHBondContact O-N 3.47Å; V1640-F1644 VanDerWaalsContact O-CB 3.23Å; V1640-F1644 WeakPolarHBondContact O-CB 2.91Å; V1640-F1644 PolarHBondContact O-N 2.92Å |
| 1641 | F | 60.6 | Low | 56.8 | Low | 4 Ų | 4 | 84.4 Ų | 84.4 | 2% | 0.018 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 179.3 | -176.9 | -105.2 | 0 | 0 | 0 | 112.7 | L1595 F1599 V1607 F1637 F1644 I1645 | L1595-F1641 HydrophobicContact CD1-CE2 4.27Å; F1599-F1641 HydrophobicContact CB-CE1 4.27Å; F1599-F1641 HydrophobicContact CB-CE2 3.92Å; F1599-F1641 HydrophobicContact CB-CZ 3.67Å; F1599-F1641 HydrophobicContact CD1-CD1 4.26Å; F1599-F1641 AromaticContact CD1-CE1 3.72Å; F1599-F1641 HydrophobicContact CD1-CE1 3.72Å; F1599-F1641 HydrophobicContact CD1-CZ 4Å; F1599-F1641 HydrophobicContact CD2-CB 4.13Å; F1599-F1641 AromaticContact CD2-CD1 3.43Å; F1599-F1641 HydrophobicContact CD2-CD1 3.43Å; F1599-F1641 VanDerWaalsContact CD2-CD1 3.43Å; F1599-F1641 AromaticContact CD2-CD2 3.51Å; F1599-F1641 HydrophobicContact CD2-CD2 3.51Å; F1599-F1641 AromaticContact CD2-CE1 3.49Å; F1599-F1641 HydrophobicContact CD2-CE1 3.49Å; F1599-F1641 VanDerWaalsContact CD2-CE1 3.49Å; F1599-F1641 AromaticContact CD2-CE2 3.57Å; F1599-F1641 HydrophobicContact CD2-CE2 3.57Å; F1599-F1641 AromaticContact CD2-CG 3.41Å; F1599-F1641 HydrophobicContact CD2-CG 3.41Å; F1599-F1641 VanDerWaalsContact CD2-CG 3.41Å; F1599-F1641 AromaticContact CD2-CZ 3.54Å; F1599-F1641 HydrophobicContact CD2-CZ 3.54Å; F1599-F1641 HydrophobicContact CE1-CD1 4.07Å; F1599-F1641 AromaticContact CE1-CE1 3.89Å; F1599-F1641 HydrophobicContact CE1-CE1 3.89Å; F1599-F1641 HydrophobicContact CE2-CB 3.68Å; F1599-F1641 AromaticContact CE2-CD1 3.21Å; F1599-F1641 HydrophobicContact CE2-CD1 3.21Å; F1599-F1641 AromaticContact CE2-CD2 3.95Å; F1599-F1641 HydrophobicContact CE2-CD2 3.95Å; F1599-F1641 AromaticContact CE2-CE1 3.69Å; F1599-F1641 HydrophobicContact CE2-CE1 3.69Å; F1599-F1641 HydrophobicContact CE2-CE2 4.35Å; F1599-F1641 AromaticContact CE2-CG 3.34Å; F1599-F1641 HydrophobicContact CE2-CG 3.34Å; F1599-F1641 HydrophobicContact CE2-CZ 4.21Å; F1599-F1641 AromaticContact CG-CD1 3.96Å; F1599-F1641 HydrophobicContact CG-CD1 3.96Å; F1599-F1641 HydrophobicContact CG-CD2 4.25Å; F1599-F1641 AromaticContact CG-CE1 3.51Å; F1599-F1641 HydrophobicContact CG-CE1 3.51Å; F1599-F1641 AromaticContact CG-CE2 3.84Å; F1599-F1641 HydrophobicContact CG-CE2 3.84Å; F1599-F1641 HydrophobicContact CG-CG 4.29Å; F1599-F1641 AromaticContact CG-CZ 3.42Å; F1599-F1641 HydrophobicContact CG-CZ 3.42Å; F1599-F1641 VanDerWaalsContact CG-CZ 3.42Å; F1599-F1641 AromaticContact CZ-CD1 3.56Å; F1599-F1641 HydrophobicContact CZ-CD1 3.56Å; F1599-F1641 AromaticContact CZ-CE1 3.88Å; F1599-F1641 HydrophobicContact CZ-CE1 3.88Å; F1599-F1641 HydrophobicContact CZ-CG 4.16Å; V1607-F1641 HydrophobicContact CG1-CD2 3.69Å; V1607-F1641 HydrophobicContact CG1-CE2 3.61Å; F1637-F1641 VanDerWaalsContact O-CB 3.3Å; F1637-F1641 WeakPolarHBondContact O-CB 3.31Å; F1637-F1641 PolarHBondContact O-N 3.37Å; F1641-F1644 PolarHBondContact O-N 3.27Å; F1641-I1645 HydrophobicContact CD1-CD1 4.17Å; F1641-I1645 HydrophobicContact CD2-CD1 4.48Å; F1641-I1645 HydrophobicContact CE1-CD1 3.51Å; F1641-I1645 HydrophobicContact CE2-CD1 3.86Å; F1641-I1645 HydrophobicContact CE2-CG1 4.39Å; F1641-I1645 HydrophobicContact CZ-CD1 3.35Å; F1641-I1645 HydrophobicContact CZ-CG1 4.32Å; F1641-I1645 PolarHBondContact O-N 2.87Å |
| 1642 | L | 62.5 | Low | 57 | Low | 76 Ų | 76 | 83.2 Ų | 83.2 | 40% | 0.398 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 175.2 | -76.7 | 172.4 | 0 | 0 | 0 | 112.1 | I1627 K1638 V1640 F1644 H1646 | I1627-L1642 HydrophobicContact CD1-CD1 3.92Å; I1627-L1642 HydrophobicContact CD1-CD2 3.85Å; I1627-L1642 HydrophobicContact CD1-CG 3.95Å; K1638-L1642 WeakPolarHBondContact O-CG 3.49Å; K1638-L1642 PolarHBondContact O-N 2.83Å; V1640-L1642 PolarHBondContact O-N 2.77Å; L1642-F1644 VanDerWaalsContact C-N 3.33Å; L1642-F1644 PolarHBondContact O-N 2.84Å; L1642-H1646 WeakPolarHBondContact O-CB 3.45Å; L1642-H1646 PolarHBondContact O-N 2.86Å |
| 1643 | K | 60.3 | Low | 57.2 | Low | 153 Ų | 153 | 87.1 Ų | 87.1 | 67% | 0.665 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.1 | -36.6 | 175.4 | -76.7 | -173.4 | 173.7 | -169.6 | 0 | 112.7 | V1639 V1640 H1646 F1647 | V1639-K1643 HydrophobicContact CG1-CD 4.29Å; V1639-K1643 WeakPolarHBondContact O-CB 3.33Å; V1639-K1643 WeakPolarHBondContact O-CG 3.43Å; V1639-K1643 PolarHBondContact O-N 2.88Å; V1640-K1643 PolarHBondContact O-N 3.47Å; K1643-H1646 CarbonylContact O-C 3.52Å; K1643-H1646 PolarHBondContact O-N 3.11Å; K1643-F1647 WeakPolarHBondContact O-CB 3.11Å; K1643-F1647 PolarHBondContact O-N 3.13Å; K1643-F1647 VanDerWaalsContact O-N 3.14Å |
| 1644 | F | 59.4 | Low | 57.5 | Low | 66 Ų | 66 | 82.4 Ų | 82.4 | 29% | 0.289 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -73.9 | -41.4 | -177.4 | -164.1 | -111.7 | 0 | 0 | 0 | 111.8 | V1611 V1640 F1641 L1642 F1647 H1648 | V1611-F1644 HydrophobicContact CB-CD1 4.39Å; V1611-F1644 HydrophobicContact CB-CE1 3.88Å; V1611-F1644 HydrophobicContact CG1-CD1 3.95Å; V1611-F1644 HydrophobicContact CG1-CE1 3.54Å; V1611-F1644 HydrophobicContact CG1-CZ 4.42Å; V1611-F1644 HydrophobicContact CG2-CD1 4.29Å; V1611-F1644 HydrophobicContact CG2-CE1 4.24Å; V1640-F1644 VanDerWaalsContact O-CB 3.23Å; V1640-F1644 WeakPolarHBondContact O-CB 2.91Å; V1640-F1644 PolarHBondContact O-N 2.92Å; F1641-F1644 PolarHBondContact O-N 3.27Å; L1642-F1644 VanDerWaalsContact C-N 3.33Å; L1642-F1644 PolarHBondContact O-N 2.84Å; F1644-F1647 PolarHBondContact O-N 3.13Å; F1644-H1648 AromaticContact CE1-CD2 3.93Å; F1644-H1648 AromaticContact CE2-CD2 3.91Å; F1644-H1648 AromaticContact CE2-NE2 3.6Å; F1644-H1648 AromaticContact CZ-CD2 3.79Å; F1644-H1648 AromaticContact CZ-NE2 3.53Å; F1644-H1648 PolarHBondContact O-CD2 2.88Å; F1644-H1648 PolarHBondContact O-N 3.11Å |
| 1645 | I | 60.3 | Low | 57.8 | Low | 9 Ų | 9 | 83.5 Ų | 83.5 | 5% | 0.046 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 169.8 | -72.8 | -174.3 | 0 | 0 | 0 | 110.7 | F1617 P1618 F1641 F1647 H1648 M1649 | F1617-I1645 HydrophobicContact CD1-CD1 4.38Å; F1617-I1645 HydrophobicContact CD1-CG1 4.21Å; F1617-I1645 HydrophobicContact CD1-CG2 4.08Å; F1617-I1645 HydrophobicContact CE1-CG1 4.42Å; P1618-I1645 HydrophobicContact CG-CD1 4.41Å; F1641-I1645 HydrophobicContact CD1-CD1 4.17Å; F1641-I1645 HydrophobicContact CD2-CD1 4.48Å; F1641-I1645 HydrophobicContact CE1-CD1 3.51Å; F1641-I1645 HydrophobicContact CE2-CD1 3.86Å; F1641-I1645 HydrophobicContact CE2-CG1 4.39Å; F1641-I1645 HydrophobicContact CZ-CD1 3.35Å; F1641-I1645 HydrophobicContact CZ-CG1 4.32Å; F1641-I1645 PolarHBondContact O-N 2.87Å; I1645-F1647 PolarHBondContact O-N 2.68Å; I1645-H1648 PolarHBondContact O-N 2.77Å; I1645-M1649 HydrophobicContact CG2-CE 3.7Å; I1645-M1649 HydrophobicContact CG2-CG 3.91Å; I1645-M1649 HydrophobicContact CG2-SD 3.85Å; I1645-M1649 PolarHBondContact O-N 2.83Å |
| 1646 | H | 61.6 | Low | 58.1 | Low | 153 Ų | 153 | 82.1 Ų | 82.1 | 71% | 0.708 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -73.2 | 5.8 | 177.9 | -157.5 | 69.1 | 0 | 0 | 0 | 114.4 | L1642 K1643 | L1642-H1646 WeakPolarHBondContact O-CB 3.45Å; L1642-H1646 PolarHBondContact O-N 2.86Å; K1643-H1646 CarbonylContact O-C 3.52Å; K1643-H1646 PolarHBondContact O-N 3.11Å |
| 1647 | F | 58.1 | Low | 58.3 | Low | 156 Ų | 156 | 82 Ų | 82 | 68% | 0.684 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -111.9 | -14 | 170.5 | -176.8 | -95.9 | 0 | 0 | 0 | 112.3 | K1643 F1644 I1645 | K1643-F1647 WeakPolarHBondContact O-CB 3.11Å; K1643-F1647 PolarHBondContact O-N 3.13Å; K1643-F1647 VanDerWaalsContact O-N 3.14Å; F1644-F1647 PolarHBondContact O-N 3.13Å; I1645-F1647 PolarHBondContact O-N 2.68Å |
| 1648 | H | 54.5 | Low | 58.5 | Low | 89 Ų | 89 | 87.3 Ų | 87.3 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -116 | -4.5 | 179 | -75.3 | -66.4 | 0 | 0 | 0 | 113.9 | V1611 F1617 F1644 I1645 | V1611-H1648 HydrophobicContact CG1-CB 4.05Å; F1617-H1648 HydrophobicContact CE1-CB 4.47Å; F1617-H1648 HydrophobicContact CZ-CB 4.06Å; F1644-H1648 AromaticContact CE1-CD2 3.93Å; F1644-H1648 AromaticContact CE2-CD2 3.91Å; F1644-H1648 AromaticContact CE2-NE2 3.6Å; F1644-H1648 AromaticContact CZ-CD2 3.79Å; F1644-H1648 AromaticContact CZ-NE2 3.53Å; F1644-H1648 PolarHBondContact O-CD2 2.88Å; F1644-H1648 PolarHBondContact O-N 3.11Å; I1645-H1648 PolarHBondContact O-N 2.77Å |
| 1649 | M | 51.2 | Low | 58.5 | Low | 137 Ų | 137 | 90.5 Ų | 90.5 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | trans | -83.3 | 0 | 158.8 | -75.8 | -176.3 | 168.1 | 0 | 0 | 111 | F1617 I1645 | F1617-M1649 HydrophobicContact CB-CE 3.51Å; F1617-M1649 HydrophobicContact CB-CG 4.24Å; F1617-M1649 HydrophobicContact CD2-CG 4.41Å; F1617-M1649 HydrophobicContact CG-CE 4.4Å; F1617-M1649 HydrophobicContact CG-CG 4.21Å; I1645-M1649 HydrophobicContact CG2-CE 3.7Å; I1645-M1649 HydrophobicContact CG2-CG 3.91Å; I1645-M1649 HydrophobicContact CG2-SD 3.85Å; I1645-M1649 PolarHBondContact O-N 2.83Å |
Retrieved 1,649 of 1,649 residues in 1880.2 ms
(Link to these results)