| 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 | 46 | Very low | 66.3 | Low | 239 Ų | 239 | 140.8 Ų | 140.8 | 100% | 1.177 | 67% | 0.673 | S | S | * | * | 0 | 109.6 | 0 | -78.6 | 161.4 | 84.2 | 0 | 0 | 108.8 | L3 | M1-L3 PolarHBondContact O-N 3.07Š| |||
| 2 | R | 50.5 | Low | 67.5 | Low | 250 Ų | 250 | 138.9 Ų | 138.9 | 94% | 0.943 | 67% | 0.669 | S | S | * | * | trans | -83 | 108.3 | 175.3 | -76.1 | -177.8 | 175.7 | 177.8 | -1.3 | 108.3 | K4 | R2-K4 PolarHBondContact O-N 3.35Š| ||
| 3 | L | 51.3 | Low | 68.6 | Low | 124 Ų | 124 | 137.4 Ų | 137.4 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | trans | -63.2 | 120.7 | 173.2 | -123.7 | 84.1 | 0 | 0 | 0 | 108.4 | M1 I5 I8 | M1-L3 PolarHBondContact O-N 3.07Å; L3-I5 PolarHBondContact O-N 2.95Å; L3-I8 HydrophobicContact CD2-CD1 4.18Å; L3-I8 HydrophobicContact CD2-CG1 4.15Å | ||
| 4 | K | 66.6 | Low | 69.4 | Low | 178 Ų | 178 | 134.9 Ų | 134.9 | 77% | 0.774 | 66% | 0.662 | S | S | * | * | trans | -66.5 | 121.8 | 178.1 | -72 | -175.9 | 176.2 | -179.8 | 0 | 108.6 | R2 G6 F7 | R2-K4 PolarHBondContact O-N 3.35Å; K4-G6 PolarHBondContact O-N 3.05Å; K4-F7 WeakPolarHBondContact O-CB 3.16Å; K4-F7 PolarHBondContact O-N 3.03Å | ||
| 5 | I | 69.7 | Low | 70.4 | Confident | 132 Ų | 132 | 131.5 Ų | 131.5 | 68% | 0.677 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -47.6 | -32.4 | 178.8 | -70.6 | 163.9 | 0 | 0 | 0 | 112.4 | L3 F7 I8 L9 | L3-I5 PolarHBondContact O-N 2.95Å; I5-F7 VanDerWaalsContact C-N 3.27Å; I5-F7 PolarHBondContact O-N 3.02Å; I5-I8 PolarHBondContact O-N 2.72Å; I5-L9 HydrophobicContact CG2-CD1 3.72Å; I5-L9 PolarHBondContact O-N 3.16Å; I5-L9 VanDerWaalsContact O-N 3.14Å |
| 6 | G | 71.5 | Confident | 71.3 | Confident | 44 Ų | 44 | 125.9 Ų | 125.9 | 45% | 0.454 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.7 | -25.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K4 R10 | K4-G6 PolarHBondContact O-N 3.05Å; G6-R10 WeakPolarHBondContact O-CG 3.47Å; G6-R10 PolarHBondContact O-N 3.25Å |
| 7 | F | 75.4 | Confident | 71.8 | Confident | 143 Ų | 143 | 122.5 Ų | 122.5 | 63% | 0.627 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75.1 | -39.7 | 176.4 | -156.8 | -92.3 | 0 | 0 | 0 | 111.2 | K4 I5 R10 S11 | K4-F7 WeakPolarHBondContact O-CB 3.16Å; K4-F7 PolarHBondContact O-N 3.03Å; I5-F7 VanDerWaalsContact C-N 3.27Å; I5-F7 PolarHBondContact O-N 3.02Å; F7-R10 PolarHBondContact O-N 3.42Å; F7-S11 PolarHBondContact O-N 3.01Å; F7-S11 PolarHBondContact O-OG 3.31Å; F7-S11 VanDerWaalsContact O-OG 3.13Å |
| 8 | I | 75.2 | Confident | 72.4 | Confident | 83 Ų | 83 | 123.7 Ų | 123.7 | 43% | 0.426 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | 176.9 | -62.2 | 174.2 | 0 | 0 | 0 | 110.3 | L3 I5 R10 S11 L12 | L3-I8 HydrophobicContact CD2-CD1 4.18Å; L3-I8 HydrophobicContact CD2-CG1 4.15Å; I5-I8 PolarHBondContact O-N 2.72Å; I8-R10 PolarHBondContact O-N 3.45Å; I8-S11 PolarHBondContact O-N 3.02Å; I8-L12 HydrophobicContact CG2-CD1 3.91Å; I8-L12 HydrophobicContact CG2-CG 4.48Å; I8-L12 WeakPolarHBondContact O-CB 3.42Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.43Å |
| 9 | L | 71.8 | Confident | 72.8 | Confident | 105 Ų | 105 | 122.5 Ų | 122.5 | 55% | 0.55 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.2 | -39.5 | 177.2 | -101.3 | 121.1 | 0 | 0 | 0 | 112.9 | I5 L13 | I5-L9 HydrophobicContact CG2-CD1 3.72Å; I5-L9 PolarHBondContact O-N 3.16Å; I5-L9 VanDerWaalsContact O-N 3.14Å; L9-L13 PolarHBondContact O-N 2.98Å; L9-L13 VanDerWaalsContact O-N 3.08Å |
| 10 | R | 75.7 | Confident | 73.3 | Confident | 195 Ų | 195 | 118.4 Ų | 118.4 | 74% | 0.736 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69 | -40.9 | 176.7 | -74.8 | -179.8 | -178.5 | -157.7 | 0.1 | 112 | G6 F7 I8 L13 V14 | G6-R10 WeakPolarHBondContact O-CG 3.47Å; G6-R10 PolarHBondContact O-N 3.25Å; F7-R10 PolarHBondContact O-N 3.42Å; I8-R10 PolarHBondContact O-N 3.45Å; R10-L13 PolarHBondContact O-N 3.47Å; R10-V14 WeakPolarHBondContact O-CG2 3.34Å; R10-V14 PolarHBondContact O-N 2.92Å; R10-V14 VanDerWaalsContact O-N 3.07Å |
| 11 | S | 75.8 | Confident | 73.4 | Confident | 56 Ų | 56 | 118.4 Ų | 118.4 | 39% | 0.392 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.2 | -40.3 | 176 | -63.8 | 0 | 0 | 0 | 0 | 112.2 | F7 I8 V14 V15 | F7-S11 PolarHBondContact O-N 3.01Å; F7-S11 PolarHBondContact O-OG 3.31Å; F7-S11 VanDerWaalsContact O-OG 3.13Å; I8-S11 PolarHBondContact O-N 3.02Å; S11-V14 PolarHBondContact O-N 3.45Å; S11-V15 VanDerWaalsContact O-CG2 3.31Å; S11-V15 WeakPolarHBondContact O-CG2 3.23Å; S11-V15 PolarHBondContact O-N 3.09Å |
| 12 | L | 80.7 | Confident | 74.8 | Confident | 118 Ų | 118 | 110.3 Ų | 110.3 | 62% | 0.618 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.4 | -37.5 | 175.8 | -75.7 | 168.4 | 0 | 0 | 0 | 112.3 | I8 V15 G16 | I8-L12 HydrophobicContact CG2-CD1 3.91Å; I8-L12 HydrophobicContact CG2-CG 4.48Å; I8-L12 WeakPolarHBondContact O-CB 3.42Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.43Å; L12-V15 PolarHBondContact O-N 3.36Å; L12-G16 PolarHBondContact O-N 2.91Å |
| 13 | L | 81.5 | Confident | 75.9 | Confident | 119 Ų | 119 | 102.9 Ų | 102.9 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.1 | -40.2 | 175.5 | -115.5 | 153 | 0 | 0 | 0 | 112.6 | L9 R10 S17 | L9-L13 PolarHBondContact O-N 2.98Å; L9-L13 VanDerWaalsContact O-N 3.08Å; R10-L13 PolarHBondContact O-N 3.47Å; L13-S17 WeakPolarHBondContact O-CB 3.41Å; L13-S17 PolarHBondContact O-N 3.29Å; L13-S17 PolarHBondContact O-OG 3.05Å |
| 14 | V | 79.8 | Confident | 76.7 | Confident | 102 Ų | 102 | 102.1 Ų | 102.1 | 62% | 0.618 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.7 | -44.2 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | R10 S11 S17 F18 | R10-V14 WeakPolarHBondContact O-CG2 3.34Å; R10-V14 PolarHBondContact O-N 2.92Å; R10-V14 VanDerWaalsContact O-N 3.07Å; S11-V14 PolarHBondContact O-N 3.45Å; V14-S17 PolarHBondContact O-N 3Å; V14-F18 WeakPolarHBondContact O-CB 3.46Å; V14-F18 PolarHBondContact O-N 3.45Å |
| 15 | V | 84.3 | Confident | 76.3 | Confident | 84 Ų | 84 | 103.5 Ų | 103.5 | 51% | 0.509 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.8 | -42.2 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | S11 L12 F18 L19 | S11-V15 VanDerWaalsContact O-CG2 3.31Å; S11-V15 WeakPolarHBondContact O-CG2 3.23Å; S11-V15 PolarHBondContact O-N 3.09Å; L12-V15 PolarHBondContact O-N 3.36Å; V15-F18 PolarHBondContact O-N 3.49Å; V15-L19 HydrophobicContact CG1-CD1 3.86Å; V15-L19 WeakPolarHBondContact O-CB 3.47Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 2.75Å |
| 16 | G | 84.6 | Confident | 76.1 | Confident | 43 Ų | 43 | 101 Ų | 101 | 44% | 0.443 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L12 G20 | L12-G16 PolarHBondContact O-N 2.91Å; G16-G20 PolarHBondContact O-N 3.06Å |
| 17 | S | 80.3 | Confident | 75.6 | Confident | 67 Ų | 67 | 103 Ų | 103 | 47% | 0.469 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.7 | -39.9 | 176.2 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | L13 V14 G20 L21 | L13-S17 WeakPolarHBondContact O-CB 3.41Å; L13-S17 PolarHBondContact O-N 3.29Å; L13-S17 PolarHBondContact O-OG 3.05Å; V14-S17 PolarHBondContact O-N 3Å; S17-G20 PolarHBondContact O-N 3.35Å; S17-L21 PolarHBondContact O-N 3.43Å |
| 18 | F | 82.3 | Confident | 74.6 | Confident | 144 Ų | 144 | 102.3 Ų | 102.3 | 63% | 0.632 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.5 | -44.6 | 177.5 | -170.8 | -98.1 | 0 | 0 | 0 | 111.6 | V14 V15 G20 L21 V22 | V14-F18 WeakPolarHBondContact O-CB 3.46Å; V14-F18 PolarHBondContact O-N 3.45Å; V15-F18 PolarHBondContact O-N 3.49Å; F18-G20 VanDerWaalsContact C-N 3.34Å; F18-G20 PolarHBondContact O-N 3.44Å; F18-L21 PolarHBondContact O-N 2.98Å; F18-V22 HydrophobicContact CD1-CG2 4.24Å; F18-V22 HydrophobicContact CE1-CG2 3.99Å; F18-V22 HydrophobicContact CZ-CG2 4.41Å; F18-V22 WeakPolarHBondContact O-CG2 3.42Å; F18-V22 PolarHBondContact O-N 2.93Å |
| 19 | L | 81 | Confident | 73.6 | Confident | 102 Ų | 102 | 102.5 Ų | 102.5 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.7 | -39 | 175.1 | -76.4 | 165.8 | 0 | 0 | 0 | 112 | V15 L21 V22 V23 | V15-L19 HydrophobicContact CG1-CD1 3.86Å; V15-L19 WeakPolarHBondContact O-CB 3.47Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 2.75Å; L19-L21 PolarHBondContact O-N 2.9Å; L19-V22 PolarHBondContact O-N 3.36Å; L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 2.94Å |
| 20 | G | 82.4 | Confident | 72.3 | Confident | 39 Ų | 39 | 103.3 Ų | 103.3 | 40% | 0.402 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.1 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G16 S17 F18 V23 L24 | G16-G20 PolarHBondContact O-N 3.06Å; S17-G20 PolarHBondContact O-N 3.35Å; F18-G20 VanDerWaalsContact C-N 3.34Å; F18-G20 PolarHBondContact O-N 3.44Å; G20-V23 PolarHBondContact O-N 3.19Å; G20-L24 WeakPolarHBondContact O-CB 3.47Å; G20-L24 PolarHBondContact O-N 3.36Å |
| 21 | L | 74.4 | Confident | 71.1 | Confident | 119 Ų | 119 | 104.1 Ų | 104.1 | 62% | 0.623 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.4 | -38 | 175.7 | -81 | 160.8 | 0 | 0 | 0 | 112.6 | S17 F18 L19 L24 W25 | S17-L21 PolarHBondContact O-N 3.43Å; F18-L21 PolarHBondContact O-N 2.98Å; L19-L21 PolarHBondContact O-N 2.9Å; L21-L24 PolarHBondContact O-N 3.42Å; L21-W25 VanDerWaalsContact O-CB 3.3Å; L21-W25 WeakPolarHBondContact O-CB 3.46Å; L21-W25 PolarHBondContact O-N 2.99Å |
| 22 | V | 76 | Confident | 69.4 | Low | 70 Ų | 70 | 107.6 Ų | 107.6 | 42% | 0.424 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.1 | -38.1 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | F18 L19 W25 S26 | F18-V22 HydrophobicContact CD1-CG2 4.24Å; F18-V22 HydrophobicContact CE1-CG2 3.99Å; F18-V22 HydrophobicContact CZ-CG2 4.41Å; F18-V22 WeakPolarHBondContact O-CG2 3.42Å; F18-V22 PolarHBondContact O-N 2.93Å; L19-V22 PolarHBondContact O-N 3.36Å; V22-W25 PolarHBondContact O-N 3Å; V22-S26 WeakPolarHBondContact O-CB 3.41Å; V22-S26 PolarHBondContact O-N 3.11Å; V22-S26 PolarHBondContact O-OG 2.79Å |
| 23 | V | 74.6 | Confident | 67.7 | Low | 94 Ų | 94 | 109 Ų | 109 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.1 | -39.2 | 174.4 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | L19 G20 W25 S26 S27 | L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 2.94Å; G20-V23 PolarHBondContact O-N 3.19Å; V23-W25 VanDerWaalsContact C-N 3.34Å; V23-W25 PolarHBondContact O-N 2.78Å; V23-S26 WeakPolarHBondContact CA-OG 3.28Å; V23-S26 PolarHBondContact O-OG 3.5Å; V23-S26 VanDerWaalsContact O-OG 3.11Å; V23-S27 WeakPolarHBondContact O-CB 3.44Å; V23-S27 PolarHBondContact O-N 2.88Å; V23-S27 VanDerWaalsContact O-N 3.11Å; V23-S27 PolarHBondContact O-OG 3.37Å |
| 24 | L | 67.1 | Low | 65.6 | Low | 107 Ų | 107 | 110.2 Ų | 110.2 | 56% | 0.56 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.5 | -39.6 | 174.2 | -130.6 | 95.2 | 0 | 0 | 0 | 111.6 | G20 L21 S27 L28 | G20-L24 WeakPolarHBondContact O-CB 3.47Å; G20-L24 PolarHBondContact O-N 3.36Å; L21-L24 PolarHBondContact O-N 3.42Å; L24-S27 WeakPolarHBondContact CA-OG 3.3Å; L24-S27 PolarHBondContact O-N 3.44Å; L24-S27 PolarHBondContact O-OG 3.11Å; L24-L28 HydrophobicContact CD2-CD1 4.18Å; L24-L28 HydrophobicContact CG-CD1 4.44Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 WeakPolarHBondContact O-CD1 3.35Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.94Å |
| 25 | W | 58.8 | Low | 63.7 | Low | 207 Ų | 207 | 110.5 Ų | 110.5 | 78% | 0.784 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.2 | -32.1 | -177.2 | -153.9 | 33.8 | 0 | 0 | 0 | 112.8 | L21 V22 V23 T29 | L21-W25 VanDerWaalsContact O-CB 3.3Å; L21-W25 WeakPolarHBondContact O-CB 3.46Å; L21-W25 PolarHBondContact O-N 2.99Å; V22-W25 PolarHBondContact O-N 3Å; V23-W25 VanDerWaalsContact C-N 3.34Å; V23-W25 PolarHBondContact O-N 2.78Å; W25-T29 PolarHBondContact O-N 3.42Å; W25-T29 PolarHBondContact O-OG1 2.98Å |
| 26 | S | 65.3 | Low | 61.4 | Low | 79 Ų | 79 | 110.1 Ų | 110.1 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76.3 | -19.9 | 173.1 | 52.2 | 0 | 0 | 0 | 0 | 114 | V22 V23 T29 | V22-S26 WeakPolarHBondContact O-CB 3.41Å; V22-S26 PolarHBondContact O-N 3.11Å; V22-S26 PolarHBondContact O-OG 2.79Å; V23-S26 WeakPolarHBondContact CA-OG 3.28Å; V23-S26 PolarHBondContact O-OG 3.5Å; V23-S26 VanDerWaalsContact O-OG 3.11Å; S26-T29 WeakPolarHBondContact CA-OG1 3.47Å; S26-T29 PolarHBondContact O-OG1 2.98Å |
| 27 | S | 61.4 | Low | 58.9 | Low | 87 Ų | 87 | 114 Ų | 114 | 61% | 0.608 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -89.1 | -15.2 | 173.2 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | V23 L24 | V23-S27 WeakPolarHBondContact O-CB 3.44Å; V23-S27 PolarHBondContact O-N 2.88Å; V23-S27 VanDerWaalsContact O-N 3.11Å; V23-S27 PolarHBondContact O-OG 3.37Å; L24-S27 WeakPolarHBondContact CA-OG 3.3Å; L24-S27 PolarHBondContact O-N 3.44Å; L24-S27 PolarHBondContact O-OG 3.11Å |
| 28 | L | 54.3 | Low | 56.8 | Low | 128 Ų | 128 | 118.6 Ų | 118.6 | 67% | 0.67 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -105.5 | 2.5 | 179.3 | -67.9 | 169.7 | 0 | 0 | 0 | 113.7 | L24 | L24-L28 HydrophobicContact CD2-CD1 4.18Å; L24-L28 HydrophobicContact CG-CD1 4.44Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 WeakPolarHBondContact O-CD1 3.35Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.94Å |
| 29 | T | 52.8 | Low | 54.5 | Low | 87 Ų | 87 | 116.1 Ų | 116.1 | 53% | 0.534 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -86.1 | 124.2 | 175.2 | 6.3 | 0 | 0 | 0 | 0 | 110.3 | W25 S26 | W25-T29 PolarHBondContact O-N 3.42Å; W25-T29 PolarHBondContact O-OG1 2.98Å; S26-T29 WeakPolarHBondContact CA-OG1 3.47Å; S26-T29 PolarHBondContact O-OG1 2.98Å |
| 30 | P | 45.4 | Very low | 52.1 | Low | 123 Ų | 123 | 122.4 Ų | 122.4 | 80% | 0.799 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -68 | 137.7 | -179.6 | -13.8 | 27.5 | 0 | 0 | 0 | 111.3 | ||
| 31 | R | 51.5 | Low | 49.6 | Very low | 212 Ų | 212 | 129.4 Ų | 129.4 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 153 | 169.2 | -71.6 | -178.9 | 180 | 175.3 | 0.4 | 110 | D33 | R31-D33 PolarHBondContact O-N 3.13Š|
| 32 | P | 39.8 | Very low | 47.5 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -10.2 | -166.8 | -18.5 | 31.9 | 0 | 0 | 0 | 115.7 | ||
| 33 | D | 43.9 | Very low | 45.3 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | 22.9 | -167.5 | -65.5 | -44 | 0 | 0 | 0 | 114.8 | R31 | R31-D33 PolarHBondContact O-N 3.13Š|
| 34 | D | 38.3 | Very low | 43.1 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 125 | 171.9 | -102.5 | -30.1 | 0 | 0 | 0 | 112.5 | ||
| 35 | P | 38.4 | Very low | 41.3 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 142.1 | -177.3 | 27.5 | -32 | 0 | 0 | 0 | 113 | ||
| 36 | S | 36.5 | Very low | 39.8 | Very low | 76 Ų | 76 | 148.3 Ų | 148.3 | 53% | 0.531 | 77% | 0.769 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 151.6 | -171.6 | 82.9 | 0 | 0 | 0 | 0 | 114.1 | L38 S39 | S36-L38 PolarHBondContact O-N 3.44Å; S36-S39 PolarHBondContact O-OG 3.12Å; S36-S39 VanDerWaalsContact O-OG 3.05Å |
| 37 | P | 33.3 | Very low | 38.2 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -75.7 | 7.4 | -171.5 | -9.7 | 27 | 0 | 0 | 0 | 115.1 | ||
| 38 | L | 34.9 | Very low | 36.8 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -92 | 3.8 | 178.9 | -90.3 | 136.1 | 0 | 0 | 0 | 113.5 | S36 | S36-L38 PolarHBondContact O-N 3.44Š|
| 39 | S | 33.9 | Very low | 35.6 | Very low | 91 Ų | 91 | 154.6 Ų | 154.6 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -92.6 | -2.3 | 177.5 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | S36 | S36-S39 PolarHBondContact O-OG 3.12Å; S36-S39 VanDerWaalsContact O-OG 3.05Å |
| 40 | R | 30.3 | Very low | 35.1 | Very low | 234 Ų | 234 | 155.8 Ų | 155.8 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -104.3 | 16.8 | -174.3 | -110 | -176.7 | -175.6 | 179.5 | 2.5 | 116.4 | ||
| 41 | M | 31.5 | Very low | 34.3 | Very low | 187 Ų | 187 | 157.2 Ų | 157.2 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -126.5 | 51.9 | 171.5 | -92.7 | -172.2 | 145.8 | 0 | 0 | 111 | ||
| 42 | R | 30.1 | Very low | 34 | Very low | 242 Ų | 242 | 152.6 Ų | 152.6 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -161.3 | 38.2 | 165.5 | -129.6 | 178.1 | -174.7 | -175.5 | 0.8 | 114.5 | ||
| 43 | E | 29.6 | Very low | 33.4 | Very low | 192 Ų | 192 | 153 Ų | 153 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -138.9 | 84.3 | 164.6 | -85.3 | -175.6 | 162 | 0 | 0 | 107.6 | ||||
| 44 | D | 28.4 | Very low | 32.7 | Very low | 161 Ų | 161 | 157.8 Ų | 157.8 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -151.4 | 127.8 | 148.9 | -126.6 | -15.8 | 0 | 0 | 0 | 107.9 | ||||
| 45 | R | 28.5 | Very low | 32.2 | Very low | 229 Ų | 229 | 154.8 Ų | 154.8 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | 89.4 | 82.9 | -176.9 | -51.5 | 176.8 | -170.4 | -167.5 | 1.5 | 115.6 | ||||
| 46 | D | 28.7 | Very low | 31.6 | Very low | 170 Ų | 170 | 153.1 Ų | 153.1 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | -149.9 | 129.8 | 116.6 | -93 | -31.6 | 0 | 0 | 0 | 110.3 | |||||
| 47 | V | 31.7 | Very low | 31.3 | Very low | 123 Ų | 123 | 157.8 Ų | 157.8 | 75% | 0.745 | 83% | 0.825 | S | S | * | * | trans | -121.8 | 116 | 176.4 | 168.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 48 | N | 30.8 | Very low | 31.1 | Very low | 155 Ų | 155 | 155.3 Ų | 155.3 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | 127.3 | 104.1 | 149.2 | -69.1 | -28.2 | 0 | 0 | 0 | 116.4 | ||||
| 49 | D | 28.9 | Very low | 30.9 | Very low | 148 Ų | 148 | 155.8 Ų | 155.8 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -45.9 | 173.4 | 149.2 | -127.2 | 1.9 | 0 | 0 | 0 | 113.3 | ||||
| 50 | P | 42.5 | Very low | 30.6 | Very low | 112 Ų | 112 | 155.9 Ų | 155.9 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | cis | -139.3 | 163.1 | 7.1 | 32.5 | -8.9 | 0 | 0 | 0 | 118.7 | ||||
| 51 | M | 29.5 | Very low | 31 | Very low | 152 Ų | 152 | 151 Ų | 151 | 75% | 0.749 | 83% | 0.83 | S | S | * | * | trans | -42.7 | 161.4 | 155.9 | -105.8 | -159.1 | 173.6 | 0 | 0 | 115 | ||||
| 52 | P | 43.7 | Very low | 30.8 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | -155.7 | 150.4 | 72.3 | 39.5 | -17.2 | 0 | 0 | 0 | 120.6 | |||||
| 53 | N | 27.5 | Very low | 30.9 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 40.5 | 131.5 | 135 | -82.5 | -21.8 | 0 | 0 | 0 | 124.4 | ||||
| 54 | R | 29.4 | Very low | 30.8 | Very low | 250 Ų | 250 | 141.5 Ų | 141.5 | 94% | 0.943 | 82% | 0.818 | S | S | * | * | trans | 144.3 | 132.8 | 131.5 | -84.1 | 174.4 | 174.9 | -175.1 | -0.4 | 107.7 | ||||
| 55 | G | 27.6 | Very low | 31 | Very low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | cis | 151.8 | 142.8 | 9.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 56 | G | 27.4 | Very low | 31.1 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | 108.7 | 102.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 57 | N | 29.8 | Very low | 31.2 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | 42.8 | 128.2 | 135 | -61.5 | -9.7 | 0 | 0 | 0 | 123 | ||||
| 58 | G | 29 | Very low | 31.3 | Very low | 72 Ų | 72 | 142.8 Ų | 142.8 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 152.4 | 92 | 144.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 59 | L | 29.4 | Very low | 31.3 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | 31.1 | 107.5 | 141.3 | -66.9 | 156.5 | 0 | 0 | 0 | 122.3 | ||||
| 60 | A | 29.5 | Very low | 31.6 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | 55.1 | 168.3 | 132.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 61 | P | 38.3 | Very low | 31.1 | Very low | 132 Ų | 132 | 141 Ų | 141 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | -123.5 | 148.7 | -77 | 35.9 | -20.3 | 0 | 0 | 0 | 112.8 | |||||
| 62 | G | 27.5 | Very low | 31 | Very low | 72 Ų | 72 | 145.1 Ų | 145.1 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 163.9 | 126.6 | 167 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 63 | E | 30.6 | Very low | 30.4 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 58.9 | 87.2 | 152.1 | -60.2 | -172.6 | 165.8 | 0 | 0 | 119.1 | R65 | E63-R65 PolarHBondContact O-N 3.24Å; E63-R65 VanDerWaalsContact O-N 3.07Å | ||
| 64 | D | 29 | Very low | 30.4 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 96% | 0.957 | 82% | 0.824 | S | S | * | * | trans | -76.8 | 92.3 | 160.9 | -87 | -30 | 0 | 0 | 0 | 111 | ||||
| 65 | R | 31.8 | Very low | 30.5 | Very low | 214 Ų | 214 | 142.1 Ų | 142.1 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | -75.6 | 118.3 | 156.3 | -80.6 | -178.8 | 175.4 | -177.8 | -0.8 | 109.5 | E63 K67 | E63-R65 PolarHBondContact O-N 3.24Å; E63-R65 VanDerWaalsContact O-N 3.07Å; R65-K67 PolarHBondContact O-N 2.71Å | ||
| 66 | F | 30.6 | Very low | 31 | Very low | 197 Ų | 197 | 147.6 Ų | 147.6 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -58.4 | 121.5 | 167.8 | -160.6 | -98.3 | 0 | 0 | 0 | 110.6 | ||||
| 67 | K | 31.3 | Very low | 31.2 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -107.4 | 120.5 | 167.6 | -83 | -174.5 | 178.3 | 178.3 | 0 | 109.4 | R65 | R65-K67 PolarHBondContact O-N 2.71Š| ||
| 68 | P | 33.8 | Very low | 31.6 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -77.1 | 146.1 | 170.5 | 29.1 | -30.5 | 0 | 0 | 0 | 112 | ||||
| 69 | V | 30.8 | Very low | 31.9 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 79% | 0.788 | 82% | 0.821 | S | S | * | * | trans | -86.9 | 142.5 | 177.2 | 180 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 70 | V | 35 | Very low | 32.7 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 76.8 | 142.4 | 172.9 | -81.8 | 0 | 0 | 0 | 0 | 121.1 | ||
| 71 | P | 31.5 | Very low | 33.6 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 143.8 | -153.9 | 37.9 | -31.8 | 0 | 0 | 0 | 114.2 | ||
| 72 | W | 28.8 | Very low | 33.9 | Very low | 239 Ų | 239 | 146.9 Ų | 146.9 | 91% | 0.905 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 144.9 | 167 | -70.9 | 90 | 0 | 0 | 0 | 110.7 | ||
| 73 | P | 29.3 | Very low | 35 | Very low | 110 Ų | 110 | 149 Ų | 149 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 140.2 | -176.8 | 25.2 | -31.9 | 0 | 0 | 0 | 112.5 | V75 | P73-V75 PolarHBondContact O-N 2.97Š|
| 74 | H | 28.2 | Very low | 36 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 127.6 | 172.6 | -102.9 | 28.1 | 0 | 0 | 0 | 111.6 | ||
| 75 | V | 32.3 | Very low | 37 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -118.2 | 120.1 | 158 | -178.2 | 0 | 0 | 0 | 0 | 106 | P73 G77 | P73-V75 PolarHBondContact O-N 2.97Å; V75-G77 PolarHBondContact O-N 2.73Å | ||
| 76 | E | 36.7 | Very low | 38 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 91% | 0.911 | 72% | 0.717 | S | S | * | * | trans | -60.5 | 107.2 | 174.8 | -71 | 178.8 | 157.5 | 0 | 0 | 109.4 | ||||
| 77 | G | 31.3 | Very low | 39.2 | Very low | 67 Ų | 67 | 136.3 Ų | 136.3 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | trans | -109.5 | 123.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V75 E79 | V75-G77 PolarHBondContact O-N 2.73Å; G77-E79 PolarHBondContact O-N 3.11Å | ||
| 78 | V | 39.2 | Very low | 40.3 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | trans | -54.4 | 124.7 | 168 | 176.3 | 0 | 0 | 0 | 0 | 109 | V80 | V78-V80 PolarHBondContact O-N 2.89Å; V78-V80 VanDerWaalsContact O-N 3.09Å | ||
| 79 | E | 34.5 | Very low | 41.1 | Very low | 195 Ų | 195 | 134 Ų | 134 | 91% | 0.911 | 69% | 0.693 | S | S | * | * | trans | -59.7 | 112.5 | 172 | -94.1 | -177.1 | 153.1 | 0 | 0 | 109.6 | G77 | G77-E79 PolarHBondContact O-N 3.11Š| ||
| 80 | V | 46.7 | Very low | 42.1 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 58% | 0.576 | 68% | 0.684 | S | S | * | * | trans | -93.2 | 113.7 | 170.6 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | V78 L82 I85 | V78-V80 PolarHBondContact O-N 2.89Å; V78-V80 VanDerWaalsContact O-N 3.09Å; V80-L82 PolarHBondContact O-N 2.93Å; V80-I85 HydrophobicContact CG1-CD1 3.48Å; V80-I85 VanDerWaalsContact CG1-CD1 3.48Å | ||
| 81 | D | 49.5 | Very low | 42.7 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 51% | 0.508 | 67% | 0.667 | S | S | . | * | trans | -66.5 | 93.4 | 173.8 | 177.4 | 1.7 | 0 | 0 | 0 | 110.3 | E83 S84 I85 | D81-E83 PolarHBondContact O-N 3.25Å; D81-E83 WeakPolarHBondContact OD1-CA 3.36Å; D81-E83 WeakPolarHBondContact OD1-CB 3.32Å; D81-E83 PolarHBondContact OD1-N 3.25Å; D81-S84 PolarHBondContact O-N 3.23Å; D81-S84 PolarHBondContact O-OG 3.38Å; D81-S84 PolarHBondContact OD1-N 3.29Å; D81-S84 VanDerWaalsContact OD1-N 3.16Å; D81-S84 WeakPolarHBondContact OD2-CB 3.38Å; D81-I85 PolarHBondContact O-N 3.26Å | ||
| 82 | L | 43.6 | Very low | 43.4 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 61% | 0.613 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -63.8 | -22 | 178.5 | -66.8 | 169.2 | 0 | 0 | 0 | 112.7 | V80 R86 | V80-L82 PolarHBondContact O-N 2.93Å; L82-R86 WeakPolarHBondContact O-CB 3.35Å; L82-R86 WeakPolarHBondContact O-CG 3.49Å; L82-R86 PolarHBondContact O-N 3.31Å |
| 83 | E | 50.4 | Low | 44.1 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 55% | 0.547 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -72 | -38.8 | 177.3 | -133.7 | 82.2 | -139.2 | 0 | 0 | 110.5 | D81 R86 R87 | D81-E83 PolarHBondContact O-N 3.25Å; D81-E83 WeakPolarHBondContact OD1-CA 3.36Å; D81-E83 WeakPolarHBondContact OD1-CB 3.32Å; D81-E83 PolarHBondContact OD1-N 3.25Å; E83-R86 PolarHBondContact O-N 3.39Å; E83-R87 WeakPolarHBondContact O-CG 3.35Å; E83-R87 PolarHBondContact O-N 2.85Å |
| 84 | S | 50.9 | Low | 44.6 | Very low | 56 Ų | 56 | 124.1 Ų | 124.1 | 39% | 0.392 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.2 | -36.5 | 175.4 | 78.6 | 0 | 0 | 0 | 0 | 112.7 | D81 K88 | D81-S84 PolarHBondContact O-N 3.23Å; D81-S84 PolarHBondContact O-OG 3.38Å; D81-S84 PolarHBondContact OD1-N 3.29Å; D81-S84 VanDerWaalsContact OD1-N 3.16Å; D81-S84 WeakPolarHBondContact OD2-CB 3.38Å; S84-K88 PolarHBondContact O-N 3.27Å |
| 85 | I | 51.2 | Low | 45.2 | Very low | 70 Ų | 70 | 122.5 Ų | 122.5 | 36% | 0.359 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.8 | -40.9 | 176.7 | -64 | 175.6 | 0 | 0 | 0 | 110.4 | V80 D81 R87 K88 N89 | V80-I85 HydrophobicContact CG1-CD1 3.48Å; V80-I85 VanDerWaalsContact CG1-CD1 3.48Å; D81-I85 PolarHBondContact O-N 3.26Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.25Å; I85-K88 PolarHBondContact O-N 2.88Å; I85-N89 WeakPolarHBondContact O-CB 3.43Å; I85-N89 PolarHBondContact O-N 3.34Å |
| 86 | R | 51.6 | Low | 45.7 | Very low | 173 Ų | 173 | 122.1 Ų | 122.1 | 65% | 0.653 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.3 | -39.9 | 174.2 | -82.3 | 178.3 | 175.4 | 166.4 | -0 | 112.3 | L82 E83 N89 K90 | L82-R86 WeakPolarHBondContact O-CB 3.35Å; L82-R86 WeakPolarHBondContact O-CG 3.49Å; L82-R86 PolarHBondContact O-N 3.31Å; E83-R86 PolarHBondContact O-N 3.39Å; R86-N89 PolarHBondContact O-N 3.39Å; R86-K90 WeakPolarHBondContact O-CB 3.02Å; R86-K90 PolarHBondContact O-N 3.18Å |
| 87 | R | 56 | Low | 45.9 | Very low | 194 Ų | 194 | 120.6 Ų | 120.6 | 73% | 0.732 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.2 | -39.3 | 175.3 | -73.4 | -178.6 | -178.5 | -173.4 | 1.8 | 112.4 | E83 I85 K90 A91 | E83-R87 WeakPolarHBondContact O-CG 3.35Å; E83-R87 PolarHBondContact O-N 2.85Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.25Å; R87-K90 PolarHBondContact O-N 2.63Å; R87-A91 WeakPolarHBondContact O-CB 3.49Å; R87-A91 PolarHBondContact O-N 3.21Å |
| 88 | K | 55.3 | Low | 46.2 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.2 | -42.8 | 172.6 | -99.7 | -178.8 | 174.8 | 175.9 | 0 | 112.4 | S84 I85 K92 | S84-K88 PolarHBondContact O-N 3.27Å; I85-K88 PolarHBondContact O-N 2.88Å; K88-K92 WeakPolarHBondContact O-CB 3.46Å; K88-K92 PolarHBondContact O-N 3.29Å |
| 89 | N | 50.3 | Low | 46.1 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 47% | 0.471 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.5 | -32.7 | 179.3 | -70.6 | -15.8 | 0 | 0 | 0 | 112.4 | I85 R86 K92 N93 | I85-N89 WeakPolarHBondContact O-CB 3.43Å; I85-N89 PolarHBondContact O-N 3.34Å; R86-N89 PolarHBondContact O-N 3.39Å; N89-K92 PolarHBondContact O-N 3.29Å; N89-N93 WeakPolarHBondContact O-CB 3.34Å; N89-N93 PolarHBondContact O-N 3.03Å |
| 90 | K | 51.2 | Low | 46.5 | Very low | 135 Ų | 135 | 118.5 Ų | 118.5 | 59% | 0.587 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.6 | -42.7 | 173.6 | -165.7 | 176.7 | 179.5 | -175.8 | 0 | 112 | R86 R87 K92 N93 E94 | R86-K90 WeakPolarHBondContact O-CB 3.02Å; R86-K90 PolarHBondContact O-N 3.18Å; R87-K90 PolarHBondContact O-N 2.63Å; K90-K92 VanDerWaalsContact C-N 3.3Å; K90-K92 PolarHBondContact O-N 3.01Å; K90-N93 PolarHBondContact O-N 3.49Å; K90-E94 VanDerWaalsContact CE-OE1 3.23Å; K90-E94 WeakPolarHBondContact CE-OE1 3.44Å; K90-E94 WeakPolarHBondContact O-CB 3.31Å; K90-E94 WeakPolarHBondContact O-CG 3.4Å; K90-E94 PolarHBondContact O-N 2.93Å |
| 91 | A | 48.1 | Very low | 45.8 | Very low | 50 Ų | 50 | 117 Ų | 117 | 41% | 0.413 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.6 | -32.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | R87 Q95 | R87-A91 WeakPolarHBondContact O-CB 3.49Å; R87-A91 PolarHBondContact O-N 3.21Å; A91-Q95 PolarHBondContact O-N 3.41Å |
| 92 | K | 45.5 | Very low | 45.7 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 54% | 0.535 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.3 | -41.6 | 174.8 | -154.8 | -178.5 | -178.6 | -167 | 0 | 112.1 | K88 N89 K90 Q95 E96 | K88-K92 WeakPolarHBondContact O-CB 3.46Å; K88-K92 PolarHBondContact O-N 3.29Å; N89-K92 PolarHBondContact O-N 3.29Å; K90-K92 VanDerWaalsContact C-N 3.3Å; K90-K92 PolarHBondContact O-N 3.01Å; K92-Q95 PolarHBondContact O-N 3.47Å; K92-E96 PolarHBondContact O-N 2.94Å |
| 93 | N | 43.9 | Very low | 45.5 | Very low | 93 Ų | 93 | 118.9 Ų | 118.9 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.3 | -32.4 | 174.9 | -77.8 | 4.4 | 0 | 0 | 0 | 112.8 | N89 K90 H97 | N89-N93 WeakPolarHBondContact O-CB 3.34Å; N89-N93 PolarHBondContact O-N 3.03Å; K90-N93 PolarHBondContact O-N 3.49Å; N93-H97 WeakPolarHBondContact O-CB 3.5Å; N93-H97 PolarHBondContact O-CD2 3.26Å; N93-H97 PolarHBondContact O-N 2.88Å; N93-H97 VanDerWaalsContact O-N 3.13Å |
| 94 | E | 41.1 | Very low | 44.9 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 55% | 0.547 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -75.6 | -25.9 | 175.2 | -74.3 | 171.7 | -175.1 | 0 | 0 | 112.4 | K90 | K90-E94 VanDerWaalsContact CE-OE1 3.23Å; K90-E94 WeakPolarHBondContact CE-OE1 3.44Å; K90-E94 WeakPolarHBondContact O-CB 3.31Å; K90-E94 WeakPolarHBondContact O-CG 3.4Å; K90-E94 PolarHBondContact O-N 2.93Å |
| 95 | Q | 39.6 | Very low | 44.2 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -78.6 | -30.7 | 169.2 | -83.2 | -178.4 | -25.8 | 0 | 0 | 113.4 | A91 K92 | A91-Q95 PolarHBondContact O-N 3.41Å; K92-Q95 PolarHBondContact O-N 3.47Å |
| 96 | E | 44 | Very low | 43.6 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 60% | 0.598 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -75 | -24.2 | 174 | -76.9 | 174.4 | -173.3 | 0 | 0 | 112.6 | K92 | K92-E96 PolarHBondContact O-N 2.94Å |
| 97 | H | 40.3 | Very low | 43.2 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -6.5 | 178.2 | -94.9 | -59.5 | 0 | 0 | 0 | 116 | N93 | N93-H97 WeakPolarHBondContact O-CB 3.5Å; N93-H97 PolarHBondContact O-CD2 3.26Å; N93-H97 PolarHBondContact O-N 2.88Å; N93-H97 VanDerWaalsContact O-N 3.13Å |
| 98 | H | 37.4 | Very low | 42.6 | Very low | 183 Ų | 183 | 128.5 Ų | 128.5 | 85% | 0.847 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 9.4 | 176.9 | -90.7 | -34.4 | 0 | 0 | 0 | 115.4 | ||
| 99 | A | 36.7 | Very low | 42.1 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | trans | -104 | 48.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G101 | A99-G101 PolarHBondContact O-N 3.03Š| ||
| 100 | G | 42.2 | Very low | 42.3 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | -82.8 | 86.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 101 | G | 32 | Very low | 43.1 | Very low | 63 Ų | 63 | 138.1 Ų | 138.1 | 65% | 0.649 | 72% | 0.72 | S | S | * | * | trans | -130.3 | 109.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | A99 S103 | A99-G101 PolarHBondContact O-N 3.03Å; G101-S103 PolarHBondContact O-N 3.35Å | ||
| 102 | D | 48.3 | Very low | 44.7 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 98% | 0.979 | 72% | 0.722 | S | S | * | * | trans | -48.1 | 109.3 | 172.6 | -95.8 | -35.5 | 0 | 0 | 0 | 110.3 | ||||
| 103 | S | 38.4 | Very low | 46.9 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 49% | 0.49 | 72% | 0.721 | S | S | . | * | trans | -122.1 | 111.6 | 164.4 | 124.3 | 0 | 0 | 0 | 0 | 107.2 | G101 K105 | G101-S103 PolarHBondContact O-N 3.35Å; S103-K105 PolarHBondContact O-N 2.71Å | ||
| 104 | Q | 39.4 | Very low | 49.3 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 9.7 | 175.8 | -122.3 | 170.6 | -5.6 | 0 | 0 | 114.4 | ||
| 105 | K | 36.1 | Very low | 52 | Low | 168 Ų | 168 | 137.5 Ų | 137.5 | 73% | 0.73 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -19.3 | -173.9 | -75.4 | -175.9 | 174.3 | -179.7 | 0 | 114.9 | S103 I107 M108 | S103-K105 PolarHBondContact O-N 2.71Å; K105-I107 PolarHBondContact O-N 3.41Å; K105-M108 PolarHBondContact O-N 2.85Å |
| 106 | D | 38.6 | Very low | 54.7 | Low | 157 Ų | 157 | 135.1 Ų | 135.1 | 84% | 0.84 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 0.2 | 176.1 | -80.5 | -27.2 | 0 | 0 | 0 | 113.9 | ||
| 107 | I | 41.7 | Very low | 57.3 | Low | 148 Ų | 148 | 133.8 Ų | 133.8 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -10.6 | 172.4 | -61.6 | 174.7 | 0 | 0 | 0 | 111.3 | K105 Q109 | K105-I107 PolarHBondContact O-N 3.41Å; I107-Q109 PolarHBondContact O-N 3.36Å |
| 108 | M | 43.5 | Very low | 60 | Low | 154 Ų | 154 | 129.4 Ų | 129.4 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -100.8 | 88.1 | -178.9 | -78.1 | 178.4 | 56.2 | 0 | 0 | 112.1 | K105 | K105-M108 PolarHBondContact O-N 2.85Š|
| 109 | Q | 45.8 | Very low | 62.9 | Low | 187 Ų | 187 | 126.9 Ų | 126.9 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | trans | 132.8 | 56.5 | 158 | -74.3 | -179.8 | -19.1 | 0 | 0 | 113.6 | I107 Q111 | I107-Q109 PolarHBondContact O-N 3.36Å; Q109-Q111 VanDerWaalsContact C-N 3.31Å; Q109-Q111 PolarHBondContact O-N 3.08Å; Q109-Q111 VanDerWaalsContact O-N 3.12Å | ||
| 110 | R | 54.6 | Low | 65.8 | Low | 213 Ų | 213 | 125.2 Ų | 125.2 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | trans | -69.3 | 101.4 | 143 | -87.4 | -175.4 | 178.4 | -175.8 | -0.8 | 106.5 | Y112 | R110-Y112 WeakPolarHBondContact O-CD2 3.35Å; R110-Y112 PolarHBondContact O-N 3.22Å | ||
| 111 | Q | 68.4 | Low | 68.4 | Low | 189 Ų | 189 | 126.8 Ų | 126.8 | 88% | 0.883 | 65% | 0.651 | S | S | * | * | trans | -69.7 | 99.2 | 170.5 | -174 | 174.3 | -7.5 | 0 | 0 | 107.3 | Q109 | Q109-Q111 VanDerWaalsContact C-N 3.31Å; Q109-Q111 PolarHBondContact O-N 3.08Å; Q109-Q111 VanDerWaalsContact O-N 3.12Å | ||
| 112 | Y | 80.1 | Confident | 71.6 | Confident | 119 Ų | 119 | 124.5 Ų | 124.5 | 47% | 0.467 | 62% | 0.623 | S | S | . | * | trans | -59.5 | 146 | 176.3 | -62.3 | -76.7 | 0 | 0 | 0 | 110.8 | R110 N506 | R110-Y112 WeakPolarHBondContact O-CD2 3.35Å; R110-Y112 PolarHBondContact O-N 3.22Å; Y112-N506 HydrophobicContact CD1-CB 3.57Å; Y112-N506 HydrophobicContact CE1-CB 3.88Å; Y112-N506 WeakPolarHBondContact CE1-OD1 3.29Å; Y112-N506 HydrophobicContact CG-CB 3.94Å | ||
| 113 | L | 91.6 | Very high | 73.9 | Confident | 96 Ų | 96 | 125 Ų | 125 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | trans | -67.3 | 134.5 | 172.8 | -71 | 176.3 | 0 | 0 | 0 | 109.2 | D504 | L113-D504 HydrophobicContact CD1-CB 3.83Å; L113-D504 HydrophobicContact CG-CB 4.33Å; L113-D504 PolarHBondContact N-O 3.38Å | ||
| 114 | T | 94.6 | Very high | 76.7 | Confident | 120 Ų | 120 | 126 Ų | 126 | 74% | 0.736 | 61% | 0.611 | S | S | * | * | trans | -125.6 | 142.5 | 177.4 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 115 | F | 97.6 | Very high | 79.4 | Confident | 35 Ų | 35 | 118.8 Ų | 118.8 | 15% | 0.154 | 58% | 0.58 | C | S | . | * | P | Polyproline II helix | trans | -62.4 | 152.1 | 170.7 | -56.1 | -50.3 | 0 | 0 | 0 | 111.5 | F398 E401 L402 C426 H505 | F115-F398 HydrophobicContact CD1-CD2 4.35Å; F115-F398 HydrophobicContact CD1-CE2 4.24Å; F115-F398 HydrophobicContact CD2-CD2 4.46Å; F115-F398 AromaticContact CD2-CE2 3.8Å; F115-F398 HydrophobicContact CD2-CE2 3.8Å; F115-F398 HydrophobicContact CE1-CE2 4.22Å; F115-F398 AromaticContact CE2-CE2 3.74Å; F115-F398 HydrophobicContact CE2-CE2 3.74Å; F115-F398 HydrophobicContact CG-CD2 4.28Å; F115-F398 HydrophobicContact CG-CE2 4.05Å; F115-F398 AromaticContact CZ-CE2 3.98Å; F115-F398 HydrophobicContact CZ-CE2 3.98Å; F115-E401 HydrophobicContact CD1-CB 3.76Å; F115-E401 HydrophobicContact CD1-CG 4.48Å; F115-E401 HydrophobicContact CE1-CB 4.07Å; F115-L402 HydrophobicContact CE1-CD2 4.04Å; F115-L402 HydrophobicContact CE2-CD2 4.4Å; F115-L402 HydrophobicContact CZ-CD2 3.58Å; F115-C426 HydrophobicContact CE2-CB 4.16Å; F115-C426 VanDerWaalsContact CE2-O 3.25Å; F115-C426 WeakPolarHBondContact CE2-O 3.27Å; F115-C426 HydrophobicContact CZ-CB 4Å; F115-H505 AromaticContact CE1-CD2 3.78Å |
| 116 | K | 97.9 | Very high | 82.4 | Confident | 109 Ų | 109 | 114.5 Ų | 114.5 | 47% | 0.474 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 138.4 | 173.5 | -74.3 | 176.1 | -174.6 | -177.1 | 0 | 110.8 | R322 E397 E401 | K116-R322 WeakPolarHBondContact O-CD 3.47Å; K116-R322 PolarHBondContact O-NH1 3.41Å; K116-E397 WeakPolarHBondContact CD-OE2 3.32Å; K116-E397 IonicContact NZ-OE1 2.76Å; K116-E397 IonicContact NZ-OE2 3.6Å; K116-E397 PolarHBondContact NZ-OE2 3.25Å; K116-E401 VanDerWaalsContact CG-OE1 3.32Å; K116-E401 WeakPolarHBondContact CG-OE1 3.36Å; K116-E401 PolarHBondContact N-OE1 2.86Å |
| 117 | P | 97.7 | Very high | 85.2 | Confident | 101 Ų | 101 | 108.7 Ų | 108.7 | 66% | 0.656 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 159.6 | 179.7 | 31.1 | -36 | 0 | 0 | 0 | 111.4 | T119 | P117-T119 PolarHBondContact O-N 3.03Š|
| 118 | Q | 97.9 | Very high | 87.9 | Confident | 70 Ų | 70 | 107.6 Ų | 107.6 | 33% | 0.327 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -65 | 120.1 | 172 | -174.3 | 68.6 | 13 | 0 | 0 | 110.2 | F120 S319 K320 R322 | Q118-F120 WeakPolarHBondContact CG-O 3.44Å; Q118-F120 PolarHBondContact NE2-O 3.09Å; Q118-S319 PolarHBondContact NE2-O 3.23Å; Q118-K320 PolarHBondContact NE2-O 2.88Å; Q118-R322 VanDerWaalsContact OE1-CB 3.3Å; Q118-R322 VanDerWaalsContact OE1-CG 3.3Å |
| 119 | T | 97.6 | Very high | 90.4 | Very high | 130 Ų | 130 | 105.1 Ų | 105.1 | 80% | 0.798 | 52% | 0.518 | S | S | * | . | trans | -108.6 | -21.6 | 173.3 | 58 | 0 | 0 | 0 | 0 | 112.3 | P117 | P117-T119 PolarHBondContact O-N 3.03Š| ||
| 120 | F | 97.8 | Very high | 92.8 | Very high | 51 Ų | 51 | 99.4 Ų | 99.4 | 22% | 0.224 | 51% | 0.509 | C | S | . | . | trans | -85.5 | 128.4 | -178.4 | -168.3 | -94.8 | 0 | 0 | 0 | 110.8 | Q118 Y122 N205 L207 S319 | Q118-F120 WeakPolarHBondContact CG-O 3.44Å; Q118-F120 PolarHBondContact NE2-O 3.09Å; F120-Y122 HydrophobicContact CE1-CD2 4.15Å; F120-N205 WeakPolarHBondContact CE1-O 3.2Å; F120-N205 HydrophobicContact CZ-CB 4.41Å; F120-N205 VanDerWaalsContact CZ-CG 3.42Å; F120-N205 VanDerWaalsContact CZ-ND2 3.25Å; F120-N205 WeakPolarHBondContact CZ-ND2 3.1Å; F120-N205 WeakPolarHBondContact CZ-O 3.31Å; F120-N205 WeakPolarHBondContact CZ-OD1 3.43Å; F120-L207 HydrophobicContact CD1-CD2 4.3Å; F120-L207 HydrophobicContact CD2-CD2 4.12Å; F120-L207 HydrophobicContact CE1-CD2 4.3Å; F120-L207 HydrophobicContact CE2-CD2 4.14Å; F120-L207 HydrophobicContact CG-CD2 4.18Å; F120-L207 HydrophobicContact CZ-CD2 4.2Å; F120-S319 VanDerWaalsContact CD1-O 3.31Å; F120-S319 WeakPolarHBondContact CD1-O 3.47Å | ||
| 121 | T | 97.6 | Very high | 94.9 | Very high | 115 Ų | 115 | 93.7 Ų | 93.7 | 71% | 0.706 | 49% | 0.494 | S | S | * | . | trans | -98 | 119.1 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | N205 | T121-N205 PolarHBondContact O-ND2 2.84Š| ||
| 122 | Y | 98.2 | Very high | 96.2 | Very high | 16 Ų | 16 | 88.9 Ų | 88.9 | 6% | 0.063 | 47% | 0.474 | C | S | . | . | trans | -134.4 | 141.3 | 177.8 | -172.7 | -95.6 | 0 | 0 | 0 | 110.1 | F120 D203 N205 L206 A316 S319 K320 | F120-Y122 HydrophobicContact CE1-CD2 4.15Å; Y122-D203 HydrophobicContact CD2-CB 4.24Å; Y122-D203 HydrophobicContact CE2-CB 3.67Å; Y122-D203 WeakPolarHBondContact CE2-O 3.46Å; Y122-D203 PolarHBondContact OH-N 3.28Å; Y122-D203 PolarHBondContact OH-O 3.46Å; Y122-D203 VanDerWaalsContact OH-O 3.11Å; Y122-N205 HydrophobicContact CD2-CB 4.36Å; Y122-N205 WeakPolarHBondContact CD2-O 3.37Å; Y122-N205 WeakPolarHBondContact CE2-O 3.37Å; Y122-L206 HydrophobicContact CE2-CD2 3.73Å; Y122-L206 HydrophobicContact CE2-CG 4.18Å; Y122-L206 VanDerWaalsContact OH-CD2 3.28Å; Y122-L206 WeakPolarHBondContact OH-CD2 3.3Å; Y122-A316 HydrophobicContact CE1-CB 3.76Å; Y122-A316 WeakPolarHBondContact OH-CB 3.48Å; Y122-S319 WeakPolarHBondContact CB-O 3.07Å; Y122-K320 HydrophobicContact CD1-CB 4.19Å | ||
| 123 | R | 97.1 | Very high | 97 | Very high | 192 Ų | 192 | 83.5 Ų | 83.5 | 73% | 0.725 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -97.4 | 137.4 | 179 | -65 | 178.4 | 179.7 | 179 | 1.8 | 110 | ||
| 124 | D | 96.1 | Very high | 97.3 | Very high | 92 Ų | 92 | 82.1 Ų | 82.1 | 49% | 0.492 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 144.2 | 173.7 | -74.7 | -41.2 | 0 | 0 | 0 | 111 | K320 | D124-K320 WeakPolarHBondContact OD1-CD 3.07Å; D124-K320 IonicContact OD1-NZ 2.77Å; D124-K320 PolarHBondContact OD1-NZ 2.8Å; D124-K320 IonicContact OD2-NZ 2.71Å; D124-K320 PolarHBondContact OD2-NZ 3.21Å |
| 125 | P | 97.9 | Very high | 97.5 | Very high | 33 Ų | 33 | 77.9 Ų | 77.9 | 21% | 0.214 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 154.5 | 174.6 | 31.6 | -36.8 | 0 | 0 | 0 | 110.7 | W200 H201 Y202 | P125-W200 HydrophobicContact CB-CE3 3.85Å; P125-W200 HydrophobicContact CB-CZ3 4.4Å; P125-W200 HydrophobicContact CG-CE3 3.96Å; P125-W200 HydrophobicContact CG-CZ3 4.16Å; P125-W200 WeakPolarHBondContact O-CZ3 3.31Å; P125-H201 CarbonylContact C-O 3.51Å; P125-H201 WeakPolarHBondContact CA-O 3.38Å; P125-H201 WeakPolarHBondContact CB-O 3.42Å; P125-Y202 HydrophobicContact CB-CD1 3.52Å; P125-Y202 HydrophobicContact CB-CE1 3.8Å; P125-Y202 HydrophobicContact CB-CG 4.08Å; P125-Y202 HydrophobicContact CG-CD1 3.98Å; P125-Y202 HydrophobicContact CG-CE1 3.94Å |
| 126 | V | 98.3 | Very high | 97.5 | Very high | 78 Ų | 78 | 77.5 Ų | 77.5 | 47% | 0.473 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.3 | -179.8 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | R128 H201 | V126-R128 HydrophobicContact CG1-CG 4.17Å; V126-R128 PolarHBondContact O-N 3.27Å; V126-H201 PolarHBondContact N-O 3.13Å; V126-H201 PolarHBondContact O-N 3.19Å |
| 127 | L | 98.3 | Very high | 97.4 | Very high | 34 Ų | 34 | 74.9 Ų | 74.9 | 18% | 0.178 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 124.1 | 171.7 | -177.2 | 63.6 | 0 | 0 | 0 | 109.6 | P129 E196 W200 T377 | L127-P129 HydrophobicContact CG-CG 4.33Å; L127-E196 HydrophobicContact CD1-CG 3.64Å; L127-E196 HydrophobicContact CD2-CG 3.68Å; L127-E196 WeakPolarHBondContact CD2-OE1 3.14Å; L127-E196 HydrophobicContact CG-CG 4.31Å; L127-W200 HydrophobicContact CB-CD2 4.06Å; L127-W200 HydrophobicContact CB-CE3 3.88Å; L127-W200 HydrophobicContact CB-CH2 3.89Å; L127-W200 HydrophobicContact CB-CZ2 4.03Å; L127-W200 HydrophobicContact CB-CZ3 3.8Å; L127-W200 HydrophobicContact CD1-CD2 4.08Å; L127-W200 HydrophobicContact CD1-CG 4.19Å; L127-W200 HydrophobicContact CD1-CZ2 4.42Å; L127-W200 HydrophobicContact CD2-CZ2 4.38Å; L127-T377 HydrophobicContact CD2-CG2 3.87Å |
| 128 | R | 98.1 | Very high | 97.1 | Very high | 125 Ų | 125 | 79.3 Ų | 79.3 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | trans | -123.8 | 83.9 | 177.2 | -59.9 | -173.2 | -176.6 | -155.1 | 0.3 | 109.9 | V126 G130 I131 Y199 | V126-R128 HydrophobicContact CG1-CG 4.17Å; V126-R128 PolarHBondContact O-N 3.27Å; R128-G130 PolarHBondContact O-N 3.03Å; R128-I131 HydrophobicContact CB-CB 4.08Å; R128-I131 HydrophobicContact CB-CD1 4.37Å; R128-I131 PolarHBondContact O-N 3.05Å; R128-Y199 PolarHBondContact N-O 3.21Å | ||
| 129 | P | 96.4 | Very high | 96.9 | Very high | 103 Ų | 103 | 83 Ų | 83 | 67% | 0.669 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 133.7 | -175.5 | -26.5 | 35.4 | 0 | 0 | 0 | 112.2 | L127 I131 | L127-P129 HydrophobicContact CG-CG 4.33Å; P129-I131 PolarHBondContact O-N 3.46Å |
| 130 | G | 95.2 | Very high | 96.7 | Very high | 66 Ų | 66 | 82.3 Ų | 82.3 | 68% | 0.68 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -5.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R128 | R128-G130 PolarHBondContact O-N 3.03Š|
| 131 | I | 98 | Very high | 96.6 | Very high | 94 Ų | 94 | 82 Ų | 82 | 48% | 0.482 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -110.4 | 111.2 | 173.8 | -54.3 | 179 | 0 | 0 | 0 | 108.4 | R128 P129 G133 H201 | R128-I131 HydrophobicContact CB-CB 4.08Å; R128-I131 HydrophobicContact CB-CD1 4.37Å; R128-I131 PolarHBondContact O-N 3.05Å; P129-I131 PolarHBondContact O-N 3.46Å; I131-G133 PolarHBondContact O-N 3.3Å; I131-H201 PolarHBondContact O-NE2 3.28Å; I131-H201 VanDerWaalsContact O-NE2 3.13Å |
| 132 | L | 97.5 | Very high | 96.6 | Very high | 87 Ų | 87 | 80.8 Ų | 80.8 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | trans | -52.6 | 133.2 | 179.6 | -153.7 | 76.6 | 0 | 0 | 0 | 111.1 | E136 K198 H201 | L132-E136 HydrophobicContact CD1-CB 4.41Å; L132-E136 HydrophobicContact CD1-CG 3.98Å; L132-E136 HydrophobicContact CD2-CB 4.06Å; L132-E136 HydrophobicContact CD2-CG 4.02Å; L132-E136 HydrophobicContact CG-CB 3.89Å; L132-E136 HydrophobicContact CG-CG 3.96Å; L132-K198 HydrophobicContact CD1-CB 4.36Å; L132-H201 PolarHBondContact O-CE1 3.26Å; L132-H201 PolarHBondContact O-NE2 2.84Å | ||
| 133 | G | 95.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 82.2 Ų | 82.2 | 7% | 0.072 | 44% | 0.441 | C | S | . | . | trans | -64.3 | 150.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I131 F135 E136 K198 W200 | I131-G133 PolarHBondContact O-N 3.3Å; G133-F135 PolarHBondContact O-N 2.03Å; G133-F135 VanDerWaalsContact O-N 3.13Å; G133-E136 PolarHBondContact O-N 3.13Å; G133-K198 PolarHBondContact N-O 3.05Å; G133-W200 VanDerWaalsContact CA-O 3.27Å; G133-W200 WeakPolarHBondContact CA-O 3.27Å | ||
| 134 | N | 97.8 | Very high | 96.5 | Very high | 67 Ų | 67 | 74.7 Ų | 74.7 | 36% | 0.358 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -7.8 | -177 | 63.6 | -41.4 | 0 | 0 | 0 | 115 | H201 Y202 | N134-H201 VanDerWaalsContact OD1-CA 3.26Å; N134-H201 WeakPolarHBondContact OD1-CA 3.5Å; N134-Y202 PolarHBondContact ND2-O 3.42Å; N134-Y202 PolarHBondContact OD1-N 2.99Å |
| 135 | F | 98.1 | Very high | 96.6 | Very high | 30 Ų | 30 | 74.1 Ų | 74.1 | 13% | 0.132 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -0 | 175.1 | -78.2 | -101.8 | 0 | 0 | 0 | 114 | G133 Y202 E204 L206 P235 Y238 N309 A312 | G133-F135 PolarHBondContact O-N 2.03Å; G133-F135 VanDerWaalsContact O-N 3.13Å; F135-Y202 HydrophobicContact CD2-CD2 4.05Å; F135-Y202 HydrophobicContact CD2-CG 4.41Å; F135-E204 HydrophobicContact CE2-CG 4Å; F135-E204 HydrophobicContact CZ-CG 4.14Å; F135-L206 HydrophobicContact CE1-CD1 3.88Å; F135-L206 HydrophobicContact CE2-CD1 4.49Å; F135-L206 HydrophobicContact CZ-CD1 3.61Å; F135-P235 HydrophobicContact CD1-CG 4.15Å; F135-P235 HydrophobicContact CE1-CG 4.19Å; F135-Y238 AromaticContact CE1-CE2 3.61Å; F135-Y238 HydrophobicContact CE1-CE2 3.61Å; F135-Y238 HydrophobicContact CZ-CE2 4.02Å; F135-N309 VanDerWaalsContact CB-OD1 3.26Å; F135-N309 WeakPolarHBondContact CB-OD1 3.36Å; F135-A312 HydrophobicContact CB-CB 4.36Å; F135-A312 HydrophobicContact CD1-CB 3.73Å; F135-A312 HydrophobicContact CD2-CB 4.19Å; F135-A312 HydrophobicContact CE1-CB 3.9Å; F135-A312 HydrophobicContact CE2-CB 4.39Å; F135-A312 HydrophobicContact CG-CB 3.86Å; F135-A312 HydrophobicContact CZ-CB 4.24Å |
| 136 | E | 97.8 | Very high | 96.6 | Very high | 28 Ų | 28 | 79 Ų | 79 | 13% | 0.131 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -74.9 | 140.4 | 175.4 | -167.7 | 61.1 | -158.8 | 0 | 0 | 110 | L132 G133 K138 R193 K198 | L132-E136 HydrophobicContact CD1-CB 4.41Å; L132-E136 HydrophobicContact CD1-CG 3.98Å; L132-E136 HydrophobicContact CD2-CB 4.06Å; L132-E136 HydrophobicContact CD2-CG 4.02Å; L132-E136 HydrophobicContact CG-CB 3.89Å; L132-E136 HydrophobicContact CG-CG 3.96Å; G133-E136 PolarHBondContact O-N 3.13Å; E136-K138 PolarHBondContact O-N 3.23Å; E136-R193 IonicContact OE1-CZ 3.59Å; E136-R193 IonicContact OE1-NH2 2.77Å; E136-R193 PolarHBondContact OE1-NH2 3.4Å; E136-R193 IonicContact OE2-CZ 2.73Å; E136-R193 IonicContact OE2-NH1 2.94Å; E136-R193 PolarHBondContact OE2-NH1 3.04Å; E136-R193 IonicContact OE2-NH2 3.44Å; E136-R193 PolarHBondContact OE2-NH2 2.85Å; E136-R193 VanDerWaalsContact OE2-NH2 3.17Å; E136-K198 HydrophobicContact CG-CB 4.5Å |
| 137 | P | 95.4 | Very high | 96.3 | Very high | 54 Ų | 54 | 79.1 Ų | 79.1 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | trans | -57.7 | 129.7 | 171 | -23.9 | 35.1 | 0 | 0 | 0 | 110.5 | E139 V308 | P137-E139 VanDerWaalsContact C-N 3.27Å; P137-E139 WeakPolarHBondContact CB-O 3.31Å; P137-E139 PolarHBondContact O-N 2.97Å; P137-V308 HydrophobicContact CG-CG1 3.29Å | ||
| 138 | K | 92.6 | Very high | 96.2 | Very high | 193 Ų | 193 | 78.1 Ų | 78.1 | 84% | 0.839 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -67.9 | -32.4 | 178.4 | -64.3 | -177.1 | 179.8 | -179.5 | 0 | 112.2 | E136 | E136-K138 PolarHBondContact O-N 3.23Š|
| 139 | E | 93.8 | Very high | 96.1 | Very high | 149 Ų | 149 | 74.8 Ų | 74.8 | 70% | 0.696 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -124.5 | 153.7 | 179.4 | -65.1 | -60.9 | 156.8 | 0 | 0 | 109.5 | P137 E141 | P137-E139 VanDerWaalsContact C-N 3.27Å; P137-E139 WeakPolarHBondContact CB-O 3.31Å; P137-E139 PolarHBondContact O-N 2.97Å; E139-E141 PolarHBondContact O-N 2.75Å |
| 140 | P | 93.6 | Very high | 96.2 | Very high | 114 Ų | 114 | 70.1 Ų | 70.1 | 74% | 0.74 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -55 | 138.1 | 175.2 | -24.5 | 34 | 0 | 0 | 0 | 112.2 | ||
| 141 | E | 95.4 | Very high | 96.3 | Very high | 46 Ų | 46 | 67.6 Ų | 67.6 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 128.5 | 177.8 | -170.1 | -174.2 | 100 | 0 | 0 | 110.5 | E139 S188 K232 R233 | E139-E141 PolarHBondContact O-N 2.75Å; E141-S188 WeakPolarHBondContact OE1-CA 3.21Å; E141-K232 WeakPolarHBondContact OE1-CE 3.26Å; E141-K232 IonicContact OE1-NZ 3.62Å; E141-K232 PolarHBondContact OE1-NZ 3.14Å; E141-R233 IonicContact OE1-CZ 3.04Å; E141-R233 IonicContact OE1-NE 3.23Å; E141-R233 IonicContact OE1-NH2 2.7Å; E141-R233 PolarHBondContact OE1-NH2 3.16Å; E141-R233 WeakPolarHBondContact OE2-CG 3.49Å; E141-R233 IonicContact OE2-CZ 3.77Å; E141-R233 IonicContact OE2-NE 3.54Å; E141-R233 PolarHBondContact OE2-NE 2.95Å; E141-R233 IonicContact OE2-NH2 2.89Å |
| 142 | P | 96.6 | Very high | 96.3 | Very high | 89 Ų | 89 | 69.7 Ų | 69.7 | 58% | 0.578 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 142.1 | 177.1 | 26.7 | -33.7 | 0 | 0 | 0 | 110.8 | K232 | P142-K232 PolarHBondContact O-NZ 2.8Š|
| 143 | P | 97.5 | Very high | 96.3 | Very high | 46 Ų | 46 | 65.9 Ų | 65.9 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 152.1 | 173.6 | 30.9 | -35.4 | 0 | 0 | 0 | 110.2 | V146 E151 | P143-V146 HydrophobicContact CG-CG2 4.12Å; P143-E151 VanDerWaalsContact CA-OE2 3.3Å; P143-E151 WeakPolarHBondContact CA-OE2 3.04Å; P143-E151 VanDerWaalsContact CB-CD 3.44Å; P143-E151 HydrophobicContact CB-CG 4.03Å; P143-E151 VanDerWaalsContact CB-OE2 3.23Å; P143-E151 WeakPolarHBondContact CB-OE2 3.3Å |
| 144 | G | 97.2 | Very high | 96.4 | Very high | 34 Ų | 34 | 72.4 Ų | 72.4 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -68.3 | -39.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | E151 D186 | G144-E151 WeakPolarHBondContact CA-OE1 3.33Å; G144-E151 PolarHBondContact N-OE1 2.82Å; G144-D186 PolarHBondContact N-O 3.16Å |
| 145 | V | 97.7 | Very high | 96.4 | Very high | 79 Ų | 79 | 73 Ų | 73 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -128 | 122.7 | 169.2 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | G147 G148 E151 | V145-G147 PolarHBondContact O-N 2.92Å; V145-G147 VanDerWaalsContact O-N 3.1Å; V145-G148 PolarHBondContact O-N 3.37Å; V145-E151 PolarHBondContact N-OE1 3.03Å; V145-E151 WeakPolarHBondContact O-CG 3.25Å |
| 146 | V | 96.6 | Very high | 96.4 | Very high | 135 Ų | 135 | 72.9 Ų | 72.9 | 82% | 0.818 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 116.6 | -179 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | P143 G148 | P143-V146 HydrophobicContact CG-CG2 4.12Å; V146-G148 PolarHBondContact O-N 2.82Å |
| 147 | G | 93.3 | Very high | 96.4 | Very high | 81 Ų | 81 | 77.1 Ų | 77.1 | 84% | 0.835 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 12.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V145 | V145-G147 PolarHBondContact O-N 2.92Å; V145-G147 VanDerWaalsContact O-N 3.1Å |
| 148 | G | 95.2 | Very high | 96.4 | Very high | 14 Ų | 14 | 76.3 Ų | 76.3 | 14% | 0.144 | 44% | 0.443 | C | S | . | . | trans | -67.4 | 162.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V145 V146 E151 | V145-G148 PolarHBondContact O-N 3.37Å; V146-G148 PolarHBondContact O-N 2.82Å; G148-E151 WeakPolarHBondContact O-CG 3.09Å | ||
| 149 | P | 97.5 | Very high | 96.4 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 36% | 0.357 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 143.8 | 177.1 | 30.4 | -37 | 0 | 0 | 0 | 111.3 | E151 L156 M182 | P149-E151 PolarHBondContact O-N 3.01Å; P149-E151 VanDerWaalsContact O-N 3.16Å; P149-L156 HydrophobicContact CB-CD1 3.62Å; P149-L156 HydrophobicContact CB-CD2 3.95Å; P149-L156 HydrophobicContact CB-CG 4.36Å; P149-M182 HydrophobicContact CG-CB 4.41Å; P149-M182 WeakPolarHBondContact CG-O 3.39Å |
| 150 | G | 97.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 4% | 0.041 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -2.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | A153 K154 R187 | G150-A153 WeakPolarHBondContact O-CA 3.35Å; G150-A153 PolarHBondContact O-N 3.36Å; G150-K154 WeakPolarHBondContact CA-O 3.22Å; G150-R187 VanDerWaalsContact O-CD 3.22Å; G150-R187 WeakPolarHBondContact O-CD 3.28Å; G150-R187 PolarHBondContact O-NH1 2.95Å |
| 151 | E | 97.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 67.5 Ų | 67.5 | 7% | 0.065 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -62.1 | 145.6 | 176 | -69.5 | -69.4 | 168.5 | 0 | 0 | 111.7 | P143 G144 V145 G148 P149 A153 K154 S188 | P143-E151 VanDerWaalsContact CA-OE2 3.3Å; P143-E151 WeakPolarHBondContact CA-OE2 3.04Å; P143-E151 VanDerWaalsContact CB-CD 3.44Å; P143-E151 HydrophobicContact CB-CG 4.03Å; P143-E151 VanDerWaalsContact CB-OE2 3.23Å; P143-E151 WeakPolarHBondContact CB-OE2 3.3Å; G144-E151 WeakPolarHBondContact CA-OE1 3.33Å; G144-E151 PolarHBondContact N-OE1 2.82Å; V145-E151 PolarHBondContact N-OE1 3.03Å; V145-E151 WeakPolarHBondContact O-CG 3.25Å; G148-E151 WeakPolarHBondContact O-CG 3.09Å; P149-E151 PolarHBondContact O-N 3.01Å; P149-E151 VanDerWaalsContact O-N 3.16Å; E151-A153 PolarHBondContact O-N 3.25Å; E151-K154 WeakPolarHBondContact O-CG 3.43Å; E151-K154 PolarHBondContact O-N 2.92Å; E151-K154 VanDerWaalsContact O-N 3.1Å; E151-S188 WeakPolarHBondContact OE2-CB 3.46Å; E151-S188 PolarHBondContact OE2-N 3.4Å; E151-S188 PolarHBondContact OE2-OG 2.59Å |
| 152 | K | 97 | Very high | 96.8 | Very high | 137 Ų | 137 | 68.5 Ų | 68.5 | 60% | 0.596 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | 53.1 | 29.9 | -172.3 | -54.4 | -179.4 | -179.9 | -176.6 | 0 | 112.5 | K154 S188 | K152-K154 PolarHBondContact O-N 3.33Å; K152-S188 WeakPolarHBondContact CA-O 3.44Å; K152-S188 WeakPolarHBondContact CG-OG 3.32Å; K152-S188 PolarHBondContact N-O 2.83Å; K152-S188 PolarHBondContact N-OG 2.85Å |
| 153 | A | 97.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 70 Ų | 70 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | 53.6 | 32.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G150 E151 S188 N190 E339 I340 | G150-A153 WeakPolarHBondContact O-CA 3.35Å; G150-A153 PolarHBondContact O-N 3.36Å; E151-A153 PolarHBondContact O-N 3.25Å; A153-S188 PolarHBondContact N-O 3.17Å; A153-N190 HydrophobicContact CB-CB 4.13Å; A153-N190 WeakPolarHBondContact CB-OD1 3.16Å; A153-E339 WeakPolarHBondContact O-CA 3.25Å; A153-E339 VanDerWaalsContact O-CB 3.31Å; A153-E339 WeakPolarHBondContact O-CB 3.39Å; A153-I340 HydrophobicContact CB-CB 4.2Å; A153-I340 HydrophobicContact CB-CD1 4.17Å; A153-I340 HydrophobicContact CB-CG1 3.75Å |
| 154 | K | 97.9 | Very high | 96.8 | Very high | 144 Ų | 144 | 75 Ų | 75 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | trans | -67.3 | 139.5 | 170.7 | -72.4 | -176.7 | 178 | -175.7 | 0 | 110.2 | G150 E151 K152 L156 | G150-K154 WeakPolarHBondContact CA-O 3.22Å; E151-K154 WeakPolarHBondContact O-CG 3.43Å; E151-K154 PolarHBondContact O-N 2.92Å; E151-K154 VanDerWaalsContact O-N 3.1Å; K152-K154 PolarHBondContact O-N 3.33Å; K154-L156 PolarHBondContact O-N 3.15Å | ||
| 155 | P | 98.1 | Very high | 96.8 | Very high | 81 Ų | 81 | 75.8 Ų | 75.8 | 53% | 0.526 | 43% | 0.434 | S | S | . | . | trans | -63.8 | 133.1 | 179.3 | 26.3 | -34.1 | 0 | 0 | 0 | 110.6 | T337 E339 | P155-T337 WeakPolarHBondContact CA-O 3.44Å; P155-E339 HydrophobicContact CB-CB 4.15Å; P155-E339 HydrophobicContact CB-CG 4.49Å | ||
| 156 | L | 98.1 | Very high | 96.8 | Very high | 26 Ų | 26 | 73 Ų | 73 | 14% | 0.136 | 42% | 0.417 | C | S | . | . | trans | -100.8 | 100.6 | 173.6 | -177.7 | 61.9 | 0 | 0 | 0 | 109.7 | P149 K154 L158 A179 M182 I183 T337 | P149-L156 HydrophobicContact CB-CD1 3.62Å; P149-L156 HydrophobicContact CB-CD2 3.95Å; P149-L156 HydrophobicContact CB-CG 4.36Å; K154-L156 PolarHBondContact O-N 3.15Å; L156-L158 HydrophobicContact CD1-CD2 4.3Å; L156-L158 HydrophobicContact CD2-CD2 4.34Å; L156-L158 HydrophobicContact CG-CD2 4.1Å; L156-A179 HydrophobicContact CD2-CB 4.11Å; L156-M182 HydrophobicContact CD2-CB 4.26Å; L156-I183 HydrophobicContact CB-CD1 4.4Å; L156-I183 HydrophobicContact CD2-CD1 4.08Å; L156-I183 HydrophobicContact CD2-CG1 3.8Å; L156-T337 PolarHBondContact N-O 3.35Å | ||
| 157 | V | 97.4 | Very high | 96.9 | Very high | 117 Ų | 117 | 71.5 Ų | 71.5 | 71% | 0.709 | 40% | 0.401 | S | S | * | . | trans | -96.9 | 115.4 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | T337 | V157-T337 HydrophobicContact CG2-CG2 4.01Š| ||
| 158 | L | 96.4 | Very high | 97 | Very high | 37 Ų | 37 | 70.4 Ų | 70.4 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | trans | -88.9 | 153.3 | 176.8 | -61.1 | -178.5 | 0 | 0 | 0 | 111.4 | L156 F162 I166 V178 A179 M182 | L156-L158 HydrophobicContact CD1-CD2 4.3Å; L156-L158 HydrophobicContact CD2-CD2 4.34Å; L156-L158 HydrophobicContact CG-CD2 4.1Å; L158-F162 HydrophobicContact CB-CB 4.26Å; L158-F162 HydrophobicContact CB-CD2 3.95Å; L158-F162 HydrophobicContact CB-CG 4.35Å; L158-F162 HydrophobicContact CD1-CB 4.34Å; L158-F162 HydrophobicContact CD1-CD2 4.46Å; L158-F162 HydrophobicContact CD1-CG 4.29Å; L158-I166 HydrophobicContact CB-CD1 4.12Å; L158-I166 HydrophobicContact CD1-CD1 4.17Å; L158-V178 HydrophobicContact CD1-CB 4.25Å; L158-V178 HydrophobicContact CD1-CG1 3.79Å; L158-A179 HydrophobicContact CD1-CB 4.02Å; L158-A179 HydrophobicContact CG-CB 4.5Å; L158-M182 HydrophobicContact CD1-SD 4.43Å; L158-M182 HydrophobicContact CD2-SD 3.88Å | ||
| 159 | G | 92.7 | Very high | 97.1 | Very high | 24 Ų | 24 | 70.3 Ų | 70.3 | 25% | 0.247 | 38% | 0.381 | C | S | . | . | trans | -75 | 169.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E161 F162 | G159-E161 WeakPolarHBondContact CA-OE1 3.33Å; G159-E161 VanDerWaalsContact CA-OE2 3.26Å; G159-E161 WeakPolarHBondContact CA-OE2 3.07Å; G159-E161 PolarHBondContact O-N 2.97Å; G159-E161 VanDerWaalsContact O-N 3.16Å; G159-F162 PolarHBondContact O-N 3.47Å; G159-F162 VanDerWaalsContact O-N 3.12Å | ||
| 160 | P | 95.8 | Very high | 97.1 | Very high | 114 Ų | 114 | 68.7 Ų | 68.7 | 74% | 0.74 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -61.6 | -22.2 | -177.9 | 27.1 | -35.7 | 0 | 0 | 0 | 113.8 | F162 K163 | P160-F162 PolarHBondContact O-N 3.19Å; P160-K163 WeakPolarHBondContact O-CB 3.4Å; P160-K163 PolarHBondContact O-N 2.73Å; P160-K163 VanDerWaalsContact O-N 3.07Å |
| 161 | E | 97.4 | Very high | 97.1 | Very high | 134 Ų | 134 | 73.6 Ų | 73.6 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -58.9 | -28.2 | 174.7 | 66.9 | -76.6 | 178.5 | 0 | 0 | 112.9 | G159 | G159-E161 WeakPolarHBondContact CA-OE1 3.33Å; G159-E161 VanDerWaalsContact CA-OE2 3.26Å; G159-E161 WeakPolarHBondContact CA-OE2 3.07Å; G159-E161 PolarHBondContact O-N 2.97Å; G159-E161 VanDerWaalsContact O-N 3.16Å |
| 162 | F | 97.5 | Very high | 97 | Very high | 67 Ų | 67 | 77.4 Ų | 77.4 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -88.9 | -5.7 | 177.9 | -65.3 | -75.9 | 0 | 0 | 0 | 113.6 | L158 G159 P160 H164 A165 I166 V178 M182 | L158-F162 HydrophobicContact CB-CB 4.26Å; L158-F162 HydrophobicContact CB-CD2 3.95Å; L158-F162 HydrophobicContact CB-CG 4.35Å; L158-F162 HydrophobicContact CD1-CB 4.34Å; L158-F162 HydrophobicContact CD1-CD2 4.46Å; L158-F162 HydrophobicContact CD1-CG 4.29Å; G159-F162 PolarHBondContact O-N 3.47Å; G159-F162 VanDerWaalsContact O-N 3.12Å; P160-F162 PolarHBondContact O-N 3.19Å; F162-H164 VanDerWaalsContact C-N 3.31Å; F162-H164 PolarHBondContact O-N 3.35Å; F162-H164 VanDerWaalsContact O-N 3.16Å; F162-A165 PolarHBondContact O-N 3.37Å; F162-I166 HydrophobicContact CB-CD1 3.76Å; F162-I166 HydrophobicContact CB-CG1 4.08Å; F162-I166 VanDerWaalsContact O-CG1 3.28Å; F162-I166 WeakPolarHBondContact O-CG1 3.46Å; F162-I166 PolarHBondContact O-N 3.35Å; F162-V178 HydrophobicContact CD1-CG1 3.82Å; F162-V178 HydrophobicContact CE1-CG1 4.45Å; F162-V178 HydrophobicContact CG-CG1 4.41Å; F162-M182 HydrophobicContact CD1-CE 4.42Å; F162-M182 HydrophobicContact CE1-CE 3.78Å; F162-M182 HydrophobicContact CZ-CE 3.97Å |
| 163 | K | 96.2 | Very high | 97 | Very high | 121 Ų | 121 | 72.1 Ų | 72.1 | 53% | 0.526 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -52.6 | -44.8 | -169.8 | -177.2 | 179.4 | 179.4 | -179.7 | 0 | 113.5 | P160 I166 Q167 | P160-K163 WeakPolarHBondContact O-CB 3.4Å; P160-K163 PolarHBondContact O-N 2.73Å; P160-K163 VanDerWaalsContact O-N 3.07Å; K163-I166 PolarHBondContact O-N 2.97Å; K163-Q167 WeakPolarHBondContact O-CB 3.5Å; K163-Q167 VanDerWaalsContact O-CG 3.31Å; K163-Q167 WeakPolarHBondContact O-CG 3.38Å; K163-Q167 PolarHBondContact O-N 3Å |
| 164 | H | 97.2 | Very high | 96.9 | Very high | 151 Ų | 151 | 71.8 Ų | 71.8 | 70% | 0.699 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.4 | -42.3 | -179.7 | -72 | -68.6 | 0 | 0 | 0 | 112.5 | F162 Q167 A168 | F162-H164 VanDerWaalsContact C-N 3.31Å; F162-H164 PolarHBondContact O-N 3.35Å; F162-H164 VanDerWaalsContact O-N 3.16Å; H164-Q167 PolarHBondContact O-N 2.95Å; H164-A168 WeakPolarHBondContact O-CB 3.31Å; H164-A168 PolarHBondContact O-N 3.38Å |
| 165 | A | 98 | Very high | 96.8 | Very high | 49 Ų | 49 | 64.9 Ų | 64.9 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F162 A168 S169 V178 | F162-A165 PolarHBondContact O-N 3.37Å; A165-A168 PolarHBondContact O-N 3.32Å; A165-S169 PolarHBondContact O-N 3.46Å; A165-S169 PolarHBondContact O-OG 2.63Å; A165-V178 HydrophobicContact CB-CG2 3.78Å |
| 166 | I | 98 | Very high | 96.8 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 11% | 0.108 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.4 | -53.3 | 174.3 | -66.6 | 169 | 0 | 0 | 0 | 109.8 | L158 F162 K163 A168 S169 I170 N176 V178 | L158-I166 HydrophobicContact CB-CD1 4.12Å; L158-I166 HydrophobicContact CD1-CD1 4.17Å; F162-I166 HydrophobicContact CB-CD1 3.76Å; F162-I166 HydrophobicContact CB-CG1 4.08Å; F162-I166 VanDerWaalsContact O-CG1 3.28Å; F162-I166 WeakPolarHBondContact O-CG1 3.46Å; F162-I166 PolarHBondContact O-N 3.35Å; K163-I166 PolarHBondContact O-N 2.97Å; I166-A168 VanDerWaalsContact C-N 3.31Å; I166-A168 PolarHBondContact O-N 3.5Å; I166-S169 PolarHBondContact O-N 3Å; I166-S169 VanDerWaalsContact O-N 3.13Å; I166-S169 PolarHBondContact O-OG 2.86Å; I166-I170 HydrophobicContact CG2-CD1 3.58Å; I166-I170 HydrophobicContact CG2-CG1 4.24Å; I166-I170 VanDerWaalsContact O-CG1 3.32Å; I166-I170 WeakPolarHBondContact O-CG1 3.22Å; I166-I170 PolarHBondContact O-N 2.81Å; I166-N176 HydrophobicContact CG2-CB 4.25Å; I166-V178 HydrophobicContact CG1-CB 4.2Å; I166-V178 HydrophobicContact CG1-CG2 4.29Å |
| 167 | Q | 97.1 | Very high | 96.9 | Very high | 104 Ų | 104 | 60.4 Ų | 60.4 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 179.3 | -75.5 | 178.2 | -18.5 | 0 | 0 | 112.7 | K163 H164 I170 K171 | K163-Q167 WeakPolarHBondContact O-CB 3.5Å; K163-Q167 VanDerWaalsContact O-CG 3.31Å; K163-Q167 WeakPolarHBondContact O-CG 3.38Å; K163-Q167 PolarHBondContact O-N 3Å; H164-Q167 PolarHBondContact O-N 2.95Å; Q167-I170 PolarHBondContact O-N 3.07Å; Q167-K171 WeakPolarHBondContact O-CB 3.33Å; Q167-K171 PolarHBondContact O-N 2.99Å |
| 168 | A | 97.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H164 A165 I166 I170 K171 E172 | H164-A168 WeakPolarHBondContact O-CB 3.31Å; H164-A168 PolarHBondContact O-N 3.38Å; A165-A168 PolarHBondContact O-N 3.32Å; I166-A168 VanDerWaalsContact C-N 3.31Å; I166-A168 PolarHBondContact O-N 3.5Å; A168-I170 PolarHBondContact O-N 3.08Å; A168-K171 WeakPolarHBondContact O-CB 3.39Å; A168-K171 PolarHBondContact O-N 2.95Å; A168-E172 PolarHBondContact O-N 3.36Å; A168-E172 VanDerWaalsContact O-N 3.16Å |
| 169 | S | 97.3 | Very high | 97 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 8% | 0.077 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 178.4 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | A165 I166 E172 F173 F175 M177 | A165-S169 PolarHBondContact O-N 3.46Å; A165-S169 PolarHBondContact O-OG 2.63Å; I166-S169 PolarHBondContact O-N 3Å; I166-S169 VanDerWaalsContact O-N 3.13Å; I166-S169 PolarHBondContact O-OG 2.86Å; S169-E172 PolarHBondContact O-N 2.73Å; S169-F173 PolarHBondContact O-N 2.94Å; S169-F175 CarbonylContact C-O 3.58Å; S169-F175 PolarHBondContact OG-O 3.3Å; S169-M177 PolarHBondContact OG-N 3.04Å |
| 170 | I | 97.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 175.9 | -68.1 | 172 | 0 | 0 | 0 | 110.2 | I166 Q167 A168 E172 G174 F175 L444 E445 | I166-I170 HydrophobicContact CG2-CD1 3.58Å; I166-I170 HydrophobicContact CG2-CG1 4.24Å; I166-I170 VanDerWaalsContact O-CG1 3.32Å; I166-I170 WeakPolarHBondContact O-CG1 3.22Å; I166-I170 PolarHBondContact O-N 2.81Å; Q167-I170 PolarHBondContact O-N 3.07Å; A168-I170 PolarHBondContact O-N 3.08Å; I170-E172 PolarHBondContact O-N 2.82Å; I170-G174 WeakPolarHBondContact O-CA 3.47Å; I170-G174 PolarHBondContact O-N 3.38Å; I170-F175 WeakPolarHBondContact CA-O 3.21Å; I170-F175 PolarHBondContact N-O 3.2Å; I170-L444 HydrophobicContact CD1-CD1 3.57Å; I170-L444 HydrophobicContact CG1-CD1 3.84Å; I170-L444 HydrophobicContact CG2-CB 3.97Å; I170-E445 WeakPolarHBondContact CG2-O 3.22Å |
| 171 | K | 96.4 | Very high | 97.4 | Very high | 107 Ų | 107 | 52.7 Ų | 52.7 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 177.6 | -171.4 | 177.7 | 178.6 | -179.5 | 0 | 111.8 | Q167 A168 Q448 | Q167-K171 WeakPolarHBondContact O-CB 3.33Å; Q167-K171 PolarHBondContact O-N 2.99Å; A168-K171 WeakPolarHBondContact O-CB 3.39Å; A168-K171 PolarHBondContact O-N 2.95Å; K171-Q448 HydrophobicContact CG-CG 3.77Å; K171-Q448 PolarHBondContact O-N 2.86Å |
| 172 | E | 95.7 | Very high | 97.5 | Very high | 94 Ų | 94 | 50.2 Ų | 50.2 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -79.3 | -49.7 | -177.4 | -173.3 | 171.7 | -177.2 | 0 | 0 | 113.5 | A168 S169 I170 K251 W447 | A168-E172 PolarHBondContact O-N 3.36Å; A168-E172 VanDerWaalsContact O-N 3.16Å; S169-E172 PolarHBondContact O-N 2.73Å; I170-E172 PolarHBondContact O-N 2.82Å; E172-K251 WeakPolarHBondContact OE1-CE 3.4Å; E172-K251 IonicContact OE1-NZ 3.99Å; E172-K251 PolarHBondContact OE1-NZ 2.82Å; E172-W447 PolarHBondContact O-NE1 3.11Å |
| 173 | F | 96.3 | Very high | 97.5 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -109.6 | -18.8 | -170.4 | -60.3 | -78.4 | 0 | 0 | 0 | 113.9 | S169 F175 M177 | S169-F173 PolarHBondContact O-N 2.94Å; F173-F175 VanDerWaalsContact C-N 3.27Å; F173-F175 HydrophobicContact CB-CD2 4.41Å; F173-M177 HydrophobicContact CB-CG 3.96Å; F173-M177 HydrophobicContact CB-SD 4.35Å; F173-M177 HydrophobicContact CD2-CB 4.48Å; F173-M177 HydrophobicContact CD2-CG 3.46Å; F173-M177 VanDerWaalsContact CD2-CG 3.46Å; F173-M177 HydrophobicContact CE2-CG 4.14Å; F173-M177 HydrophobicContact CG-CG 3.81Å; F173-M177 HydrophobicContact CG-SD 4.4Å |
| 174 | G | 96.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 79.4 | 8.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I170 R443 L444 W447 | I170-G174 WeakPolarHBondContact O-CA 3.47Å; I170-G174 PolarHBondContact O-N 3.38Å; G174-R443 WeakPolarHBondContact O-CA 3.37Å; G174-L444 PolarHBondContact O-N 3.21Å; G174-W447 VanDerWaalsContact N-CD1 3.27Å |
| 175 | F | 96.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -131.9 | 155.9 | 178.3 | -46.9 | -53.9 | 0 | 0 | 0 | 110 | S169 I170 F173 M177 E218 T222 H303 I441 R443 | S169-F175 CarbonylContact C-O 3.58Å; S169-F175 PolarHBondContact OG-O 3.3Å; I170-F175 WeakPolarHBondContact CA-O 3.21Å; I170-F175 PolarHBondContact N-O 3.2Å; F173-F175 VanDerWaalsContact C-N 3.27Å; F173-F175 HydrophobicContact CB-CD2 4.41Å; F175-M177 VanDerWaalsContact C-N 3.33Å; F175-M177 HydrophobicContact CB-SD 4.32Å; F175-M177 PolarHBondContact O-N 3.07Å; F175-E218 WeakPolarHBondContact CE2-OE1 3.49Å; F175-T222 HydrophobicContact CD2-CG2 4.44Å; F175-H303 HydrophobicContact CE2-CB 4.27Å; F175-H303 HydrophobicContact CZ-CB 4.33Å; F175-H303 AromaticContact CZ-CG 3.84Å; F175-H303 AromaticContact CZ-ND1 3.92Å; F175-I441 HydrophobicContact CD1-CB 4.33Å; F175-I441 HydrophobicContact CD1-CG2 3.36Å; F175-I441 HydrophobicContact CE1-CB 3.99Å; F175-I441 HydrophobicContact CE1-CG2 3.45Å; F175-I441 VanDerWaalsContact CE1-CG2 3.45Å; F175-I441 HydrophobicContact CG-CG2 4.05Å; F175-I441 HydrophobicContact CZ-CB 4.35Å; F175-I441 HydrophobicContact CZ-CG2 4.22Å; F175-R443 HydrophobicContact CD1-CG 4.17Å; F175-R443 HydrophobicContact CE1-CB 4.17Å; F175-R443 HydrophobicContact CE1-CG 3.35Å; F175-R443 HydrophobicContact CZ-CG 3.67Å |
| 176 | N | 98.2 | Very high | 97.8 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | trans | -74.1 | 89 | 168.1 | -177.8 | -10 | 0 | 0 | 0 | 109 | I166 V178 A179 S180 G335 N336 Y338 | I166-N176 HydrophobicContact CG2-CB 4.25Å; N176-V178 VanDerWaalsContact C-N 3.29Å; N176-V178 PolarHBondContact O-N 3.05Å; N176-V178 PolarHBondContact OD1-N 2.57Å; N176-A179 HydrophobicContact CB-CB 4.32Å; N176-A179 PolarHBondContact O-N 3.32Å; N176-A179 PolarHBondContact OD1-N 2.94Å; N176-S180 PolarHBondContact O-N 3.47Å; N176-G335 WeakPolarHBondContact CB-O 3.09Å; N176-G335 PolarHBondContact N-O 2.99Å; N176-N336 PolarHBondContact ND2-O 3.47Å; N176-N336 VanDerWaalsContact ND2-O 3.12Å; N176-N336 PolarHBondContact ND2-OD1 3.44Å; N176-Y338 HydrophobicContact CB-CE2 4.41Å; N176-Y338 VanDerWaalsContact O-CE2 3.22Å; N176-Y338 WeakPolarHBondContact O-CE2 3.29Å; N176-Y338 PolarHBondContact O-OH 3.4Å | ||
| 177 | M | 98.5 | Very high | 97.8 | Very high | 11 Ų | 11 | 37 Ų | 37 | 5% | 0.054 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.6 | -28.6 | -179.7 | -65.7 | -59.9 | -61.1 | 0 | 0 | 112 | S169 F173 F175 A179 S180 D181 G219 S221 T222 | S169-M177 PolarHBondContact OG-N 3.04Å; F173-M177 HydrophobicContact CB-CG 3.96Å; F173-M177 HydrophobicContact CB-SD 4.35Å; F173-M177 HydrophobicContact CD2-CB 4.48Å; F173-M177 HydrophobicContact CD2-CG 3.46Å; F173-M177 VanDerWaalsContact CD2-CG 3.46Å; F173-M177 HydrophobicContact CE2-CG 4.14Å; F173-M177 HydrophobicContact CG-CG 3.81Å; F173-M177 HydrophobicContact CG-SD 4.4Å; F175-M177 VanDerWaalsContact C-N 3.33Å; F175-M177 HydrophobicContact CB-SD 4.32Å; F175-M177 PolarHBondContact O-N 3.07Å; M177-A179 VanDerWaalsContact C-N 3.31Å; M177-A179 PolarHBondContact O-N 3.45Å; M177-S180 WeakPolarHBondContact O-CB 3.4Å; M177-S180 PolarHBondContact O-N 2.84Å; M177-S180 VanDerWaalsContact O-N 3.16Å; M177-D181 WeakPolarHBondContact O-CB 3.46Å; M177-D181 PolarHBondContact O-N 2.87Å; M177-G219 VanDerWaalsContact CE-CA 3.5Å; M177-S221 WeakPolarHBondContact CE-OG 3.39Å; M177-T222 HydrophobicContact CE-CG2 4.45Å; M177-T222 HydrophobicContact SD-CG2 4.06Å |
| 178 | V | 98.5 | Very high | 97.9 | Very high | 27 Ų | 27 | 32.2 Ų | 32.2 | 16% | 0.164 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | L158 F162 A165 I166 N176 M182 | L158-V178 HydrophobicContact CD1-CB 4.25Å; L158-V178 HydrophobicContact CD1-CG1 3.79Å; F162-V178 HydrophobicContact CD1-CG1 3.82Å; F162-V178 HydrophobicContact CE1-CG1 4.45Å; F162-V178 HydrophobicContact CG-CG1 4.41Å; A165-V178 HydrophobicContact CB-CG2 3.78Å; I166-V178 HydrophobicContact CG1-CB 4.2Å; I166-V178 HydrophobicContact CG1-CG2 4.29Å; N176-V178 VanDerWaalsContact C-N 3.29Å; N176-V178 PolarHBondContact O-N 3.05Å; N176-V178 PolarHBondContact OD1-N 2.57Å; V178-M182 HydrophobicContact CG1-CE 3.95Å; V178-M182 WeakPolarHBondContact O-CG 3.37Å |
| 179 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.7 | -45 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L156 L158 N176 M177 D181 M182 I183 Y338 | L156-A179 HydrophobicContact CD2-CB 4.11Å; L158-A179 HydrophobicContact CD1-CB 4.02Å; L158-A179 HydrophobicContact CG-CB 4.5Å; N176-A179 HydrophobicContact CB-CB 4.32Å; N176-A179 PolarHBondContact O-N 3.32Å; N176-A179 PolarHBondContact OD1-N 2.94Å; M177-A179 VanDerWaalsContact C-N 3.31Å; M177-A179 PolarHBondContact O-N 3.45Å; A179-D181 VanDerWaalsContact C-N 3.33Å; A179-D181 PolarHBondContact O-N 3.11Å; A179-M182 PolarHBondContact O-N 2.92Å; A179-I183 WeakPolarHBondContact O-CG1 3.39Å; A179-I183 PolarHBondContact O-N 2.92Å; A179-Y338 HydrophobicContact CB-CD2 4.02Å; A179-Y338 HydrophobicContact CB-CE2 3.91Å |
| 180 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55 | -47.7 | 178.2 | -153.2 | 0 | 0 | 0 | 0 | 112.2 | N176 M177 M182 I183 S221 R225 Y338 | N176-S180 PolarHBondContact O-N 3.47Å; M177-S180 WeakPolarHBondContact O-CB 3.4Å; M177-S180 PolarHBondContact O-N 2.84Å; M177-S180 VanDerWaalsContact O-N 3.16Å; S180-M182 PolarHBondContact O-N 2.98Å; S180-I183 PolarHBondContact O-N 3.11Å; S180-S221 VanDerWaalsContact CB-OG 3.26Å; S180-S221 WeakPolarHBondContact CB-OG 3.18Å; S180-S221 PolarHBondContact OG-OG 2.81Å; S180-R225 PolarHBondContact O-NH2 3.1Å; S180-R225 PolarHBondContact OG-NH2 3.49Å; S180-Y338 VanDerWaalsContact CB-CZ 3.49Å; S180-Y338 VanDerWaalsContact CB-OH 3.22Å; S180-Y338 WeakPolarHBondContact CB-OH 3.42Å; S180-Y338 WeakPolarHBondContact OG-CE1 3.32Å; S180-Y338 PolarHBondContact OG-OH 3.39Å |
| 181 | D | 98.6 | Very high | 98 | Very high | 103 Ų | 103 | 34.6 Ų | 34.6 | 55% | 0.551 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -66.5 | -22 | -173.6 | -67.4 | -12 | 0 | 0 | 0 | 112.3 | M177 A179 S221 | M177-D181 WeakPolarHBondContact O-CB 3.46Å; M177-D181 PolarHBondContact O-N 2.87Å; A179-D181 VanDerWaalsContact C-N 3.33Å; A179-D181 PolarHBondContact O-N 3.11Å; D181-S221 WeakPolarHBondContact OD1-CB 3.42Å; D181-S221 PolarHBondContact OD1-OG 3.39Å |
| 182 | M | 98.4 | Very high | 98.1 | Very high | 82 Ų | 82 | 31.6 Ų | 31.6 | 40% | 0.404 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -83.8 | -21.6 | 174.2 | -64.3 | 179 | -175.8 | 0 | 0 | 113.3 | P149 L156 L158 F162 V178 A179 S180 | P149-M182 HydrophobicContact CG-CB 4.41Å; P149-M182 WeakPolarHBondContact CG-O 3.39Å; L156-M182 HydrophobicContact CD2-CB 4.26Å; L158-M182 HydrophobicContact CD1-SD 4.43Å; L158-M182 HydrophobicContact CD2-SD 3.88Å; F162-M182 HydrophobicContact CD1-CE 4.42Å; F162-M182 HydrophobicContact CE1-CE 3.78Å; F162-M182 HydrophobicContact CZ-CE 3.97Å; V178-M182 HydrophobicContact CG1-CE 3.95Å; V178-M182 WeakPolarHBondContact O-CG 3.37Å; A179-M182 PolarHBondContact O-N 2.92Å; S180-M182 PolarHBondContact O-N 2.98Å |
| 183 | I | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -83.3 | 137 | -179.3 | -63.4 | 169.7 | 0 | 0 | 0 | 109.1 | L156 A179 S180 L185 R187 R225 Y338 | L156-I183 HydrophobicContact CB-CD1 4.4Å; L156-I183 HydrophobicContact CD2-CD1 4.08Å; L156-I183 HydrophobicContact CD2-CG1 3.8Å; A179-I183 WeakPolarHBondContact O-CG1 3.39Å; A179-I183 PolarHBondContact O-N 2.92Å; S180-I183 PolarHBondContact O-N 3.11Å; I183-L185 PolarHBondContact O-N 3.45Å; I183-R187 HydrophobicContact CG2-CB 4.07Å; I183-R187 VanDerWaalsContact CG2-CD 3.46Å; I183-R187 HydrophobicContact CG2-CG 3.89Å; I183-R225 VanDerWaalsContact C-NH1 3.31Å; I183-R225 PolarHBondContact O-NH1 3.32Å; I183-Y338 VanDerWaalsContact CD1-CB 3.47Å; I183-Y338 HydrophobicContact CD1-CD1 4.29Å; I183-Y338 HydrophobicContact CD1-CD2 3.99Å; I183-Y338 HydrophobicContact CD1-CG 3.67Å |
| 184 | S | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 17% | 0.168 | 16% | 0.157 | C | C | . | . | trans | -59.2 | 136.5 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | D186 R187 R225 | S184-D186 PolarHBondContact O-N 3.29Å; S184-D186 PolarHBondContact OG-N 3.22Å; S184-R187 WeakPolarHBondContact O-CB 3.47Å; S184-R187 WeakPolarHBondContact O-CG 3.22Å; S184-R187 PolarHBondContact O-N 3.36Å; S184-R187 VanDerWaalsContact O-N 3.1Å; S184-R225 PolarHBondContact O-NH1 3.41Å | ||
| 185 | L | 98.8 | Very high | 98.3 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 18% | 0.183 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.8 | 172.5 | -59.7 | -180 | 0 | 0 | 0 | 111.6 | I183 S221 M224 R225 H228 Y261 | I183-L185 PolarHBondContact O-N 3.45Å; L185-S221 WeakPolarHBondContact CD2-O 3.48Å; L185-M224 HydrophobicContact CD1-CB 3.94Å; L185-M224 HydrophobicContact CD2-CB 4.12Å; L185-R225 HydrophobicContact CD2-CB 4.1Å; L185-H228 HydrophobicContact CB-CB 4.42Å; L185-H228 VanDerWaalsContact O-CB 3.32Å; L185-H228 WeakPolarHBondContact O-CB 3.48Å; L185-Y261 WeakPolarHBondContact CD1-OH 3.46Å |
| 186 | D | 98.6 | Very high | 98.3 | Very high | 64 Ų | 64 | 37 Ų | 37 | 34% | 0.342 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 20.4 | 176.8 | -67.5 | -57.8 | 0 | 0 | 0 | 112.9 | G144 S184 S188 H228 K232 | G144-D186 PolarHBondContact N-O 3.16Å; S184-D186 PolarHBondContact O-N 3.29Å; S184-D186 PolarHBondContact OG-N 3.22Å; D186-S188 PolarHBondContact O-N 2.94Å; D186-H228 IonicContact OD1-CE1 3.19Å; D186-H228 IonicContact OD1-CG 2.83Å; D186-H228 IonicContact OD1-ND1 3.69Å; D186-H228 PolarHBondContact OD1-ND1 3.22Å; D186-H228 IonicContact OD2-CE1 2.73Å; D186-H228 IonicContact OD2-ND1 3.45Å; D186-H228 PolarHBondContact OD2-ND1 3.15Å; D186-K232 PolarHBondContact O-NZ 3.44Å |
| 187 | R | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | trans | -54.9 | 143.2 | -176.5 | 66.7 | 150.3 | 172.9 | -173.1 | 6.5 | 112.3 | G150 I183 S184 R233 E305 Y338 | G150-R187 VanDerWaalsContact O-CD 3.22Å; G150-R187 WeakPolarHBondContact O-CD 3.28Å; G150-R187 PolarHBondContact O-NH1 2.95Å; I183-R187 HydrophobicContact CG2-CB 4.07Å; I183-R187 VanDerWaalsContact CG2-CD 3.46Å; I183-R187 HydrophobicContact CG2-CG 3.89Å; S184-R187 WeakPolarHBondContact O-CB 3.47Å; S184-R187 WeakPolarHBondContact O-CG 3.22Å; S184-R187 PolarHBondContact O-N 3.36Å; S184-R187 VanDerWaalsContact O-N 3.1Å; R187-R233 PolarHBondContact O-NH2 2.97Å; R187-E305 IonicContact CZ-OE1 3.17Å; R187-E305 IonicContact CZ-OE2 3.47Å; R187-E305 IonicContact NE-OE1 3.49Å; R187-E305 PolarHBondContact NE-OE1 2.78Å; R187-E305 IonicContact NE-OE2 3.66Å; R187-E305 PolarHBondContact NE-OE2 2.82Å; R187-E305 VanDerWaalsContact NH2-CD 3.33Å; R187-E305 IonicContact NH2-OE1 2.79Å; R187-E305 PolarHBondContact NH2-OE1 3Å; R187-E305 IonicContact NH2-OE2 2.87Å; R187-E305 PolarHBondContact NH2-OE2 2.98Å; R187-Y338 PolarHBondContact NH1-O 2.04Å; R187-Y338 PolarHBondContact NH2-O 3.26Å | ||
| 188 | S | 98.4 | Very high | 98.4 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.028 | 20% | 0.197 | C | C | . | . | trans | -69.7 | 152.6 | 163.9 | 61 | 0 | 0 | 0 | 0 | 110.5 | E141 E151 K152 A153 D186 | E141-S188 WeakPolarHBondContact OE1-CA 3.21Å; E151-S188 WeakPolarHBondContact OE2-CB 3.46Å; E151-S188 PolarHBondContact OE2-N 3.4Å; E151-S188 PolarHBondContact OE2-OG 2.59Å; K152-S188 WeakPolarHBondContact CA-O 3.44Å; K152-S188 WeakPolarHBondContact CG-OG 3.32Å; K152-S188 PolarHBondContact N-O 2.83Å; K152-S188 PolarHBondContact N-OG 2.85Å; A153-S188 PolarHBondContact N-O 3.17Å; D186-S188 PolarHBondContact O-N 2.94Å | ||
| 189 | V | 98.5 | Very high | 98.4 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 15% | 0.145 | 20% | 0.2 | C | C | . | . | trans | -123.1 | 164.5 | -179.7 | -62.7 | 0 | 0 | 0 | 0 | 110.7 | I340 | V189-I340 HydrophobicContact CB-CD1 4.13Å; V189-I340 HydrophobicContact CG1-CD1 3.9Å | ||
| 190 | N | 98.1 | Very high | 98.4 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 27% | 0.273 | 20% | 0.204 | S | C | . | . | trans | -73.7 | 159 | 170.2 | 59.6 | -28.6 | 0 | 0 | 0 | 111.1 | A153 L192 I340 | A153-N190 HydrophobicContact CB-CB 4.13Å; A153-N190 WeakPolarHBondContact CB-OD1 3.16Å; N190-L192 WeakPolarHBondContact ND2-CD2 3.39Å; N190-I340 PolarHBondContact ND2-O 2.88Å; N190-I340 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 191 | D | 98.4 | Very high | 98.4 | Very high | 67 Ų | 67 | 42.6 Ų | 42.6 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | trans | -101.7 | 111 | 174.6 | -166.8 | 1 | 0 | 0 | 0 | 109.9 | R193 K198 | D191-R193 VanDerWaalsContact OD1-CB 3.3Å; D191-R193 WeakPolarHBondContact OD1-CB 3.11Å; D191-R193 WeakPolarHBondContact OD1-CG 3.45Å; D191-R193 IonicContact OD1-CZ 2.7Å; D191-R193 PolarHBondContact OD1-N 2.87Å; D191-R193 VanDerWaalsContact OD1-N 3.11Å; D191-R193 IonicContact OD1-NE 2.76Å; D191-R193 PolarHBondContact OD1-NE 3.48Å; D191-R193 IonicContact OD1-NH2 3.91Å; D191-R193 IonicContact OD2-CZ 3.81Å; D191-R193 IonicContact OD2-NE 3.24Å; D191-R193 PolarHBondContact OD2-NE 2.87Å; D191-R193 IonicContact OD2-NH2 3.35Å; D191-R193 PolarHBondContact OD2-NH2 2.95Å; D191-K198 WeakPolarHBondContact OD2-CE 3.23Å; D191-K198 IonicContact OD2-NZ 3.41Å | ||
| 192 | L | 98.1 | Very high | 98.4 | Very high | 44 Ų | 44 | 38.3 Ų | 38.3 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | trans | -98 | 2.9 | 178.2 | -64.7 | 179.1 | 0 | 0 | 0 | 112.7 | N190 D331 I340 | N190-L192 WeakPolarHBondContact ND2-CD2 3.39Å; L192-D331 HydrophobicContact CD1-CB 4.04Å; L192-D331 WeakPolarHBondContact CD1-OD2 3.46Å; L192-I340 HydrophobicContact CD1-CB 4.5Å; L192-I340 HydrophobicContact CD1-CG2 3.87Å | ||
| 193 | R | 98 | Very high | 98.4 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 6% | 0.057 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -71.1 | 150.2 | 176.5 | -61.9 | 173.4 | -61.8 | 156.5 | 4.4 | 110.1 | E136 D191 C197 V308 C435 R437 | E136-R193 IonicContact OE1-CZ 3.59Å; E136-R193 IonicContact OE1-NH2 2.77Å; E136-R193 PolarHBondContact OE1-NH2 3.4Å; E136-R193 IonicContact OE2-CZ 2.73Å; E136-R193 IonicContact OE2-NH1 2.94Å; E136-R193 PolarHBondContact OE2-NH1 3.04Å; E136-R193 IonicContact OE2-NH2 3.44Å; E136-R193 PolarHBondContact OE2-NH2 2.85Å; E136-R193 VanDerWaalsContact OE2-NH2 3.17Å; D191-R193 VanDerWaalsContact OD1-CB 3.3Å; D191-R193 WeakPolarHBondContact OD1-CB 3.11Å; D191-R193 WeakPolarHBondContact OD1-CG 3.45Å; D191-R193 IonicContact OD1-CZ 2.7Å; D191-R193 PolarHBondContact OD1-N 2.87Å; D191-R193 VanDerWaalsContact OD1-N 3.11Å; D191-R193 IonicContact OD1-NE 2.76Å; D191-R193 PolarHBondContact OD1-NE 3.48Å; D191-R193 IonicContact OD1-NH2 3.91Å; D191-R193 IonicContact OD2-CZ 3.81Å; D191-R193 IonicContact OD2-NE 3.24Å; D191-R193 PolarHBondContact OD2-NE 2.87Å; D191-R193 IonicContact OD2-NH2 3.35Å; D191-R193 PolarHBondContact OD2-NH2 2.95Å; R193-C197 HydrophobicContact CB-CB 4.03Å; R193-V308 PolarHBondContact NH1-O 2.77Å; R193-C435 WeakPolarHBondContact CD-O 3.43Å; R193-R437 HydrophobicContact CG-CG 4Å |
| 194 | Q | 97.3 | Very high | 98.3 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 30% | 0.304 | 21% | 0.205 | S | C | . | . | trans | -65.1 | 147.2 | 167.2 | -65.1 | -71.3 | -26.2 | 0 | 0 | 109.5 | E196 C197 T379 | Q194-E196 PolarHBondContact O-N 2.87Å; Q194-C197 WeakPolarHBondContact O-CB 3.49Å; Q194-C197 PolarHBondContact O-N 2.91Å; Q194-T379 HydrophobicContact CB-CG2 3.81Å; Q194-T379 HydrophobicContact CG-CG2 4.37Å | ||
| 195 | E | 97.8 | Very high | 98.3 | Very high | 96 Ų | 96 | 44.2 Ų | 44.2 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -59.2 | -35.4 | -175 | -168.7 | 62.1 | -161.1 | 0 | 0 | 112.8 | C197 K198 Y199 | E195-C197 PolarHBondContact O-N 3.41Å; E195-C197 VanDerWaalsContact O-N 3.08Å; E195-K198 WeakPolarHBondContact O-CB 3.48Å; E195-K198 PolarHBondContact O-N 3.35Å; E195-K198 WeakPolarHBondContact OE1-CD 3.3Å; E195-K198 IonicContact OE1-NZ 2.74Å; E195-K198 PolarHBondContact OE1-NZ 3.34Å; E195-K198 WeakPolarHBondContact OE2-CE 3.33Å; E195-K198 IonicContact OE2-NZ 2.65Å; E195-K198 PolarHBondContact OE2-NZ 3.05Å; E195-Y199 HydrophobicContact CG-CE2 4.15Å; E195-Y199 PolarHBondContact OE1-OH 3.14Å |
| 196 | E | 97.9 | Very high | 98.3 | Very high | 56 Ų | 56 | 43 Ų | 43 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -55 | -28.7 | 175.8 | -170.9 | -177.7 | -112.5 | 0 | 0 | 112.6 | L127 Q194 K198 Y199 K378 T379 | L127-E196 HydrophobicContact CD1-CG 3.64Å; L127-E196 HydrophobicContact CD2-CG 3.68Å; L127-E196 WeakPolarHBondContact CD2-OE1 3.14Å; L127-E196 HydrophobicContact CG-CG 4.31Å; Q194-E196 PolarHBondContact O-N 2.87Å; E196-K198 PolarHBondContact O-N 2.59Å; E196-K198 VanDerWaalsContact O-N 3.16Å; E196-Y199 PolarHBondContact O-N 2.96Å; E196-Y199 VanDerWaalsContact O-N 3.11Å; E196-K378 WeakPolarHBondContact OE2-CB 3.45Å; E196-K378 PolarHBondContact OE2-N 2.02Å; E196-T379 HydrophobicContact CB-CG2 3.92Å; E196-T379 HydrophobicContact CG-CG2 4.37Å; E196-T379 WeakPolarHBondContact CG-OG1 3.5Å; E196-T379 WeakPolarHBondContact OE2-CB 3.13Å; E196-T379 WeakPolarHBondContact OE2-CG2 3.04Å; E196-T379 PolarHBondContact OE2-N 3.14Å; E196-T379 PolarHBondContact OE2-OG1 3.32Å |
| 197 | C | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -61 | -25.5 | 178.1 | -75.6 | 0 | 0 | 0 | 0 | 114 | R193 Q194 E195 Y199 C435 | R193-C197 HydrophobicContact CB-CB 4.03Å; Q194-C197 WeakPolarHBondContact O-CB 3.49Å; Q194-C197 PolarHBondContact O-N 2.91Å; E195-C197 PolarHBondContact O-N 3.41Å; E195-C197 VanDerWaalsContact O-N 3.08Å; C197-Y199 PolarHBondContact O-N 3.41Å; C197-C435 WeakPolarHBondContact CA-SG 3.21Å; C197-C435 HydrophobicContact CB-CB 3.68Å; C197-C435 WeakPolarHBondContact CB-SG 3.4Å; C197-C435 WeakPolarHBondContact SG-CA 3.14Å; C197-C435 WeakPolarHBondContact SG-CB 3.15Å; C197-C435 CovalentContact SG-SG 2.05Å; C197-C435 PolarHBondContact SG-SG 3.46Å |
| 198 | K | 98.4 | Very high | 98.3 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 18% | 0.183 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -78.9 | -8.1 | -179.4 | -59.7 | 179 | -174 | 161.6 | 0 | 113.2 | L132 G133 E136 D191 E195 E196 | L132-K198 HydrophobicContact CD1-CB 4.36Å; G133-K198 PolarHBondContact N-O 3.05Å; E136-K198 HydrophobicContact CG-CB 4.5Å; D191-K198 WeakPolarHBondContact OD2-CE 3.23Å; D191-K198 IonicContact OD2-NZ 3.41Å; E195-K198 WeakPolarHBondContact O-CB 3.48Å; E195-K198 PolarHBondContact O-N 3.35Å; E195-K198 WeakPolarHBondContact OE1-CD 3.3Å; E195-K198 IonicContact OE1-NZ 2.74Å; E195-K198 PolarHBondContact OE1-NZ 3.34Å; E195-K198 WeakPolarHBondContact OE2-CE 3.33Å; E195-K198 IonicContact OE2-NZ 2.65Å; E195-K198 PolarHBondContact OE2-NZ 3.05Å; E196-K198 PolarHBondContact O-N 2.59Å; E196-K198 VanDerWaalsContact O-N 3.16Å |
| 199 | Y | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 41.9 Ų | 41.9 | 22% | 0.22 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -109.4 | 8.2 | -174.8 | -53.5 | -41.9 | 0 | 0 | 0 | 113.7 | R128 E195 E196 C197 H201 | R128-Y199 PolarHBondContact N-O 3.21Å; E195-Y199 HydrophobicContact CG-CE2 4.15Å; E195-Y199 PolarHBondContact OE1-OH 3.14Å; E196-Y199 PolarHBondContact O-N 2.96Å; E196-Y199 VanDerWaalsContact O-N 3.11Å; C197-Y199 PolarHBondContact O-N 3.41Å; Y199-H201 PolarHBondContact O-CD2 3.01Å |
| 200 | W | 98.7 | Very high | 98.3 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 130.3 | 174.1 | -74 | 96.2 | 0 | 0 | 0 | 111.4 | P125 L127 G133 Y202 T377 T379 E380 | P125-W200 HydrophobicContact CB-CE3 3.85Å; P125-W200 HydrophobicContact CB-CZ3 4.4Å; P125-W200 HydrophobicContact CG-CE3 3.96Å; P125-W200 HydrophobicContact CG-CZ3 4.16Å; P125-W200 WeakPolarHBondContact O-CZ3 3.31Å; L127-W200 HydrophobicContact CB-CD2 4.06Å; L127-W200 HydrophobicContact CB-CE3 3.88Å; L127-W200 HydrophobicContact CB-CH2 3.89Å; L127-W200 HydrophobicContact CB-CZ2 4.03Å; L127-W200 HydrophobicContact CB-CZ3 3.8Å; L127-W200 HydrophobicContact CD1-CD2 4.08Å; L127-W200 HydrophobicContact CD1-CG 4.19Å; L127-W200 HydrophobicContact CD1-CZ2 4.42Å; L127-W200 HydrophobicContact CD2-CZ2 4.38Å; G133-W200 VanDerWaalsContact CA-O 3.27Å; G133-W200 WeakPolarHBondContact CA-O 3.27Å; W200-Y202 HydrophobicContact CB-CD2 4.25Å; W200-Y202 HydrophobicContact CB-CE1 4.39Å; W200-Y202 HydrophobicContact CB-CE2 3.42Å; W200-Y202 VanDerWaalsContact CB-CE2 3.42Å; W200-Y202 VanDerWaalsContact CB-CZ 3.5Å; W200-Y202 WeakPolarHBondContact CB-OH 3.43Å; W200-T377 HydrophobicContact CH2-CG2 3.99Å; W200-T377 HydrophobicContact CZ2-CG2 4.15Å; W200-T377 WeakPolarHBondContact CZ2-OG1 3.18Å; W200-T379 PolarHBondContact NE1-OG1 3Å; W200-E380 HydrophobicContact CH2-CB 4.41Å; W200-E380 HydrophobicContact CZ2-CB 4.39Å |
| 201 | H | 98.7 | Very high | 98.4 | Very high | 36 Ų | 36 | 38.3 Ų | 38.3 | 17% | 0.167 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.2 | 172.6 | -69.1 | -102.6 | 0 | 0 | 0 | 108.9 | P125 V126 I131 L132 N134 Y199 | P125-H201 CarbonylContact C-O 3.51Å; P125-H201 WeakPolarHBondContact CA-O 3.38Å; P125-H201 WeakPolarHBondContact CB-O 3.42Å; V126-H201 PolarHBondContact N-O 3.13Å; V126-H201 PolarHBondContact O-N 3.19Å; I131-H201 PolarHBondContact O-NE2 3.28Å; I131-H201 VanDerWaalsContact O-NE2 3.13Å; L132-H201 PolarHBondContact O-CE1 3.26Å; L132-H201 PolarHBondContact O-NE2 2.84Å; N134-H201 VanDerWaalsContact OD1-CA 3.26Å; N134-H201 WeakPolarHBondContact OD1-CA 3.5Å; Y199-H201 PolarHBondContact O-CD2 3.01Å |
| 202 | Y | 98.6 | Very high | 98.4 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 6% | 0.055 | 17% | 0.168 | C | C | . | . | trans | -97.7 | 143.8 | -178.7 | -57.6 | -93.2 | 0 | 0 | 0 | 109.8 | P125 N134 F135 W200 E204 A312 P313 A316 | P125-Y202 HydrophobicContact CB-CD1 3.52Å; P125-Y202 HydrophobicContact CB-CE1 3.8Å; P125-Y202 HydrophobicContact CB-CG 4.08Å; P125-Y202 HydrophobicContact CG-CD1 3.98Å; P125-Y202 HydrophobicContact CG-CE1 3.94Å; N134-Y202 PolarHBondContact ND2-O 3.42Å; N134-Y202 PolarHBondContact OD1-N 2.99Å; F135-Y202 HydrophobicContact CD2-CD2 4.05Å; F135-Y202 HydrophobicContact CD2-CG 4.41Å; W200-Y202 HydrophobicContact CB-CD2 4.25Å; W200-Y202 HydrophobicContact CB-CE1 4.39Å; W200-Y202 HydrophobicContact CB-CE2 3.42Å; W200-Y202 VanDerWaalsContact CB-CE2 3.42Å; W200-Y202 VanDerWaalsContact CB-CZ 3.5Å; W200-Y202 WeakPolarHBondContact CB-OH 3.43Å; Y202-E204 PolarHBondContact O-N 2.76Å; Y202-A312 HydrophobicContact CD1-CB 4.26Å; Y202-A312 HydrophobicContact CD2-CB 4.02Å; Y202-A312 HydrophobicContact CE2-CB 4.4Å; Y202-A312 HydrophobicContact CG-CB 3.96Å; Y202-P313 HydrophobicContact CE1-CB 4.16Å; Y202-P313 WeakPolarHBondContact OH-CB 3.3Å; Y202-A316 HydrophobicContact CD1-CB 3.97Å; Y202-A316 HydrophobicContact CE1-CB 4.41Å | ||
| 203 | D | 98 | Very high | 98.4 | Very high | 56 Ų | 56 | 33 Ų | 33 | 30% | 0.299 | 16% | 0.157 | S | C | . | . | trans | -62.4 | 135 | 165.1 | -168.6 | -27 | 0 | 0 | 0 | 108.5 | Y122 N205 | Y122-D203 HydrophobicContact CD2-CB 4.24Å; Y122-D203 HydrophobicContact CE2-CB 3.67Å; Y122-D203 WeakPolarHBondContact CE2-O 3.46Å; Y122-D203 PolarHBondContact OH-N 3.28Å; Y122-D203 PolarHBondContact OH-O 3.46Å; Y122-D203 VanDerWaalsContact OH-O 3.11Å; D203-N205 PolarHBondContact O-N 3.49Å; D203-N205 WeakPolarHBondContact OD1-CB 3.34Å; D203-N205 PolarHBondContact OD1-N 2.94Å | ||
| 204 | E | 97.8 | Very high | 98.5 | Very high | 103 Ų | 103 | 32.9 Ų | 32.9 | 48% | 0.481 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -77.7 | -4.5 | -180 | -69 | -168.7 | -145.3 | 0 | 0 | 112.8 | F135 Y202 L206 K237 Y238 | F135-E204 HydrophobicContact CE2-CG 4Å; F135-E204 HydrophobicContact CZ-CG 4.14Å; Y202-E204 PolarHBondContact O-N 2.76Å; E204-L206 PolarHBondContact O-N 3.41Å; E204-K237 IonicContact OE2-NZ 2.72Å; E204-K237 PolarHBondContact OE2-NZ 2.76Å; E204-Y238 WeakPolarHBondContact O-CE1 3.43Å; E204-Y238 PolarHBondContact O-OH 3.44Å |
| 205 | N | 97.9 | Very high | 98.5 | Very high | 76 Ų | 76 | 29.9 Ų | 29.9 | 41% | 0.406 | 14% | 0.144 | S | C | . | . | trans | -75.4 | 47.2 | 173.3 | -163.5 | 32.9 | 0 | 0 | 0 | 112.1 | F120 T121 Y122 D203 | F120-N205 WeakPolarHBondContact CE1-O 3.2Å; F120-N205 HydrophobicContact CZ-CB 4.41Å; F120-N205 VanDerWaalsContact CZ-CG 3.42Å; F120-N205 VanDerWaalsContact CZ-ND2 3.25Å; F120-N205 WeakPolarHBondContact CZ-ND2 3.1Å; F120-N205 WeakPolarHBondContact CZ-O 3.31Å; F120-N205 WeakPolarHBondContact CZ-OD1 3.43Å; T121-N205 PolarHBondContact O-ND2 2.84Å; Y122-N205 HydrophobicContact CD2-CB 4.36Å; Y122-N205 WeakPolarHBondContact CD2-O 3.37Å; Y122-N205 WeakPolarHBondContact CE2-O 3.37Å; D203-N205 PolarHBondContact O-N 3.49Å; D203-N205 WeakPolarHBondContact OD1-CB 3.34Å; D203-N205 PolarHBondContact OD1-N 2.94Å | ||
| 206 | L | 98.6 | Very high | 98.5 | Very high | 9 Ų | 9 | 26.8 Ų | 26.8 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 146.9 | 177.3 | -67.9 | 166.4 | 0 | 0 | 0 | 111 | Y122 F135 E204 Y238 Y311 A312 A316 | Y122-L206 HydrophobicContact CE2-CD2 3.73Å; Y122-L206 HydrophobicContact CE2-CG 4.18Å; Y122-L206 VanDerWaalsContact OH-CD2 3.28Å; Y122-L206 WeakPolarHBondContact OH-CD2 3.3Å; F135-L206 HydrophobicContact CE1-CD1 3.88Å; F135-L206 HydrophobicContact CE2-CD1 4.49Å; F135-L206 HydrophobicContact CZ-CD1 3.61Å; E204-L206 PolarHBondContact O-N 3.41Å; L206-Y238 HydrophobicContact CB-CD1 3.98Å; L206-Y238 HydrophobicContact CB-CE1 3.76Å; L206-Y238 HydrophobicContact CD1-CE1 4.45Å; L206-Y238 HydrophobicContact CD1-CE2 4.3Å; L206-Y311 HydrophobicContact CB-CE1 4.43Å; L206-Y311 HydrophobicContact CD1-CD1 4.25Å; L206-Y311 HydrophobicContact CD1-CE1 4.25Å; L206-A312 HydrophobicContact CD1-CB 3.82Å; L206-A316 HydrophobicContact CD2-CB 3.96Å |
| 207 | L | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 24.8 Ų | 24.8 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 147.8 | 168.5 | -63.8 | 170.4 | 0 | 0 | 0 | 110.7 | F120 Q295 V296 Y311 V315 I318 S319 | F120-L207 HydrophobicContact CD1-CD2 4.3Å; F120-L207 HydrophobicContact CD2-CD2 4.12Å; F120-L207 HydrophobicContact CE1-CD2 4.3Å; F120-L207 HydrophobicContact CE2-CD2 4.14Å; F120-L207 HydrophobicContact CG-CD2 4.18Å; F120-L207 HydrophobicContact CZ-CD2 4.2Å; L207-Q295 HydrophobicContact CB-CB 4.23Å; L207-Q295 HydrophobicContact CD2-CB 4.18Å; L207-Q295 VanDerWaalsContact CD2-NE2 3.34Å; L207-V296 HydrophobicContact CB-CG2 3.76Å; L207-V296 HydrophobicContact CD1-CG2 3.67Å; L207-V296 HydrophobicContact CG-CG2 4.37Å; L207-Y311 PolarHBondContact O-OH 3.46Å; L207-V315 HydrophobicContact CB-CG1 4Å; L207-I318 HydrophobicContact CD1-CG2 4.18Å; L207-S319 PolarHBondContact N-OG 3.23Å |
| 208 | T | 98.9 | Very high | 98.5 | Very high | 37 Ų | 37 | 25.2 Ų | 25.2 | 23% | 0.227 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 153.9 | 171 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | Y238 Q295 V296 | T208-Y238 CarbonylContact C-O 3.49Å; T208-Y238 WeakPolarHBondContact CA-O 3.39Å; T208-Q295 PolarHBondContact O-N 3.42Å; T208-Q295 PolarHBondContact OG1-OE1 2.74Å; T208-V296 PolarHBondContact O-N 2.96Å |
| 209 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.2 | -177.1 | -59.1 | 0 | 0 | 0 | 0 | 114 | Y238 A240 V296 I298 Y311 | S209-Y238 PolarHBondContact N-O 3.48Å; S209-A240 WeakPolarHBondContact O-CB 3.38Å; S209-A240 PolarHBondContact O-N 3.47Å; S209-V296 CarbonylContact C-O 3.54Å; S209-V296 WeakPolarHBondContact CA-O 3.16Å; S209-I298 WeakPolarHBondContact OG-CD1 3.46Å; S209-Y311 WeakPolarHBondContact CB-OH 3.48Å; S209-Y311 PolarHBondContact N-OH 3.26Å; S209-Y311 WeakPolarHBondContact OG-CE2 3.5Å; S209-Y311 PolarHBondContact OG-OH 2.84Å |
| 210 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.6 | 161.8 | -67.2 | 0 | 0 | 0 | 0 | 108.6 | E241 G294 V296 I298 | S210-E241 WeakPolarHBondContact CA-O 3.38Å; S210-E241 WeakPolarHBondContact OG-CG 3.3Å; S210-E241 PolarHBondContact OG-OE1 3.34Å; S210-E241 VanDerWaalsContact OG-OE1 3.11Å; S210-G294 WeakPolarHBondContact OG-CA 3.26Å; S210-G294 PolarHBondContact OG-N 3.19Å; S210-V296 PolarHBondContact N-O 3.24Å; S210-I298 PolarHBondContact O-N 3.39Å |
| 211 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 117.2 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | I213 V230 L239 E241 I242 V243 I298 L300 | V211-I213 HydrophobicContact CG1-CD1 4.44Å; V211-I213 HydrophobicContact CG1-CG1 4.28Å; V211-V230 HydrophobicContact CB-CG1 4.38Å; V211-V230 HydrophobicContact CG1-CG1 4.39Å; V211-V230 HydrophobicContact CG1-CG2 4.38Å; V211-V230 HydrophobicContact CG2-CG1 3.93Å; V211-L239 HydrophobicContact CB-CD1 4.5Å; V211-L239 HydrophobicContact CG2-CD1 3.64Å; V211-E241 PolarHBondContact N-O 2.73Å; V211-I242 HydrophobicContact CB-CG1 4.39Å; V211-I242 CarbonylContact O-C 3.5Å; V211-I242 WeakPolarHBondContact O-CA 3.39Å; V211-V243 PolarHBondContact O-N 2.82Å; V211-I298 CarbonylContact C-O 3.56Å; V211-I298 VanDerWaalsContact CA-O 3.28Å; V211-I298 WeakPolarHBondContact CA-O 3.35Å; V211-I298 HydrophobicContact CG2-CB 4.26Å; V211-L300 HydrophobicContact CG1-CD1 3.72Å; V211-L300 HydrophobicContact CG1-CG 4.08Å |
| 212 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.6 | -178.8 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | V243 I245 A291 L297 I298 Y299 L300 | V212-V243 WeakPolarHBondContact CA-O 3.16Å; V212-V243 HydrophobicContact CG2-CB 4.42Å; V212-I245 HydrophobicContact CG1-CG1 4.17Å; V212-A291 HydrophobicContact CG2-CB 3.89Å; V212-L297 HydrophobicContact CG2-CD2 4.26Å; V212-I298 PolarHBondContact N-O 3.03Å; V212-Y299 HydrophobicContact CB-CD1 3.92Å; V212-Y299 HydrophobicContact CB-CE1 3.78Å; V212-Y299 HydrophobicContact CG1-CD1 4.04Å; V212-Y299 HydrophobicContact CG1-CE1 3.63Å; V212-Y299 HydrophobicContact CG2-CE1 4.43Å; V212-Y299 WeakPolarHBondContact O-CA 3.21Å; V212-L300 PolarHBondContact O-N 3.27Å; V212-L300 VanDerWaalsContact O-N 3.09Å |
| 213 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 109.8 | 178.9 | -60.7 | 165.9 | 0 | 0 | 0 | 108.3 | V211 L223 T226 V227 I242 V243 L244 I245 L300 A302 | V211-I213 HydrophobicContact CG1-CD1 4.44Å; V211-I213 HydrophobicContact CG1-CG1 4.28Å; I213-L223 HydrophobicContact CG2-CD1 4.19Å; I213-T226 HydrophobicContact CD1-CG2 3.92Å; I213-V227 HydrophobicContact CD1-CG2 4.26Å; I213-I242 HydrophobicContact CD1-CG2 4.03Å; I213-V243 PolarHBondContact N-O 3.34Å; I213-L244 HydrophobicContact CB-CD2 3.8Å; I213-L244 HydrophobicContact CD1-CD2 3.93Å; I213-L244 HydrophobicContact CG1-CD2 4.36Å; I213-L244 HydrophobicContact CG2-CD2 4.34Å; I213-L244 CarbonylContact O-C 3.54Å; I213-L244 WeakPolarHBondContact O-CA 3.3Å; I213-I245 PolarHBondContact O-N 3.17Å; I213-L300 WeakPolarHBondContact CA-O 3.49Å; I213-L300 HydrophobicContact CG1-CB 4.12Å; I213-A302 HydrophobicContact CG2-CB 3.72Å |
| 214 | V | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 16.6 Ų | 16.6 | 7% | 0.067 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 135 | 172.5 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | I245 D247 L280 A283 R284 | V214-I245 HydrophobicContact CG2-CB 4.14Å; V214-D247 HydrophobicContact CG1-CB 4.35Å; V214-L280 HydrophobicContact CB-CD1 4.16Å; V214-L280 HydrophobicContact CG1-CD1 4.01Å; V214-A283 HydrophobicContact CG1-CB 3.56Å; V214-A283 HydrophobicContact CG2-CB 4.09Å; V214-R284 HydrophobicContact CG2-CB 4.39Å; V214-R284 HydrophobicContact CG2-CG 3.65Å |
| 215 | F | 98.6 | Very high | 98.6 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 1% | 0.013 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 150.6 | 177.3 | 72.6 | -86.7 | 0 | 0 | 0 | 112.1 | E218 L223 L244 I245 D246 D247 L254 L258 V271 A302 | F215-E218 HydrophobicContact CB-CB 4.1Å; F215-L223 HydrophobicContact CB-CD1 4.11Å; F215-L223 HydrophobicContact CD1-CD1 4.28Å; F215-L223 HydrophobicContact CD1-CD2 4.49Å; F215-L223 HydrophobicContact CD2-CD2 4.19Å; F215-L223 HydrophobicContact CE2-CD2 4.36Å; F215-L223 HydrophobicContact CG-CD1 4.19Å; F215-L223 HydrophobicContact CG-CD2 4.25Å; F215-L244 HydrophobicContact CD1-CB 4.31Å; F215-L244 HydrophobicContact CE1-CB 3.86Å; F215-I245 WeakPolarHBondContact CD1-O 3.47Å; F215-I245 PolarHBondContact N-O 2.98Å; F215-D246 HydrophobicContact CE1-CB 3.82Å; F215-D246 HydrophobicContact CE2-CB 3.83Å; F215-D246 HydrophobicContact CZ-CB 3.35Å; F215-D247 PolarHBondContact O-N 3.12Å; F215-L254 HydrophobicContact CD2-CD1 4.01Å; F215-L254 HydrophobicContact CD2-CD2 4.26Å; F215-L254 HydrophobicContact CE2-CB 4.04Å; F215-L254 HydrophobicContact CE2-CD1 3.93Å; F215-L254 HydrophobicContact CE2-CD2 3.96Å; F215-L254 HydrophobicContact CE2-CG 4.18Å; F215-L258 HydrophobicContact CE1-CD2 4.37Å; F215-L258 HydrophobicContact CE2-CD2 4.33Å; F215-L258 HydrophobicContact CZ-CD2 3.67Å; F215-V271 HydrophobicContact CE1-CG2 4.22Å; F215-V271 HydrophobicContact CZ-CG2 4.24Å; F215-A302 HydrophobicContact CB-CB 3.66Å |
| 216 | H | 97.6 | Very high | 98.6 | Very high | 30 Ų | 30 | 8.3 Ų | 8.3 | 14% | 0.139 | 4% | 0.042 | C | C | . | . | S | Bend | trans | -147.2 | 115 | 171.9 | 178.2 | 84.9 | 0 | 0 | 0 | 109.2 | E218 D247 F248 S249 | H216-E218 PolarHBondContact O-N 3.27Å; H216-E218 VanDerWaalsContact O-N 3.14Å; H216-D247 HydrophobicContact CB-CB 4.42Å; H216-D247 PolarHBondContact ND1-O 3.32Å; H216-F248 PolarHBondContact CE1-O 2.87Å; H216-F248 PolarHBondContact ND1-O 3.38Å; H216-S249 WeakPolarHBondContact CA-OG 3.43Å |
| 217 | N | 97.3 | Very high | 98.6 | Very high | 15 Ų | 15 | 7.9 Ų | 7.9 | 8% | 0.08 | 4% | 0.04 | C | C | . | . | S | Bend | trans | 53.3 | 30.2 | -178.2 | -65.8 | -18.4 | 0 | 0 | 0 | 114.2 | S249 N250 K251 | N217-S249 PolarHBondContact N-OG 2.77Å; N217-S249 VanDerWaalsContact OD1-CA 3.3Å; N217-S249 WeakPolarHBondContact OD1-CA 3.29Å; N217-S249 WeakPolarHBondContact OD1-CB 3.37Å; N217-N250 PolarHBondContact ND2-ND2 3.36Å; N217-N250 PolarHBondContact ND2-OD1 3.12Å; N217-N250 PolarHBondContact OD1-N 3.3Å; N217-N250 PolarHBondContact OD1-OD1 3.5Å; N217-N250 VanDerWaalsContact OD1-OD1 3.06Å; N217-K251 HydrophobicContact CB-CG 3.91Å; N217-K251 PolarHBondContact OD1-N 3.01Å |
| 218 | E | 98.3 | Very high | 98.7 | Very high | 9 Ų | 9 | 8 Ų | 8 | 4% | 0.042 | 4% | 0.04 | C | C | . | . | trans | -67.1 | 146.4 | 179.7 | -167.4 | 61 | -111.9 | 0 | 0 | 111.5 | F175 F215 H216 T222 L223 H253 A302 H303 | F175-E218 WeakPolarHBondContact CE2-OE1 3.49Å; F215-E218 HydrophobicContact CB-CB 4.1Å; H216-E218 PolarHBondContact O-N 3.27Å; H216-E218 VanDerWaalsContact O-N 3.14Å; E218-T222 PolarHBondContact OE1-OG1 2.81Å; E218-L223 HydrophobicContact CB-CB 4.32Å; E218-L223 HydrophobicContact CG-CB 3.87Å; E218-H253 PolarHBondContact O-CE1 2.86Å; E218-A302 HydrophobicContact CB-CB 4.33Å; E218-A302 HydrophobicContact CG-CB 3.73Å; E218-H303 VanDerWaalsContact CD-ND1 3.29Å; E218-H303 IonicContact OE1-ND1 2.93Å; E218-H303 PolarHBondContact OE1-ND1 3.26Å; E218-H303 IonicContact OE2-CE1 2.71Å; E218-H303 PolarHBondContact OE2-CE1 3.38Å; E218-H303 IonicContact OE2-CG 2.82Å; E218-H303 IonicContact OE2-ND1 2.7Å; E218-H303 PolarHBondContact OE2-ND1 3.44Å | ||
| 219 | G | 98 | Very high | 98.7 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.03 | C | C | . | . | trans | -60.1 | 142.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M177 S221 T222 L223 | M177-G219 VanDerWaalsContact CE-CA 3.5Å; G219-S221 PolarHBondContact O-N 2.86Å; G219-T222 PolarHBondContact O-N 2.6Å; G219-T222 PolarHBondContact O-OG1 2.87Å; G219-L223 WeakPolarHBondContact O-CB 3.41Å; G219-L223 PolarHBondContact O-N 3.19Å | ||
| 220 | W | 98.8 | Very high | 98.7 | Very high | 40 Ų | 40 | 6.4 Ų | 6.4 | 15% | 0.152 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -57.1 | -52 | -177.7 | 174.2 | -89.3 | 0 | 0 | 0 | 112.4 | T222 M224 H253 K257 L258 Y261 | W220-T222 PolarHBondContact O-N 3.11Å; W220-M224 HydrophobicContact CD2-CG 4.16Å; W220-M224 HydrophobicContact CZ2-CG 3.99Å; W220-M224 HydrophobicContact CZ2-SD 4.45Å; W220-M224 WeakPolarHBondContact O-CB 3.23Å; W220-M224 WeakPolarHBondContact O-CG 3.43Å; W220-M224 PolarHBondContact O-N 2.75Å; W220-H253 HydrophobicContact CE3-CB 4.21Å; W220-H253 VanDerWaalsContact CE3-O 3.31Å; W220-H253 WeakPolarHBondContact CZ3-O 3.43Å; W220-K257 HydrophobicContact CE3-CD 4.15Å; W220-K257 HydrophobicContact CH2-CD 4.1Å; W220-K257 HydrophobicContact CH2-CG 3.78Å; W220-K257 HydrophobicContact CZ3-CB 4.34Å; W220-K257 HydrophobicContact CZ3-CD 3.87Å; W220-K257 HydrophobicContact CZ3-CG 3.76Å; W220-L258 HydrophobicContact CZ3-CB 4.21Å; W220-L258 HydrophobicContact CZ3-CD1 4.36Å; W220-Y261 HydrophobicContact CH2-CD1 4.17Å; W220-Y261 HydrophobicContact CH2-CD2 4.32Å; W220-Y261 AromaticContact CH2-CG 3.79Å; W220-Y261 HydrophobicContact CH2-CG 3.79Å; W220-Y261 AromaticContact CZ2-CD1 3.96Å; W220-Y261 HydrophobicContact CZ2-CD1 3.96Å; W220-Y261 AromaticContact CZ2-CD2 3.85Å; W220-Y261 HydrophobicContact CZ2-CD2 3.85Å; W220-Y261 HydrophobicContact CZ2-CE1 4.37Å; W220-Y261 HydrophobicContact CZ2-CE2 4.29Å; W220-Y261 AromaticContact CZ2-CG 3.67Å; W220-Y261 HydrophobicContact CZ2-CG 3.67Å |
| 221 | S | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 8.3 Ų | 8.3 | 3% | 0.028 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -69.6 | -33.4 | -174.8 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | M177 S180 D181 L185 G219 R225 | M177-S221 WeakPolarHBondContact CE-OG 3.39Å; S180-S221 VanDerWaalsContact CB-OG 3.26Å; S180-S221 WeakPolarHBondContact CB-OG 3.18Å; S180-S221 PolarHBondContact OG-OG 2.81Å; D181-S221 WeakPolarHBondContact OD1-CB 3.42Å; D181-S221 PolarHBondContact OD1-OG 3.39Å; L185-S221 WeakPolarHBondContact CD2-O 3.48Å; G219-S221 PolarHBondContact O-N 2.86Å; S221-R225 WeakPolarHBondContact O-CB 3.38Å; S221-R225 PolarHBondContact O-N 3.04Å |
| 222 | T | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.012 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -70.6 | -46 | 175.8 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | F175 M177 E218 G219 W220 R225 T226 A302 I441 | F175-T222 HydrophobicContact CD2-CG2 4.44Å; M177-T222 HydrophobicContact CE-CG2 4.45Å; M177-T222 HydrophobicContact SD-CG2 4.06Å; E218-T222 PolarHBondContact OE1-OG1 2.81Å; G219-T222 PolarHBondContact O-N 2.6Å; G219-T222 PolarHBondContact O-OG1 2.87Å; W220-T222 PolarHBondContact O-N 3.11Å; T222-R225 PolarHBondContact O-N 3.41Å; T222-T226 PolarHBondContact O-N 2.94Å; T222-T226 VanDerWaalsContact O-N 3.07Å; T222-T226 PolarHBondContact O-OG1 3.18Å; T222-A302 CarbonylContact C-O 3.4Å; T222-I441 HydrophobicContact CG2-CD1 3.58Å |
| 223 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.7 | -51 | 175.2 | 179.4 | 64 | 0 | 0 | 0 | 111.5 | I213 F215 E218 G219 T226 V227 L254 L258 A302 | I213-L223 HydrophobicContact CG2-CD1 4.19Å; F215-L223 HydrophobicContact CB-CD1 4.11Å; F215-L223 HydrophobicContact CD1-CD1 4.28Å; F215-L223 HydrophobicContact CD1-CD2 4.49Å; F215-L223 HydrophobicContact CD2-CD2 4.19Å; F215-L223 HydrophobicContact CE2-CD2 4.36Å; F215-L223 HydrophobicContact CG-CD1 4.19Å; F215-L223 HydrophobicContact CG-CD2 4.25Å; E218-L223 HydrophobicContact CB-CB 4.32Å; E218-L223 HydrophobicContact CG-CB 3.87Å; G219-L223 WeakPolarHBondContact O-CB 3.41Å; G219-L223 PolarHBondContact O-N 3.19Å; L223-T226 WeakPolarHBondContact O-CB 3.45Å; L223-T226 PolarHBondContact O-N 3.31Å; L223-V227 PolarHBondContact O-N 3.44Å; L223-L254 HydrophobicContact CD2-CD2 3.66Å; L223-L258 HydrophobicContact CD2-CD1 4.5Å; L223-L258 HydrophobicContact CD2-CD2 4.42Å; L223-A302 VanDerWaalsContact CA-O 3.22Å; L223-A302 WeakPolarHBondContact CA-O 3.43Å; L223-A302 HydrophobicContact CD1-CB 3.79Å; L223-A302 PolarHBondContact N-O 3.23Å |
| 224 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.5 | -36.9 | -177.8 | -66.6 | -62.8 | 95.9 | 0 | 0 | 112.4 | L185 W220 T226 V227 H228 L244 L258 Y261 | L185-M224 HydrophobicContact CD1-CB 3.94Å; L185-M224 HydrophobicContact CD2-CB 4.12Å; W220-M224 HydrophobicContact CD2-CG 4.16Å; W220-M224 HydrophobicContact CZ2-CG 3.99Å; W220-M224 HydrophobicContact CZ2-SD 4.45Å; W220-M224 WeakPolarHBondContact O-CB 3.23Å; W220-M224 WeakPolarHBondContact O-CG 3.43Å; W220-M224 PolarHBondContact O-N 2.75Å; M224-T226 PolarHBondContact O-N 2.9Å; M224-V227 HydrophobicContact CE-CG2 4.14Å; M224-V227 PolarHBondContact O-N 2.93Å; M224-V227 VanDerWaalsContact O-N 3.15Å; M224-H228 WeakPolarHBondContact O-CB 3.43Å; M224-H228 PolarHBondContact O-CD2 3.21Å; M224-H228 PolarHBondContact O-N 3.09Å; M224-L244 HydrophobicContact CE-CD1 4.48Å; M224-L258 HydrophobicContact CE-CD1 3.42Å; M224-L258 VanDerWaalsContact CE-CD1 3.42Å; M224-L258 HydrophobicContact SD-CD1 4.07Å; M224-Y261 HydrophobicContact CB-CE1 4.47Å; M224-Y261 HydrophobicContact CG-CD1 4.3Å; M224-Y261 HydrophobicContact CG-CE1 4.02Å; M224-Y261 HydrophobicContact SD-CD1 3.39Å; M224-Y261 WeakPolarHBondContact SD-CD1 3.29Å; M224-Y261 HydrophobicContact SD-CE1 3.47Å; M224-Y261 WeakPolarHBondContact SD-CE1 3.49Å |
| 225 | R | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 1% | 0.011 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.4 | -33.8 | 175.4 | -165 | -173.6 | -34.1 | -78.7 | -1.5 | 111.8 | S180 I183 S184 L185 S221 T222 S229 E305 | S180-R225 PolarHBondContact O-NH2 3.1Å; S180-R225 PolarHBondContact OG-NH2 3.49Å; I183-R225 VanDerWaalsContact C-NH1 3.31Å; I183-R225 PolarHBondContact O-NH1 3.32Å; S184-R225 PolarHBondContact O-NH1 3.41Å; L185-R225 HydrophobicContact CD2-CB 4.1Å; S221-R225 WeakPolarHBondContact O-CB 3.38Å; S221-R225 PolarHBondContact O-N 3.04Å; T222-R225 PolarHBondContact O-N 3.41Å; R225-S229 VanDerWaalsContact O-CB 3.29Å; R225-S229 WeakPolarHBondContact O-CB 3.24Å; R225-S229 PolarHBondContact O-N 3.2Å; R225-S229 PolarHBondContact O-OG 3.33Å; R225-E305 VanDerWaalsContact CD-CD 3.41Å; R225-E305 VanDerWaalsContact CD-OE1 3.24Å; R225-E305 WeakPolarHBondContact CD-OE1 3.46Å; R225-E305 HydrophobicContact CG-CG 4.16Å |
| 226 | T | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.5 | -52.9 | 170.7 | -52.1 | 0 | 0 | 0 | 0 | 111 | I213 T222 L223 M224 H228 S229 V230 A302 H303 C304 | I213-T226 HydrophobicContact CD1-CG2 3.92Å; T222-T226 PolarHBondContact O-N 2.94Å; T222-T226 VanDerWaalsContact O-N 3.07Å; T222-T226 PolarHBondContact O-OG1 3.18Å; L223-T226 WeakPolarHBondContact O-CB 3.45Å; L223-T226 PolarHBondContact O-N 3.31Å; M224-T226 PolarHBondContact O-N 2.9Å; T226-H228 PolarHBondContact O-N 3.42Å; T226-S229 PolarHBondContact O-N 3.13Å; T226-S229 PolarHBondContact O-OG 2.63Å; T226-V230 WeakPolarHBondContact O-CG2 3.34Å; T226-V230 PolarHBondContact O-N 3.17Å; T226-A302 VanDerWaalsContact OG1-C 3.3Å; T226-A302 PolarHBondContact OG1-O 3.44Å; T226-H303 PolarHBondContact OG1-N 3.07Å; T226-C304 WeakPolarHBondContact CA-O 3.45Å; T226-C304 WeakPolarHBondContact CB-O 3.21Å; T226-C304 HydrophobicContact CG2-CB 4.02Å; T226-C304 PolarHBondContact OG1-N 3.43Å; T226-C304 PolarHBondContact OG1-O 3.37Å |
| 227 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 178.2 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | I213 L223 M224 S229 V230 I231 I242 L244 W265 V269 | I213-V227 HydrophobicContact CD1-CG2 4.26Å; L223-V227 PolarHBondContact O-N 3.44Å; M224-V227 HydrophobicContact CE-CG2 4.14Å; M224-V227 PolarHBondContact O-N 2.93Å; M224-V227 VanDerWaalsContact O-N 3.15Å; V227-S229 PolarHBondContact O-N 3.38Å; V227-V230 PolarHBondContact O-N 2.82Å; V227-I231 HydrophobicContact CG1-CD1 3.85Å; V227-I231 WeakPolarHBondContact O-CG1 3.27Å; V227-I231 PolarHBondContact O-N 3.48Å; V227-I231 VanDerWaalsContact O-N 3.12Å; V227-I242 HydrophobicContact CG1-CD1 4.25Å; V227-L244 HydrophobicContact CG2-CD1 4.36Å; V227-L244 HydrophobicContact CG2-CD2 3.89Å; V227-W265 HydrophobicContact CG1-CE3 4.4Å; V227-W265 HydrophobicContact CG1-CH2 3.71Å; V227-W265 HydrophobicContact CG1-CZ2 4.18Å; V227-W265 HydrophobicContact CG1-CZ3 3.85Å; V227-V269 HydrophobicContact CG1-CG1 4.33Å; V227-V269 HydrophobicContact CG1-CG2 3.95Å |
| 228 | H | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 177.4 | -85.8 | -110 | 0 | 0 | 0 | 111.8 | L185 D186 M224 T226 V230 I231 K232 Y261 W265 | L185-H228 HydrophobicContact CB-CB 4.42Å; L185-H228 VanDerWaalsContact O-CB 3.32Å; L185-H228 WeakPolarHBondContact O-CB 3.48Å; D186-H228 IonicContact OD1-CE1 3.19Å; D186-H228 IonicContact OD1-CG 2.83Å; D186-H228 IonicContact OD1-ND1 3.69Å; D186-H228 PolarHBondContact OD1-ND1 3.22Å; D186-H228 IonicContact OD2-CE1 2.73Å; D186-H228 IonicContact OD2-ND1 3.45Å; D186-H228 PolarHBondContact OD2-ND1 3.15Å; M224-H228 WeakPolarHBondContact O-CB 3.43Å; M224-H228 PolarHBondContact O-CD2 3.21Å; M224-H228 PolarHBondContact O-N 3.09Å; T226-H228 PolarHBondContact O-N 3.42Å; H228-V230 VanDerWaalsContact C-N 3.32Å; H228-V230 PolarHBondContact O-N 2.77Å; H228-I231 PolarHBondContact O-N 3.37Å; H228-K232 WeakPolarHBondContact O-CB 3.12Å; H228-K232 PolarHBondContact O-N 2.8Å; H228-Y261 AromaticContact NE2-CE1 3.96Å; H228-Y261 AromaticContact NE2-CZ 3.91Å; H228-Y261 PolarHBondContact NE2-OH 3.4Å; H228-W265 AromaticContact CD2-CH2 3.69Å; H228-W265 AromaticContact CD2-CZ2 3.52Å; H228-W265 AromaticContact CE1-CZ2 3.93Å; H228-W265 AromaticContact NE2-CH2 3.6Å; H228-W265 AromaticContact NE2-CZ2 3.35Å; H228-W265 WeakPolarHBondContact NE2-CZ2 3.37Å |
| 229 | S | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.028 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.4 | -42.8 | -179.6 | 77.3 | 0 | 0 | 0 | 0 | 112.1 | R225 T226 V227 K232 R233 V306 | R225-S229 VanDerWaalsContact O-CB 3.29Å; R225-S229 WeakPolarHBondContact O-CB 3.24Å; R225-S229 PolarHBondContact O-N 3.2Å; R225-S229 PolarHBondContact O-OG 3.33Å; T226-S229 PolarHBondContact O-N 3.13Å; T226-S229 PolarHBondContact O-OG 2.63Å; V227-S229 PolarHBondContact O-N 3.38Å; S229-K232 PolarHBondContact O-N 2.89Å; S229-R233 WeakPolarHBondContact O-CB 3.49Å; S229-R233 PolarHBondContact O-N 2.74Å; S229-V306 VanDerWaalsContact O-CG2 3.29Å; S229-V306 WeakPolarHBondContact O-CG2 3.49Å; S229-V306 PolarHBondContact OG-N 2.79Å |
| 230 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | V211 T226 V227 H228 T234 L239 I242 L300 V306 | V211-V230 HydrophobicContact CB-CG1 4.38Å; V211-V230 HydrophobicContact CG1-CG1 4.39Å; V211-V230 HydrophobicContact CG1-CG2 4.38Å; V211-V230 HydrophobicContact CG2-CG1 3.93Å; T226-V230 WeakPolarHBondContact O-CG2 3.34Å; T226-V230 PolarHBondContact O-N 3.17Å; V227-V230 PolarHBondContact O-N 2.82Å; H228-V230 VanDerWaalsContact C-N 3.32Å; H228-V230 PolarHBondContact O-N 2.77Å; V230-T234 WeakPolarHBondContact O-CB 3.18Å; V230-T234 PolarHBondContact O-N 3.11Å; V230-T234 VanDerWaalsContact O-N 3.09Å; V230-T234 PolarHBondContact O-OG1 3.32Å; V230-L239 HydrophobicContact CG1-CD1 3.99Å; V230-L239 HydrophobicContact CG1-CD2 4.16Å; V230-I242 HydrophobicContact CB-CD1 4.05Å; V230-I242 HydrophobicContact CG1-CD1 3.66Å; V230-I242 HydrophobicContact CG1-CG1 4.2Å; V230-L300 HydrophobicContact CG2-CD1 3.49Å; V230-L300 VanDerWaalsContact CG2-CD1 3.49Å; V230-V306 HydrophobicContact CG2-CG1 4.04Å |
| 231 | I | 98.8 | Very high | 98.8 | Very high | 41 Ų | 41 | 29.3 Ų | 29.3 | 21% | 0.21 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | -179.5 | -65 | 174 | 0 | 0 | 0 | 111 | V227 H228 L239 I242 W265 L268 V269 | V227-I231 HydrophobicContact CG1-CD1 3.85Å; V227-I231 WeakPolarHBondContact O-CG1 3.27Å; V227-I231 PolarHBondContact O-N 3.48Å; V227-I231 VanDerWaalsContact O-N 3.12Å; H228-I231 PolarHBondContact O-N 3.37Å; I231-L239 HydrophobicContact CG1-CD2 4.37Å; I231-I242 HydrophobicContact CD1-CD1 3.97Å; I231-I242 HydrophobicContact CG1-CD1 3.5Å; I231-W265 HydrophobicContact CD1-CD2 3.64Å; I231-W265 HydrophobicContact CD1-CE3 4.42Å; I231-W265 HydrophobicContact CD1-CG 3.68Å; I231-W265 HydrophobicContact CD1-CZ2 3.95Å; I231-W265 VanDerWaalsContact CD1-NE1 3.34Å; I231-L268 HydrophobicContact CD1-CD2 4.45Å; I231-L268 HydrophobicContact CG1-CD2 4.37Å; I231-V269 HydrophobicContact CD1-CG2 3.84Å |
| 232 | K | 98.7 | Very high | 98.8 | Very high | 66 Ų | 66 | 29.1 Ų | 29.1 | 29% | 0.287 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -68.5 | -37 | -177 | -168 | -179.5 | -172.8 | -163.5 | 0 | 112.3 | E141 P142 D186 H228 S229 | E141-K232 WeakPolarHBondContact OE1-CE 3.26Å; E141-K232 IonicContact OE1-NZ 3.62Å; E141-K232 PolarHBondContact OE1-NZ 3.14Å; P142-K232 PolarHBondContact O-NZ 2.8Å; D186-K232 PolarHBondContact O-NZ 3.44Å; H228-K232 WeakPolarHBondContact O-CB 3.12Å; H228-K232 PolarHBondContact O-N 2.8Å; S229-K232 PolarHBondContact O-N 2.89Å |
| 233 | R | 98.8 | Very high | 98.8 | Very high | 20 Ų | 20 | 29 Ų | 29 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -113.4 | 4.3 | -168.3 | -61.3 | -178.6 | -174.2 | 111.3 | 12.9 | 115.3 | E141 R187 S229 V306 | E141-R233 IonicContact OE1-CZ 3.04Å; E141-R233 IonicContact OE1-NE 3.23Å; E141-R233 IonicContact OE1-NH2 2.7Å; E141-R233 PolarHBondContact OE1-NH2 3.16Å; E141-R233 WeakPolarHBondContact OE2-CG 3.49Å; E141-R233 IonicContact OE2-CZ 3.77Å; E141-R233 IonicContact OE2-NE 3.54Å; E141-R233 PolarHBondContact OE2-NE 2.95Å; E141-R233 IonicContact OE2-NH2 2.89Å; R187-R233 PolarHBondContact O-NH2 2.97Å; S229-R233 WeakPolarHBondContact O-CB 3.49Å; S229-R233 PolarHBondContact O-N 2.74Å; R233-V306 HydrophobicContact CB-CG2 4.09Å; R233-V306 WeakPolarHBondContact CD-O 3.2Å; R233-V306 PolarHBondContact NH1-O 3.33Å |
| 234 | T | 98.8 | Very high | 98.8 | Very high | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -105.6 | 128.4 | 174.7 | -51.1 | 0 | 0 | 0 | 0 | 110 | V230 R236 L239 W310 Y311 | V230-T234 WeakPolarHBondContact O-CB 3.18Å; V230-T234 PolarHBondContact O-N 3.11Å; V230-T234 VanDerWaalsContact O-N 3.09Å; V230-T234 PolarHBondContact O-OG1 3.32Å; T234-R236 PolarHBondContact O-N 3.03Å; T234-L239 HydrophobicContact CG2-CB 3.96Å; T234-L239 HydrophobicContact CG2-CD1 4.46Å; T234-W310 PolarHBondContact OG1-NE1 2.62Å; T234-Y311 HydrophobicContact CG2-CD2 3.67Å; T234-Y311 HydrophobicContact CG2-CE2 4.21Å; T234-Y311 HydrophobicContact CG2-CG 3.97Å |
| 235 | P | 98.6 | Very high | 98.8 | Very high | 45 Ų | 45 | 29 Ų | 29 | 29% | 0.292 | 13% | 0.133 | S | C | . | . | trans | -62 | 126.7 | 176.6 | -15.8 | 26.5 | 0 | 0 | 0 | 110.9 | F135 K237 Y238 | F135-P235 HydrophobicContact CD1-CG 4.15Å; F135-P235 HydrophobicContact CE1-CG 4.19Å; P235-K237 PolarHBondContact O-N 2.89Å; P235-Y238 HydrophobicContact CB-CD2 3.68Å; P235-Y238 HydrophobicContact CB-CE2 3.87Å; P235-Y238 HydrophobicContact CG-CD2 3.96Å; P235-Y238 HydrophobicContact CG-CE2 4.12Å; P235-Y238 PolarHBondContact O-N 2.99Å | ||
| 236 | R | 98.4 | Very high | 98.8 | Very high | 232 Ų | 232 | 29 Ų | 29 | 88% | 0.875 | 13% | 0.133 | S | C | * | . | G | 310 helix | trans | -52.5 | -36.9 | -167.3 | -62 | -178.6 | -175.1 | -178.5 | 0.6 | 114.6 | T234 Y238 L239 | T234-R236 PolarHBondContact O-N 3.03Å; R236-Y238 PolarHBondContact O-N 3.46Å; R236-L239 PolarHBondContact O-N 2.87Å |
| 237 | K | 98.4 | Very high | 98.7 | Very high | 124 Ų | 124 | 29.1 Ų | 29.1 | 54% | 0.539 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -63.9 | -20.7 | -179.1 | 57.3 | 167 | 163.2 | 162.7 | 0 | 114.3 | E204 P235 | E204-K237 IonicContact OE2-NZ 2.72Å; E204-K237 PolarHBondContact OE2-NZ 2.76Å; P235-K237 PolarHBondContact O-N 2.89Å |
| 238 | Y | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -101.7 | -16.7 | -179.1 | -49.1 | -65.9 | 0 | 0 | 0 | 113.6 | F135 E204 L206 T208 S209 P235 R236 A240 Y311 | F135-Y238 AromaticContact CE1-CE2 3.61Å; F135-Y238 HydrophobicContact CE1-CE2 3.61Å; F135-Y238 HydrophobicContact CZ-CE2 4.02Å; E204-Y238 WeakPolarHBondContact O-CE1 3.43Å; E204-Y238 PolarHBondContact O-OH 3.44Å; L206-Y238 HydrophobicContact CB-CD1 3.98Å; L206-Y238 HydrophobicContact CB-CE1 3.76Å; L206-Y238 HydrophobicContact CD1-CE1 4.45Å; L206-Y238 HydrophobicContact CD1-CE2 4.3Å; T208-Y238 CarbonylContact C-O 3.49Å; T208-Y238 WeakPolarHBondContact CA-O 3.39Å; S209-Y238 PolarHBondContact N-O 3.48Å; P235-Y238 HydrophobicContact CB-CD2 3.68Å; P235-Y238 HydrophobicContact CB-CE2 3.87Å; P235-Y238 HydrophobicContact CG-CD2 3.96Å; P235-Y238 HydrophobicContact CG-CE2 4.12Å; P235-Y238 PolarHBondContact O-N 2.99Å; R236-Y238 PolarHBondContact O-N 3.46Å; Y238-A240 PolarHBondContact O-N 3Å; Y238-Y311 VanDerWaalsContact CB-CZ 3.47Å; Y238-Y311 HydrophobicContact CD1-CE1 4.38Å; Y238-Y311 HydrophobicContact CD2-CD1 4.17Å; Y238-Y311 HydrophobicContact CD2-CE1 4.02Å; Y238-Y311 HydrophobicContact CG-CD1 4.31Å; Y238-Y311 AromaticContact CG-CE1 3.69Å; Y238-Y311 HydrophobicContact CG-CE1 3.69Å; Y238-Y311 PolarHBondContact O-OH 3.04Å |
| 239 | L | 98.9 | Very high | 98.6 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 95.5 | 178.9 | -173.7 | 63.1 | 0 | 0 | 0 | 109.6 | V211 V230 I231 T234 R236 I242 L268 | V211-L239 HydrophobicContact CB-CD1 4.5Å; V211-L239 HydrophobicContact CG2-CD1 3.64Å; V230-L239 HydrophobicContact CG1-CD1 3.99Å; V230-L239 HydrophobicContact CG1-CD2 4.16Å; I231-L239 HydrophobicContact CG1-CD2 4.37Å; T234-L239 HydrophobicContact CG2-CB 3.96Å; T234-L239 HydrophobicContact CG2-CD1 4.46Å; R236-L239 PolarHBondContact O-N 2.87Å; L239-I242 HydrophobicContact CD1-CG1 4.12Å; L239-I242 HydrophobicContact CD2-CD1 4.19Å; L239-I242 HydrophobicContact CD2-CG1 4.26Å; L239-I242 HydrophobicContact CG-CG1 4.48Å; L239-L268 HydrophobicContact CD2-CD2 4.24Å |
| 240 | A | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 39.5 Ų | 39.5 | 26% | 0.256 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | -43.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S209 Y238 L293 | S209-A240 WeakPolarHBondContact O-CB 3.38Å; S209-A240 PolarHBondContact O-N 3.47Å; Y238-A240 PolarHBondContact O-N 3Å; A240-L293 HydrophobicContact CB-CB 3.97Å |
| 241 | E | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 159.4 | 175.4 | 53.4 | -173.7 | 163 | 0 | 0 | 111.2 | S210 V211 V243 L268 K270 K292 L293 | S210-E241 WeakPolarHBondContact CA-O 3.38Å; S210-E241 WeakPolarHBondContact OG-CG 3.3Å; S210-E241 PolarHBondContact OG-OE1 3.34Å; S210-E241 VanDerWaalsContact OG-OE1 3.11Å; V211-E241 PolarHBondContact N-O 2.73Å; E241-V243 HydrophobicContact CB-CG2 4.48Å; E241-V243 HydrophobicContact CG-CG2 3.86Å; E241-L268 WeakPolarHBondContact CA-O 3.16Å; E241-K270 IonicContact OE2-NZ 3.15Å; E241-K270 PolarHBondContact OE2-NZ 2.91Å; E241-K292 PolarHBondContact OE1-N 3.02Å; E241-L293 HydrophobicContact CB-CD1 4.28Å; E241-L293 HydrophobicContact CG-CB 4.09Å; E241-L293 HydrophobicContact CG-CD1 4.29Å; E241-L293 HydrophobicContact CG-CG 4.38Å; E241-L293 WeakPolarHBondContact OE1-CB 3.26Å; E241-L293 WeakPolarHBondContact OE1-CG 3.34Å; E241-L293 PolarHBondContact OE1-N 2.81Å |
| 242 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.8 | 164.6 | -57.8 | 179.9 | 0 | 0 | 0 | 107.7 | V211 I213 V227 V230 I231 L239 L244 L268 V269 K270 | V211-I242 HydrophobicContact CB-CG1 4.39Å; V211-I242 CarbonylContact O-C 3.5Å; V211-I242 WeakPolarHBondContact O-CA 3.39Å; I213-I242 HydrophobicContact CD1-CG2 4.03Å; V227-I242 HydrophobicContact CG1-CD1 4.25Å; V230-I242 HydrophobicContact CB-CD1 4.05Å; V230-I242 HydrophobicContact CG1-CD1 3.66Å; V230-I242 HydrophobicContact CG1-CG1 4.2Å; I231-I242 HydrophobicContact CD1-CD1 3.97Å; I231-I242 HydrophobicContact CG1-CD1 3.5Å; L239-I242 HydrophobicContact CD1-CG1 4.12Å; L239-I242 HydrophobicContact CD2-CD1 4.19Å; L239-I242 HydrophobicContact CD2-CG1 4.26Å; L239-I242 HydrophobicContact CG-CG1 4.48Å; I242-L244 HydrophobicContact CG2-CD2 3.87Å; I242-L268 PolarHBondContact N-O 3.46Å; I242-V269 HydrophobicContact CB-CG1 4.36Å; I242-V269 HydrophobicContact CB-CG2 4.17Å; I242-V269 HydrophobicContact CD1-CG2 4.25Å; I242-V269 HydrophobicContact CG2-CG1 4.36Å; I242-V269 WeakPolarHBondContact O-CA 3.37Å; I242-K270 PolarHBondContact O-N 2.87Å |
| 243 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 106.6 | -176.2 | -179.9 | 0 | 0 | 0 | 0 | 109 | V211 V212 I213 E241 I245 F272 K290 A291 | V211-V243 PolarHBondContact O-N 2.82Å; V212-V243 WeakPolarHBondContact CA-O 3.16Å; V212-V243 HydrophobicContact CG2-CB 4.42Å; I213-V243 PolarHBondContact N-O 3.34Å; E241-V243 HydrophobicContact CB-CG2 4.48Å; E241-V243 HydrophobicContact CG-CG2 3.86Å; V243-I245 HydrophobicContact CG1-CD1 3.68Å; V243-I245 HydrophobicContact CG1-CG1 4.31Å; V243-F272 HydrophobicContact CG1-CD2 3.71Å; V243-F272 HydrophobicContact CG1-CE2 3.84Å; V243-K290 HydrophobicContact CG1-CB 4.39Å; V243-A291 HydrophobicContact CB-CB 4.47Å; V243-A291 HydrophobicContact CG2-CB 3.93Å |
| 244 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.5 | 174.4 | -49.3 | -176.3 | 0 | 0 | 0 | 109.2 | I213 F215 M224 V227 I242 L258 I262 V269 K270 V271 F272 | I213-L244 HydrophobicContact CB-CD2 3.8Å; I213-L244 HydrophobicContact CD1-CD2 3.93Å; I213-L244 HydrophobicContact CG1-CD2 4.36Å; I213-L244 HydrophobicContact CG2-CD2 4.34Å; I213-L244 CarbonylContact O-C 3.54Å; I213-L244 WeakPolarHBondContact O-CA 3.3Å; F215-L244 HydrophobicContact CD1-CB 4.31Å; F215-L244 HydrophobicContact CE1-CB 3.86Å; M224-L244 HydrophobicContact CE-CD1 4.48Å; V227-L244 HydrophobicContact CG2-CD1 4.36Å; V227-L244 HydrophobicContact CG2-CD2 3.89Å; I242-L244 HydrophobicContact CG2-CD2 3.87Å; L244-L258 HydrophobicContact CD1-CD1 4.49Å; L244-I262 HydrophobicContact CD1-CG2 4.35Å; L244-V269 HydrophobicContact CD1-CG1 3.89Å; L244-V269 HydrophobicContact CG-CG1 4.03Å; L244-K270 PolarHBondContact N-O 3.11Å; L244-V271 HydrophobicContact CB-CB 4.19Å; L244-V271 HydrophobicContact CB-CG2 4.16Å; L244-V271 CarbonylContact O-C 3.5Å; L244-V271 VanDerWaalsContact O-CA 3.32Å; L244-V271 WeakPolarHBondContact O-CA 3.2Å; L244-F272 PolarHBondContact O-N 3.08Å |
| 245 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 107.8 | 176.2 | -55.3 | -58.8 | 0 | 0 | 0 | 108.5 | V212 I213 V214 F215 V243 D247 F272 A283 K290 | V212-I245 HydrophobicContact CG1-CG1 4.17Å; I213-I245 PolarHBondContact O-N 3.17Å; V214-I245 HydrophobicContact CG2-CB 4.14Å; F215-I245 WeakPolarHBondContact CD1-O 3.47Å; F215-I245 PolarHBondContact N-O 2.98Å; V243-I245 HydrophobicContact CG1-CD1 3.68Å; V243-I245 HydrophobicContact CG1-CG1 4.31Å; I245-D247 PolarHBondContact O-N 3.13Å; I245-F272 HydrophobicContact CD1-CB 3.95Å; I245-F272 HydrophobicContact CD1-CD2 4.13Å; I245-F272 HydrophobicContact CD1-CG 4.47Å; I245-A283 HydrophobicContact CG2-CB 4.09Å; I245-K290 HydrophobicContact CD1-CB 4.43Å; I245-K290 HydrophobicContact CD1-CG 4.48Å |
| 246 | D | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 103.9 | 173.5 | -177.5 | 3.5 | 0 | 0 | 0 | 109.1 | F215 F248 S249 K255 F272 R273 N274 | F215-D246 HydrophobicContact CE1-CB 3.82Å; F215-D246 HydrophobicContact CE2-CB 3.83Å; F215-D246 HydrophobicContact CZ-CB 3.35Å; D246-F248 PolarHBondContact O-N 3.36Å; D246-F248 PolarHBondContact OD1-N 2.72Å; D246-S249 WeakPolarHBondContact OD1-CA 3.18Å; D246-S249 WeakPolarHBondContact OD1-CB 3.44Å; D246-S249 PolarHBondContact OD1-N 2.98Å; D246-S249 PolarHBondContact OD1-OG 2.59Å; D246-K255 IonicContact OD1-NZ 2.65Å; D246-K255 IonicContact OD2-NZ 3.11Å; D246-K255 PolarHBondContact OD2-NZ 3.21Å; D246-F272 PolarHBondContact N-O 3.24Å; D246-R273 HydrophobicContact CB-CB 4.41Å; D246-R273 HydrophobicContact CB-CG 3.87Å; D246-R273 IonicContact OD2-NE 3.81Å; D246-N274 PolarHBondContact O-N 2.89Å |
| 247 | D | 97.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -82.3 | 59.1 | 178.2 | -170.9 | 40.9 | 0 | 0 | 0 | 111.4 | V214 F215 H216 I245 N274 E278 G279 A283 | V214-D247 HydrophobicContact CG1-CB 4.35Å; F215-D247 PolarHBondContact O-N 3.12Å; H216-D247 HydrophobicContact CB-CB 4.42Å; H216-D247 PolarHBondContact ND1-O 3.32Å; I245-D247 PolarHBondContact O-N 3.13Å; D247-N274 PolarHBondContact OD1-ND2 3.38Å; D247-N274 VanDerWaalsContact OD1-ND2 3.08Å; D247-E278 PolarHBondContact OD1-N 3.04Å; D247-G279 PolarHBondContact OD1-N 3.03Å; D247-G279 WeakPolarHBondContact OD2-CA 3.44Å; D247-G279 PolarHBondContact OD2-N 3.34Å; D247-A283 HydrophobicContact CB-CB 4.04Å | ||
| 248 | F | 97.2 | Very high | 98.2 | Very high | 111 Ų | 111 | 40.5 Ų | 40.5 | 49% | 0.487 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 63.3 | 49.3 | 175.7 | -161.5 | -105.4 | 0 | 0 | 0 | 114 | H216 D246 E275 R276 R277 | H216-F248 PolarHBondContact CE1-O 2.87Å; H216-F248 PolarHBondContact ND1-O 3.38Å; D246-F248 PolarHBondContact O-N 3.36Å; D246-F248 PolarHBondContact OD1-N 2.72Å; F248-E275 WeakPolarHBondContact CD2-O 3.42Å; F248-E275 VanDerWaalsContact CE2-O 3.26Å; F248-E275 WeakPolarHBondContact CE2-O 3.31Å; F248-R276 VanDerWaalsContact CB-C 3.5Å; F248-R277 HydrophobicContact CB-CB 3.98Å; F248-R277 HydrophobicContact CD1-CB 4.25Å; F248-R277 HydrophobicContact CG-CB 4.46Å |
| 249 | S | 97.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | trans | -63.5 | 153.3 | 174 | -57.2 | 0 | 0 | 0 | 0 | 112 | H216 N217 D246 K255 | H216-S249 WeakPolarHBondContact CA-OG 3.43Å; N217-S249 PolarHBondContact N-OG 2.77Å; N217-S249 VanDerWaalsContact OD1-CA 3.3Å; N217-S249 WeakPolarHBondContact OD1-CA 3.29Å; N217-S249 WeakPolarHBondContact OD1-CB 3.37Å; D246-S249 WeakPolarHBondContact OD1-CA 3.18Å; D246-S249 WeakPolarHBondContact OD1-CB 3.44Å; D246-S249 PolarHBondContact OD1-N 2.98Å; D246-S249 PolarHBondContact OD1-OG 2.59Å; S249-K255 WeakPolarHBondContact O-CE 3.35Å; S249-K255 PolarHBondContact O-NZ 3.01Å | ||
| 250 | N | 95.7 | Very high | 98.1 | Very high | 116 Ų | 116 | 47.4 Ų | 47.4 | 62% | 0.62 | 23% | 0.228 | S | C | * | . | trans | -114.7 | -11.2 | 175.3 | 62 | 30.4 | 0 | 0 | 0 | 113.8 | N217 E252 | N217-N250 PolarHBondContact ND2-ND2 3.36Å; N217-N250 PolarHBondContact ND2-OD1 3.12Å; N217-N250 PolarHBondContact OD1-N 3.3Å; N217-N250 PolarHBondContact OD1-OD1 3.5Å; N217-N250 VanDerWaalsContact OD1-OD1 3.06Å; N250-E252 PolarHBondContact O-N 3.41Å | ||
| 251 | K | 96.4 | Very high | 98.1 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 22% | 0.217 | 23% | 0.229 | C | C | . | . | trans | -69.9 | 126.8 | 177.5 | -57 | -67.7 | 180 | -178.9 | 0 | 110.8 | E172 N217 H253 L254 | E172-K251 WeakPolarHBondContact OE1-CE 3.4Å; E172-K251 IonicContact OE1-NZ 3.99Å; E172-K251 PolarHBondContact OE1-NZ 2.82Å; N217-K251 HydrophobicContact CB-CG 3.91Å; N217-K251 PolarHBondContact OD1-N 3.01Å; K251-H253 VanDerWaalsContact C-N 3.29Å; K251-H253 WeakPolarHBondContact CB-NE2 3.44Å; K251-H253 PolarHBondContact O-N 3.33Å; K251-L254 HydrophobicContact CB-CD1 4.13Å; K251-L254 HydrophobicContact CB-CG 4.36Å; K251-L254 WeakPolarHBondContact O-CB 3.46Å; K251-L254 PolarHBondContact O-N 3.5Å | ||
| 252 | E | 98.2 | Very high | 98.1 | Very high | 164 Ų | 164 | 49.7 Ų | 49.7 | 77% | 0.766 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -56 | -40.7 | -175.4 | -171.7 | -174.3 | 172.1 | 0 | 0 | 112.7 | N250 L254 K255 | N250-E252 PolarHBondContact O-N 3.41Å; E252-L254 PolarHBondContact O-N 3.16Å; E252-K255 WeakPolarHBondContact O-CB 2.81Å; E252-K255 PolarHBondContact O-N 3.41Å |
| 253 | H | 98.1 | Very high | 98 | Very high | 44 Ų | 44 | 55.3 Ų | 55.3 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -64.7 | -11.1 | -178.8 | 63.9 | 75 | 0 | 0 | 0 | 114.3 | E218 W220 K251 K257 | E218-H253 PolarHBondContact O-CE1 2.86Å; W220-H253 HydrophobicContact CE3-CB 4.21Å; W220-H253 VanDerWaalsContact CE3-O 3.31Å; W220-H253 WeakPolarHBondContact CZ3-O 3.43Å; K251-H253 VanDerWaalsContact C-N 3.29Å; K251-H253 WeakPolarHBondContact CB-NE2 3.44Å; K251-H253 PolarHBondContact O-N 3.33Å; H253-K257 HydrophobicContact CB-CD 4.17Å |
| 254 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -93.9 | 0.6 | 176.4 | -61.5 | 174.9 | 0 | 0 | 0 | 113.2 | F215 L223 K251 E252 R273 | F215-L254 HydrophobicContact CD2-CD1 4.01Å; F215-L254 HydrophobicContact CD2-CD2 4.26Å; F215-L254 HydrophobicContact CE2-CB 4.04Å; F215-L254 HydrophobicContact CE2-CD1 3.93Å; F215-L254 HydrophobicContact CE2-CD2 3.96Å; F215-L254 HydrophobicContact CE2-CG 4.18Å; L223-L254 HydrophobicContact CD2-CD2 3.66Å; K251-L254 HydrophobicContact CB-CD1 4.13Å; K251-L254 HydrophobicContact CB-CG 4.36Å; K251-L254 WeakPolarHBondContact O-CB 3.46Å; K251-L254 PolarHBondContact O-N 3.5Å; E252-L254 PolarHBondContact O-N 3.16Å; L254-R273 PolarHBondContact O-NH2 3.07Å; L254-R273 VanDerWaalsContact O-NH2 3.15Å |
| 255 | K | 97.9 | Very high | 98 | Very high | 48 Ų | 48 | 61.9 Ų | 61.9 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -98.7 | -118.8 | -178.8 | -53.1 | -54.4 | 176 | -177.8 | 0 | 110.1 | D246 S249 E252 K257 L258 D259 R273 | D246-K255 IonicContact OD1-NZ 2.65Å; D246-K255 IonicContact OD2-NZ 3.11Å; D246-K255 PolarHBondContact OD2-NZ 3.21Å; S249-K255 WeakPolarHBondContact O-CE 3.35Å; S249-K255 PolarHBondContact O-NZ 3.01Å; E252-K255 WeakPolarHBondContact O-CB 2.81Å; E252-K255 PolarHBondContact O-N 3.41Å; K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 2.83Å; K255-L258 WeakPolarHBondContact O-CB 3.3Å; K255-L258 PolarHBondContact O-N 3.45Å; K255-D259 PolarHBondContact O-N 3.34Å; K255-R273 PolarHBondContact O-NH2 3.18Å |
| 256 | E | 97.4 | Very high | 97.9 | Very high | 134 Ų | 134 | 69.3 Ų | 69.3 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.5 | -38.8 | -172.8 | -61.6 | 75.7 | -163.7 | 0 | 0 | 111.9 | L258 D259 E260 | E256-L258 VanDerWaalsContact C-N 3.29Å; E256-L258 PolarHBondContact O-N 3.09Å; E256-D259 PolarHBondContact O-N 3.4Å; E256-E260 PolarHBondContact O-N 3.17Å |
| 257 | K | 98.4 | Very high | 97.8 | Very high | 114 Ų | 114 | 71.3 Ų | 71.3 | 50% | 0.496 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 177 | -175.9 | -176.1 | 173.3 | -177.6 | 0 | 112.4 | W220 H253 K255 Y261 | W220-K257 HydrophobicContact CE3-CD 4.15Å; W220-K257 HydrophobicContact CH2-CD 4.1Å; W220-K257 HydrophobicContact CH2-CG 3.78Å; W220-K257 HydrophobicContact CZ3-CB 4.34Å; W220-K257 HydrophobicContact CZ3-CD 3.87Å; W220-K257 HydrophobicContact CZ3-CG 3.76Å; H253-K257 HydrophobicContact CB-CD 4.17Å; K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 2.83Å; K257-Y261 WeakPolarHBondContact O-CB 3.42Å; K257-Y261 PolarHBondContact O-N 3.11Å; K257-Y261 VanDerWaalsContact O-N 3.1Å |
| 258 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.6 | -43.9 | 178.2 | 178.4 | 61.4 | 0 | 0 | 0 | 110.3 | F215 W220 L223 M224 L244 K255 E256 E260 Y261 I262 V271 | F215-L258 HydrophobicContact CE1-CD2 4.37Å; F215-L258 HydrophobicContact CE2-CD2 4.33Å; F215-L258 HydrophobicContact CZ-CD2 3.67Å; W220-L258 HydrophobicContact CZ3-CB 4.21Å; W220-L258 HydrophobicContact CZ3-CD1 4.36Å; L223-L258 HydrophobicContact CD2-CD1 4.5Å; L223-L258 HydrophobicContact CD2-CD2 4.42Å; M224-L258 HydrophobicContact CE-CD1 3.42Å; M224-L258 VanDerWaalsContact CE-CD1 3.42Å; M224-L258 HydrophobicContact SD-CD1 4.07Å; L244-L258 HydrophobicContact CD1-CD1 4.49Å; K255-L258 WeakPolarHBondContact O-CB 3.3Å; K255-L258 PolarHBondContact O-N 3.45Å; E256-L258 VanDerWaalsContact C-N 3.29Å; E256-L258 PolarHBondContact O-N 3.09Å; L258-E260 VanDerWaalsContact C-N 3.32Å; L258-E260 PolarHBondContact O-N 3.13Å; L258-Y261 PolarHBondContact O-N 3.3Å; L258-I262 HydrophobicContact CD1-CG2 3.84Å; L258-I262 HydrophobicContact CG-CG2 4.36Å; L258-I262 WeakPolarHBondContact O-CG1 3.49Å; L258-I262 WeakPolarHBondContact O-CG2 3.26Å; L258-I262 PolarHBondContact O-N 2.65Å; L258-V271 HydrophobicContact CD2-CG2 4.23Å |
| 259 | D | 98.1 | Very high | 98 | Very high | 50 Ų | 50 | 68.6 Ų | 68.6 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 179.8 | -67.1 | -20.7 | 0 | 0 | 0 | 112.6 | K255 E256 I262 K263 V271 R273 | K255-D259 PolarHBondContact O-N 3.34Å; E256-D259 PolarHBondContact O-N 3.4Å; D259-I262 WeakPolarHBondContact O-CG1 3.39Å; D259-K263 WeakPolarHBondContact O-CG 3.43Å; D259-V271 WeakPolarHBondContact OD1-CG1 3.45Å; D259-R273 VanDerWaalsContact CG-NH2 3.26Å; D259-R273 IonicContact OD1-CZ 3.34Å; D259-R273 IonicContact OD1-NH1 2.68Å; D259-R273 PolarHBondContact OD1-NH1 3.4Å; D259-R273 IonicContact OD1-NH2 3.96Å; D259-R273 PolarHBondContact OD1-NH2 2.88Å; D259-R273 IonicContact OD2-CZ 2.62Å; D259-R273 IonicContact OD2-NH1 3.92Å; D259-R273 PolarHBondContact OD2-NH1 2.93Å; D259-R273 IonicContact OD2-NH2 2.78Å; D259-R273 PolarHBondContact OD2-NH2 3.45Å |
| 260 | E | 98.6 | Very high | 98 | Very high | 116 Ų | 116 | 71.3 Ų | 71.3 | 54% | 0.542 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.4 | -41.9 | 175.9 | -68.7 | -55 | 138.6 | 0 | 0 | 112.1 | E256 L258 K263 | E256-E260 PolarHBondContact O-N 3.17Å; L258-E260 VanDerWaalsContact C-N 3.32Å; L258-E260 PolarHBondContact O-N 3.13Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.65Å; E260-K263 IonicContact OE1-NZ 2.64Å; E260-K263 PolarHBondContact OE1-NZ 2.73Å; E260-K263 WeakPolarHBondContact OE2-CE 3.48Å; E260-K263 IonicContact OE2-NZ 3.28Å; E260-K263 PolarHBondContact OE2-NZ 3.45Å |
| 261 | Y | 98.6 | Very high | 98.2 | Very high | 70 Ų | 70 | 67 Ų | 67 | 28% | 0.275 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | -177.1 | -171.4 | -99.4 | 0 | 0 | 0 | 112.9 | L185 W220 M224 H228 K257 L258 K263 L264 W265 | L185-Y261 WeakPolarHBondContact CD1-OH 3.46Å; W220-Y261 HydrophobicContact CH2-CD1 4.17Å; W220-Y261 HydrophobicContact CH2-CD2 4.32Å; W220-Y261 AromaticContact CH2-CG 3.79Å; W220-Y261 HydrophobicContact CH2-CG 3.79Å; W220-Y261 AromaticContact CZ2-CD1 3.96Å; W220-Y261 HydrophobicContact CZ2-CD1 3.96Å; W220-Y261 AromaticContact CZ2-CD2 3.85Å; W220-Y261 HydrophobicContact CZ2-CD2 3.85Å; W220-Y261 HydrophobicContact CZ2-CE1 4.37Å; W220-Y261 HydrophobicContact CZ2-CE2 4.29Å; W220-Y261 AromaticContact CZ2-CG 3.67Å; W220-Y261 HydrophobicContact CZ2-CG 3.67Å; M224-Y261 HydrophobicContact CB-CE1 4.47Å; M224-Y261 HydrophobicContact CG-CD1 4.3Å; M224-Y261 HydrophobicContact CG-CE1 4.02Å; M224-Y261 HydrophobicContact SD-CD1 3.39Å; M224-Y261 WeakPolarHBondContact SD-CD1 3.29Å; M224-Y261 HydrophobicContact SD-CE1 3.47Å; M224-Y261 WeakPolarHBondContact SD-CE1 3.49Å; H228-Y261 AromaticContact NE2-CE1 3.96Å; H228-Y261 AromaticContact NE2-CZ 3.91Å; H228-Y261 PolarHBondContact NE2-OH 3.4Å; K257-Y261 WeakPolarHBondContact O-CB 3.42Å; K257-Y261 PolarHBondContact O-N 3.11Å; K257-Y261 VanDerWaalsContact O-N 3.1Å; L258-Y261 PolarHBondContact O-N 3.3Å; Y261-K263 PolarHBondContact O-N 2.91Å; Y261-K263 VanDerWaalsContact O-N 3.11Å; Y261-L264 WeakPolarHBondContact O-CB 3.48Å; Y261-L264 PolarHBondContact O-N 3.42Å; Y261-L264 VanDerWaalsContact O-N 3.08Å; Y261-W265 HydrophobicContact CD1-CH2 4.16Å; Y261-W265 HydrophobicContact CD1-CZ3 4.1Å; Y261-W265 AromaticContact CE1-CH2 3.64Å; Y261-W265 HydrophobicContact CE1-CH2 3.64Å; Y261-W265 HydrophobicContact CE1-CZ3 4.06Å |
| 262 | I | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 67.8 Ų | 67.8 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.9 | -16.2 | -177.8 | 64.2 | 171.5 | 0 | 0 | 0 | 113.4 | L244 L258 D259 L264 W265 V269 V271 | L244-I262 HydrophobicContact CD1-CG2 4.35Å; L258-I262 HydrophobicContact CD1-CG2 3.84Å; L258-I262 HydrophobicContact CG-CG2 4.36Å; L258-I262 WeakPolarHBondContact O-CG1 3.49Å; L258-I262 WeakPolarHBondContact O-CG2 3.26Å; L258-I262 PolarHBondContact O-N 2.65Å; D259-I262 WeakPolarHBondContact O-CG1 3.39Å; I262-L264 PolarHBondContact O-N 2.88Å; I262-L264 VanDerWaalsContact O-N 3.15Å; I262-W265 HydrophobicContact CB-CE3 4.43Å; I262-W265 HydrophobicContact CG2-CZ3 4.3Å; I262-W265 PolarHBondContact O-N 3.25Å; I262-V269 HydrophobicContact CB-CB 4.34Å; I262-V269 HydrophobicContact CB-CG1 4.22Å; I262-V269 HydrophobicContact CG2-CG1 3.96Å; I262-V271 HydrophobicContact CD1-CB 4.14Å; I262-V271 HydrophobicContact CD1-CG1 3.62Å |
| 263 | K | 98.1 | Very high | 98.3 | Very high | 117 Ų | 117 | 64.3 Ų | 64.3 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -60.1 | -21.2 | 173 | -65.1 | 176.8 | -172.1 | 172 | 0 | 112.6 | D259 E260 Y261 W265 N266 | D259-K263 WeakPolarHBondContact O-CG 3.43Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.65Å; E260-K263 IonicContact OE1-NZ 2.64Å; E260-K263 PolarHBondContact OE1-NZ 2.73Å; E260-K263 WeakPolarHBondContact OE2-CE 3.48Å; E260-K263 IonicContact OE2-NZ 3.28Å; E260-K263 PolarHBondContact OE2-NZ 3.45Å; Y261-K263 PolarHBondContact O-N 2.91Å; Y261-K263 VanDerWaalsContact O-N 3.11Å; K263-W265 PolarHBondContact O-N 3.03Å; K263-W265 VanDerWaalsContact O-N 3.08Å; K263-N266 PolarHBondContact O-N 3.27Å |
| 264 | L | 98.3 | Very high | 98.3 | Very high | 102 Ų | 102 | 63.1 Ų | 63.1 | 53% | 0.534 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -48.6 | -34.3 | 172.7 | 178.6 | 61.8 | 0 | 0 | 0 | 112.8 | Y261 I262 | Y261-L264 WeakPolarHBondContact O-CB 3.48Å; Y261-L264 PolarHBondContact O-N 3.42Å; Y261-L264 VanDerWaalsContact O-N 3.08Å; I262-L264 PolarHBondContact O-N 2.88Å; I262-L264 VanDerWaalsContact O-N 3.15Å |
| 265 | W | 98.5 | Very high | 98.2 | Very high | 36 Ų | 36 | 72.1 Ų | 72.1 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -102 | 22 | -176.6 | -58.2 | -69.7 | 0 | 0 | 0 | 114 | V227 H228 I231 Y261 I262 K263 G267 L268 V269 | V227-W265 HydrophobicContact CG1-CE3 4.4Å; V227-W265 HydrophobicContact CG1-CH2 3.71Å; V227-W265 HydrophobicContact CG1-CZ2 4.18Å; V227-W265 HydrophobicContact CG1-CZ3 3.85Å; H228-W265 AromaticContact CD2-CH2 3.69Å; H228-W265 AromaticContact CD2-CZ2 3.52Å; H228-W265 AromaticContact CE1-CZ2 3.93Å; H228-W265 AromaticContact NE2-CH2 3.6Å; H228-W265 AromaticContact NE2-CZ2 3.35Å; H228-W265 WeakPolarHBondContact NE2-CZ2 3.37Å; I231-W265 HydrophobicContact CD1-CD2 3.64Å; I231-W265 HydrophobicContact CD1-CE3 4.42Å; I231-W265 HydrophobicContact CD1-CG 3.68Å; I231-W265 HydrophobicContact CD1-CZ2 3.95Å; I231-W265 VanDerWaalsContact CD1-NE1 3.34Å; Y261-W265 HydrophobicContact CD1-CH2 4.16Å; Y261-W265 HydrophobicContact CD1-CZ3 4.1Å; Y261-W265 AromaticContact CE1-CH2 3.64Å; Y261-W265 HydrophobicContact CE1-CH2 3.64Å; Y261-W265 HydrophobicContact CE1-CZ3 4.06Å; I262-W265 HydrophobicContact CB-CE3 4.43Å; I262-W265 HydrophobicContact CG2-CZ3 4.3Å; I262-W265 PolarHBondContact O-N 3.25Å; K263-W265 PolarHBondContact O-N 3.03Å; K263-W265 VanDerWaalsContact O-N 3.08Å; W265-G267 PolarHBondContact O-N 2.88Å; W265-L268 HydrophobicContact CB-CB 4.13Å; W265-L268 VanDerWaalsContact O-CB 3.23Å; W265-L268 WeakPolarHBondContact O-CB 3.35Å; W265-L268 PolarHBondContact O-N 3.42Å; W265-V269 HydrophobicContact CB-CG2 3.92Å; W265-V269 HydrophobicContact CD2-CG2 3.81Å; W265-V269 HydrophobicContact CE3-CB 3.98Å; W265-V269 HydrophobicContact CE3-CG2 3.51Å; W265-V269 HydrophobicContact CG-CG2 4.02Å; W265-V269 HydrophobicContact CZ3-CG2 4.23Å |
| 266 | N | 97.7 | Very high | 98 | Very high | 157 Ų | 157 | 76.6 Ų | 76.6 | 84% | 0.84 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 36.7 | 168.5 | -51.1 | 107.8 | 0 | 0 | 0 | 114.3 | K263 | K263-N266 PolarHBondContact O-N 3.27Š|
| 267 | G | 97 | Very high | 97.9 | Very high | 43 Ų | 43 | 72 Ų | 72 | 44% | 0.443 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 0.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | W265 V269 K270 | W265-G267 PolarHBondContact O-N 2.88Å; G267-V269 VanDerWaalsContact C-N 3.27Å; G267-K270 VanDerWaalsContact O-CE 3.3Å; G267-K270 WeakPolarHBondContact O-CE 3.46Å |
| 268 | L | 98.6 | Very high | 97.7 | Very high | 53 Ų | 53 | 68.8 Ų | 68.8 | 28% | 0.277 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -61.1 | -39.7 | 168.9 | 178.8 | 68.4 | 0 | 0 | 0 | 111.2 | I231 L239 E241 I242 W265 | I231-L268 HydrophobicContact CD1-CD2 4.45Å; I231-L268 HydrophobicContact CG1-CD2 4.37Å; L239-L268 HydrophobicContact CD2-CD2 4.24Å; E241-L268 WeakPolarHBondContact CA-O 3.16Å; I242-L268 PolarHBondContact N-O 3.46Å; W265-L268 HydrophobicContact CB-CB 4.13Å; W265-L268 VanDerWaalsContact O-CB 3.23Å; W265-L268 WeakPolarHBondContact O-CB 3.35Å; W265-L268 PolarHBondContact O-N 3.42Å |
| 269 | V | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.9 | 175.8 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | V227 I231 I242 L244 I262 W265 G267 | V227-V269 HydrophobicContact CG1-CG1 4.33Å; V227-V269 HydrophobicContact CG1-CG2 3.95Å; I231-V269 HydrophobicContact CD1-CG2 3.84Å; I242-V269 HydrophobicContact CB-CG1 4.36Å; I242-V269 HydrophobicContact CB-CG2 4.17Å; I242-V269 HydrophobicContact CD1-CG2 4.25Å; I242-V269 HydrophobicContact CG2-CG1 4.36Å; I242-V269 WeakPolarHBondContact O-CA 3.37Å; L244-V269 HydrophobicContact CD1-CG1 3.89Å; L244-V269 HydrophobicContact CG-CG1 4.03Å; I262-V269 HydrophobicContact CB-CB 4.34Å; I262-V269 HydrophobicContact CB-CG1 4.22Å; I262-V269 HydrophobicContact CG2-CG1 3.96Å; W265-V269 HydrophobicContact CB-CG2 3.92Å; W265-V269 HydrophobicContact CD2-CG2 3.81Å; W265-V269 HydrophobicContact CE3-CB 3.98Å; W265-V269 HydrophobicContact CE3-CG2 3.51Å; W265-V269 HydrophobicContact CG-CG2 4.02Å; W265-V269 HydrophobicContact CZ3-CG2 4.23Å; G267-V269 VanDerWaalsContact C-N 3.27Å |
| 270 | K | 98.4 | Very high | 97.3 | Very high | 66 Ų | 66 | 68.3 Ų | 68.3 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.4 | -179.7 | -60 | 172.7 | -168.4 | 161.1 | 0 | 109.3 | E241 I242 L244 G267 F272 | E241-K270 IonicContact OE2-NZ 3.15Å; E241-K270 PolarHBondContact OE2-NZ 2.91Å; I242-K270 PolarHBondContact O-N 2.87Å; L244-K270 PolarHBondContact N-O 3.11Å; G267-K270 VanDerWaalsContact O-CE 3.3Å; G267-K270 WeakPolarHBondContact O-CE 3.46Å; K270-F272 HydrophobicContact CB-CE2 4.08Å |
| 271 | V | 98.8 | Very high | 97.2 | Very high | 24 Ų | 24 | 62.8 Ų | 62.8 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.7 | 173.2 | 63.5 | 0 | 0 | 0 | 0 | 110.3 | F215 L244 L258 D259 I262 | F215-V271 HydrophobicContact CE1-CG2 4.22Å; F215-V271 HydrophobicContact CZ-CG2 4.24Å; L244-V271 HydrophobicContact CB-CB 4.19Å; L244-V271 HydrophobicContact CB-CG2 4.16Å; L244-V271 CarbonylContact O-C 3.5Å; L244-V271 VanDerWaalsContact O-CA 3.32Å; L244-V271 WeakPolarHBondContact O-CA 3.2Å; L258-V271 HydrophobicContact CD2-CG2 4.23Å; D259-V271 WeakPolarHBondContact OD1-CG1 3.45Å; I262-V271 HydrophobicContact CD1-CB 4.14Å; I262-V271 HydrophobicContact CD1-CG1 3.62Å |
| 272 | F | 98.7 | Very high | 97.2 | Very high | 67 Ų | 67 | 61.1 Ų | 61.1 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.3 | 171.2 | -61.1 | -84.3 | 0 | 0 | 0 | 108.9 | V243 L244 I245 D246 K270 K290 | V243-F272 HydrophobicContact CG1-CD2 3.71Å; V243-F272 HydrophobicContact CG1-CE2 3.84Å; L244-F272 PolarHBondContact O-N 3.08Å; I245-F272 HydrophobicContact CD1-CB 3.95Å; I245-F272 HydrophobicContact CD1-CD2 4.13Å; I245-F272 HydrophobicContact CD1-CG 4.47Å; D246-F272 PolarHBondContact N-O 3.24Å; K270-F272 HydrophobicContact CB-CE2 4.08Å; F272-K290 HydrophobicContact CD1-CD 4.09Å; F272-K290 HydrophobicContact CD1-CG 4.49Å; F272-K290 HydrophobicContact CD2-CB 3.95Å; F272-K290 HydrophobicContact CD2-CG 4.33Å; F272-K290 HydrophobicContact CE1-CD 4.31Å; F272-K290 HydrophobicContact CE2-CB 3.99Å; F272-K290 HydrophobicContact CG-CB 4.33Å; F272-K290 HydrophobicContact CG-CD 4.3Å; F272-K290 HydrophobicContact CG-CG 4.21Å; F272-K290 HydrophobicContact CZ-CB 4.41Å |
| 273 | R | 98.5 | Very high | 97.2 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.9 | -177 | -66.4 | 177.7 | 169.6 | 85.1 | 8.6 | 110.3 | D246 L254 K255 D259 | D246-R273 HydrophobicContact CB-CB 4.41Å; D246-R273 HydrophobicContact CB-CG 3.87Å; D246-R273 IonicContact OD2-NE 3.81Å; L254-R273 PolarHBondContact O-NH2 3.07Å; L254-R273 VanDerWaalsContact O-NH2 3.15Å; K255-R273 PolarHBondContact O-NH2 3.18Å; D259-R273 VanDerWaalsContact CG-NH2 3.26Å; D259-R273 IonicContact OD1-CZ 3.34Å; D259-R273 IonicContact OD1-NH1 2.68Å; D259-R273 PolarHBondContact OD1-NH1 3.4Å; D259-R273 IonicContact OD1-NH2 3.96Å; D259-R273 PolarHBondContact OD1-NH2 2.88Å; D259-R273 IonicContact OD2-CZ 2.62Å; D259-R273 IonicContact OD2-NH1 3.92Å; D259-R273 PolarHBondContact OD2-NH1 2.93Å; D259-R273 IonicContact OD2-NH2 2.78Å; D259-R273 PolarHBondContact OD2-NH2 3.45Å |
| 274 | N | 98.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.102 | 27% | 0.266 | C | S | . | . | trans | -76 | 144.1 | 172 | -66.8 | -10.3 | 0 | 0 | 0 | 109.9 | D246 D247 R276 E278 | D246-N274 PolarHBondContact O-N 2.89Å; D247-N274 PolarHBondContact OD1-ND2 3.38Å; D247-N274 VanDerWaalsContact OD1-ND2 3.08Å; N274-R276 VanDerWaalsContact C-N 3.28Å; N274-R276 VanDerWaalsContact CB-O 3.27Å; N274-R276 WeakPolarHBondContact CB-O 3.33Å; N274-E278 HydrophobicContact CB-CG 4.39Å | ||
| 275 | E | 96.2 | Very high | 97.2 | Very high | 190 Ų | 190 | 50.5 Ų | 50.5 | 89% | 0.888 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -76 | -19.6 | 179.2 | -64.4 | 177.1 | -174.2 | 0 | 0 | 112.6 | F248 | F248-E275 WeakPolarHBondContact CD2-O 3.42Å; F248-E275 VanDerWaalsContact CE2-O 3.26Å; F248-E275 WeakPolarHBondContact CE2-O 3.31Å |
| 276 | R | 94.8 | Very high | 97.2 | Very high | 142 Ų | 142 | 50.3 Ų | 50.3 | 54% | 0.536 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -144.5 | 170 | 175.4 | 67.3 | -178.4 | -175 | -178.7 | 6.2 | 109.9 | F248 N274 E278 | F248-R276 VanDerWaalsContact CB-C 3.5Å; N274-R276 VanDerWaalsContact C-N 3.28Å; N274-R276 VanDerWaalsContact CB-O 3.27Å; N274-R276 WeakPolarHBondContact CB-O 3.33Å; R276-E278 HydrophobicContact CG-CG 4.34Å; R276-E278 VanDerWaalsContact CG-OE1 3.23Å; R276-E278 WeakPolarHBondContact CG-OE1 3.42Å; R276-E278 IonicContact CZ-OE1 3.49Å; R276-E278 IonicContact CZ-OE2 3.46Å; R276-E278 IonicContact NE-OE1 2.73Å; R276-E278 PolarHBondContact NE-OE1 3.24Å; R276-E278 IonicContact NE-OE2 3.11Å; R276-E278 PolarHBondContact NE-OE2 3.17Å; R276-E278 VanDerWaalsContact NE-OE2 3.11Å; R276-E278 IonicContact NH2-OE1 3.38Å; R276-E278 PolarHBondContact NH2-OE1 2.9Å; R276-E278 IonicContact NH2-OE2 2.94Å; R276-E278 PolarHBondContact NH2-OE2 3.44Å; R276-E278 PolarHBondContact O-N 3.36Å; R276-E278 VanDerWaalsContact O-N 3.14Å |
| 277 | R | 94.5 | Very high | 97.3 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | trans | -79.7 | 93 | 177.6 | -174.5 | 164.1 | 171.4 | -132.6 | 5 | 111.4 | F248 G279 P451 P453 Y455 | F248-R277 HydrophobicContact CB-CB 3.98Å; F248-R277 HydrophobicContact CD1-CB 4.25Å; F248-R277 HydrophobicContact CG-CB 4.46Å; R277-G279 VanDerWaalsContact C-N 3.26Å; R277-G279 PolarHBondContact O-N 2.83Å; R277-P451 PolarHBondContact NH1-O 3.38Å; R277-P453 HydrophobicContact CB-CG 4.12Å; R277-P453 HydrophobicContact CG-CG 4.04Å; R277-P453 VanDerWaalsContact NH1-CD 3.34Å; R277-Y455 PolarHBondContact O-OH 3.46Å | ||
| 278 | E | 94.9 | Very high | 97.3 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | trans | -73.2 | -23.5 | -178 | -59.9 | -68.5 | 175.9 | 0 | 0 | 111.9 | D247 N274 R276 Q282 I286 | D247-E278 PolarHBondContact OD1-N 3.04Å; N274-E278 HydrophobicContact CB-CG 4.39Å; R276-E278 HydrophobicContact CG-CG 4.34Å; R276-E278 VanDerWaalsContact CG-OE1 3.23Å; R276-E278 WeakPolarHBondContact CG-OE1 3.42Å; R276-E278 IonicContact CZ-OE1 3.49Å; R276-E278 IonicContact CZ-OE2 3.46Å; R276-E278 IonicContact NE-OE1 2.73Å; R276-E278 PolarHBondContact NE-OE1 3.24Å; R276-E278 IonicContact NE-OE2 3.11Å; R276-E278 PolarHBondContact NE-OE2 3.17Å; R276-E278 VanDerWaalsContact NE-OE2 3.11Å; R276-E278 IonicContact NH2-OE1 3.38Å; R276-E278 PolarHBondContact NH2-OE1 2.9Å; R276-E278 IonicContact NH2-OE2 2.94Å; R276-E278 PolarHBondContact NH2-OE2 3.44Å; R276-E278 PolarHBondContact O-N 3.36Å; R276-E278 VanDerWaalsContact O-N 3.14Å; E278-Q282 HydrophobicContact CB-CB 3.91Å; E278-I286 HydrophobicContact CB-CD1 4.27Å; E278-I286 HydrophobicContact CG-CD1 3.72Å | ||
| 279 | G | 94 | Very high | 97.3 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | 89.1 | 161.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D247 R277 I281 Q282 A283 | D247-G279 PolarHBondContact OD1-N 3.03Å; D247-G279 WeakPolarHBondContact OD2-CA 3.44Å; D247-G279 PolarHBondContact OD2-N 3.34Å; R277-G279 VanDerWaalsContact C-N 3.26Å; R277-G279 PolarHBondContact O-N 2.83Å; G279-I281 VanDerWaalsContact C-N 3.26Å; G279-I281 PolarHBondContact O-N 2.82Å; G279-I281 VanDerWaalsContact O-N 3.17Å; G279-Q282 PolarHBondContact O-N 3.07Å; G279-A283 WeakPolarHBondContact O-CB 3.47Å; G279-A283 PolarHBondContact O-N 2.94Å |
| 280 | L | 95.1 | Very high | 97.3 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -51.7 | -46.2 | -173.8 | -179.5 | 67.2 | 0 | 0 | 0 | 112.1 | V214 R284 I411 | V214-L280 HydrophobicContact CB-CD1 4.16Å; V214-L280 HydrophobicContact CG1-CD1 4.01Å; L280-R284 WeakPolarHBondContact O-CG 3.42Å; L280-R284 PolarHBondContact O-N 3.08Å; L280-I411 WeakPolarHBondContact CB-O 3.38Å; L280-I411 PolarHBondContact N-O 3.43Å |
| 281 | I | 96.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -55 | -173.3 | -50.7 | 171.5 | 0 | 0 | 0 | 110.7 | G279 R284 S285 Y405 L409 E415 | G279-I281 VanDerWaalsContact C-N 3.26Å; G279-I281 PolarHBondContact O-N 2.82Å; G279-I281 VanDerWaalsContact O-N 3.17Å; I281-R284 WeakPolarHBondContact O-CB 3.44Å; I281-R284 PolarHBondContact O-N 3.07Å; I281-S285 PolarHBondContact O-N 2.94Å; I281-Y405 HydrophobicContact CG2-CD1 4.48Å; I281-Y405 HydrophobicContact CG2-CD2 3.97Å; I281-Y405 HydrophobicContact CG2-CG 3.83Å; I281-L409 HydrophobicContact CD1-CB 3.74Å; I281-L409 HydrophobicContact CG2-CB 4.06Å; I281-L409 HydrophobicContact CG2-CD1 4.37Å; I281-E415 HydrophobicContact CB-CB 4.41Å; I281-E415 HydrophobicContact CD1-CB 3.88Å; I281-E415 HydrophobicContact CD1-CG 4.29Å; I281-E415 HydrophobicContact CG1-CB 3.83Å; I281-E415 HydrophobicContact CG1-CG 3.83Å; I281-E415 HydrophobicContact CG2-CB 3.77Å; I281-E415 HydrophobicContact CG2-CG 4.32Å |
| 282 | Q | 97.6 | Very high | 97.1 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 16% | 0.159 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.4 | -33.4 | -177.7 | -60.3 | -50.1 | -36.9 | 0 | 0 | 112 | E278 G279 R284 S285 I286 D406 P407 L409 | E278-Q282 HydrophobicContact CB-CB 3.91Å; G279-Q282 PolarHBondContact O-N 3.07Å; Q282-R284 VanDerWaalsContact C-N 3.28Å; Q282-R284 PolarHBondContact O-N 3.14Å; Q282-S285 WeakPolarHBondContact O-CB 3.35Å; Q282-S285 PolarHBondContact O-N 2.86Å; Q282-S285 VanDerWaalsContact O-N 3.14Å; Q282-I286 WeakPolarHBondContact O-CG1 3.17Å; Q282-I286 PolarHBondContact O-N 3.38Å; Q282-D406 PolarHBondContact NE2-O 2.98Å; Q282-D406 VanDerWaalsContact NE2-O 3.11Å; Q282-P407 PolarHBondContact NE2-O 3.25Å; Q282-L409 PolarHBondContact NE2-O 3.46Å |
| 283 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -35 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V214 I245 D247 G279 I286 G287 | V214-A283 HydrophobicContact CG1-CB 3.56Å; V214-A283 HydrophobicContact CG2-CB 4.09Å; I245-A283 HydrophobicContact CG2-CB 4.09Å; D247-A283 HydrophobicContact CB-CB 4.04Å; G279-A283 WeakPolarHBondContact O-CB 3.47Å; G279-A283 PolarHBondContact O-N 2.94Å; A283-I286 PolarHBondContact O-N 2.97Å; A283-G287 PolarHBondContact O-N 2.71Å |
| 284 | R | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -42.4 | 171.5 | -76.1 | -173.6 | -177.3 | 147 | 3.3 | 112 | V214 L280 I281 Q282 G287 A288 Y299 D301 G389 G390 Y405 E415 | V214-R284 HydrophobicContact CG2-CB 4.39Å; V214-R284 HydrophobicContact CG2-CG 3.65Å; L280-R284 WeakPolarHBondContact O-CG 3.42Å; L280-R284 PolarHBondContact O-N 3.08Å; I281-R284 WeakPolarHBondContact O-CB 3.44Å; I281-R284 PolarHBondContact O-N 3.07Å; Q282-R284 VanDerWaalsContact C-N 3.28Å; Q282-R284 PolarHBondContact O-N 3.14Å; R284-G287 WeakPolarHBondContact O-CA 3.33Å; R284-G287 PolarHBondContact O-N 3.24Å; R284-G287 VanDerWaalsContact O-N 3.13Å; R284-A288 PolarHBondContact O-N 2.76Å; R284-Y299 HydrophobicContact CB-CD1 4.1Å; R284-Y299 HydrophobicContact CB-CE1 3.52Å; R284-Y299 HydrophobicContact CG-CD1 3.68Å; R284-Y299 HydrophobicContact CG-CE1 3.62Å; R284-Y299 PolarHBondContact O-OH 3.35Å; R284-D301 IonicContact NH2-OD1 3.57Å; R284-D301 PolarHBondContact NH2-OD1 2.93Å; R284-G389 PolarHBondContact NH1-O 2.92Å; R284-G390 PolarHBondContact NH2-O 3.29Å; R284-Y405 HydrophobicContact CB-CD2 4.39Å; R284-Y405 HydrophobicContact CB-CE2 4.01Å; R284-E415 IonicContact NH1-OE1 3.62Å |
| 285 | S | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 174.7 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | I281 Q282 G287 A288 Q289 | I281-S285 PolarHBondContact O-N 2.94Å; Q282-S285 WeakPolarHBondContact O-CB 3.35Å; Q282-S285 PolarHBondContact O-N 2.86Å; Q282-S285 VanDerWaalsContact O-N 3.14Å; S285-G287 VanDerWaalsContact C-N 3.3Å; S285-G287 PolarHBondContact O-N 2.91Å; S285-A288 WeakPolarHBondContact O-CB 3.45Å; S285-A288 PolarHBondContact O-N 3.29Å; S285-Q289 WeakPolarHBondContact O-CG 3.46Å; S285-Q289 PolarHBondContact O-N 2.91Å |
| 286 | I | 98.7 | Very high | 97.2 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 16% | 0.164 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 171.9 | -67.9 | 165 | 0 | 0 | 0 | 110.1 | E278 Q282 A283 A288 Q289 K290 | E278-I286 HydrophobicContact CB-CD1 4.27Å; E278-I286 HydrophobicContact CG-CD1 3.72Å; Q282-I286 WeakPolarHBondContact O-CG1 3.17Å; Q282-I286 PolarHBondContact O-N 3.38Å; A283-I286 PolarHBondContact O-N 2.97Å; I286-A288 VanDerWaalsContact C-N 3.35Å; I286-A288 PolarHBondContact O-N 3.09Å; I286-Q289 WeakPolarHBondContact O-CB 3.27Å; I286-Q289 PolarHBondContact O-N 2.84Å; I286-K290 HydrophobicContact CG2-CG 4.04Å; I286-K290 WeakPolarHBondContact O-CG 3.27Å; I286-K290 PolarHBondContact O-N 2.77Å |
| 287 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.6 | -45.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A283 R284 S285 Q289 K290 A291 | A283-G287 PolarHBondContact O-N 2.71Å; R284-G287 WeakPolarHBondContact O-CA 3.33Å; R284-G287 PolarHBondContact O-N 3.24Å; R284-G287 VanDerWaalsContact O-N 3.13Å; S285-G287 VanDerWaalsContact C-N 3.3Å; S285-G287 PolarHBondContact O-N 2.91Å; G287-Q289 VanDerWaalsContact C-N 3.27Å; G287-Q289 PolarHBondContact O-N 3.13Å; G287-K290 PolarHBondContact O-N 2.7Å; G287-A291 VanDerWaalsContact O-CB 3.25Å; G287-A291 WeakPolarHBondContact O-CB 3.35Å; G287-A291 PolarHBondContact O-N 3.33Å |
| 288 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -36.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | R284 S285 I286 L297 Y299 R396 F399 F400 L404 | R284-A288 PolarHBondContact O-N 2.76Å; S285-A288 WeakPolarHBondContact O-CB 3.45Å; S285-A288 PolarHBondContact O-N 3.29Å; I286-A288 VanDerWaalsContact C-N 3.35Å; I286-A288 PolarHBondContact O-N 3.09Å; A288-L297 HydrophobicContact CB-CD1 3.55Å; A288-Y299 WeakPolarHBondContact CB-OH 3.38Å; A288-Y299 PolarHBondContact N-OH 3Å; A288-R396 PolarHBondContact O-NH2 2.74Å; A288-F399 HydrophobicContact CB-CD1 4.44Å; A288-F400 HydrophobicContact CB-CE2 4.23Å; A288-F400 HydrophobicContact CB-CZ 4.06Å; A288-F400 WeakPolarHBondContact O-CZ 3.47Å; A288-L404 HydrophobicContact CB-CD1 4.49Å; A288-L404 HydrophobicContact CB-CD2 3.88Å |
| 289 | Q | 98.4 | Very high | 97.8 | Very high | 100 Ų | 100 | 31.7 Ų | 31.7 | 47% | 0.467 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -74 | -36.2 | 179 | -64.7 | 171.8 | -4.1 | 0 | 0 | 112.5 | S285 I286 G287 K292 F400 | S285-Q289 WeakPolarHBondContact O-CG 3.46Å; S285-Q289 PolarHBondContact O-N 2.91Å; I286-Q289 WeakPolarHBondContact O-CB 3.27Å; I286-Q289 PolarHBondContact O-N 2.84Å; G287-Q289 VanDerWaalsContact C-N 3.27Å; G287-Q289 PolarHBondContact O-N 3.13Å; Q289-K292 WeakPolarHBondContact O-CE 3.2Å; Q289-F400 HydrophobicContact CG-CE1 4.11Å; Q289-F400 HydrophobicContact CG-CZ 4.17Å |
| 290 | K | 98.5 | Very high | 98.1 | Very high | 97 Ų | 97 | 31.8 Ų | 31.8 | 42% | 0.422 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -80.8 | -32.8 | -179.4 | -62.7 | -66.4 | -177.7 | 179.2 | 0 | 112.7 | V243 I245 F272 I286 G287 K292 | V243-K290 HydrophobicContact CG1-CB 4.39Å; I245-K290 HydrophobicContact CD1-CB 4.43Å; I245-K290 HydrophobicContact CD1-CG 4.48Å; F272-K290 HydrophobicContact CD1-CD 4.09Å; F272-K290 HydrophobicContact CD1-CG 4.49Å; F272-K290 HydrophobicContact CD2-CB 3.95Å; F272-K290 HydrophobicContact CD2-CG 4.33Å; F272-K290 HydrophobicContact CE1-CD 4.31Å; F272-K290 HydrophobicContact CE2-CB 3.99Å; F272-K290 HydrophobicContact CG-CB 4.33Å; F272-K290 HydrophobicContact CG-CD 4.3Å; F272-K290 HydrophobicContact CG-CG 4.21Å; F272-K290 HydrophobicContact CZ-CB 4.41Å; I286-K290 HydrophobicContact CG2-CG 4.04Å; I286-K290 WeakPolarHBondContact O-CG 3.27Å; I286-K290 PolarHBondContact O-N 2.77Å; G287-K290 PolarHBondContact O-N 2.7Å; K290-K292 PolarHBondContact O-N 2.62Å |
| 291 | A | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -74.9 | 109.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V212 V243 G287 L297 R396 | V212-A291 HydrophobicContact CG2-CB 3.89Å; V243-A291 HydrophobicContact CB-CB 4.47Å; V243-A291 HydrophobicContact CG2-CB 3.93Å; G287-A291 VanDerWaalsContact O-CB 3.25Å; G287-A291 WeakPolarHBondContact O-CB 3.35Å; G287-A291 PolarHBondContact O-N 3.33Å; A291-L297 HydrophobicContact CB-CD2 3.71Å; A291-R396 PolarHBondContact O-NE 2.71Å | ||
| 292 | K | 94.7 | Very high | 98.3 | Very high | 153 Ų | 153 | 31.2 Ų | 31.2 | 67% | 0.665 | 15% | 0.149 | S | C | * | . | trans | -121.2 | -13.9 | -170.3 | -68.2 | -176.1 | -178.9 | -175.1 | 0 | 113.7 | E241 Q289 K290 | E241-K292 PolarHBondContact OE1-N 3.02Å; Q289-K292 WeakPolarHBondContact O-CE 3.2Å; K290-K292 PolarHBondContact O-N 2.62Å | ||
| 293 | L | 98.1 | Very high | 98.4 | Very high | 103 Ų | 103 | 30.6 Ų | 30.6 | 54% | 0.539 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -92.4 | -33.5 | -171.1 | -57.3 | -176.3 | 0 | 0 | 0 | 113.5 | A240 E241 | A240-L293 HydrophobicContact CB-CB 3.97Å; E241-L293 HydrophobicContact CB-CD1 4.28Å; E241-L293 HydrophobicContact CG-CB 4.09Å; E241-L293 HydrophobicContact CG-CD1 4.29Å; E241-L293 HydrophobicContact CG-CG 4.38Å; E241-L293 WeakPolarHBondContact OE1-CB 3.26Å; E241-L293 WeakPolarHBondContact OE1-CG 3.34Å; E241-L293 PolarHBondContact OE1-N 2.81Å |
| 294 | G | 98.3 | Very high | 98.4 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | trans | -84.7 | 148.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S210 | S210-G294 WeakPolarHBondContact OG-CA 3.26Å; S210-G294 PolarHBondContact OG-N 3.19Å | ||
| 295 | Q | 98.8 | Very high | 98.4 | Very high | 87 Ų | 87 | 30.8 Ų | 30.8 | 41% | 0.407 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -78.9 | -29.3 | 173.8 | -63.1 | 167.9 | -80.3 | 0 | 0 | 111.8 | L207 T208 R396 | L207-Q295 HydrophobicContact CB-CB 4.23Å; L207-Q295 HydrophobicContact CD2-CB 4.18Å; L207-Q295 VanDerWaalsContact CD2-NE2 3.34Å; T208-Q295 PolarHBondContact O-N 3.42Å; T208-Q295 PolarHBondContact OG1-OE1 2.74Å; Q295-R396 VanDerWaalsContact O-CB 3.3Å; Q295-R396 WeakPolarHBondContact O-CB 3.42Å; Q295-R396 PolarHBondContact O-N 3.44Å |
| 296 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.6 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 109.1 | L207 T208 S209 S210 I298 V315 I318 A393 I394 | L207-V296 HydrophobicContact CB-CG2 3.76Å; L207-V296 HydrophobicContact CD1-CG2 3.67Å; L207-V296 HydrophobicContact CG-CG2 4.37Å; T208-V296 PolarHBondContact O-N 2.96Å; S209-V296 CarbonylContact C-O 3.54Å; S209-V296 WeakPolarHBondContact CA-O 3.16Å; S210-V296 PolarHBondContact N-O 3.24Å; V296-I298 HydrophobicContact CG1-CG1 4.18Å; V296-V315 HydrophobicContact CG2-CG1 4.3Å; V296-I318 HydrophobicContact CG1-CD1 3.85Å; V296-I318 HydrophobicContact CG2-CG2 4.01Å; V296-A393 HydrophobicContact CG1-CB 4.02Å; V296-I394 WeakPolarHBondContact CA-O 3.4Å; V296-I394 WeakPolarHBondContact CG1-O 3.26Å |
| 297 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 125.4 | 168.6 | -64.6 | 174.6 | 0 | 0 | 0 | 108.3 | V212 A288 A291 Y299 A393 I394 R396 F399 | V212-L297 HydrophobicContact CG2-CD2 4.26Å; A288-L297 HydrophobicContact CB-CD1 3.55Å; A291-L297 HydrophobicContact CB-CD2 3.71Å; L297-Y299 HydrophobicContact CB-CE2 4Å; L297-Y299 HydrophobicContact CD1-CE2 4.39Å; L297-A393 VanDerWaalsContact O-CA 3.25Å; L297-A393 WeakPolarHBondContact O-CA 3Å; L297-I394 HydrophobicContact CB-CG2 4.42Å; L297-I394 PolarHBondContact N-O 2.99Å; L297-I394 PolarHBondContact O-N 2.89Å; L297-R396 HydrophobicContact CD1-CB 4.37Å; L297-R396 HydrophobicContact CD1-CG 3.98Å; L297-R396 HydrophobicContact CD2-CG 4.29Å; L297-R396 HydrophobicContact CG-CB 4.01Å; L297-R396 HydrophobicContact CG-CG 3.95Å; L297-F399 HydrophobicContact CD1-CD1 3.93Å |
| 298 | I | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 116.5 | 171.2 | -53.5 | 177.6 | 0 | 0 | 0 | 108.3 | S209 S210 V211 V212 V296 W310 Y311 L314 V315 F392 A393 | S209-I298 WeakPolarHBondContact OG-CD1 3.46Å; S210-I298 PolarHBondContact O-N 3.39Å; V211-I298 CarbonylContact C-O 3.56Å; V211-I298 VanDerWaalsContact CA-O 3.28Å; V211-I298 WeakPolarHBondContact CA-O 3.35Å; V211-I298 HydrophobicContact CG2-CB 4.26Å; V212-I298 PolarHBondContact N-O 3.03Å; V296-I298 HydrophobicContact CG1-CG1 4.18Å; I298-W310 HydrophobicContact CD1-CH2 4.04Å; I298-W310 HydrophobicContact CD1-CZ3 4.48Å; I298-W310 HydrophobicContact CG2-CH2 3.73Å; I298-W310 HydrophobicContact CG2-CZ3 3.82Å; I298-Y311 HydrophobicContact CD1-CD2 4Å; I298-Y311 HydrophobicContact CD1-CE2 3.71Å; I298-L314 HydrophobicContact CD1-CD2 4.37Å; I298-L314 HydrophobicContact CG2-CD2 4.24Å; I298-V315 HydrophobicContact CD1-CG2 4.17Å; I298-F392 CarbonylContact C-O 3.55Å; I298-F392 WeakPolarHBondContact CA-O 3.42Å; I298-A393 HydrophobicContact CB-CB 4.42Å; I298-A393 HydrophobicContact CG1-CB 3.78Å; I298-A393 HydrophobicContact CG2-CB 4.41Å |
| 299 | Y | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 134.3 | 174.5 | -74.2 | -88.6 | 0 | 0 | 0 | 110.4 | V212 R284 A288 L297 L391 F392 F399 | V212-Y299 HydrophobicContact CB-CD1 3.92Å; V212-Y299 HydrophobicContact CB-CE1 3.78Å; V212-Y299 HydrophobicContact CG1-CD1 4.04Å; V212-Y299 HydrophobicContact CG1-CE1 3.63Å; V212-Y299 HydrophobicContact CG2-CE1 4.43Å; V212-Y299 WeakPolarHBondContact O-CA 3.21Å; R284-Y299 HydrophobicContact CB-CD1 4.1Å; R284-Y299 HydrophobicContact CB-CE1 3.52Å; R284-Y299 HydrophobicContact CG-CD1 3.68Å; R284-Y299 HydrophobicContact CG-CE1 3.62Å; R284-Y299 PolarHBondContact O-OH 3.35Å; A288-Y299 WeakPolarHBondContact CB-OH 3.38Å; A288-Y299 PolarHBondContact N-OH 3Å; L297-Y299 HydrophobicContact CB-CE2 4Å; L297-Y299 HydrophobicContact CD1-CE2 4.39Å; Y299-L391 WeakPolarHBondContact O-CA 3.05Å; Y299-F392 HydrophobicContact CD2-CD1 4.34Å; Y299-F392 HydrophobicContact CD2-CD2 4.47Å; Y299-F392 AromaticContact CD2-CE1 3.65Å; Y299-F392 HydrophobicContact CD2-CE1 3.65Å; Y299-F392 AromaticContact CD2-CE2 3.82Å; Y299-F392 HydrophobicContact CD2-CE2 3.82Å; Y299-F392 AromaticContact CD2-CZ 3.35Å; Y299-F392 HydrophobicContact CD2-CZ 3.35Å; Y299-F392 HydrophobicContact CE2-CE1 4.45Å; Y299-F392 HydrophobicContact CE2-CE2 4.24Å; Y299-F392 AromaticContact CE2-CZ 3.79Å; Y299-F392 HydrophobicContact CE2-CZ 3.79Å; Y299-F392 HydrophobicContact CG-CD1 4.47Å; Y299-F392 AromaticContact CG-CE1 3.85Å; Y299-F392 HydrophobicContact CG-CE1 3.85Å; Y299-F392 HydrophobicContact CG-CZ 4.02Å; Y299-F392 PolarHBondContact N-O 3.29Å; Y299-F392 PolarHBondContact O-N 2.77Å; Y299-F399 HydrophobicContact CE2-CD1 4.32Å; Y299-F399 AromaticContact CE2-CE1 3.84Å; Y299-F399 HydrophobicContact CE2-CE1 3.84Å |
| 300 | L | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.1 | 169.2 | -64 | 177.2 | 0 | 0 | 0 | 109.5 | V211 V212 I213 V230 V306 W310 L391 V438 | V211-L300 HydrophobicContact CG1-CD1 3.72Å; V211-L300 HydrophobicContact CG1-CG 4.08Å; V212-L300 PolarHBondContact O-N 3.27Å; V212-L300 VanDerWaalsContact O-N 3.09Å; I213-L300 WeakPolarHBondContact CA-O 3.49Å; I213-L300 HydrophobicContact CG1-CB 4.12Å; V230-L300 HydrophobicContact CG2-CD1 3.49Å; V230-L300 VanDerWaalsContact CG2-CD1 3.49Å; L300-V306 HydrophobicContact CD1-CG1 3.87Å; L300-W310 HydrophobicContact CD1-CH2 4.2Å; L300-W310 HydrophobicContact CD2-CZ3 4.35Å; L300-L391 HydrophobicContact CB-CD2 4.34Å; L300-L391 HydrophobicContact CD2-CB 4.47Å; L300-L391 HydrophobicContact CD2-CD2 3.96Å; L300-V438 HydrophobicContact CD2-CG1 4.19Å; L300-V438 HydrophobicContact CD2-CG2 4.39Å |
| 301 | D | 98.4 | Very high | 98.5 | Very high | 26 Ų | 26 | 22.1 Ų | 22.1 | 14% | 0.139 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 153.4 | 166.9 | -71.4 | -20.1 | 0 | 0 | 0 | 109.6 | R284 H303 C304 G390 L391 H440 | R284-D301 IonicContact NH2-OD1 3.57Å; R284-D301 PolarHBondContact NH2-OD1 2.93Å; D301-H303 PolarHBondContact O-N 2.96Å; D301-C304 PolarHBondContact O-SG 2.93Å; D301-G390 WeakPolarHBondContact OD2-CA 3.48Å; D301-L391 HydrophobicContact CB-CD2 4.19Å; D301-H440 IonicContact OD2-CD2 2.69Å; D301-H440 IonicContact OD2-NE2 2.87Å; D301-H440 PolarHBondContact OD2-NE2 2.78Å |
| 302 | A | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -72.6 | 4.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I213 F215 E218 T222 L223 T226 | I213-A302 HydrophobicContact CG2-CB 3.72Å; F215-A302 HydrophobicContact CB-CB 3.66Å; E218-A302 HydrophobicContact CB-CB 4.33Å; E218-A302 HydrophobicContact CG-CB 3.73Å; T222-A302 CarbonylContact C-O 3.4Å; L223-A302 VanDerWaalsContact CA-O 3.22Å; L223-A302 WeakPolarHBondContact CA-O 3.43Å; L223-A302 HydrophobicContact CD1-CB 3.79Å; L223-A302 PolarHBondContact N-O 3.23Å; T226-A302 VanDerWaalsContact OG1-C 3.3Å; T226-A302 PolarHBondContact OG1-O 3.44Å |
| 303 | H | 98.7 | Very high | 98.7 | Very high | 20 Ų | 20 | 15 Ų | 15 | 9% | 0.093 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -134.8 | 57.9 | 179.1 | 39.8 | -98.2 | 0 | 0 | 0 | 109.7 | F175 E218 T226 D301 H440 I441 | F175-H303 HydrophobicContact CE2-CB 4.27Å; F175-H303 HydrophobicContact CZ-CB 4.33Å; F175-H303 AromaticContact CZ-CG 3.84Å; F175-H303 AromaticContact CZ-ND1 3.92Å; E218-H303 VanDerWaalsContact CD-ND1 3.29Å; E218-H303 IonicContact OE1-ND1 2.93Å; E218-H303 PolarHBondContact OE1-ND1 3.26Å; E218-H303 IonicContact OE2-CE1 2.71Å; E218-H303 PolarHBondContact OE2-CE1 3.38Å; E218-H303 IonicContact OE2-CG 2.82Å; E218-H303 IonicContact OE2-ND1 2.7Å; E218-H303 PolarHBondContact OE2-ND1 3.44Å; T226-H303 PolarHBondContact OG1-N 3.07Å; D301-H303 PolarHBondContact O-N 2.96Å; H303-H440 AromaticContact CD2-CD2 3.95Å; H303-H440 AromaticContact CD2-CE1 3.86Å; H303-H440 AromaticContact CD2-NE2 3.5Å; H303-H440 PolarHBondContact CD2-NE2 2.78Å; H303-H440 AromaticContact NE2-CE1 3.73Å; H303-H440 AromaticContact NE2-NE2 3.27Å; H303-H440 PolarHBondContact NE2-NE2 2.94Å; H303-I441 HydrophobicContact CB-CB 4.15Å; H303-I441 HydrophobicContact CB-CD1 3.94Å; H303-I441 HydrophobicContact CB-CG1 4.16Å; H303-I441 WeakPolarHBondContact O-CG1 3.49Å; H303-I441 PolarHBondContact O-N 3.13Å |
| 304 | C | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.007 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 157.3 | 179.9 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | T226 D301 L391 V438 G439 | T226-C304 WeakPolarHBondContact CA-O 3.45Å; T226-C304 WeakPolarHBondContact CB-O 3.21Å; T226-C304 HydrophobicContact CG2-CB 4.02Å; T226-C304 PolarHBondContact OG1-N 3.43Å; T226-C304 PolarHBondContact OG1-O 3.37Å; D301-C304 PolarHBondContact O-SG 2.93Å; C304-L391 VanDerWaalsContact SG-CD2 3.51Å; C304-V438 HydrophobicContact CB-CG1 3.79Å; C304-G439 CarbonylContact C-O 3.5Å; C304-G439 WeakPolarHBondContact CA-O 3.3Å; C304-G439 WeakPolarHBondContact CB-O 3.3Å |
| 305 | E | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 9.9 Ų | 9.9 | 3% | 0.028 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 114.6 | 168 | -67.1 | 178.2 | -124.4 | 0 | 0 | 109.4 | R187 R225 I333 G439 | R187-E305 IonicContact CZ-OE1 3.17Å; R187-E305 IonicContact CZ-OE2 3.47Å; R187-E305 IonicContact NE-OE1 3.49Å; R187-E305 PolarHBondContact NE-OE1 2.78Å; R187-E305 IonicContact NE-OE2 3.66Å; R187-E305 PolarHBondContact NE-OE2 2.82Å; R187-E305 VanDerWaalsContact NH2-CD 3.33Å; R187-E305 IonicContact NH2-OE1 2.79Å; R187-E305 PolarHBondContact NH2-OE1 3Å; R187-E305 IonicContact NH2-OE2 2.87Å; R187-E305 PolarHBondContact NH2-OE2 2.98Å; R225-E305 VanDerWaalsContact CD-CD 3.41Å; R225-E305 VanDerWaalsContact CD-OE1 3.24Å; R225-E305 WeakPolarHBondContact CD-OE1 3.46Å; R225-E305 HydrophobicContact CG-CG 4.16Å; E305-I333 HydrophobicContact CB-CD1 3.87Å; E305-I333 HydrophobicContact CG-CD1 3.9Å; E305-G439 PolarHBondContact N-O 3.06Å; E305-G439 PolarHBondContact O-N 3.2Å |
| 306 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.006 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 142.7 | -178.8 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | S229 V230 R233 L300 W310 V438 | S229-V306 VanDerWaalsContact O-CG2 3.29Å; S229-V306 WeakPolarHBondContact O-CG2 3.49Å; S229-V306 PolarHBondContact OG-N 2.79Å; V230-V306 HydrophobicContact CG2-CG1 4.04Å; R233-V306 HydrophobicContact CB-CG2 4.09Å; R233-V306 WeakPolarHBondContact CD-O 3.2Å; R233-V306 PolarHBondContact NH1-O 3.33Å; L300-V306 HydrophobicContact CD1-CG1 3.87Å; V306-W310 HydrophobicContact CB-CD2 3.84Å; V306-W310 HydrophobicContact CB-CE3 4.45Å; V306-W310 HydrophobicContact CB-CG 3.83Å; V306-W310 HydrophobicContact CG1-CD2 3.94Å; V306-W310 HydrophobicContact CG1-CE3 4.17Å; V306-W310 HydrophobicContact CG1-CG 4.46Å; V306-W310 HydrophobicContact CG1-CH2 4.21Å; V306-W310 HydrophobicContact CG1-CZ2 4.02Å; V306-W310 HydrophobicContact CG1-CZ3 4.29Å; V306-W310 HydrophobicContact CG2-CD2 4.42Å; V306-W310 HydrophobicContact CG2-CG 4.29Å; V306-V438 HydrophobicContact CB-CG2 4.43Å; V306-V438 HydrophobicContact CG1-CG1 4.22Å; V306-V438 HydrophobicContact CG1-CG2 4.06Å |
| 307 | A | 98.9 | Very high | 98.8 | Very high | 13 Ų | 13 | 6.8 Ų | 6.8 | 11% | 0.107 | 4% | 0.04 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 170.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W310 R437 | A307-W310 WeakPolarHBondContact O-CB 3.43Å; A307-R437 HydrophobicContact CB-CB 3.97Å; A307-R437 WeakPolarHBondContact CB-O 3.41Å; A307-R437 PolarHBondContact N-O 2.83Å |
| 308 | V | 98.6 | Very high | 98.8 | Very high | 25 Ų | 25 | 6.8 Ų | 6.8 | 15% | 0.152 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 137.3 | 172.5 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | P137 R193 W310 | P137-V308 HydrophobicContact CG-CG1 3.29Å; R193-V308 PolarHBondContact NH1-O 2.77Å; V308-W310 PolarHBondContact O-N 2.63Å |
| 309 | N | 98.6 | Very high | 98.8 | Very high | 15 Ų | 15 | 6.7 Ų | 6.7 | 8% | 0.08 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 37.3 | 179.7 | -172.6 | 22.4 | 0 | 0 | 0 | 113.3 | F135 Y311 P313 | F135-N309 VanDerWaalsContact CB-OD1 3.26Å; F135-N309 WeakPolarHBondContact CB-OD1 3.36Å; N309-Y311 VanDerWaalsContact C-N 3.34Å; N309-P313 WeakPolarHBondContact O-CD 3.37Å; N309-P313 WeakPolarHBondContact O-CG 3.5Å |
| 310 | W | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | trans | -70.6 | -29.6 | 178 | 77.6 | -70.7 | 0 | 0 | 0 | 112.9 | T234 I298 L300 V306 A307 V308 L314 S436 V438 | T234-W310 PolarHBondContact OG1-NE1 2.62Å; I298-W310 HydrophobicContact CD1-CH2 4.04Å; I298-W310 HydrophobicContact CD1-CZ3 4.48Å; I298-W310 HydrophobicContact CG2-CH2 3.73Å; I298-W310 HydrophobicContact CG2-CZ3 3.82Å; L300-W310 HydrophobicContact CD1-CH2 4.2Å; L300-W310 HydrophobicContact CD2-CZ3 4.35Å; V306-W310 HydrophobicContact CB-CD2 3.84Å; V306-W310 HydrophobicContact CB-CE3 4.45Å; V306-W310 HydrophobicContact CB-CG 3.83Å; V306-W310 HydrophobicContact CG1-CD2 3.94Å; V306-W310 HydrophobicContact CG1-CE3 4.17Å; V306-W310 HydrophobicContact CG1-CG 4.46Å; V306-W310 HydrophobicContact CG1-CH2 4.21Å; V306-W310 HydrophobicContact CG1-CZ2 4.02Å; V306-W310 HydrophobicContact CG1-CZ3 4.29Å; V306-W310 HydrophobicContact CG2-CD2 4.42Å; V306-W310 HydrophobicContact CG2-CG 4.29Å; A307-W310 WeakPolarHBondContact O-CB 3.43Å; V308-W310 PolarHBondContact O-N 2.63Å; W310-L314 HydrophobicContact CE3-CD2 3.82Å; W310-L314 HydrophobicContact CZ3-CD2 3.58Å; W310-L314 WeakPolarHBondContact O-CB 3.28Å; W310-S436 VanDerWaalsContact O-CB 3.25Å; W310-S436 WeakPolarHBondContact O-CB 3.3Å; W310-S436 PolarHBondContact O-OG 2.62Å; W310-V438 HydrophobicContact CE3-CG2 4Å; W310-V438 HydrophobicContact CZ3-CG2 4.44Å | ||
| 311 | Y | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 0% | 0.004 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -73.1 | -54.7 | -168 | -174.8 | -90.5 | 0 | 0 | 0 | 114.2 | L206 L207 S209 T234 Y238 I298 N309 L314 V315 | L206-Y311 HydrophobicContact CB-CE1 4.43Å; L206-Y311 HydrophobicContact CD1-CD1 4.25Å; L206-Y311 HydrophobicContact CD1-CE1 4.25Å; L207-Y311 PolarHBondContact O-OH 3.46Å; S209-Y311 WeakPolarHBondContact CB-OH 3.48Å; S209-Y311 PolarHBondContact N-OH 3.26Å; S209-Y311 WeakPolarHBondContact OG-CE2 3.5Å; S209-Y311 PolarHBondContact OG-OH 2.84Å; T234-Y311 HydrophobicContact CG2-CD2 3.67Å; T234-Y311 HydrophobicContact CG2-CE2 4.21Å; T234-Y311 HydrophobicContact CG2-CG 3.97Å; Y238-Y311 VanDerWaalsContact CB-CZ 3.47Å; Y238-Y311 HydrophobicContact CD1-CE1 4.38Å; Y238-Y311 HydrophobicContact CD2-CD1 4.17Å; Y238-Y311 HydrophobicContact CD2-CE1 4.02Å; Y238-Y311 HydrophobicContact CG-CD1 4.31Å; Y238-Y311 AromaticContact CG-CE1 3.69Å; Y238-Y311 HydrophobicContact CG-CE1 3.69Å; Y238-Y311 PolarHBondContact O-OH 3.04Å; I298-Y311 HydrophobicContact CD1-CD2 4Å; I298-Y311 HydrophobicContact CD1-CE2 3.71Å; N309-Y311 VanDerWaalsContact C-N 3.34Å; Y311-L314 WeakPolarHBondContact O-CB 3.46Å; Y311-L314 PolarHBondContact O-N 3.37Å; Y311-L314 VanDerWaalsContact O-N 3.1Å; Y311-V315 HydrophobicContact CD1-CG2 4.38Å; Y311-V315 HydrophobicContact CD2-CG2 4.19Å; Y311-V315 HydrophobicContact CE1-CB 4.1Å; Y311-V315 HydrophobicContact CE1-CG1 4.39Å; Y311-V315 HydrophobicContact CE1-CG2 3.98Å; Y311-V315 HydrophobicContact CE2-CG2 3.8Å; Y311-V315 HydrophobicContact CG-CG2 4.47Å; Y311-V315 PolarHBondContact O-N 2.83Å |
| 312 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.2 | -50.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F135 Y202 L206 L314 V315 A316 | F135-A312 HydrophobicContact CB-CB 4.36Å; F135-A312 HydrophobicContact CD1-CB 3.73Å; F135-A312 HydrophobicContact CD2-CB 4.19Å; F135-A312 HydrophobicContact CE1-CB 3.9Å; F135-A312 HydrophobicContact CE2-CB 4.39Å; F135-A312 HydrophobicContact CG-CB 3.86Å; F135-A312 HydrophobicContact CZ-CB 4.24Å; Y202-A312 HydrophobicContact CD1-CB 4.26Å; Y202-A312 HydrophobicContact CD2-CB 4.02Å; Y202-A312 HydrophobicContact CE2-CB 4.4Å; Y202-A312 HydrophobicContact CG-CB 3.96Å; L206-A312 HydrophobicContact CD1-CB 3.82Å; A312-L314 VanDerWaalsContact C-N 3.26Å; A312-L314 PolarHBondContact O-N 2.79Å; A312-V315 PolarHBondContact O-N 3.42Å; A312-A316 WeakPolarHBondContact O-CB 3.4Å; A312-A316 PolarHBondContact O-N 2.77Å |
| 313 | P | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 12.9 Ų | 12.9 | 3% | 0.026 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.5 | -33.9 | 175.3 | 18.9 | -29.6 | 0 | 0 | 0 | 113.3 | Y202 N309 P317 V433 C435 | Y202-P313 HydrophobicContact CE1-CB 4.16Å; Y202-P313 WeakPolarHBondContact OH-CB 3.3Å; N309-P313 WeakPolarHBondContact O-CD 3.37Å; N309-P313 WeakPolarHBondContact O-CG 3.5Å; P313-P317 WeakPolarHBondContact O-CD 3.44Å; P313-V433 HydrophobicContact CB-CG1 3.71Å; P313-V433 VanDerWaalsContact O-CG1 3.28Å; P313-V433 WeakPolarHBondContact O-CG1 3Å; P313-C435 HydrophobicContact CB-CB 3.79Å; P313-C435 HydrophobicContact CG-CB 4.02Å; P313-C435 WeakPolarHBondContact CG-O 3.22Å |
| 314 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -69.9 | -44.4 | -179.5 | -169.6 | 66.7 | 0 | 0 | 0 | 111.7 | I298 W310 Y311 A312 P317 T326 P328 A393 V433 | I298-L314 HydrophobicContact CD1-CD2 4.37Å; I298-L314 HydrophobicContact CG2-CD2 4.24Å; W310-L314 HydrophobicContact CE3-CD2 3.82Å; W310-L314 HydrophobicContact CZ3-CD2 3.58Å; W310-L314 WeakPolarHBondContact O-CB 3.28Å; Y311-L314 WeakPolarHBondContact O-CB 3.46Å; Y311-L314 PolarHBondContact O-N 3.37Å; Y311-L314 VanDerWaalsContact O-N 3.1Å; A312-L314 VanDerWaalsContact C-N 3.26Å; A312-L314 PolarHBondContact O-N 2.79Å; L314-P317 WeakPolarHBondContact O-CD 3.35Å; L314-T326 WeakPolarHBondContact CD1-OG1 3.36Å; L314-T326 WeakPolarHBondContact O-CB 3.47Å; L314-T326 WeakPolarHBondContact O-CG2 3.14Å; L314-T326 PolarHBondContact O-OG1 3.29Å; L314-P328 HydrophobicContact CD1-CB 4.35Å; L314-A393 HydrophobicContact CD1-CB 4.44Å; L314-A393 HydrophobicContact CD2-CB 3.89Å; L314-A393 HydrophobicContact CG-CB 3.89Å; L314-V433 HydrophobicContact CD1-CG2 4.42Å |
| 315 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -92.2 | -20 | -170.9 | 179.2 | 0 | 0 | 0 | 0 | 113.2 | L207 V296 I298 Y311 A312 I318 S319 | L207-V315 HydrophobicContact CB-CG1 4Å; V296-V315 HydrophobicContact CG2-CG1 4.3Å; I298-V315 HydrophobicContact CD1-CG2 4.17Å; Y311-V315 HydrophobicContact CD1-CG2 4.38Å; Y311-V315 HydrophobicContact CD2-CG2 4.19Å; Y311-V315 HydrophobicContact CE1-CB 4.1Å; Y311-V315 HydrophobicContact CE1-CG1 4.39Å; Y311-V315 HydrophobicContact CE1-CG2 3.98Å; Y311-V315 HydrophobicContact CE2-CG2 3.8Å; Y311-V315 HydrophobicContact CG-CG2 4.47Å; Y311-V315 PolarHBondContact O-N 2.83Å; A312-V315 PolarHBondContact O-N 3.42Å; V315-I318 PolarHBondContact O-N 3.46Å; V315-S319 PolarHBondContact O-N 2.89Å; V315-S319 PolarHBondContact O-OG 2.76Å |
| 316 | A | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 3% | 0.033 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -57.1 | -44.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y122 Y202 L206 A312 I318 S319 K320 | Y122-A316 HydrophobicContact CE1-CB 3.76Å; Y122-A316 WeakPolarHBondContact OH-CB 3.48Å; Y202-A316 HydrophobicContact CD1-CB 3.97Å; Y202-A316 HydrophobicContact CE1-CB 4.41Å; L206-A316 HydrophobicContact CD2-CB 3.96Å; A312-A316 WeakPolarHBondContact O-CB 3.4Å; A312-A316 PolarHBondContact O-N 2.77Å; A316-I318 VanDerWaalsContact C-N 3.34Å; A316-I318 PolarHBondContact O-N 3.3Å; A316-S319 WeakPolarHBondContact O-CB 3.46Å; A316-S319 PolarHBondContact O-N 2.05Å; A316-K320 PolarHBondContact O-N 3.29Å |
| 317 | P | 98.9 | Very high | 98.8 | Very high | 18 Ų | 18 | 12.2 Ų | 12.2 | 12% | 0.117 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 177.1 | -23.6 | 35.3 | 0 | 0 | 0 | 112.6 | P313 L314 S319 K320 D321 I324 T326 P381 L431 | P313-P317 WeakPolarHBondContact O-CD 3.44Å; L314-P317 WeakPolarHBondContact O-CD 3.35Å; P317-S319 VanDerWaalsContact C-N 3.33Å; P317-S319 PolarHBondContact O-N 3.2Å; P317-K320 PolarHBondContact O-N 3.34Å; P317-D321 PolarHBondContact O-N 2.94Å; P317-I324 HydrophobicContact CB-CD1 4.32Å; P317-I324 HydrophobicContact CB-CG2 3.98Å; P317-T326 HydrophobicContact CB-CG2 3.8Å; P317-T326 HydrophobicContact CG-CG2 3.93Å; P317-P381 HydrophobicContact CG-CG 3.92Å; P317-L431 HydrophobicContact CB-CD1 4.29Å |
| 318 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 177.9 | -47.8 | -178.5 | 0 | 0 | 0 | 110.8 | L207 V296 V315 A316 K320 D321 R322 I324 T326 A393 E395 | L207-I318 HydrophobicContact CD1-CG2 4.18Å; V296-I318 HydrophobicContact CG1-CD1 3.85Å; V296-I318 HydrophobicContact CG2-CG2 4.01Å; V315-I318 PolarHBondContact O-N 3.46Å; A316-I318 VanDerWaalsContact C-N 3.34Å; A316-I318 PolarHBondContact O-N 3.3Å; I318-K320 PolarHBondContact O-N 3.03Å; I318-D321 CarbonylContact O-C 3.52Å; I318-D321 PolarHBondContact O-N 3.42Å; I318-R322 PolarHBondContact O-N 3.15Å; I318-I324 WeakPolarHBondContact CG1-O 3.24Å; I318-T326 HydrophobicContact CD1-CG2 4.32Å; I318-T326 HydrophobicContact CG1-CG2 3.82Å; I318-A393 HydrophobicContact CD1-CB 3.75Å; I318-A393 WeakPolarHBondContact CD1-O 3.39Å; I318-E395 HydrophobicContact CG2-CB 3.74Å |
| 319 | S | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.5 | -35.3 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | Q118 F120 Y122 L207 V315 A316 P317 | Q118-S319 PolarHBondContact NE2-O 3.23Å; F120-S319 VanDerWaalsContact CD1-O 3.31Å; F120-S319 WeakPolarHBondContact CD1-O 3.47Å; Y122-S319 WeakPolarHBondContact CB-O 3.07Å; L207-S319 PolarHBondContact N-OG 3.23Å; V315-S319 PolarHBondContact O-N 2.89Å; V315-S319 PolarHBondContact O-OG 2.76Å; A316-S319 WeakPolarHBondContact O-CB 3.46Å; A316-S319 PolarHBondContact O-N 2.05Å; P317-S319 VanDerWaalsContact C-N 3.33Å; P317-S319 PolarHBondContact O-N 3.2Å |
| 320 | K | 98.4 | Very high | 98.8 | Very high | 95 Ų | 95 | 11.5 Ų | 11.5 | 41% | 0.413 | 6% | 0.058 | S | C | . | . | H | α-helix | trans | -75.7 | -41.4 | 175.7 | 179.1 | 172.3 | 169.2 | -168.5 | 0 | 113.6 | Q118 Y122 D124 A316 P317 I318 | Q118-K320 PolarHBondContact NE2-O 2.88Å; Y122-K320 HydrophobicContact CD1-CB 4.19Å; D124-K320 WeakPolarHBondContact OD1-CD 3.07Å; D124-K320 IonicContact OD1-NZ 2.77Å; D124-K320 PolarHBondContact OD1-NZ 2.8Å; D124-K320 IonicContact OD2-NZ 2.71Å; D124-K320 PolarHBondContact OD2-NZ 3.21Å; A316-K320 PolarHBondContact O-N 3.29Å; P317-K320 PolarHBondContact O-N 3.34Å; I318-K320 PolarHBondContact O-N 3.03Å |
| 321 | D | 98.8 | Very high | 98.8 | Very high | 35 Ų | 35 | 11.7 Ų | 11.7 | 19% | 0.187 | 6% | 0.06 | C | C | . | . | trans | -142 | 105.4 | -175.4 | 174.7 | -2.2 | 0 | 0 | 0 | 108.3 | P317 I318 T323 I324 K429 | P317-D321 PolarHBondContact O-N 2.94Å; I318-D321 CarbonylContact O-C 3.52Å; I318-D321 PolarHBondContact O-N 3.42Å; D321-T323 PolarHBondContact O-N 2.91Å; D321-T323 PolarHBondContact OD1-N 3.45Å; D321-T323 VanDerWaalsContact OD1-N 3.11Å; D321-T323 PolarHBondContact OD1-OG1 3.33Å; D321-I324 HydrophobicContact CB-CD1 3.67Å; D321-I324 HydrophobicContact CB-CG1 3.78Å; D321-I324 WeakPolarHBondContact O-CB 3.29Å; D321-I324 WeakPolarHBondContact O-CG1 3.23Å; D321-I324 PolarHBondContact O-N 2.84Å; D321-K429 IonicContact OD2-NZ 3.6Å; D321-K429 PolarHBondContact OD2-NZ 3.39Å | ||
| 322 | R | 98.7 | Very high | 98.8 | Very high | 10 Ų | 10 | 13.1 Ų | 13.1 | 4% | 0.038 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.6 | -175.5 | 65.5 | 178.9 | -64 | -81.1 | -9.9 | 114.3 | K116 Q118 I318 I324 E395 F398 E401 | K116-R322 WeakPolarHBondContact O-CD 3.47Å; K116-R322 PolarHBondContact O-NH1 3.41Å; Q118-R322 VanDerWaalsContact OE1-CB 3.3Å; Q118-R322 VanDerWaalsContact OE1-CG 3.3Å; I318-R322 PolarHBondContact O-N 3.15Å; R322-I324 VanDerWaalsContact C-N 3.27Å; R322-E395 HydrophobicContact CB-CB 4.26Å; R322-E395 HydrophobicContact CB-CG 4.07Å; R322-E395 IonicContact CZ-OE1 3.82Å; R322-E395 IonicContact CZ-OE2 2.72Å; R322-E395 IonicContact NE-OE1 2.68Å; R322-E395 PolarHBondContact NE-OE1 3.18Å; R322-E395 IonicContact NE-OE2 3.22Å; R322-E395 IonicContact NH2-OE1 3.36Å; R322-E395 PolarHBondContact NH2-OE1 3.29Å; R322-E395 IonicContact NH2-OE2 2.67Å; R322-E395 PolarHBondContact NH2-OE2 3.17Å; R322-E395 WeakPolarHBondContact O-CB 3.24Å; R322-F398 WeakPolarHBondContact O-CD1 3.18Å; R322-E401 IonicContact CZ-OE2 3.66Å; R322-E401 IonicContact NH1-OE1 3.52Å; R322-E401 IonicContact NH1-OE2 2.83Å; R322-E401 PolarHBondContact NH1-OE2 2.77Å; R322-E401 IonicContact NH2-OE2 3.58Å; R322-E401 PolarHBondContact NH2-OE2 3.36Å |
| 323 | T | 98.8 | Very high | 98.7 | Very high | 23 Ų | 23 | 13.1 Ų | 13.1 | 14% | 0.141 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 4.7 | 178.5 | 70.4 | 0 | 0 | 0 | 0 | 113 | D321 F398 G428 K429 | D321-T323 PolarHBondContact O-N 2.91Å; D321-T323 PolarHBondContact OD1-N 3.45Å; D321-T323 VanDerWaalsContact OD1-N 3.11Å; D321-T323 PolarHBondContact OD1-OG1 3.33Å; T323-F398 HydrophobicContact CG2-CD2 4.27Å; T323-F398 HydrophobicContact CG2-CE2 4.08Å; T323-F398 HydrophobicContact CG2-CZ 4.39Å; T323-F398 VanDerWaalsContact O-CE1 3.27Å; T323-F398 WeakPolarHBondContact O-CE1 3.45Å; T323-G428 WeakPolarHBondContact O-CA 3.39Å; T323-K429 PolarHBondContact O-N 3.37Å; T323-K429 VanDerWaalsContact O-N 3.09Å |
| 324 | I | 98.9 | Very high | 98.7 | Very high | 13 Ų | 13 | 15.2 Ų | 15.2 | 7% | 0.067 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 128.5 | 171.4 | -60.2 | -175 | 0 | 0 | 0 | 109.8 | P317 I318 D321 R322 T326 K429 L431 | P317-I324 HydrophobicContact CB-CD1 4.32Å; P317-I324 HydrophobicContact CB-CG2 3.98Å; I318-I324 WeakPolarHBondContact CG1-O 3.24Å; D321-I324 HydrophobicContact CB-CD1 3.67Å; D321-I324 HydrophobicContact CB-CG1 3.78Å; D321-I324 WeakPolarHBondContact O-CB 3.29Å; D321-I324 WeakPolarHBondContact O-CG1 3.23Å; D321-I324 PolarHBondContact O-N 2.84Å; R322-I324 VanDerWaalsContact C-N 3.27Å; I324-T326 HydrophobicContact CG2-CG2 3.79Å; I324-K429 WeakPolarHBondContact CA-O 3.35Å; I324-K429 HydrophobicContact CD1-CD 4.31Å; I324-K429 HydrophobicContact CG1-CB 4.23Å; I324-K429 HydrophobicContact CG1-CD 4.22Å; I324-L431 HydrophobicContact CD1-CD1 4.12Å; I324-L431 HydrophobicContact CG2-CB 4.48Å; I324-L431 HydrophobicContact CG2-CD1 3.68Å; I324-L431 HydrophobicContact CG2-CG 3.91Å |
| 325 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 135.4 | 162.7 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | M387 A393 I394 I423 K429 L430 L431 | C325-M387 VanDerWaalsContact SG-CE 3.59Å; C325-A393 WeakPolarHBondContact CA-O 3.45Å; C325-A393 PolarHBondContact SG-O 3.49Å; C325-I394 HydrophobicContact CB-CB 4.5Å; C325-I394 HydrophobicContact CB-CD1 4.29Å; C325-I394 HydrophobicContact CB-CG1 4.36Å; C325-I423 HydrophobicContact CB-CD1 3.56Å; C325-I423 HydrophobicContact CB-CG1 4.5Å; C325-K429 PolarHBondContact N-O 3.03Å; C325-L430 HydrophobicContact CB-CD1 4.06Å; C325-L430 WeakPolarHBondContact O-CA 3.38Å; C325-L431 PolarHBondContact O-N 3.25Å |
| 326 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.2 | -177.3 | 59.4 | 0 | 0 | 0 | 0 | 111.6 | L314 P317 I318 I324 F392 A393 L431 V433 | L314-T326 WeakPolarHBondContact CD1-OG1 3.36Å; L314-T326 WeakPolarHBondContact O-CB 3.47Å; L314-T326 WeakPolarHBondContact O-CG2 3.14Å; L314-T326 PolarHBondContact O-OG1 3.29Å; P317-T326 HydrophobicContact CB-CG2 3.8Å; P317-T326 HydrophobicContact CG-CG2 3.93Å; I318-T326 HydrophobicContact CD1-CG2 4.32Å; I318-T326 HydrophobicContact CG1-CG2 3.82Å; I324-T326 HydrophobicContact CG2-CG2 3.79Å; T326-F392 CarbonylContact O-C 3.57Å; T326-F392 VanDerWaalsContact O-CA 3.32Å; T326-F392 WeakPolarHBondContact O-CA 3.1Å; T326-A393 PolarHBondContact N-O 3.38Å; T326-A393 PolarHBondContact O-N 3Å; T326-L431 CarbonylContact C-O 3.45Å; T326-L431 VanDerWaalsContact CA-O 3.31Å; T326-L431 WeakPolarHBondContact CA-O 3.46Å; T326-V433 HydrophobicContact CG2-CG2 4.08Å |
| 327 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.8 | -179.9 | 174.4 | 0 | 0 | 0 | 0 | 108 | M387 F392 L430 L431 F432 V433 | V327-M387 HydrophobicContact CG2-CB 3.82Å; V327-M387 HydrophobicContact CG2-CE 4.46Å; V327-F392 HydrophobicContact CG2-CB 3.89Å; V327-L430 HydrophobicContact CG2-CD1 3.78Å; V327-L431 PolarHBondContact N-O 3.27Å; V327-F432 HydrophobicContact CB-CD1 3.62Å; V327-F432 HydrophobicContact CB-CE1 3.75Å; V327-F432 HydrophobicContact CG1-CD1 3.89Å; V327-F432 HydrophobicContact CG1-CE1 3.65Å; V327-F432 HydrophobicContact CG1-CZ 4.23Å; V327-F432 HydrophobicContact CG2-CD1 4.25Å; V327-F432 HydrophobicContact CG2-CE1 4.07Å; V327-F432 WeakPolarHBondContact O-CA 3.45Å; V327-V433 PolarHBondContact O-N 2.88Å |
| 328 | P | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.013 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 155.9 | 171 | 31.4 | -34.8 | 0 | 0 | 0 | 109.9 | L314 I330 L391 S436 V438 | L314-P328 HydrophobicContact CD1-CB 4.35Å; P328-I330 PolarHBondContact O-N 3.43Å; P328-L391 HydrophobicContact CG-CB 4.07Å; P328-S436 CarbonylContact C-O 3.58Å; P328-S436 VanDerWaalsContact CA-O 3.29Å; P328-S436 WeakPolarHBondContact CA-O 3.5Å; P328-S436 WeakPolarHBondContact CB-O 3.23Å; P328-V438 HydrophobicContact CB-CB 4.46Å; P328-V438 HydrophobicContact CB-CG2 3.84Å; P328-V438 HydrophobicContact CG-CB 4.25Å; P328-V438 HydrophobicContact CG-CG2 3.74Å |
| 329 | L | 98.6 | Very high | 98.5 | Very high | 13 Ų | 13 | 19.7 Ų | 19.7 | 7% | 0.068 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 128.5 | 165.1 | -61.8 | -171.4 | 0 | 0 | 0 | 109.4 | Y351 Y382 F432 P434 S436 R437 V438 | L329-Y351 HydrophobicContact CD1-CD1 3.73Å; L329-Y351 HydrophobicContact CD1-CE1 3.79Å; L329-Y382 WeakPolarHBondContact CD2-OH 3.25Å; L329-F432 HydrophobicContact CD2-CB 4.12Å; L329-F432 HydrophobicContact CD2-CD2 3.96Å; L329-F432 HydrophobicContact CD2-CG 4.4Å; L329-P434 HydrophobicContact CD1-CB 4.37Å; L329-S436 PolarHBondContact N-O 3.44Å; L329-R437 HydrophobicContact CB-CG 4.39Å; L329-R437 VanDerWaalsContact CD1-NH1 3.33Å; L329-R437 WeakPolarHBondContact O-CA 3.34Å; L329-V438 PolarHBondContact O-N 2.98Å |
| 330 | I | 98.4 | Very high | 98.5 | Very high | 22 Ų | 22 | 20.1 Ų | 20.1 | 11% | 0.113 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.4 | -176.4 | -46.6 | -171.7 | 0 | 0 | 0 | 108.1 | P328 Q343 A388 L391 V438 H440 | P328-I330 PolarHBondContact O-N 3.43Å; I330-Q343 WeakPolarHBondContact O-CG 3.25Å; I330-Q343 PolarHBondContact O-OE1 2.93Å; I330-A388 HydrophobicContact CD1-CB 3.99Å; I330-L391 HydrophobicContact CB-CD1 4.41Å; I330-L391 HydrophobicContact CD1-CB 4.35Å; I330-L391 HydrophobicContact CD1-CD1 3.86Å; I330-L391 HydrophobicContact CD1-CG 4.1Å; I330-L391 HydrophobicContact CG1-CD1 3.9Å; I330-L391 HydrophobicContact CG2-CD1 3.88Å; I330-V438 WeakPolarHBondContact CA-O 3.25Å; I330-H440 HydrophobicContact CG2-CB 3.66Å |
| 331 | D | 98.4 | Very high | 98.5 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.027 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 155.2 | 175.2 | -67.9 | -40.2 | 0 | 0 | 0 | 110.6 | L192 I340 P342 R437 V438 G439 H440 | L192-D331 HydrophobicContact CD1-CB 4.04Å; L192-D331 WeakPolarHBondContact CD1-OD2 3.46Å; D331-I340 HydrophobicContact CB-CG2 3.75Å; D331-P342 WeakPolarHBondContact OD1-CA 3.44Å; D331-R437 IonicContact OD1-CZ 3.49Å; D331-R437 IonicContact OD1-NE 3.98Å; D331-R437 PolarHBondContact OD1-NE 3Å; D331-R437 IonicContact OD1-NH2 3.91Å; D331-R437 PolarHBondContact OD1-NH2 3.4Å; D331-R437 IonicContact OD2-CZ 3.37Å; D331-R437 IonicContact OD2-NE 3.49Å; D331-R437 PolarHBondContact OD2-NE 3.22Å; D331-R437 IonicContact OD2-NH2 3.93Å; D331-V438 PolarHBondContact N-O 3.44Å; D331-G439 CarbonylContact O-C 3.53Å; D331-G439 WeakPolarHBondContact O-CA 3.32Å; D331-H440 PolarHBondContact O-N 2.83Å |
| 332 | V | 98.3 | Very high | 98.4 | Very high | 31 Ų | 31 | 21.3 Ų | 21.3 | 19% | 0.188 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.6 | 178 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | I340 I341 Q343 Y442 | V332-I340 WeakPolarHBondContact O-CA 3.48Å; V332-I341 HydrophobicContact CB-CG1 3.84Å; V332-I341 HydrophobicContact CG1-CG1 4.3Å; V332-I341 PolarHBondContact N-O 2.78Å; V332-I341 PolarHBondContact O-N 3.46Å; V332-Q343 HydrophobicContact CG2-CG 3.57Å; V332-Y442 HydrophobicContact CB-CD2 4.23Å; V332-Y442 HydrophobicContact CB-CE2 4.41Å; V332-Y442 HydrophobicContact CG1-CD2 3.77Å; V332-Y442 HydrophobicContact CG1-CE2 4.4Å; V332-Y442 HydrophobicContact CG1-CG 4.48Å; V332-Y442 HydrophobicContact CG2-CD2 4.05Å; V332-Y442 HydrophobicContact CG2-CE2 3.81Å |
| 333 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122 | 160.5 | -50.7 | 175.6 | 0 | 0 | 0 | 106.7 | E305 G335 Y338 E339 I340 G439 H440 I441 Y442 | E305-I333 HydrophobicContact CB-CD1 3.87Å; E305-I333 HydrophobicContact CG-CD1 3.9Å; I333-G335 PolarHBondContact O-N 2.9Å; I333-Y338 HydrophobicContact CG2-CD1 4.15Å; I333-E339 WeakPolarHBondContact CA-O 3.45Å; I333-I340 HydrophobicContact CD1-CD1 4.42Å; I333-I340 HydrophobicContact CG1-CD1 4.16Å; I333-I340 HydrophobicContact CG1-CG1 3.97Å; I333-I340 HydrophobicContact CG1-CG2 4.28Å; I333-I340 HydrophobicContact CG2-CG1 4.47Å; I333-G439 VanDerWaalsContact CD1-C 3.43Å; I333-G439 WeakPolarHBondContact CD1-O 3.43Å; I333-H440 PolarHBondContact N-O 3.21Å; I333-I441 HydrophobicContact CB-CB 4.42Å; I333-I441 HydrophobicContact CB-CG1 3.83Å; I333-I441 HydrophobicContact CD1-CG1 3.99Å; I333-I441 HydrophobicContact CG1-CG1 4.46Å; I333-I441 HydrophobicContact CG2-CG1 3.9Å; I333-I441 WeakPolarHBondContact O-CA 3.32Å; I333-Y442 PolarHBondContact O-N 2.87Å |
| 334 | N | 98.3 | Very high | 97.4 | Very high | 47 Ų | 47 | 24.1 Ų | 24.1 | 25% | 0.251 | 15% | 0.148 | S | C | . | . | P | Polyproline II helix | trans | -64.4 | 118.9 | 178 | -174 | -40.2 | 0 | 0 | 0 | 110 | N336 T337 Y338 E339 | N334-N336 PolarHBondContact O-N 3.48Å; N334-N336 VanDerWaalsContact O-N 3.11Å; N334-N336 WeakPolarHBondContact OD1-CB 3.42Å; N334-N336 PolarHBondContact OD1-N 3.34Å; N334-T337 PolarHBondContact ND2-OG1 2.92Å; N334-T337 VanDerWaalsContact ND2-OG1 3.15Å; N334-T337 PolarHBondContact OD1-N 3.33Å; N334-T337 PolarHBondContact OD1-OG1 3.34Å; N334-Y338 VanDerWaalsContact O-CA 3.24Å; N334-Y338 WeakPolarHBondContact O-CA 3.32Å; N334-Y338 PolarHBondContact O-N 3.23Å; N334-E339 HydrophobicContact CB-CG 4.37Å; N334-E339 WeakPolarHBondContact CB-OE1 3.36Å; N334-E339 WeakPolarHBondContact CB-OE2 3.21Å; N334-E339 PolarHBondContact N-O 3.24Å; N334-E339 PolarHBondContact ND2-OE1 2.98Å |
| 335 | G | 97.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -10.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | N176 I333 | N176-G335 WeakPolarHBondContact CB-O 3.09Å; N176-G335 PolarHBondContact N-O 2.99Å; I333-G335 PolarHBondContact O-N 2.9Å |
| 336 | N | 97.8 | Very high | 96 | Very high | 62 Ų | 62 | 26.6 Ų | 26.6 | 33% | 0.332 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -45.2 | 176.8 | -171.3 | 42.9 | 0 | 0 | 0 | 113 | N176 N334 L444 | N176-N336 PolarHBondContact ND2-O 3.47Å; N176-N336 VanDerWaalsContact ND2-O 3.12Å; N176-N336 PolarHBondContact ND2-OD1 3.44Å; N334-N336 PolarHBondContact O-N 3.48Å; N334-N336 VanDerWaalsContact O-N 3.11Å; N334-N336 WeakPolarHBondContact OD1-CB 3.42Å; N334-N336 PolarHBondContact OD1-N 3.34Å; N336-L444 HydrophobicContact CB-CD1 3.91Å; N336-L444 HydrophobicContact CB-CD2 4.3Å |
| 337 | T | 98.1 | Very high | 95.8 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -6.1 | -169.5 | 43.3 | 0 | 0 | 0 | 0 | 114.4 | P155 L156 V157 N334 E339 | P155-T337 WeakPolarHBondContact CA-O 3.44Å; L156-T337 PolarHBondContact N-O 3.35Å; V157-T337 HydrophobicContact CG2-CG2 4.01Å; N334-T337 PolarHBondContact ND2-OG1 2.92Å; N334-T337 VanDerWaalsContact ND2-OG1 3.15Å; N334-T337 PolarHBondContact OD1-N 3.33Å; N334-T337 PolarHBondContact OD1-OG1 3.34Å; T337-E339 VanDerWaalsContact C-N 3.25Å; T337-E339 VanDerWaalsContact C-OE2 3.29Å; T337-E339 WeakPolarHBondContact CB-OE2 3.41Å; T337-E339 PolarHBondContact O-N 3.26Å; T337-E339 VanDerWaalsContact OG1-CD 3.27Å; T337-E339 PolarHBondContact OG1-OE1 2.86Å; T337-E339 PolarHBondContact OG1-OE2 3.06Å |
| 338 | Y | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | 62.2 | 14.3 | 170.7 | -67.3 | -98.7 | 0 | 0 | 0 | 117.1 | N176 A179 S180 I183 R187 I333 N334 I441 | N176-Y338 HydrophobicContact CB-CE2 4.41Å; N176-Y338 VanDerWaalsContact O-CE2 3.22Å; N176-Y338 WeakPolarHBondContact O-CE2 3.29Å; N176-Y338 PolarHBondContact O-OH 3.4Å; A179-Y338 HydrophobicContact CB-CD2 4.02Å; A179-Y338 HydrophobicContact CB-CE2 3.91Å; S180-Y338 VanDerWaalsContact CB-CZ 3.49Å; S180-Y338 VanDerWaalsContact CB-OH 3.22Å; S180-Y338 WeakPolarHBondContact CB-OH 3.42Å; S180-Y338 WeakPolarHBondContact OG-CE1 3.32Å; S180-Y338 PolarHBondContact OG-OH 3.39Å; I183-Y338 VanDerWaalsContact CD1-CB 3.47Å; I183-Y338 HydrophobicContact CD1-CD1 4.29Å; I183-Y338 HydrophobicContact CD1-CD2 3.99Å; I183-Y338 HydrophobicContact CD1-CG 3.67Å; R187-Y338 PolarHBondContact NH1-O 2.04Å; R187-Y338 PolarHBondContact NH2-O 3.26Å; I333-Y338 HydrophobicContact CG2-CD1 4.15Å; N334-Y338 VanDerWaalsContact O-CA 3.24Å; N334-Y338 WeakPolarHBondContact O-CA 3.32Å; N334-Y338 PolarHBondContact O-N 3.23Å; Y338-I441 HydrophobicContact CD1-CD1 4.38Å; Y338-I441 HydrophobicContact CE1-CD1 3.73Å | ||
| 339 | E | 98.4 | Very high | 95.1 | Very high | 36 Ų | 36 | 36.5 Ų | 36.5 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | trans | -67.4 | 154.1 | 160.7 | 77.2 | -74.2 | -178.1 | 0 | 0 | 111 | A153 P155 I333 N334 T337 I341 | A153-E339 WeakPolarHBondContact O-CA 3.25Å; A153-E339 VanDerWaalsContact O-CB 3.31Å; A153-E339 WeakPolarHBondContact O-CB 3.39Å; P155-E339 HydrophobicContact CB-CB 4.15Å; P155-E339 HydrophobicContact CB-CG 4.49Å; I333-E339 WeakPolarHBondContact CA-O 3.45Å; N334-E339 HydrophobicContact CB-CG 4.37Å; N334-E339 WeakPolarHBondContact CB-OE1 3.36Å; N334-E339 WeakPolarHBondContact CB-OE2 3.21Å; N334-E339 PolarHBondContact N-O 3.24Å; N334-E339 PolarHBondContact ND2-OE1 2.98Å; T337-E339 VanDerWaalsContact C-N 3.25Å; T337-E339 VanDerWaalsContact C-OE2 3.29Å; T337-E339 WeakPolarHBondContact CB-OE2 3.41Å; T337-E339 PolarHBondContact O-N 3.26Å; T337-E339 VanDerWaalsContact OG1-CD 3.27Å; T337-E339 PolarHBondContact OG1-OE1 2.86Å; T337-E339 PolarHBondContact OG1-OE2 3.06Å; E339-I341 HydrophobicContact CG-CG2 4.2Å | ||
| 340 | I | 98.7 | Very high | 94.8 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.9 | -179.4 | -45.6 | -175.8 | 0 | 0 | 0 | 109.1 | A153 V189 N190 L192 D331 V332 I333 | A153-I340 HydrophobicContact CB-CB 4.2Å; A153-I340 HydrophobicContact CB-CD1 4.17Å; A153-I340 HydrophobicContact CB-CG1 3.75Å; V189-I340 HydrophobicContact CB-CD1 4.13Å; V189-I340 HydrophobicContact CG1-CD1 3.9Å; N190-I340 PolarHBondContact ND2-O 2.88Å; N190-I340 WeakPolarHBondContact OD1-CB 3.37Å; L192-I340 HydrophobicContact CD1-CB 4.5Å; L192-I340 HydrophobicContact CD1-CG2 3.87Å; D331-I340 HydrophobicContact CB-CG2 3.75Å; V332-I340 WeakPolarHBondContact O-CA 3.48Å; I333-I340 HydrophobicContact CD1-CD1 4.42Å; I333-I340 HydrophobicContact CG1-CD1 4.16Å; I333-I340 HydrophobicContact CG1-CG1 3.97Å; I333-I340 HydrophobicContact CG1-CG2 4.28Å; I333-I340 HydrophobicContact CG2-CG1 4.47Å |
| 341 | I | 97.6 | Very high | 94.8 | Very high | 82 Ų | 82 | 36.7 Ų | 36.7 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 149.7 | -179.2 | 64 | 176.8 | 0 | 0 | 0 | 110.5 | V332 E339 | V332-I341 HydrophobicContact CB-CG1 3.84Å; V332-I341 HydrophobicContact CG1-CG1 4.3Å; V332-I341 PolarHBondContact N-O 2.78Å; V332-I341 PolarHBondContact O-N 3.46Å; E339-I341 HydrophobicContact CG-CG2 4.2Å |
| 342 | P | 96.4 | Very high | 94.7 | Very high | 72 Ų | 72 | 36.6 Ų | 36.6 | 47% | 0.468 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 148.6 | 175.3 | 29 | -34.4 | 0 | 0 | 0 | 111.5 | D331 G344 | D331-P342 WeakPolarHBondContact OD1-CA 3.44Å; P342-G344 PolarHBondContact O-N 3.45Å |
| 343 | Q | 90.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -69 | 122.2 | 172.4 | -77.5 | -177.9 | -18.5 | 0 | 0 | 111.7 | I330 V332 R364 Y442 | I330-Q343 WeakPolarHBondContact O-CG 3.25Å; I330-Q343 PolarHBondContact O-OE1 2.93Å; V332-Q343 HydrophobicContact CG2-CG 3.57Å; Q343-R364 PolarHBondContact O-NH2 2.85Å; Q343-R364 VanDerWaalsContact O-NH2 3.09Å; Q343-Y442 PolarHBondContact NE2-OH 3.33Å |
| 344 | G | 86.9 | Confident | 94.7 | Very high | 69 Ų | 69 | 35.1 Ų | 35.1 | 71% | 0.711 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -70.1 | 152.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P342 R364 | P342-G344 PolarHBondContact O-N 3.45Å; G344-R364 PolarHBondContact O-NH1 2.87Å |
| 345 | G | 81.6 | Confident | 94.7 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 45% | 0.454 | 21% | 0.213 | S | C | . | . | trans | 113.2 | 10.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 346 | G | 87.1 | Confident | 94.8 | Very high | 20 Ų | 20 | 32.8 Ų | 32.8 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -87 | -172.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y351 | G346-Y351 CarbonylContact C-O 3.47Å; G346-Y351 VanDerWaalsContact CA-C 3.47Å; G346-Y351 WeakPolarHBondContact CA-O 3.14Å |
| 347 | D | 92.9 | Very high | 94.7 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -69.4 | -164.9 | 168.6 | 71.5 | -10.2 | 0 | 0 | 0 | 112.1 | D349 G350 Y351 P366 L367 K372 | D347-D349 PolarHBondContact O-N 3.13Å; D347-D349 PolarHBondContact OD1-N 3.22Å; D347-G350 PolarHBondContact O-N 3.14Å; D347-G350 PolarHBondContact OD1-N 2.69Å; D347-Y351 PolarHBondContact N-O 3.4Å; D347-Y351 WeakPolarHBondContact OD1-CB 3.42Å; D347-Y351 PolarHBondContact OD1-N 3.12Å; D347-P366 HydrophobicContact CB-CB 4.3Å; D347-L367 HydrophobicContact CB-CB 4.38Å; D347-K372 WeakPolarHBondContact OD2-CE 3.34Å; D347-K372 IonicContact OD2-NZ 2.89Å; D347-K372 PolarHBondContact OD2-NZ 3.38Å |
| 348 | E | 92.2 | Very high | 94.7 | Very high | 147 Ų | 147 | 30.4 Ų | 30.4 | 69% | 0.687 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -21.4 | 178.4 | 67.7 | -84.4 | -163.6 | 0 | 0 | 114.2 | K372 | E348-K372 IonicContact OE1-NZ 3.86Å; E348-K372 PolarHBondContact OE1-NZ 2.72Å; E348-K372 IonicContact OE2-NZ 3.38Å; E348-K372 PolarHBondContact OE2-NZ 3.22Å |
| 349 | D | 91.1 | Very high | 94.5 | Very high | 41 Ų | 41 | 31.1 Ų | 31.1 | 22% | 0.219 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 3.1 | 179.7 | -60.5 | -47 | 0 | 0 | 0 | 112.9 | D347 Y351 K378 | D347-D349 PolarHBondContact O-N 3.13Å; D347-D349 PolarHBondContact OD1-N 3.22Å; D349-Y351 VanDerWaalsContact C-N 3.31Å; D349-Y351 HydrophobicContact CB-CD2 3.84Å; D349-Y351 HydrophobicContact CB-CE2 3.88Å; D349-Y351 HydrophobicContact CB-CG 4.38Å; D349-K378 VanDerWaalsContact CG-NZ 3.29Å; D349-K378 WeakPolarHBondContact OD1-CE 3.1Å; D349-K378 IonicContact OD1-NZ 3.32Å; D349-K378 PolarHBondContact OD1-NZ 2.84Å; D349-K378 WeakPolarHBondContact OD2-CE 3.45Å; D349-K378 IonicContact OD2-NZ 2.62Å |
| 350 | G | 92.9 | Very high | 94.5 | Very high | 35 Ų | 35 | 29.4 Ų | 29.4 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 75.4 | 16.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D347 | D347-G350 PolarHBondContact O-N 3.14Å; D347-G350 PolarHBondContact OD1-N 2.69Å |
| 351 | Y | 97.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | trans | -84.9 | 121.3 | 175.1 | -61.1 | -34.8 | 0 | 0 | 0 | 111.3 | L329 G346 D347 D349 L367 K378 Y382 P434 | L329-Y351 HydrophobicContact CD1-CD1 3.73Å; L329-Y351 HydrophobicContact CD1-CE1 3.79Å; G346-Y351 CarbonylContact C-O 3.47Å; G346-Y351 VanDerWaalsContact CA-C 3.47Å; G346-Y351 WeakPolarHBondContact CA-O 3.14Å; D347-Y351 PolarHBondContact N-O 3.4Å; D347-Y351 WeakPolarHBondContact OD1-CB 3.42Å; D347-Y351 PolarHBondContact OD1-N 3.12Å; D349-Y351 VanDerWaalsContact C-N 3.31Å; D349-Y351 HydrophobicContact CB-CD2 3.84Å; D349-Y351 HydrophobicContact CB-CE2 3.88Å; D349-Y351 HydrophobicContact CB-CG 4.38Å; Y351-L367 HydrophobicContact CD2-CD2 3.99Å; Y351-L367 HydrophobicContact CG-CD2 4.36Å; Y351-L367 WeakPolarHBondContact O-CB 2.81Å; Y351-L367 PolarHBondContact O-N 3.03Å; Y351-K378 HydrophobicContact CE2-CG 4.37Å; Y351-K378 VanDerWaalsContact CE2-O 3.26Å; Y351-K378 WeakPolarHBondContact CE2-O 3.33Å; Y351-K378 PolarHBondContact OH-O 3.21Å; Y351-Y382 HydrophobicContact CD1-CE1 4.11Å; Y351-Y382 AromaticContact CG-CE1 3.95Å; Y351-Y382 HydrophobicContact CG-CE1 3.95Å; Y351-P434 HydrophobicContact CD1-CG 4.46Å; Y351-P434 HydrophobicContact CE1-CB 3.61Å; Y351-P434 HydrophobicContact CE1-CG 3.9Å; Y351-P434 WeakPolarHBondContact OH-CB 3.5Å | ||
| 352 | A | 97.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.033 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 151.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R364 V365 Y382 F432 | A352-R364 HydrophobicContact CB-CB 4.26Å; A352-V365 CarbonylContact C-O 3.51Å; A352-V365 VanDerWaalsContact CA-O 3.27Å; A352-V365 WeakPolarHBondContact CA-O 3.35Å; A352-Y382 PolarHBondContact N-OH 3.41Å; A352-Y382 WeakPolarHBondContact O-CE2 3.32Å; A352-Y382 PolarHBondContact O-OH 2.98Å; A352-F432 VanDerWaalsContact O-CD2 3.29Å; A352-F432 WeakPolarHBondContact O-CD2 3.41Å |
| 353 | R | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 145.8 | 171.3 | -58.1 | 167.6 | 75.6 | -144.4 | 1.2 | 108.9 | R364 V365 L367 Y382 R383 I517 D520 | R353-R364 WeakPolarHBondContact O-CA 3.4Å; R353-V365 HydrophobicContact CB-CG2 4.23Å; R353-V365 PolarHBondContact N-O 2.86Å; R353-V365 PolarHBondContact O-N 2.92Å; R353-L367 HydrophobicContact CG-CD1 4.02Å; R353-Y382 HydrophobicContact CG-CD2 4.2Å; R353-Y382 HydrophobicContact CG-CE2 4Å; R353-R383 PolarHBondContact NE-O 3.31Å; R353-I517 PolarHBondContact NH2-O 2.92Å; R353-D520 IonicContact CZ-OD1 3.71Å; R353-D520 IonicContact CZ-OD2 3.05Å; R353-D520 IonicContact NH1-OD1 2.67Å; R353-D520 PolarHBondContact NH1-OD1 3.33Å; R353-D520 IonicContact NH1-OD2 3.92Å; R353-D520 PolarHBondContact NH1-OD2 2.91Å |
| 354 | G | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S384 P385 A386 | G354-S384 PolarHBondContact N-OG 2.81Å; G354-P385 WeakPolarHBondContact O-CD 3.3Å; G354-A386 WeakPolarHBondContact CA-O 3.15Å; G354-A386 PolarHBondContact O-N 3.26Å |
| 355 | A | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | -176 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K363 V365 I521 | A355-K363 CarbonylContact C-O 3.47Å; A355-K363 HydrophobicContact CB-CB 4.26Å; A355-K363 PolarHBondContact N-O 2.77Å; A355-K363 PolarHBondContact O-N 3.07Å; A355-K363 VanDerWaalsContact O-O 3.14Å; A355-V365 HydrophobicContact CB-CG1 4.03Å; A355-V365 HydrophobicContact CB-CG2 4.09Å; A355-I521 HydrophobicContact CB-CD1 4.3Å; A355-I521 HydrophobicContact CB-CG1 4.21Å |
| 356 | W | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 160.1 | 171.7 | 57.2 | 96.2 | 0 | 0 | 0 | 110.7 | L361 P385 A386 F417 Y421 W473 F510 F513 M514 A518 I521 | W356-L361 VanDerWaalsContact CA-O 3.22Å; W356-L361 WeakPolarHBondContact CA-O 3.36Å; W356-P385 HydrophobicContact CH2-CB 4.1Å; W356-P385 HydrophobicContact CZ3-CB 3.78Å; W356-A386 HydrophobicContact CE3-CB 4.03Å; W356-A386 HydrophobicContact CZ3-CB 3.94Å; W356-F417 HydrophobicContact CB-CE1 3.69Å; W356-F417 HydrophobicContact CB-CZ 3.75Å; W356-F417 HydrophobicContact CD2-CE1 4.29Å; W356-F417 HydrophobicContact CE3-CD1 4.08Å; W356-F417 AromaticContact CE3-CE1 3.91Å; W356-F417 HydrophobicContact CE3-CE1 3.91Å; W356-F417 HydrophobicContact CG-CE1 4.23Å; W356-Y421 HydrophobicContact CE3-CE1 4.45Å; W356-Y421 AromaticContact CH2-CE1 3.78Å; W356-Y421 HydrophobicContact CH2-CE1 3.78Å; W356-Y421 HydrophobicContact CZ2-CE1 4Å; W356-Y421 AromaticContact CZ3-CE1 3.96Å; W356-Y421 HydrophobicContact CZ3-CE1 3.96Å; W356-W473 AromaticContact CD1-CH2 3.62Å; W356-W473 AromaticContact CD1-CZ2 3.62Å; W356-W473 HydrophobicContact CG-CZ2 4.48Å; W356-W473 AromaticContact NE1-CH2 3.59Å; W356-W473 AromaticContact NE1-CZ2 3.38Å; W356-F510 AromaticContact CZ2-CZ 3.9Å; W356-F510 HydrophobicContact CZ2-CZ 3.9Å; W356-F513 HydrophobicContact CH2-CD1 4.48Å; W356-F513 AromaticContact CH2-CE1 3.27Å; W356-F513 HydrophobicContact CH2-CE1 3.27Å; W356-F513 AromaticContact CH2-CZ 3.52Å; W356-F513 HydrophobicContact CH2-CZ 3.52Å; W356-F513 AromaticContact CZ2-CE1 3.79Å; W356-F513 HydrophobicContact CZ2-CE1 3.79Å; W356-F513 HydrophobicContact CZ2-CZ 4.46Å; W356-F513 HydrophobicContact CZ3-CE1 4.28Å; W356-F513 HydrophobicContact CZ3-CZ 4.16Å; W356-M514 HydrophobicContact CZ2-SD 3.85Å; W356-A518 HydrophobicContact CH2-CB 4.1Å; W356-I521 HydrophobicContact CD2-CD1 3.91Å; W356-I521 HydrophobicContact CE3-CD1 3.76Å; W356-I521 HydrophobicContact CH2-CD1 3.15Å; W356-I521 HydrophobicContact CZ2-CD1 3.41Å; W356-I521 VanDerWaalsContact CZ2-CD1 3.41Å; W356-I521 HydrophobicContact CZ3-CD1 3.4Å |
| 357 | D | 96.6 | Very high | 96.4 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 11% | 0.107 | 15% | 0.15 | C | C | . | . | trans | -90.9 | 171 | 159.8 | 63.7 | 28.5 | 0 | 0 | 0 | 110.8 | S359 M360 L361 K363 Y525 | D357-S359 PolarHBondContact O-N 2.86Å; D357-S359 WeakPolarHBondContact OD1-CA 3.42Å; D357-S359 VanDerWaalsContact OD1-CB 3.27Å; D357-S359 WeakPolarHBondContact OD1-CB 3.19Å; D357-S359 PolarHBondContact OD1-N 2.87Å; D357-M360 WeakPolarHBondContact O-CA 3.32Å; D357-M360 PolarHBondContact O-N 2.84Å; D357-M360 PolarHBondContact OD1-N 3.05Å; D357-L361 PolarHBondContact N-O 3.27Å; D357-L361 VanDerWaalsContact N-O 3.16Å; D357-L361 WeakPolarHBondContact OD1-CB 3.33Å; D357-L361 PolarHBondContact OD1-N 2.97Å; D357-K363 HydrophobicContact CB-CG 4.5Å; D357-K363 WeakPolarHBondContact OD2-CE 3.12Å; D357-K363 IonicContact OD2-NZ 3.62Å; D357-K363 PolarHBondContact OD2-NZ 3.39Å; D357-Y525 HydrophobicContact CB-CD1 4.01Å; D357-Y525 HydrophobicContact CB-CG 4.16Å | ||
| 358 | W | 96.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -1.1 | -179.2 | -56.7 | 99.1 | 0 | 0 | 0 | 113.9 | M360 W473 Y476 Y479 F480 S483 M514 I521 T522 Y525 P526 L527 P528 | W358-M360 VanDerWaalsContact C-N 3.3Å; W358-W473 HydrophobicContact CE3-CH2 4.26Å; W358-W473 AromaticContact CE3-CZ3 3.8Å; W358-W473 HydrophobicContact CE3-CZ3 3.8Å; W358-W473 HydrophobicContact CZ3-CZ3 4.15Å; W358-Y476 AromaticContact CH2-CD1 3.62Å; W358-Y476 HydrophobicContact CH2-CD1 3.62Å; W358-Y476 HydrophobicContact CH2-CE1 4.02Å; W358-Y476 AromaticContact CZ3-CD1 3.62Å; W358-Y476 HydrophobicContact CZ3-CD1 3.62Å; W358-Y476 HydrophobicContact CZ3-CE1 4.46Å; W358-Y476 HydrophobicContact CZ3-CG 4.43Å; W358-Y479 HydrophobicContact CE3-CD2 4.35Å; W358-Y479 HydrophobicContact CE3-CG 4.34Å; W358-Y479 HydrophobicContact CZ3-CD2 4.29Å; W358-F480 VanDerWaalsContact O-CA 3.31Å; W358-F480 WeakPolarHBondContact O-CA 3.17Å; W358-S483 WeakPolarHBondContact CB-OG 3.37Å; W358-S483 WeakPolarHBondContact O-CB 3.26Å; W358-S483 PolarHBondContact O-OG 3.36Å; W358-M514 HydrophobicContact CH2-CE 3.74Å; W358-M514 HydrophobicContact CH2-SD 4.23Å; W358-M514 HydrophobicContact CZ2-CE 4.09Å; W358-I521 HydrophobicContact CZ2-CG2 4.42Å; W358-T522 HydrophobicContact CZ2-CG2 3.79Å; W358-Y525 PolarHBondContact NE1-O 2.99Å; W358-P526 PolarHBondContact NE1-O 3.19Å; W358-L527 HydrophobicContact CD2-CD2 4.12Å; W358-L527 HydrophobicContact CE3-CD2 4.4Å; W358-L527 HydrophobicContact CH2-CD2 3.58Å; W358-L527 HydrophobicContact CZ2-CD2 3.24Å; W358-L527 HydrophobicContact CZ2-CG 4.33Å; W358-L527 HydrophobicContact CZ3-CD2 4.15Å; W358-P528 HydrophobicContact CB-CG 3.93Å; W358-P528 VanDerWaalsContact CD1-CD 3.43Å; W358-P528 VanDerWaalsContact CG-CD 3.49Å; W358-P528 HydrophobicContact CG-CG 4.18Å |
| 359 | S | 95.7 | Very high | 96.9 | Very high | 15 Ų | 15 | 26 Ų | 26 | 11% | 0.105 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 9.1 | 165.3 | -69 | 0 | 0 | 0 | 0 | 112.7 | D357 L361 S483 R484 | D357-S359 PolarHBondContact O-N 2.86Å; D357-S359 WeakPolarHBondContact OD1-CA 3.42Å; D357-S359 VanDerWaalsContact OD1-CB 3.27Å; D357-S359 WeakPolarHBondContact OD1-CB 3.19Å; D357-S359 PolarHBondContact OD1-N 2.87Å; S359-L361 PolarHBondContact O-N 3.3Å; S359-S483 WeakPolarHBondContact OG-CB 3.41Å; S359-R484 PolarHBondContact O-NE 3.01Å; S359-R484 PolarHBondContact O-NH2 2.89Å |
| 360 | M | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | 59.5 | 29.8 | -177.5 | -152.5 | -179.5 | -174.6 | 0 | 0 | 113.5 | D357 W358 F417 Y421 Y465 V468 V469 W473 F480 | D357-M360 WeakPolarHBondContact O-CA 3.32Å; D357-M360 PolarHBondContact O-N 2.84Å; D357-M360 PolarHBondContact OD1-N 3.05Å; W358-M360 VanDerWaalsContact C-N 3.3Å; M360-F417 HydrophobicContact CE-CB 3.46Å; M360-F417 VanDerWaalsContact CE-CB 3.46Å; M360-F417 HydrophobicContact CE-CD2 3.7Å; M360-F417 HydrophobicContact CE-CG 3.86Å; M360-F417 HydrophobicContact CG-CD2 3.82Å; M360-F417 HydrophobicContact CG-CE2 4Å; M360-F417 HydrophobicContact CG-CG 4.48Å; M360-F417 VanDerWaalsContact O-CE2 3.26Å; M360-F417 WeakPolarHBondContact O-CE2 3.45Å; M360-F417 HydrophobicContact SD-CD2 4.47Å; M360-Y421 HydrophobicContact CE-CE2 4.16Å; M360-Y465 HydrophobicContact CB-CD1 4.42Å; M360-Y465 HydrophobicContact CB-CD2 4.34Å; M360-Y465 HydrophobicContact CB-CG 4.21Å; M360-Y465 HydrophobicContact CG-CD1 4.2Å; M360-Y465 HydrophobicContact CG-CG 4.39Å; M360-Y465 VanDerWaalsContact SD-CB 3.56Å; M360-Y465 HydrophobicContact SD-CD1 3.54Å; M360-Y465 VanDerWaalsContact SD-CD1 3.54Å; M360-Y465 HydrophobicContact SD-CE1 4.41Å; M360-Y465 HydrophobicContact SD-CG 3.71Å; M360-V468 HydrophobicContact CE-CB 3.54Å; M360-V468 HydrophobicContact CE-CG1 3.33Å; M360-V468 HydrophobicContact CE-CG2 4.14Å; M360-V468 HydrophobicContact SD-CB 4.47Å; M360-V469 HydrophobicContact SD-CG2 4.06Å; M360-W473 HydrophobicContact CG-CZ2 4.27Å; M360-F480 HydrophobicContact CB-CD2 4.25Å; M360-F480 HydrophobicContact CB-CE2 4.07Å | ||
| 361 | L | 96 | Very high | 97.4 | Very high | 67 Ų | 67 | 27.1 Ų | 27.1 | 35% | 0.351 | 14% | 0.137 | S | C | . | . | trans | -89.5 | 134.8 | 173 | -62.4 | 177.9 | 0 | 0 | 0 | 109.9 | W356 D357 S359 K363 | W356-L361 VanDerWaalsContact CA-O 3.22Å; W356-L361 WeakPolarHBondContact CA-O 3.36Å; D357-L361 PolarHBondContact N-O 3.27Å; D357-L361 VanDerWaalsContact N-O 3.16Å; D357-L361 WeakPolarHBondContact OD1-CB 3.33Å; D357-L361 PolarHBondContact OD1-N 2.97Å; S359-L361 PolarHBondContact O-N 3.3Å; L361-K363 PolarHBondContact O-N 3.18Å | ||
| 362 | W | 96.9 | Very high | 97.4 | Very high | 92 Ų | 92 | 29.6 Ų | 29.6 | 35% | 0.348 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 135.4 | 177 | -179.8 | 82.3 | 0 | 0 | 0 | 112.1 | R364 A388 F417 | W362-R364 HydrophobicContact CH2-CG 3.59Å; W362-R364 HydrophobicContact CZ2-CG 3.41Å; W362-R364 VanDerWaalsContact CZ2-CG 3.41Å; W362-R364 HydrophobicContact CZ3-CG 4.25Å; W362-A388 HydrophobicContact CZ2-CB 3.91Å; W362-F417 HydrophobicContact CB-CZ 4.1Å |
| 363 | K | 96.3 | Very high | 97.4 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 22% | 0.217 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 164.6 | 178.2 | -64.3 | -63.9 | -170.9 | -78.7 | 0 | 109.5 | A355 D357 L361 Y525 | A355-K363 CarbonylContact C-O 3.47Å; A355-K363 HydrophobicContact CB-CB 4.26Å; A355-K363 PolarHBondContact N-O 2.77Å; A355-K363 PolarHBondContact O-N 3.07Å; A355-K363 VanDerWaalsContact O-O 3.14Å; D357-K363 HydrophobicContact CB-CG 4.5Å; D357-K363 WeakPolarHBondContact OD2-CE 3.12Å; D357-K363 IonicContact OD2-NZ 3.62Å; D357-K363 PolarHBondContact OD2-NZ 3.39Å; L361-K363 PolarHBondContact O-N 3.18Å; K363-Y525 HydrophobicContact CB-CD2 4.39Å; K363-Y525 HydrophobicContact CB-CE2 3.49Å; K363-Y525 VanDerWaalsContact CB-CE2 3.49Å; K363-Y525 HydrophobicContact CD-CE1 4.01Å; K363-Y525 HydrophobicContact CD-CE2 4.4Å; K363-Y525 WeakPolarHBondContact CD-OH 3.47Å; K363-Y525 HydrophobicContact CG-CD2 4.36Å; K363-Y525 HydrophobicContact CG-CE1 3.95Å; K363-Y525 HydrophobicContact CG-CE2 3.66Å; K363-Y525 VanDerWaalsContact CG-CZ 3.44Å |
| 364 | R | 96.9 | Very high | 97.3 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 19% | 0.192 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.9 | 172 | -74.6 | 176.7 | 61.3 | -124.5 | 10.8 | 108.7 | Q343 G344 A352 R353 W362 | Q343-R364 PolarHBondContact O-NH2 2.85Å; Q343-R364 VanDerWaalsContact O-NH2 3.09Å; G344-R364 PolarHBondContact O-NH1 2.87Å; A352-R364 HydrophobicContact CB-CB 4.26Å; R353-R364 WeakPolarHBondContact O-CA 3.4Å; W362-R364 HydrophobicContact CH2-CG 3.59Å; W362-R364 HydrophobicContact CZ2-CG 3.41Å; W362-R364 VanDerWaalsContact CZ2-CG 3.41Å; W362-R364 HydrophobicContact CZ3-CG 4.25Å |
| 365 | V | 97.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150 | 175.1 | -63.2 | 0 | 0 | 0 | 0 | 109.2 | A352 R353 A355 D520 H524 Y525 | A352-V365 CarbonylContact C-O 3.51Å; A352-V365 VanDerWaalsContact CA-O 3.27Å; A352-V365 WeakPolarHBondContact CA-O 3.35Å; R353-V365 HydrophobicContact CB-CG2 4.23Å; R353-V365 PolarHBondContact N-O 2.86Å; R353-V365 PolarHBondContact O-N 2.92Å; A355-V365 HydrophobicContact CB-CG1 4.03Å; A355-V365 HydrophobicContact CB-CG2 4.09Å; V365-D520 WeakPolarHBondContact CG2-OD2 3.21Å; V365-H524 HydrophobicContact CG1-CB 3.82Å; V365-Y525 HydrophobicContact CG1-CE2 3.95Å |
| 366 | P | 98.2 | Very high | 97.1 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 33% | 0.331 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 151.2 | 177.9 | -26.2 | 35.6 | 0 | 0 | 0 | 113.2 | D347 T368 | D347-P366 HydrophobicContact CB-CB 4.3Å; P366-T368 PolarHBondContact O-N 2.68Å |
| 367 | L | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 125.1 | 171.3 | 179.6 | 64 | 0 | 0 | 0 | 110.6 | D347 Y351 R353 E371 K372 Y382 | D347-L367 HydrophobicContact CB-CB 4.38Å; Y351-L367 HydrophobicContact CD2-CD2 3.99Å; Y351-L367 HydrophobicContact CG-CD2 4.36Å; Y351-L367 WeakPolarHBondContact O-CB 2.81Å; Y351-L367 PolarHBondContact O-N 3.03Å; R353-L367 HydrophobicContact CG-CD1 4.02Å; L367-E371 HydrophobicContact CD1-CB 3.54Å; L367-E371 HydrophobicContact CD1-CG 4.14Å; L367-E371 HydrophobicContact CG-CB 4.42Å; L367-K372 HydrophobicContact CD2-CG 4Å; L367-K372 HydrophobicContact CG-CG 4.2Å; L367-Y382 HydrophobicContact CD1-CD1 4.48Å; L367-Y382 HydrophobicContact CD1-CD2 3.6Å; L367-Y382 HydrophobicContact CD1-CE2 4.09Å; L367-Y382 HydrophobicContact CD1-CG 3.81Å; L367-Y382 HydrophobicContact CD2-CD1 4.26Å; L367-Y382 HydrophobicContact CD2-CG 4.35Å |
| 368 | T | 97.9 | Very high | 97 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 154 | -174 | 73.7 | 0 | 0 | 0 | 0 | 112.6 | P366 Q370 E371 K372 Y519 D520 | P366-T368 PolarHBondContact O-N 2.68Å; T368-Q370 PolarHBondContact O-N 2.98Å; T368-Q370 PolarHBondContact OG1-N 2.94Å; T368-E371 PolarHBondContact O-N 3.28Å; T368-E371 PolarHBondContact OG1-N 2.7Å; T368-K372 WeakPolarHBondContact O-CG 3.44Å; T368-K372 PolarHBondContact O-N 2.93Å; T368-K372 VanDerWaalsContact O-N 3.16Å; T368-Y519 HydrophobicContact CG2-CE2 3.94Å; T368-Y519 PolarHBondContact OG1-OH 2.87Å; T368-D520 HydrophobicContact CG2-CB 3.79Å; T368-D520 WeakPolarHBondContact CG2-OD2 3.43Å |
| 369 | P | 97.5 | Very high | 97.1 | Very high | 87 Ų | 87 | 58.6 Ų | 58.6 | 57% | 0.565 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59 | -27.9 | 171.5 | -25.6 | 34.9 | 0 | 0 | 0 | 114 | K372 R373 | P369-K372 PolarHBondContact O-N 3.14Å; P369-R373 WeakPolarHBondContact O-CG 3.04Å; P369-R373 PolarHBondContact O-N 3.02Å; P369-R373 VanDerWaalsContact O-N 3.11Å |
| 370 | Q | 97.3 | Very high | 97.2 | Very high | 98 Ų | 98 | 60.1 Ų | 60.1 | 46% | 0.458 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.5 | -45.9 | 179 | -39.5 | -168.5 | 13.4 | 0 | 0 | 110.9 | T368 K372 R373 L374 Y519 | T368-Q370 PolarHBondContact O-N 2.98Å; T368-Q370 PolarHBondContact OG1-N 2.94Å; Q370-K372 VanDerWaalsContact C-N 3.3Å; Q370-K372 PolarHBondContact O-N 3.14Å; Q370-R373 PolarHBondContact O-N 2.77Å; Q370-R373 VanDerWaalsContact O-N 3.15Å; Q370-L374 PolarHBondContact O-N 2.67Å; Q370-Y519 HydrophobicContact CB-CE2 4.46Å; Q370-Y519 WeakPolarHBondContact CB-OH 3.45Å; Q370-Y519 HydrophobicContact CG-CE2 4.05Å |
| 371 | E | 98 | Very high | 97.2 | Very high | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -37 | 174.2 | -73.4 | -59.5 | 124.9 | 0 | 0 | 112 | L367 T368 R373 L374 R375 R383 | L367-E371 HydrophobicContact CD1-CB 3.54Å; L367-E371 HydrophobicContact CD1-CG 4.14Å; L367-E371 HydrophobicContact CG-CB 4.42Å; T368-E371 PolarHBondContact O-N 3.28Å; T368-E371 PolarHBondContact OG1-N 2.7Å; E371-R373 VanDerWaalsContact C-N 3.32Å; E371-R373 PolarHBondContact O-N 3.25Å; E371-L374 PolarHBondContact O-N 3.15Å; E371-R375 VanDerWaalsContact O-CD 3.28Å; E371-R375 WeakPolarHBondContact O-CD 2.99Å; E371-R375 WeakPolarHBondContact O-CG 3.32Å; E371-R383 IonicContact OE1-CZ 3.17Å; E371-R383 VanDerWaalsContact OE1-CZ 3.23Å; E371-R383 IonicContact OE1-NE 2.74Å; E371-R383 PolarHBondContact OE1-NE 3.41Å; E371-R383 IonicContact OE1-NH2 2.71Å; E371-R383 PolarHBondContact OE1-NH2 3.37Å; E371-R383 VanDerWaalsContact OE2-CB 3.28Å; E371-R383 WeakPolarHBondContact OE2-CB 3.27Å; E371-R383 WeakPolarHBondContact OE2-CG 3.24Å; E371-R383 PolarHBondContact OE2-N 2.8Å; E371-R383 IonicContact OE2-NE 3.81Å; E371-R383 PolarHBondContact OE2-NE 3.49Å |
| 372 | K | 97.5 | Very high | 97.4 | Very high | 56 Ų | 56 | 59 Ų | 59 | 24% | 0.243 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 174.2 | -67.7 | -179.9 | -177.8 | -173.2 | 0 | 112.1 | D347 E348 L367 T368 P369 Q370 L374 R375 | D347-K372 WeakPolarHBondContact OD2-CE 3.34Å; D347-K372 IonicContact OD2-NZ 2.89Å; D347-K372 PolarHBondContact OD2-NZ 3.38Å; E348-K372 IonicContact OE1-NZ 3.86Å; E348-K372 PolarHBondContact OE1-NZ 2.72Å; E348-K372 IonicContact OE2-NZ 3.38Å; E348-K372 PolarHBondContact OE2-NZ 3.22Å; L367-K372 HydrophobicContact CD2-CG 4Å; L367-K372 HydrophobicContact CG-CG 4.2Å; T368-K372 WeakPolarHBondContact O-CG 3.44Å; T368-K372 PolarHBondContact O-N 2.93Å; T368-K372 VanDerWaalsContact O-N 3.16Å; P369-K372 PolarHBondContact O-N 3.14Å; Q370-K372 VanDerWaalsContact C-N 3.3Å; Q370-K372 PolarHBondContact O-N 3.14Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 3.23Å; K372-R375 PolarHBondContact O-N 3.14Å |
| 373 | R | 97.6 | Very high | 97.5 | Very high | 183 Ų | 183 | 56.9 Ų | 56.9 | 69% | 0.691 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.6 | -26 | 179.6 | -74.9 | -171.9 | -62.7 | -107.5 | 6.2 | 114 | P369 Q370 E371 R375 | P369-R373 WeakPolarHBondContact O-CG 3.04Å; P369-R373 PolarHBondContact O-N 3.02Å; P369-R373 VanDerWaalsContact O-N 3.11Å; Q370-R373 PolarHBondContact O-N 2.77Å; Q370-R373 VanDerWaalsContact O-N 3.15Å; E371-R373 VanDerWaalsContact C-N 3.32Å; E371-R373 PolarHBondContact O-N 3.25Å; R373-R375 PolarHBondContact O-N 3.22Å |
| 374 | L | 96.5 | Very high | 97.6 | Very high | 113 Ų | 113 | 54.5 Ų | 54.5 | 59% | 0.592 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -73.5 | -17.2 | 176.6 | -64.2 | 177.3 | 0 | 0 | 0 | 112.6 | Q370 E371 K372 | Q370-L374 PolarHBondContact O-N 2.67Å; E371-L374 PolarHBondContact O-N 3.15Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 3.23Å |
| 375 | R | 96.7 | Very high | 97.7 | Very high | 29 Ų | 29 | 52 Ų | 52 | 11% | 0.109 | 25% | 0.249 | C | C | . | . | trans | -102.6 | 140.4 | -172.9 | -65.6 | 162.7 | 68.3 | -131.1 | 2.8 | 109.8 | E371 K372 R373 K378 E380 | E371-R375 VanDerWaalsContact O-CD 3.28Å; E371-R375 WeakPolarHBondContact O-CD 2.99Å; E371-R375 WeakPolarHBondContact O-CG 3.32Å; K372-R375 PolarHBondContact O-N 3.14Å; R373-R375 PolarHBondContact O-N 3.22Å; R375-K378 VanDerWaalsContact NH2-C 3.3Å; R375-K378 PolarHBondContact NH2-O 3.5Å; R375-E380 WeakPolarHBondContact CA-OE2 3.32Å; R375-E380 VanDerWaalsContact CB-CD 3.48Å; R375-E380 HydrophobicContact CB-CG 3.72Å; R375-E380 HydrophobicContact CG-CG 3.75Å; R375-E380 PolarHBondContact NE-O 3Å; R375-E380 VanDerWaalsContact NE-O 3.15Å; R375-E380 PolarHBondContact NH2-O 3.22Å | ||
| 376 | K | 95.6 | Very high | 97.8 | Very high | 200 Ų | 200 | 52 Ų | 52 | 87% | 0.87 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -84.4 | -27 | 177.9 | -64.9 | -179.6 | -177.8 | 176.8 | 0 | 112.3 | E380 | K376-E380 WeakPolarHBondContact CA-OE1 3.32Å; K376-E380 PolarHBondContact N-OE1 3.24Å |
| 377 | T | 96.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 20% | 0.202 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -130.4 | 161.6 | -171.6 | 65.6 | 0 | 0 | 0 | 0 | 110.2 | L127 W200 E380 | L127-T377 HydrophobicContact CD2-CG2 3.87Å; W200-T377 HydrophobicContact CH2-CG2 3.99Å; W200-T377 HydrophobicContact CZ2-CG2 4.15Å; W200-T377 WeakPolarHBondContact CZ2-OG1 3.18Å; T377-E380 WeakPolarHBondContact CA-OE1 3.42Å; T377-E380 PolarHBondContact N-OE1 2.86Å; T377-E380 WeakPolarHBondContact OG1-CB 3.4Å; T377-E380 WeakPolarHBondContact OG1-CG 3.44Å; T377-E380 PolarHBondContact OG1-N 3.42Å; T377-E380 PolarHBondContact OG1-OE1 3.35Å |
| 378 | K | 96.7 | Very high | 97.7 | Very high | 81 Ų | 81 | 51 Ų | 51 | 35% | 0.352 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -76.2 | -26.6 | -176.1 | -171.5 | -175.2 | -173.5 | -176 | 0 | 112.6 | E196 D349 Y351 R375 | E196-K378 WeakPolarHBondContact OE2-CB 3.45Å; E196-K378 PolarHBondContact OE2-N 2.02Å; D349-K378 VanDerWaalsContact CG-NZ 3.29Å; D349-K378 WeakPolarHBondContact OD1-CE 3.1Å; D349-K378 IonicContact OD1-NZ 3.32Å; D349-K378 PolarHBondContact OD1-NZ 2.84Å; D349-K378 WeakPolarHBondContact OD2-CE 3.45Å; D349-K378 IonicContact OD2-NZ 2.62Å; Y351-K378 HydrophobicContact CE2-CG 4.37Å; Y351-K378 VanDerWaalsContact CE2-O 3.26Å; Y351-K378 WeakPolarHBondContact CE2-O 3.33Å; Y351-K378 PolarHBondContact OH-O 3.21Å; R375-K378 VanDerWaalsContact NH2-C 3.3Å; R375-K378 PolarHBondContact NH2-O 3.5Å |
| 379 | T | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -111.4 | 0.2 | -170.2 | 53.1 | 0 | 0 | 0 | 0 | 115.3 | Q194 E196 W200 P434 | Q194-T379 HydrophobicContact CB-CG2 3.81Å; Q194-T379 HydrophobicContact CG-CG2 4.37Å; E196-T379 HydrophobicContact CB-CG2 3.92Å; E196-T379 HydrophobicContact CG-CG2 4.37Å; E196-T379 WeakPolarHBondContact CG-OG1 3.5Å; E196-T379 WeakPolarHBondContact OE2-CB 3.13Å; E196-T379 WeakPolarHBondContact OE2-CG2 3.04Å; E196-T379 PolarHBondContact OE2-N 3.14Å; E196-T379 PolarHBondContact OE2-OG1 3.32Å; W200-T379 PolarHBondContact NE1-OG1 3Å; T379-P434 WeakPolarHBondContact O-CG 3.46Å |
| 380 | E | 97.6 | Very high | 97 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -65.6 | 155.9 | 171 | 69.2 | -169.2 | 83.7 | 0 | 0 | 112.2 | W200 R375 K376 T377 | W200-E380 HydrophobicContact CH2-CB 4.41Å; W200-E380 HydrophobicContact CZ2-CB 4.39Å; R375-E380 WeakPolarHBondContact CA-OE2 3.32Å; R375-E380 VanDerWaalsContact CB-CD 3.48Å; R375-E380 HydrophobicContact CB-CG 3.72Å; R375-E380 HydrophobicContact CG-CG 3.75Å; R375-E380 PolarHBondContact NE-O 3Å; R375-E380 VanDerWaalsContact NE-O 3.15Å; R375-E380 PolarHBondContact NH2-O 3.22Å; K376-E380 WeakPolarHBondContact CA-OE1 3.32Å; K376-E380 PolarHBondContact N-OE1 3.24Å; T377-E380 WeakPolarHBondContact CA-OE1 3.42Å; T377-E380 PolarHBondContact N-OE1 2.86Å; T377-E380 WeakPolarHBondContact OG1-CB 3.4Å; T377-E380 WeakPolarHBondContact OG1-CG 3.44Å; T377-E380 PolarHBondContact OG1-N 3.42Å; T377-E380 PolarHBondContact OG1-OE1 3.35Å |
| 381 | P | 98.8 | Very high | 97.1 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | trans | -55 | 153.3 | 177.6 | -25.2 | 34.5 | 0 | 0 | 0 | 113.9 | P317 L431 F432 V433 | P317-P381 HydrophobicContact CG-CG 3.92Å; P381-L431 HydrophobicContact CB-CB 4.05Å; P381-L431 HydrophobicContact CB-CD1 4.03Å; P381-F432 CarbonylContact C-O 3.29Å; P381-F432 VanDerWaalsContact CA-O 3.24Å; P381-F432 WeakPolarHBondContact CA-O 3.49Å; P381-V433 HydrophobicContact CB-CG2 4.24Å; P381-V433 HydrophobicContact CG-CG1 4.36Å; P381-V433 HydrophobicContact CG-CG2 4.17Å | ||
| 382 | Y | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 155 | 177.5 | 59.4 | -98.1 | 0 | 0 | 0 | 112.2 | L329 Y351 A352 R353 L367 L431 F432 P434 | L329-Y382 WeakPolarHBondContact CD2-OH 3.25Å; Y351-Y382 HydrophobicContact CD1-CE1 4.11Å; Y351-Y382 AromaticContact CG-CE1 3.95Å; Y351-Y382 HydrophobicContact CG-CE1 3.95Å; A352-Y382 PolarHBondContact N-OH 3.41Å; A352-Y382 WeakPolarHBondContact O-CE2 3.32Å; A352-Y382 PolarHBondContact O-OH 2.98Å; R353-Y382 HydrophobicContact CG-CD2 4.2Å; R353-Y382 HydrophobicContact CG-CE2 4Å; L367-Y382 HydrophobicContact CD1-CD1 4.48Å; L367-Y382 HydrophobicContact CD1-CD2 3.6Å; L367-Y382 HydrophobicContact CD1-CE2 4.09Å; L367-Y382 HydrophobicContact CD1-CG 3.81Å; L367-Y382 HydrophobicContact CD2-CD1 4.26Å; L367-Y382 HydrophobicContact CD2-CG 4.35Å; Y382-L431 CarbonylContact O-C 3.57Å; Y382-L431 VanDerWaalsContact O-CA 3.31Å; Y382-L431 WeakPolarHBondContact O-CA 3.39Å; Y382-F432 HydrophobicContact CD2-CB 4Å; Y382-F432 HydrophobicContact CE1-CB 4.12Å; Y382-F432 HydrophobicContact CE2-CB 3.49Å; Y382-F432 VanDerWaalsContact CE2-CB 3.49Å; Y382-F432 AromaticContact CE2-CD2 3.94Å; Y382-F432 HydrophobicContact CE2-CD2 3.94Å; Y382-F432 HydrophobicContact CE2-CG 4.05Å; Y382-F432 PolarHBondContact N-O 2.86Å; Y382-F432 PolarHBondContact O-N 3.5Å; Y382-P434 HydrophobicContact CD1-CG 3.96Å; Y382-P434 HydrophobicContact CE1-CG 3.82Å |
| 383 | R | 98.8 | Very high | 97.2 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 18% | 0.181 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 132.1 | -175.2 | -54.4 | -176 | -65.7 | 170.3 | 3.5 | 111.1 | R353 E371 W424 L431 E516 | R353-R383 PolarHBondContact NE-O 3.31Å; E371-R383 IonicContact OE1-CZ 3.17Å; E371-R383 VanDerWaalsContact OE1-CZ 3.23Å; E371-R383 IonicContact OE1-NE 2.74Å; E371-R383 PolarHBondContact OE1-NE 3.41Å; E371-R383 IonicContact OE1-NH2 2.71Å; E371-R383 PolarHBondContact OE1-NH2 3.37Å; E371-R383 VanDerWaalsContact OE2-CB 3.28Å; E371-R383 WeakPolarHBondContact OE2-CB 3.27Å; E371-R383 WeakPolarHBondContact OE2-CG 3.24Å; E371-R383 PolarHBondContact OE2-N 2.8Å; E371-R383 IonicContact OE2-NE 3.81Å; E371-R383 PolarHBondContact OE2-NE 3.49Å; R383-W424 HydrophobicContact CB-CH2 3.82Å; R383-W424 HydrophobicContact CB-CZ2 3.91Å; R383-W424 HydrophobicContact CG-CH2 3.83Å; R383-W424 HydrophobicContact CG-CZ2 4.41Å; R383-L431 HydrophobicContact CB-CD2 4.38Å; R383-L431 HydrophobicContact CG-CD2 3.84Å; R383-E516 IonicContact NH1-OE1 3.52Å |
| 384 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -117.5 | 132.3 | 173.1 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | G354 A386 W424 L430 F432 | G354-S384 PolarHBondContact N-OG 2.81Å; S384-A386 VanDerWaalsContact C-N 3.28Å; S384-A386 PolarHBondContact O-N 3.04Å; S384-A386 PolarHBondContact OG-O 3.48Å; S384-W424 PolarHBondContact O-NE1 3.01Å; S384-L430 PolarHBondContact N-O 3.49Å; S384-F432 VanDerWaalsContact CB-CD1 3.5Å | ||
| 385 | P | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -58.5 | -39.3 | 176.6 | -26.6 | 35.9 | 0 | 0 | 0 | 113.1 | G354 W356 W424 F513 A518 I521 | G354-P385 WeakPolarHBondContact O-CD 3.3Å; W356-P385 HydrophobicContact CH2-CB 4.1Å; W356-P385 HydrophobicContact CZ3-CB 3.78Å; P385-W424 PolarHBondContact O-NE1 3.4Å; P385-F513 HydrophobicContact CB-CZ 4.17Å; P385-A518 HydrophobicContact CB-CB 3.84Å; P385-A518 HydrophobicContact CG-CB 4Å; P385-I521 HydrophobicContact CB-CD1 4.28Å |
| 386 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -140.9 | 162.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G354 W356 S384 F417 S420 | G354-A386 WeakPolarHBondContact CA-O 3.15Å; G354-A386 PolarHBondContact O-N 3.26Å; W356-A386 HydrophobicContact CE3-CB 4.03Å; W356-A386 HydrophobicContact CZ3-CB 3.94Å; S384-A386 VanDerWaalsContact C-N 3.28Å; S384-A386 PolarHBondContact O-N 3.04Å; S384-A386 PolarHBondContact OG-O 3.48Å; A386-F417 HydrophobicContact CB-CD1 3.9Å; A386-F417 HydrophobicContact CB-CE1 4.04Å; A386-S420 WeakPolarHBondContact CA-OG 3.22Å |
| 387 | M | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -101.2 | 157.6 | 169.8 | 63.9 | 177.2 | 74.8 | 0 | 0 | 111.1 | C325 V327 G389 F392 N416 I419 S420 I423 L430 | C325-M387 VanDerWaalsContact SG-CE 3.59Å; V327-M387 HydrophobicContact CG2-CB 3.82Å; V327-M387 HydrophobicContact CG2-CE 4.46Å; M387-G389 PolarHBondContact O-N 3.16Å; M387-F392 HydrophobicContact CE-CB 4.31Å; M387-F392 HydrophobicContact CE-CD2 4.44Å; M387-F392 HydrophobicContact CE-CG 4.3Å; M387-F392 HydrophobicContact SD-CB 4.09Å; M387-F392 HydrophobicContact SD-CD1 3.95Å; M387-F392 HydrophobicContact SD-CG 3.97Å; M387-N416 HydrophobicContact CG-CB 4.43Å; M387-N416 PolarHBondContact O-ND2 2.89Å; M387-N416 VanDerWaalsContact O-ND2 3.07Å; M387-I419 HydrophobicContact CE-CG2 3.9Å; M387-I419 HydrophobicContact CG-CG2 4.49Å; M387-I419 HydrophobicContact SD-CG2 3.84Å; M387-S420 PolarHBondContact N-OG 3.48Å; M387-S420 VanDerWaalsContact N-OG 3.13Å; M387-I423 HydrophobicContact CE-CD1 4.21Å; M387-L430 HydrophobicContact CB-CD1 4.42Å; M387-L430 HydrophobicContact CB-CD2 4.05Å; M387-L430 HydrophobicContact CE-CD1 3.45Å; M387-L430 VanDerWaalsContact CE-CD1 3.45Å; M387-L430 HydrophobicContact CE-CD2 4.16Å; M387-L430 HydrophobicContact CE-CG 4.46Å | ||
| 388 | A | 95.9 | Very high | 97.7 | Very high | 35 Ų | 35 | 20.7 Ų | 20.7 | 29% | 0.289 | 10% | 0.104 | S | C | . | . | trans | -66.4 | -28.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | I330 W362 | I330-A388 HydrophobicContact CD1-CB 3.99Å; W362-A388 HydrophobicContact CZ2-CB 3.91Å | ||
| 389 | G | 91.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 105.5 | -27.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R284 M387 N416 | R284-G389 PolarHBondContact NH1-O 2.92Å; M387-G389 PolarHBondContact O-N 3.16Å; G389-N416 VanDerWaalsContact CA-CB 3.49Å |
| 390 | G | 90.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 20.1 Ų | 20.1 | 10% | 0.103 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -60.6 | -51.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R284 D301 | R284-G390 PolarHBondContact NH2-O 3.29Å; D301-G390 WeakPolarHBondContact OD2-CA 3.48Å |
| 391 | L | 97.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -127.5 | 116.9 | -162.7 | -40.2 | 175.5 | 0 | 0 | 0 | 109.3 | Y299 L300 D301 C304 P328 I330 V438 | Y299-L391 WeakPolarHBondContact O-CA 3.05Å; L300-L391 HydrophobicContact CB-CD2 4.34Å; L300-L391 HydrophobicContact CD2-CB 4.47Å; L300-L391 HydrophobicContact CD2-CD2 3.96Å; D301-L391 HydrophobicContact CB-CD2 4.19Å; C304-L391 VanDerWaalsContact SG-CD2 3.51Å; P328-L391 HydrophobicContact CG-CB 4.07Å; I330-L391 HydrophobicContact CB-CD1 4.41Å; I330-L391 HydrophobicContact CD1-CB 4.35Å; I330-L391 HydrophobicContact CD1-CD1 3.86Å; I330-L391 HydrophobicContact CD1-CG 4.1Å; I330-L391 HydrophobicContact CG1-CD1 3.9Å; I330-L391 HydrophobicContact CG2-CD1 3.88Å; L391-V438 HydrophobicContact CD1-CB 4Å; L391-V438 HydrophobicContact CD1-CG1 3.85Å |
| 392 | F | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 163 | 176 | 69.2 | -81.4 | 0 | 0 | 0 | 111.1 | I298 Y299 T326 V327 M387 I394 F399 Y405 | I298-F392 CarbonylContact C-O 3.55Å; I298-F392 WeakPolarHBondContact CA-O 3.42Å; Y299-F392 HydrophobicContact CD2-CD1 4.34Å; Y299-F392 HydrophobicContact CD2-CD2 4.47Å; Y299-F392 AromaticContact CD2-CE1 3.65Å; Y299-F392 HydrophobicContact CD2-CE1 3.65Å; Y299-F392 AromaticContact CD2-CE2 3.82Å; Y299-F392 HydrophobicContact CD2-CE2 3.82Å; Y299-F392 AromaticContact CD2-CZ 3.35Å; Y299-F392 HydrophobicContact CD2-CZ 3.35Å; Y299-F392 HydrophobicContact CE2-CE1 4.45Å; Y299-F392 HydrophobicContact CE2-CE2 4.24Å; Y299-F392 AromaticContact CE2-CZ 3.79Å; Y299-F392 HydrophobicContact CE2-CZ 3.79Å; Y299-F392 HydrophobicContact CG-CD1 4.47Å; Y299-F392 AromaticContact CG-CE1 3.85Å; Y299-F392 HydrophobicContact CG-CE1 3.85Å; Y299-F392 HydrophobicContact CG-CZ 4.02Å; Y299-F392 PolarHBondContact N-O 3.29Å; Y299-F392 PolarHBondContact O-N 2.77Å; T326-F392 CarbonylContact O-C 3.57Å; T326-F392 VanDerWaalsContact O-CA 3.32Å; T326-F392 WeakPolarHBondContact O-CA 3.1Å; V327-F392 HydrophobicContact CG2-CB 3.89Å; M387-F392 HydrophobicContact CE-CB 4.31Å; M387-F392 HydrophobicContact CE-CD2 4.44Å; M387-F392 HydrophobicContact CE-CG 4.3Å; M387-F392 HydrophobicContact SD-CB 4.09Å; M387-F392 HydrophobicContact SD-CD1 3.95Å; M387-F392 HydrophobicContact SD-CG 3.97Å; F392-I394 HydrophobicContact CD2-CB 4.28Å; F392-I394 HydrophobicContact CD2-CG2 4.13Å; F392-I394 HydrophobicContact CE2-CB 4.25Å; F392-I394 HydrophobicContact CE2-CG2 3.67Å; F392-F399 HydrophobicContact CZ-CE1 4.37Å; F392-F399 HydrophobicContact CZ-CZ 4.26Å; F392-Y405 WeakPolarHBondContact CE1-OH 3.47Å |
| 393 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V296 L297 I298 L314 I318 C325 T326 | V296-A393 HydrophobicContact CG1-CB 4.02Å; L297-A393 VanDerWaalsContact O-CA 3.25Å; L297-A393 WeakPolarHBondContact O-CA 3Å; I298-A393 HydrophobicContact CB-CB 4.42Å; I298-A393 HydrophobicContact CG1-CB 3.78Å; I298-A393 HydrophobicContact CG2-CB 4.41Å; L314-A393 HydrophobicContact CD1-CB 4.44Å; L314-A393 HydrophobicContact CD2-CB 3.89Å; L314-A393 HydrophobicContact CG-CB 3.89Å; I318-A393 HydrophobicContact CD1-CB 3.75Å; I318-A393 WeakPolarHBondContact CD1-O 3.39Å; C325-A393 WeakPolarHBondContact CA-O 3.45Å; C325-A393 PolarHBondContact SG-O 3.49Å; T326-A393 PolarHBondContact N-O 3.38Å; T326-A393 PolarHBondContact O-N 3Å |
| 394 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.5 | -179.6 | -170 | 166.7 | 0 | 0 | 0 | 109.8 | V296 L297 C325 F392 R396 F398 F399 L402 I423 | V296-I394 WeakPolarHBondContact CA-O 3.4Å; V296-I394 WeakPolarHBondContact CG1-O 3.26Å; L297-I394 HydrophobicContact CB-CG2 4.42Å; L297-I394 PolarHBondContact N-O 2.99Å; L297-I394 PolarHBondContact O-N 2.89Å; C325-I394 HydrophobicContact CB-CB 4.5Å; C325-I394 HydrophobicContact CB-CD1 4.29Å; C325-I394 HydrophobicContact CB-CG1 4.36Å; F392-I394 HydrophobicContact CD2-CB 4.28Å; F392-I394 HydrophobicContact CD2-CG2 4.13Å; F392-I394 HydrophobicContact CE2-CB 4.25Å; F392-I394 HydrophobicContact CE2-CG2 3.67Å; I394-R396 PolarHBondContact O-N 2.68Å; I394-F398 HydrophobicContact CD1-CD1 3.72Å; I394-F398 HydrophobicContact CD1-CE1 4.07Å; I394-F398 HydrophobicContact CG1-CD1 3.75Å; I394-F398 HydrophobicContact CG1-CE1 4.43Å; I394-F399 HydrophobicContact CD1-CB 3.97Å; I394-F399 HydrophobicContact CD1-CD2 4.1Å; I394-F399 HydrophobicContact CD1-CG 4.24Å; I394-F399 HydrophobicContact CG1-CB 4.23Å; I394-F399 HydrophobicContact CG2-CB 3.74Å; I394-F399 HydrophobicContact CG2-CD1 3.97Å; I394-F399 HydrophobicContact CG2-CG 3.85Å; I394-L402 HydrophobicContact CD1-CD1 4Å; I394-I423 HydrophobicContact CD1-CD1 4.45Å |
| 395 | E | 98.9 | Very high | 97.8 | Very high | 23 Ų | 23 | 18.5 Ų | 18.5 | 11% | 0.107 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 132.6 | 172.3 | -164.5 | -100.5 | -141.3 | 0 | 0 | 109.5 | I318 R322 E397 F398 F399 | I318-E395 HydrophobicContact CG2-CB 3.74Å; R322-E395 HydrophobicContact CB-CB 4.26Å; R322-E395 HydrophobicContact CB-CG 4.07Å; R322-E395 IonicContact CZ-OE1 3.82Å; R322-E395 IonicContact CZ-OE2 2.72Å; R322-E395 IonicContact NE-OE1 2.68Å; R322-E395 PolarHBondContact NE-OE1 3.18Å; R322-E395 IonicContact NE-OE2 3.22Å; R322-E395 IonicContact NH2-OE1 3.36Å; R322-E395 PolarHBondContact NH2-OE1 3.29Å; R322-E395 IonicContact NH2-OE2 2.67Å; R322-E395 PolarHBondContact NH2-OE2 3.17Å; R322-E395 WeakPolarHBondContact O-CB 3.24Å; E395-E397 PolarHBondContact O-N 2.81Å; E395-E397 VanDerWaalsContact OE2-CA 3.24Å; E395-E397 WeakPolarHBondContact OE2-CA 2.9Å; E395-E397 VanDerWaalsContact OE2-CB 3.27Å; E395-E397 WeakPolarHBondContact OE2-CB 3.3Å; E395-E397 PolarHBondContact OE2-N 3.46Å; E395-F398 HydrophobicContact CB-CB 4.17Å; E395-F398 PolarHBondContact O-N 3Å; E395-F398 PolarHBondContact OE2-N 2.67Å; E395-F399 PolarHBondContact O-N 3.27Å |
| 396 | R | 98.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 18.7 Ų | 18.7 | 21% | 0.211 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.8 | -50.2 | -167.8 | -179.4 | 178.1 | 177.3 | -71.6 | -7.6 | 111.1 | A288 A291 Q295 L297 I394 F398 F399 F400 | A288-R396 PolarHBondContact O-NH2 2.74Å; A291-R396 PolarHBondContact O-NE 2.71Å; Q295-R396 VanDerWaalsContact O-CB 3.3Å; Q295-R396 WeakPolarHBondContact O-CB 3.42Å; Q295-R396 PolarHBondContact O-N 3.44Å; L297-R396 HydrophobicContact CD1-CB 4.37Å; L297-R396 HydrophobicContact CD1-CG 3.98Å; L297-R396 HydrophobicContact CD2-CG 4.29Å; L297-R396 HydrophobicContact CG-CB 4.01Å; L297-R396 HydrophobicContact CG-CG 3.95Å; I394-R396 PolarHBondContact O-N 2.68Å; R396-F398 VanDerWaalsContact C-N 3.3Å; R396-F398 PolarHBondContact O-N 3.42Å; R396-F399 PolarHBondContact O-N 2.78Å; R396-F400 HydrophobicContact CG-CD2 4.09Å; R396-F400 HydrophobicContact CG-CE2 3.9Å; R396-F400 WeakPolarHBondContact O-CD2 3.48Å; R396-F400 PolarHBondContact O-N 3.05Å |
| 397 | E | 98.7 | Very high | 97.7 | Very high | 87 Ų | 87 | 23.2 Ų | 23.2 | 41% | 0.407 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.4 | -38.4 | -179.6 | -58.4 | -165.7 | 163.2 | 0 | 0 | 111.6 | K116 E395 F399 F400 E401 | K116-E397 WeakPolarHBondContact CD-OE2 3.32Å; K116-E397 IonicContact NZ-OE1 2.76Å; K116-E397 IonicContact NZ-OE2 3.6Å; K116-E397 PolarHBondContact NZ-OE2 3.25Å; E395-E397 PolarHBondContact O-N 2.81Å; E395-E397 VanDerWaalsContact OE2-CA 3.24Å; E395-E397 WeakPolarHBondContact OE2-CA 2.9Å; E395-E397 VanDerWaalsContact OE2-CB 3.27Å; E395-E397 WeakPolarHBondContact OE2-CB 3.3Å; E395-E397 PolarHBondContact OE2-N 3.46Å; E397-F399 VanDerWaalsContact C-N 3.32Å; E397-F399 PolarHBondContact O-N 3.46Å; E397-F400 CarbonylContact O-C 3.57Å; E397-F400 WeakPolarHBondContact O-CB 3.42Å; E397-F400 PolarHBondContact O-N 3.19Å; E397-F400 VanDerWaalsContact O-N 3.15Å; E397-E401 VanDerWaalsContact O-CG 3.32Å; E397-E401 WeakPolarHBondContact O-CG 3.45Å; E397-E401 PolarHBondContact O-N 3.34Å |
| 398 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 177.9 | -179.9 | -130.6 | 0 | 0 | 0 | 110.5 | F115 R322 T323 I394 E395 R396 F400 E401 L402 | F115-F398 HydrophobicContact CD1-CD2 4.35Å; F115-F398 HydrophobicContact CD1-CE2 4.24Å; F115-F398 HydrophobicContact CD2-CD2 4.46Å; F115-F398 AromaticContact CD2-CE2 3.8Å; F115-F398 HydrophobicContact CD2-CE2 3.8Å; F115-F398 HydrophobicContact CE1-CE2 4.22Å; F115-F398 AromaticContact CE2-CE2 3.74Å; F115-F398 HydrophobicContact CE2-CE2 3.74Å; F115-F398 HydrophobicContact CG-CD2 4.28Å; F115-F398 HydrophobicContact CG-CE2 4.05Å; F115-F398 AromaticContact CZ-CE2 3.98Å; F115-F398 HydrophobicContact CZ-CE2 3.98Å; R322-F398 WeakPolarHBondContact O-CD1 3.18Å; T323-F398 HydrophobicContact CG2-CD2 4.27Å; T323-F398 HydrophobicContact CG2-CE2 4.08Å; T323-F398 HydrophobicContact CG2-CZ 4.39Å; T323-F398 VanDerWaalsContact O-CE1 3.27Å; T323-F398 WeakPolarHBondContact O-CE1 3.45Å; I394-F398 HydrophobicContact CD1-CD1 3.72Å; I394-F398 HydrophobicContact CD1-CE1 4.07Å; I394-F398 HydrophobicContact CG1-CD1 3.75Å; I394-F398 HydrophobicContact CG1-CE1 4.43Å; E395-F398 HydrophobicContact CB-CB 4.17Å; E395-F398 PolarHBondContact O-N 3Å; E395-F398 PolarHBondContact OE2-N 2.67Å; R396-F398 VanDerWaalsContact C-N 3.3Å; R396-F398 PolarHBondContact O-N 3.42Å; F398-F400 VanDerWaalsContact C-N 3.31Å; F398-F400 PolarHBondContact O-N 3.49Å; F398-E401 WeakPolarHBondContact CA-OE2 3.44Å; F398-E401 PolarHBondContact O-N 3.44Å; F398-L402 HydrophobicContact CD1-CD1 4.2Å; F398-L402 HydrophobicContact CD2-CD1 4.44Å; F398-L402 HydrophobicContact CD2-CG 4.2Å; F398-L402 HydrophobicContact CE1-CD1 3.78Å; F398-L402 HydrophobicContact CE1-CG 4.48Å; F398-L402 HydrophobicContact CE2-CD1 4.04Å; F398-L402 HydrophobicContact CE2-CD2 3.89Å; F398-L402 HydrophobicContact CE2-CG 3.85Å; F398-L402 HydrophobicContact CZ-CD1 3.69Å; F398-L402 HydrophobicContact CZ-CD2 4.02Å; F398-L402 HydrophobicContact CZ-CG 4Å; F398-L402 VanDerWaalsContact O-CG 3.3Å; F398-L402 WeakPolarHBondContact O-CG 3.46Å; F398-L402 PolarHBondContact O-N 3.12Å |
| 399 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.2 | -163.8 | -155.3 | 0 | 0 | 0 | 112.4 | A288 L297 Y299 F392 I394 E395 R396 E397 L402 L404 Y405 I419 | A288-F399 HydrophobicContact CB-CD1 4.44Å; L297-F399 HydrophobicContact CD1-CD1 3.93Å; Y299-F399 HydrophobicContact CE2-CD1 4.32Å; Y299-F399 AromaticContact CE2-CE1 3.84Å; Y299-F399 HydrophobicContact CE2-CE1 3.84Å; F392-F399 HydrophobicContact CZ-CE1 4.37Å; F392-F399 HydrophobicContact CZ-CZ 4.26Å; I394-F399 HydrophobicContact CD1-CB 3.97Å; I394-F399 HydrophobicContact CD1-CD2 4.1Å; I394-F399 HydrophobicContact CD1-CG 4.24Å; I394-F399 HydrophobicContact CG1-CB 4.23Å; I394-F399 HydrophobicContact CG2-CB 3.74Å; I394-F399 HydrophobicContact CG2-CD1 3.97Å; I394-F399 HydrophobicContact CG2-CG 3.85Å; E395-F399 PolarHBondContact O-N 3.27Å; R396-F399 PolarHBondContact O-N 2.78Å; E397-F399 VanDerWaalsContact C-N 3.32Å; E397-F399 PolarHBondContact O-N 3.46Å; F399-L402 PolarHBondContact O-N 2.87Å; F399-L404 HydrophobicContact CB-CD2 4.23Å; F399-L404 HydrophobicContact CD1-CD2 3.53Å; F399-L404 HydrophobicContact CD2-CD2 4.16Å; F399-L404 HydrophobicContact CE1-CD2 3.85Å; F399-L404 HydrophobicContact CE2-CB 4.45Å; F399-L404 HydrophobicContact CE2-CD2 4.43Å; F399-L404 HydrophobicContact CG-CD2 3.7Å; F399-L404 HydrophobicContact CZ-CB 4.45Å; F399-L404 HydrophobicContact CZ-CD2 4.29Å; F399-L404 WeakPolarHBondContact O-CA 3.41Å; F399-L404 PolarHBondContact O-N 3.48Å; F399-Y405 HydrophobicContact CZ-CD2 4.07Å; F399-Y405 AromaticContact CZ-CE2 3.97Å; F399-Y405 HydrophobicContact CZ-CE2 3.97Å; F399-Y405 HydrophobicContact CZ-CG 4.48Å; F399-I419 HydrophobicContact CD2-CD1 4.02Å; F399-I419 HydrophobicContact CE2-CD1 3.68Å; F399-I419 HydrophobicContact CE2-CG1 4.09Å |
| 400 | F | 98.8 | Very high | 97.7 | Very high | 71 Ų | 71 | 26.6 Ų | 26.6 | 31% | 0.311 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.1 | -39.1 | 172.5 | -80.6 | -81.4 | 0 | 0 | 0 | 112.6 | A288 Q289 R396 E397 F398 L402 G403 L404 | A288-F400 HydrophobicContact CB-CE2 4.23Å; A288-F400 HydrophobicContact CB-CZ 4.06Å; A288-F400 WeakPolarHBondContact O-CZ 3.47Å; Q289-F400 HydrophobicContact CG-CE1 4.11Å; Q289-F400 HydrophobicContact CG-CZ 4.17Å; R396-F400 HydrophobicContact CG-CD2 4.09Å; R396-F400 HydrophobicContact CG-CE2 3.9Å; R396-F400 WeakPolarHBondContact O-CD2 3.48Å; R396-F400 PolarHBondContact O-N 3.05Å; E397-F400 CarbonylContact O-C 3.57Å; E397-F400 WeakPolarHBondContact O-CB 3.42Å; E397-F400 PolarHBondContact O-N 3.19Å; E397-F400 VanDerWaalsContact O-N 3.15Å; F398-F400 VanDerWaalsContact C-N 3.31Å; F398-F400 PolarHBondContact O-N 3.49Å; F400-L402 VanDerWaalsContact C-N 3.26Å; F400-L402 PolarHBondContact O-N 3Å; F400-G403 WeakPolarHBondContact O-CA 3.3Å; F400-G403 PolarHBondContact O-N 3.36Å; F400-L404 HydrophobicContact CD1-CD1 4.1Å; F400-L404 HydrophobicContact CD1-CD2 4.08Å; F400-L404 HydrophobicContact CD1-CG 4.14Å; F400-L404 HydrophobicContact CD2-CD2 4.38Å; F400-L404 HydrophobicContact CE1-CD1 3.82Å; F400-L404 HydrophobicContact CE1-CD2 4.2Å; F400-L404 HydrophobicContact CE1-CG 4.31Å; F400-L404 HydrophobicContact CE2-CD2 4.45Å; F400-L404 HydrophobicContact CG-CD2 4.17Å; F400-L404 HydrophobicContact CZ-CD1 4.42Å; F400-L404 HydrophobicContact CZ-CD2 4.36Å |
| 401 | E | 98.6 | Very high | 97.7 | Very high | 43 Ų | 43 | 27.2 Ų | 27.2 | 20% | 0.201 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.1 | -31.4 | 175.6 | -72.8 | 174 | 125.9 | 0 | 0 | 112.1 | F115 K116 R322 E397 F398 G403 F501 | F115-E401 HydrophobicContact CD1-CB 3.76Å; F115-E401 HydrophobicContact CD1-CG 4.48Å; F115-E401 HydrophobicContact CE1-CB 4.07Å; K116-E401 VanDerWaalsContact CG-OE1 3.32Å; K116-E401 WeakPolarHBondContact CG-OE1 3.36Å; K116-E401 PolarHBondContact N-OE1 2.86Å; R322-E401 IonicContact CZ-OE2 3.66Å; R322-E401 IonicContact NH1-OE1 3.52Å; R322-E401 IonicContact NH1-OE2 2.83Å; R322-E401 PolarHBondContact NH1-OE2 2.77Å; R322-E401 IonicContact NH2-OE2 3.58Å; R322-E401 PolarHBondContact NH2-OE2 3.36Å; E397-E401 VanDerWaalsContact O-CG 3.32Å; E397-E401 WeakPolarHBondContact O-CG 3.45Å; E397-E401 PolarHBondContact O-N 3.34Å; F398-E401 WeakPolarHBondContact CA-OE2 3.44Å; F398-E401 PolarHBondContact O-N 3.44Å; E401-G403 PolarHBondContact O-N 3.47Å; E401-F501 WeakPolarHBondContact O-CE2 3.4Å |
| 402 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -1.7 | 170.9 | -67.7 | 174.8 | 0 | 0 | 0 | 113.6 | F115 I394 F398 F399 F400 I419 K422 I423 F501 | F115-L402 HydrophobicContact CE1-CD2 4.04Å; F115-L402 HydrophobicContact CE2-CD2 4.4Å; F115-L402 HydrophobicContact CZ-CD2 3.58Å; I394-L402 HydrophobicContact CD1-CD1 4Å; F398-L402 HydrophobicContact CD1-CD1 4.2Å; F398-L402 HydrophobicContact CD2-CD1 4.44Å; F398-L402 HydrophobicContact CD2-CG 4.2Å; F398-L402 HydrophobicContact CE1-CD1 3.78Å; F398-L402 HydrophobicContact CE1-CG 4.48Å; F398-L402 HydrophobicContact CE2-CD1 4.04Å; F398-L402 HydrophobicContact CE2-CD2 3.89Å; F398-L402 HydrophobicContact CE2-CG 3.85Å; F398-L402 HydrophobicContact CZ-CD1 3.69Å; F398-L402 HydrophobicContact CZ-CD2 4.02Å; F398-L402 HydrophobicContact CZ-CG 4Å; F398-L402 VanDerWaalsContact O-CG 3.3Å; F398-L402 WeakPolarHBondContact O-CG 3.46Å; F398-L402 PolarHBondContact O-N 3.12Å; F399-L402 PolarHBondContact O-N 2.87Å; F400-L402 VanDerWaalsContact C-N 3.26Å; F400-L402 PolarHBondContact O-N 3Å; L402-I419 HydrophobicContact CB-CD1 4.49Å; L402-I419 HydrophobicContact CD1-CD1 3.9Å; L402-K422 HydrophobicContact CD2-CB 4.41Å; L402-K422 VanDerWaalsContact O-CE 3.23Å; L402-K422 WeakPolarHBondContact O-CE 3.48Å; L402-K422 PolarHBondContact O-NZ 3.29Å; L402-K422 VanDerWaalsContact O-NZ 3.17Å; L402-I423 HydrophobicContact CD1-CG1 3.75Å; L402-F501 HydrophobicContact CD2-CZ 4.41Å |
| 403 | G | 98.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 34 Ų | 34 | 42% | 0.423 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 27.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | F400 E401 | F400-G403 WeakPolarHBondContact O-CA 3.3Å; F400-G403 PolarHBondContact O-N 3.36Å; E401-G403 PolarHBondContact O-N 3.47Å |
| 404 | L | 98.3 | Very high | 96.9 | Very high | 15 Ų | 15 | 34 Ų | 34 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 50.6 | -144 | -174.9 | -56.4 | 174.7 | 0 | 0 | 0 | 111.4 | A288 F399 F400 K422 | A288-L404 HydrophobicContact CB-CD1 4.49Å; A288-L404 HydrophobicContact CB-CD2 3.88Å; F399-L404 HydrophobicContact CB-CD2 4.23Å; F399-L404 HydrophobicContact CD1-CD2 3.53Å; F399-L404 HydrophobicContact CD2-CD2 4.16Å; F399-L404 HydrophobicContact CE1-CD2 3.85Å; F399-L404 HydrophobicContact CE2-CB 4.45Å; F399-L404 HydrophobicContact CE2-CD2 4.43Å; F399-L404 HydrophobicContact CG-CD2 3.7Å; F399-L404 HydrophobicContact CZ-CB 4.45Å; F399-L404 HydrophobicContact CZ-CD2 4.29Å; F399-L404 WeakPolarHBondContact O-CA 3.41Å; F399-L404 PolarHBondContact O-N 3.48Å; F400-L404 HydrophobicContact CD1-CD1 4.1Å; F400-L404 HydrophobicContact CD1-CD2 4.08Å; F400-L404 HydrophobicContact CD1-CG 4.14Å; F400-L404 HydrophobicContact CD2-CD2 4.38Å; F400-L404 HydrophobicContact CE1-CD1 3.82Å; F400-L404 HydrophobicContact CE1-CD2 4.2Å; F400-L404 HydrophobicContact CE1-CG 4.31Å; F400-L404 HydrophobicContact CE2-CD2 4.45Å; F400-L404 HydrophobicContact CG-CD2 4.17Å; F400-L404 HydrophobicContact CZ-CD1 4.42Å; F400-L404 HydrophobicContact CZ-CD2 4.36Å; L404-K422 PolarHBondContact O-NZ 2.77Å |
| 405 | Y | 98.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -79.8 | 149.4 | 165.6 | -69.8 | -59.5 | 0 | 0 | 0 | 111.2 | I281 R284 F392 F399 E415 I419 | I281-Y405 HydrophobicContact CG2-CD1 4.48Å; I281-Y405 HydrophobicContact CG2-CD2 3.97Å; I281-Y405 HydrophobicContact CG2-CG 3.83Å; R284-Y405 HydrophobicContact CB-CD2 4.39Å; R284-Y405 HydrophobicContact CB-CE2 4.01Å; F392-Y405 WeakPolarHBondContact CE1-OH 3.47Å; F399-Y405 HydrophobicContact CZ-CD2 4.07Å; F399-Y405 AromaticContact CZ-CE2 3.97Å; F399-Y405 HydrophobicContact CZ-CE2 3.97Å; F399-Y405 HydrophobicContact CZ-CG 4.48Å; Y405-E415 HydrophobicContact CD1-CB 3.85Å; Y405-E415 HydrophobicContact CD1-CG 4.49Å; Y405-E415 HydrophobicContact CE1-CB 3.8Å; Y405-E415 HydrophobicContact CE1-CG 4.01Å; Y405-E415 WeakPolarHBondContact CE1-O 3.37Å; Y405-E415 HydrophobicContact CG-CB 4.46Å; Y405-I419 HydrophobicContact CD1-CB 4.26Å; Y405-I419 HydrophobicContact CE1-CB 3.78Å; Y405-I419 HydrophobicContact CE1-CG1 4.45Å; Y405-I419 HydrophobicContact CE1-CG2 3.82Å |
| 406 | D | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | trans | -50.8 | 120.7 | 169.1 | 162.9 | 23.3 | 0 | 0 | 0 | 111.1 | Q282 G408 L409 E418 R467 L498 | Q282-D406 PolarHBondContact NE2-O 2.98Å; Q282-D406 VanDerWaalsContact NE2-O 3.11Å; D406-G408 PolarHBondContact O-N 2.89Å; D406-G408 WeakPolarHBondContact OD1-CA 3.45Å; D406-G408 PolarHBondContact OD1-N 2.88Å; D406-L409 HydrophobicContact CB-CD1 3.93Å; D406-L409 HydrophobicContact CB-CG 3.74Å; D406-L409 WeakPolarHBondContact O-CB 3.22Å; D406-L409 PolarHBondContact O-N 2.97Å; D406-L409 VanDerWaalsContact O-N 3.09Å; D406-L409 WeakPolarHBondContact OD2-CG 3.3Å; D406-E418 HydrophobicContact CB-CG 4.43Å; D406-R467 IonicContact OD1-CZ 3.64Å; D406-R467 IonicContact OD1-NE 2.81Å; D406-R467 IonicContact OD1-NH2 3.69Å; D406-R467 PolarHBondContact OD1-NH2 3.24Å; D406-R467 IonicContact OD2-CZ 2.86Å; D406-R467 IonicContact OD2-NE 3.11Å; D406-R467 PolarHBondContact OD2-NE 2.72Å; D406-R467 IonicContact OD2-NH2 3.33Å; D406-R467 PolarHBondContact OD2-NH2 2.86Å; D406-R467 VanDerWaalsContact OD2-NH2 3.11Å; D406-L498 HydrophobicContact CB-CD1 4.11Å; D406-L498 HydrophobicContact CB-CD2 3.79Å; D406-L498 VanDerWaalsContact CG-CD1 3.42Å; D406-L498 WeakPolarHBondContact OD1-CD1 3.47Å | ||
| 407 | P | 97.5 | Very high | 96.9 | Very high | 96 Ų | 96 | 31.1 Ų | 31.1 | 62% | 0.623 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.2 | -177.3 | 28.3 | -35.9 | 0 | 0 | 0 | 113.4 | Q282 | Q282-P407 PolarHBondContact NE2-O 3.25Š|
| 408 | G | 96.4 | Very high | 96.9 | Very high | 27 Ų | 27 | 27 Ų | 27 | 28% | 0.278 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D406 | D406-G408 PolarHBondContact O-N 2.89Å; D406-G408 WeakPolarHBondContact OD1-CA 3.45Å; D406-G408 PolarHBondContact OD1-N 2.88Å |
| 409 | L | 96.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | trans | -74.7 | 129.2 | 175.7 | -58.6 | 177.3 | 0 | 0 | 0 | 110.9 | I281 Q282 D406 E415 E418 N464 R467 V468 | I281-L409 HydrophobicContact CD1-CB 3.74Å; I281-L409 HydrophobicContact CG2-CB 4.06Å; I281-L409 HydrophobicContact CG2-CD1 4.37Å; Q282-L409 PolarHBondContact NE2-O 3.46Å; D406-L409 HydrophobicContact CB-CD1 3.93Å; D406-L409 HydrophobicContact CB-CG 3.74Å; D406-L409 WeakPolarHBondContact O-CB 3.22Å; D406-L409 PolarHBondContact O-N 2.97Å; D406-L409 VanDerWaalsContact O-N 3.09Å; D406-L409 WeakPolarHBondContact OD2-CG 3.3Å; L409-E415 HydrophobicContact CD1-CB 3.94Å; L409-E418 HydrophobicContact CD1-CB 4.27Å; L409-E418 HydrophobicContact CD1-CG 4.28Å; L409-N464 WeakPolarHBondContact CA-OD1 3.39Å; L409-N464 HydrophobicContact CD2-CB 3.69Å; L409-R467 HydrophobicContact CD2-CB 4.37Å; L409-V468 HydrophobicContact CD2-CG2 4.19Å | ||
| 410 | Q | 93.1 | Very high | 96.9 | Very high | 78 Ų | 78 | 27 Ų | 27 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | trans | -109.7 | 136.1 | -172.6 | -62.8 | -175.1 | -31.2 | 0 | 0 | 112.3 | W412 P460 N464 | Q410-W412 VanDerWaalsContact C-N 3.31Å; Q410-W412 PolarHBondContact O-N 3.5Å; Q410-P460 HydrophobicContact CB-CB 3.91Å; Q410-N464 PolarHBondContact N-ND2 3.46Å; Q410-N464 PolarHBondContact N-OD1 2.79Å; Q410-N464 PolarHBondContact O-ND2 2.88Å | ||
| 411 | I | 91.2 | Very high | 96.9 | Very high | 24 Ų | 24 | 23.7 Ų | 23.7 | 12% | 0.123 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | 58.5 | -74.8 | 170.6 | -54.2 | -59.9 | 0 | 0 | 0 | 115.3 | L280 P453 V456 | L280-I411 WeakPolarHBondContact CB-O 3.38Å; L280-I411 PolarHBondContact N-O 3.43Å; I411-P453 HydrophobicContact CD1-CG 3.81Å; I411-V456 HydrophobicContact CD1-CG2 4.24Å; I411-V456 HydrophobicContact CG1-CG1 4.28Å; I411-V456 HydrophobicContact CG1-CG2 4.09Å |
| 412 | W | 92.3 | Very high | 96.9 | Very high | 145 Ų | 145 | 21.8 Ų | 21.8 | 55% | 0.549 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -159.8 | 144.6 | -171.4 | -174.5 | 85.9 | 0 | 0 | 0 | 112 | Q410 T461 N464 | Q410-W412 VanDerWaalsContact C-N 3.31Å; Q410-W412 PolarHBondContact O-N 3.5Å; W412-T461 HydrophobicContact CE3-CG2 4.19Å; W412-T461 HydrophobicContact CZ3-CG2 4.22Å; W412-T461 WeakPolarHBondContact O-CB 3.35Å; W412-T461 PolarHBondContact O-OG1 3.09Å; W412-N464 PolarHBondContact O-ND2 2.88Å |
| 413 | G | 92.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 95.6 | 139.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | E415 N464 | G413-E415 VanDerWaalsContact C-N 3.26Å; G413-E415 WeakPolarHBondContact CA-OE2 3.38Å; G413-E415 PolarHBondContact N-OE2 2.73Å; G413-E415 PolarHBondContact O-N 2.89Å; G413-N464 WeakPolarHBondContact O-CB 3.49Å; G413-N464 PolarHBondContact O-ND2 3.48Å |
| 414 | G | 94.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 89 | -24.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N416 F417 E418 | G414-N416 VanDerWaalsContact C-N 3.32Å; G414-N416 PolarHBondContact O-N 2.86Å; G414-F417 PolarHBondContact O-N 3.11Å; G414-E418 WeakPolarHBondContact O-CB 3.49Å; G414-E418 PolarHBondContact O-N 2.64Å |
| 415 | E | 97.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 2% | 0.023 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.5 | -36.8 | -177.9 | 79.6 | -71 | 177.4 | 0 | 0 | 112.7 | I281 R284 Y405 L409 G413 F417 E418 I419 | I281-E415 HydrophobicContact CB-CB 4.41Å; I281-E415 HydrophobicContact CD1-CB 3.88Å; I281-E415 HydrophobicContact CD1-CG 4.29Å; I281-E415 HydrophobicContact CG1-CB 3.83Å; I281-E415 HydrophobicContact CG1-CG 3.83Å; I281-E415 HydrophobicContact CG2-CB 3.77Å; I281-E415 HydrophobicContact CG2-CG 4.32Å; R284-E415 IonicContact NH1-OE1 3.62Å; Y405-E415 HydrophobicContact CD1-CB 3.85Å; Y405-E415 HydrophobicContact CD1-CG 4.49Å; Y405-E415 HydrophobicContact CE1-CB 3.8Å; Y405-E415 HydrophobicContact CE1-CG 4.01Å; Y405-E415 WeakPolarHBondContact CE1-O 3.37Å; Y405-E415 HydrophobicContact CG-CB 4.46Å; L409-E415 HydrophobicContact CD1-CB 3.94Å; G413-E415 VanDerWaalsContact C-N 3.26Å; G413-E415 WeakPolarHBondContact CA-OE2 3.38Å; G413-E415 PolarHBondContact N-OE2 2.73Å; G413-E415 PolarHBondContact O-N 2.89Å; E415-F417 VanDerWaalsContact C-N 3.28Å; E415-F417 PolarHBondContact O-N 2.92Å; E415-E418 PolarHBondContact O-N 3.01Å; E415-I419 WeakPolarHBondContact O-CG2 3.49Å; E415-I419 PolarHBondContact O-N 2.87Å; E415-I419 VanDerWaalsContact O-N 3.12Å |
| 416 | N | 98.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 20.2 Ų | 20.2 | 6% | 0.059 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.2 | -35.5 | -179.7 | 67.4 | -62.1 | 0 | 0 | 0 | 111.4 | M387 G389 G414 S420 | M387-N416 HydrophobicContact CG-CB 4.43Å; M387-N416 PolarHBondContact O-ND2 2.89Å; M387-N416 VanDerWaalsContact O-ND2 3.07Å; G389-N416 VanDerWaalsContact CA-CB 3.49Å; G414-N416 VanDerWaalsContact C-N 3.32Å; G414-N416 PolarHBondContact O-N 2.86Å; N416-S420 WeakPolarHBondContact O-CB 3.39Å; N416-S420 PolarHBondContact O-N 3.09Å; N416-S420 PolarHBondContact O-OG 3.47Å |
| 417 | F | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -77.4 | -44 | 175.9 | -65.4 | -59.9 | 0 | 0 | 0 | 111.7 | W356 M360 W362 A386 G414 E415 I419 S420 Y421 | W356-F417 HydrophobicContact CB-CE1 3.69Å; W356-F417 HydrophobicContact CB-CZ 3.75Å; W356-F417 HydrophobicContact CD2-CE1 4.29Å; W356-F417 HydrophobicContact CE3-CD1 4.08Å; W356-F417 AromaticContact CE3-CE1 3.91Å; W356-F417 HydrophobicContact CE3-CE1 3.91Å; W356-F417 HydrophobicContact CG-CE1 4.23Å; M360-F417 HydrophobicContact CE-CB 3.46Å; M360-F417 VanDerWaalsContact CE-CB 3.46Å; M360-F417 HydrophobicContact CE-CD2 3.7Å; M360-F417 HydrophobicContact CE-CG 3.86Å; M360-F417 HydrophobicContact CG-CD2 3.82Å; M360-F417 HydrophobicContact CG-CE2 4Å; M360-F417 HydrophobicContact CG-CG 4.48Å; M360-F417 VanDerWaalsContact O-CE2 3.26Å; M360-F417 WeakPolarHBondContact O-CE2 3.45Å; M360-F417 HydrophobicContact SD-CD2 4.47Å; W362-F417 HydrophobicContact CB-CZ 4.1Å; A386-F417 HydrophobicContact CB-CD1 3.9Å; A386-F417 HydrophobicContact CB-CE1 4.04Å; G414-F417 PolarHBondContact O-N 3.11Å; E415-F417 VanDerWaalsContact C-N 3.28Å; E415-F417 PolarHBondContact O-N 2.92Å; F417-I419 PolarHBondContact O-N 2.79Å; F417-S420 WeakPolarHBondContact O-CB 3.36Å; F417-S420 PolarHBondContact O-N 3.42Å; F417-Y421 HydrophobicContact CB-CD2 4.33Å; F417-Y421 HydrophobicContact CB-CE2 3.62Å; F417-Y421 WeakPolarHBondContact O-CD2 3.37Å; F417-Y421 PolarHBondContact O-N 3.07Å |
| 418 | E | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -52.3 | -51.9 | 178.6 | -166.7 | -92.7 | 170.7 | 0 | 0 | 112 | D406 L409 G414 E415 S420 Y421 K422 V468 | D406-E418 HydrophobicContact CB-CG 4.43Å; L409-E418 HydrophobicContact CD1-CB 4.27Å; L409-E418 HydrophobicContact CD1-CG 4.28Å; G414-E418 WeakPolarHBondContact O-CB 3.49Å; G414-E418 PolarHBondContact O-N 2.64Å; E415-E418 PolarHBondContact O-N 3.01Å; E418-S420 VanDerWaalsContact C-N 3.33Å; E418-S420 PolarHBondContact O-N 3.13Å; E418-Y421 PolarHBondContact O-N 3.41Å; E418-K422 PolarHBondContact O-N 2.93Å; E418-K422 VanDerWaalsContact OE1-CD 3.3Å; E418-K422 WeakPolarHBondContact OE1-CD 3.39Å; E418-K422 WeakPolarHBondContact OE1-CE 3.42Å; E418-K422 IonicContact OE1-NZ 3.74Å; E418-K422 PolarHBondContact OE1-NZ 2.78Å; E418-K422 IonicContact OE2-NZ 2.65Å; E418-V468 HydrophobicContact CB-CG1 4.18Å; E418-V468 HydrophobicContact CB-CG2 3.7Å; E418-V468 HydrophobicContact CG-CG2 3.96Å |
| 419 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.3 | -34.1 | 178.7 | -166.2 | 54.3 | 0 | 0 | 0 | 112.3 | M387 F399 L402 Y405 E415 F417 Y421 K422 I423 | M387-I419 HydrophobicContact CE-CG2 3.9Å; M387-I419 HydrophobicContact CG-CG2 4.49Å; M387-I419 HydrophobicContact SD-CG2 3.84Å; F399-I419 HydrophobicContact CD2-CD1 4.02Å; F399-I419 HydrophobicContact CE2-CD1 3.68Å; F399-I419 HydrophobicContact CE2-CG1 4.09Å; L402-I419 HydrophobicContact CB-CD1 4.49Å; L402-I419 HydrophobicContact CD1-CD1 3.9Å; Y405-I419 HydrophobicContact CD1-CB 4.26Å; Y405-I419 HydrophobicContact CE1-CB 3.78Å; Y405-I419 HydrophobicContact CE1-CG1 4.45Å; Y405-I419 HydrophobicContact CE1-CG2 3.82Å; E415-I419 WeakPolarHBondContact O-CG2 3.49Å; E415-I419 PolarHBondContact O-N 2.87Å; E415-I419 VanDerWaalsContact O-N 3.12Å; F417-I419 PolarHBondContact O-N 2.79Å; I419-Y421 PolarHBondContact O-N 2.89Å; I419-K422 HydrophobicContact CD1-CB 4.36Å; I419-K422 HydrophobicContact CD1-CD 4.19Å; I419-K422 PolarHBondContact O-N 3.16Å; I419-I423 HydrophobicContact CD1-CD1 4.32Å; I419-I423 HydrophobicContact CD1-CG1 4.35Å; I419-I423 HydrophobicContact CG1-CD1 3.85Å; I419-I423 HydrophobicContact CG1-CG1 4.38Å; I419-I423 WeakPolarHBondContact O-CB 3.41Å; I419-I423 VanDerWaalsContact O-CD1 3.32Å; I419-I423 WeakPolarHBondContact O-CD1 3.48Å; I419-I423 WeakPolarHBondContact O-CG1 3.16Å; I419-I423 PolarHBondContact O-N 3.45Å |
| 420 | S | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 176.8 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | A386 M387 N416 F417 E418 W424 | A386-S420 WeakPolarHBondContact CA-OG 3.22Å; M387-S420 PolarHBondContact N-OG 3.48Å; M387-S420 VanDerWaalsContact N-OG 3.13Å; N416-S420 WeakPolarHBondContact O-CB 3.39Å; N416-S420 PolarHBondContact O-N 3.09Å; N416-S420 PolarHBondContact O-OG 3.47Å; F417-S420 WeakPolarHBondContact O-CB 3.36Å; F417-S420 PolarHBondContact O-N 3.42Å; E418-S420 VanDerWaalsContact C-N 3.33Å; E418-S420 PolarHBondContact O-N 3.13Å; S420-W424 VanDerWaalsContact O-CD1 3.29Å; S420-W424 PolarHBondContact O-N 2.71Å; S420-W424 VanDerWaalsContact O-N 3.09Å |
| 421 | Y | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.6 | -44 | 178.1 | -59.1 | -31.2 | 0 | 0 | 0 | 112 | W356 M360 F417 E418 I419 I423 W424 Q425 V468 W472 W473 F510 F513 | W356-Y421 HydrophobicContact CE3-CE1 4.45Å; W356-Y421 AromaticContact CH2-CE1 3.78Å; W356-Y421 HydrophobicContact CH2-CE1 3.78Å; W356-Y421 HydrophobicContact CZ2-CE1 4Å; W356-Y421 AromaticContact CZ3-CE1 3.96Å; W356-Y421 HydrophobicContact CZ3-CE1 3.96Å; M360-Y421 HydrophobicContact CE-CE2 4.16Å; F417-Y421 HydrophobicContact CB-CD2 4.33Å; F417-Y421 HydrophobicContact CB-CE2 3.62Å; F417-Y421 WeakPolarHBondContact O-CD2 3.37Å; F417-Y421 PolarHBondContact O-N 3.07Å; E418-Y421 PolarHBondContact O-N 3.41Å; I419-Y421 PolarHBondContact O-N 2.89Å; Y421-I423 PolarHBondContact O-N 2.83Å; Y421-W424 PolarHBondContact O-N 3.39Å; Y421-Q425 VanDerWaalsContact O-CB 3.25Å; Y421-Q425 WeakPolarHBondContact O-CB 3.45Å; Y421-Q425 WeakPolarHBondContact O-CG 3.49Å; Y421-Q425 PolarHBondContact O-N 3.02Å; Y421-V468 HydrophobicContact CD2-CG1 3.7Å; Y421-V468 HydrophobicContact CE2-CG1 3.73Å; Y421-W472 HydrophobicContact CD2-CB 3.92Å; Y421-W472 HydrophobicContact CD2-CG 4.29Å; Y421-W472 HydrophobicContact CG-CB 4.32Å; Y421-W473 AromaticContact CD2-NE1 3.92Å; Y421-W473 AromaticContact CE2-CD1 3.89Å; Y421-W473 AromaticContact CE2-NE1 3.11Å; Y421-W473 AromaticContact CZ-NE1 3.34Å; Y421-W473 VanDerWaalsContact CZ-NE1 3.34Å; Y421-W473 PolarHBondContact OH-NE1 3.35Å; Y421-F510 HydrophobicContact CD1-CE2 4.07Å; Y421-F510 AromaticContact CE1-CE2 3.93Å; Y421-F510 HydrophobicContact CE1-CE2 3.93Å; Y421-F510 HydrophobicContact CE1-CZ 4.5Å; Y421-F513 HydrophobicContact CD1-CD1 4.42Å; Y421-F513 AromaticContact CD1-CE1 3.67Å; Y421-F513 HydrophobicContact CD1-CE1 3.67Å; Y421-F513 AromaticContact CD1-CZ 3.85Å; Y421-F513 HydrophobicContact CD1-CZ 3.85Å; Y421-F513 AromaticContact CE1-CE1 3.61Å; Y421-F513 HydrophobicContact CE1-CE1 3.61Å; Y421-F513 AromaticContact CE1-CZ 3.91Å; Y421-F513 HydrophobicContact CE1-CZ 3.91Å |
| 422 | K | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 1% | 0.013 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -51.3 | -54.4 | 171.4 | -84.8 | 178.1 | 161.2 | 167 | 0 | 111.5 | L402 L404 E418 I419 W424 C426 W472 F501 | L402-K422 HydrophobicContact CD2-CB 4.41Å; L402-K422 VanDerWaalsContact O-CE 3.23Å; L402-K422 WeakPolarHBondContact O-CE 3.48Å; L402-K422 PolarHBondContact O-NZ 3.29Å; L402-K422 VanDerWaalsContact O-NZ 3.17Å; L404-K422 PolarHBondContact O-NZ 2.77Å; E418-K422 PolarHBondContact O-N 2.93Å; E418-K422 VanDerWaalsContact OE1-CD 3.3Å; E418-K422 WeakPolarHBondContact OE1-CD 3.39Å; E418-K422 WeakPolarHBondContact OE1-CE 3.42Å; E418-K422 IonicContact OE1-NZ 3.74Å; E418-K422 PolarHBondContact OE1-NZ 2.78Å; E418-K422 IonicContact OE2-NZ 2.65Å; I419-K422 HydrophobicContact CD1-CB 4.36Å; I419-K422 HydrophobicContact CD1-CD 4.19Å; I419-K422 PolarHBondContact O-N 3.16Å; K422-W424 PolarHBondContact O-N 2.77Å; K422-C426 WeakPolarHBondContact O-CB 3.49Å; K422-C426 PolarHBondContact O-N 3.07Å; K422-C426 PolarHBondContact O-SG 3.1Å; K422-C426 VanDerWaalsContact O-SG 3.33Å; K422-W472 HydrophobicContact CB-CH2 4.26Å; K422-W472 HydrophobicContact CB-CZ2 4.26Å; K422-W472 HydrophobicContact CD-CZ2 4.16Å; K422-W472 HydrophobicContact CG-CH2 3.52Å; K422-W472 HydrophobicContact CG-CZ2 3.15Å; K422-W472 HydrophobicContact CG-CZ3 4.46Å; K422-F501 HydrophobicContact CG-CE1 4.49Å |
| 423 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.2 | -53.9 | -177.5 | -69.9 | 161.1 | 0 | 0 | 0 | 110.1 | C325 M387 I394 L402 I419 Y421 G427 G428 K429 L430 | C325-I423 HydrophobicContact CB-CD1 3.56Å; C325-I423 HydrophobicContact CB-CG1 4.5Å; M387-I423 HydrophobicContact CE-CD1 4.21Å; I394-I423 HydrophobicContact CD1-CD1 4.45Å; L402-I423 HydrophobicContact CD1-CG1 3.75Å; I419-I423 HydrophobicContact CD1-CD1 4.32Å; I419-I423 HydrophobicContact CD1-CG1 4.35Å; I419-I423 HydrophobicContact CG1-CD1 3.85Å; I419-I423 HydrophobicContact CG1-CG1 4.38Å; I419-I423 WeakPolarHBondContact O-CB 3.41Å; I419-I423 VanDerWaalsContact O-CD1 3.32Å; I419-I423 WeakPolarHBondContact O-CD1 3.48Å; I419-I423 WeakPolarHBondContact O-CG1 3.16Å; I419-I423 PolarHBondContact O-N 3.45Å; Y421-I423 PolarHBondContact O-N 2.83Å; I423-G427 PolarHBondContact O-N 3.17Å; I423-G428 CarbonylContact O-C 3.56Å; I423-G428 VanDerWaalsContact O-CA 3.26Å; I423-G428 WeakPolarHBondContact O-CA 3.42Å; I423-G428 PolarHBondContact O-N 3.45Å; I423-K429 VanDerWaalsContact CG2-C 3.49Å; I423-K429 WeakPolarHBondContact CG2-O 3.17Å; I423-L430 HydrophobicContact CG2-CB 4.48Å |
| 424 | W | 98.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 10.7 Ų | 10.7 | 3% | 0.034 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.4 | -50.2 | -175.3 | -80.4 | 119.3 | 0 | 0 | 0 | 113.4 | R383 S384 P385 S420 Y421 K422 C426 G427 K429 L430 W512 F513 I517 | R383-W424 HydrophobicContact CB-CH2 3.82Å; R383-W424 HydrophobicContact CB-CZ2 3.91Å; R383-W424 HydrophobicContact CG-CH2 3.83Å; R383-W424 HydrophobicContact CG-CZ2 4.41Å; S384-W424 PolarHBondContact O-NE1 3.01Å; P385-W424 PolarHBondContact O-NE1 3.4Å; S420-W424 VanDerWaalsContact O-CD1 3.29Å; S420-W424 PolarHBondContact O-N 2.71Å; S420-W424 VanDerWaalsContact O-N 3.09Å; Y421-W424 PolarHBondContact O-N 3.39Å; K422-W424 PolarHBondContact O-N 2.77Å; W424-C426 VanDerWaalsContact C-N 3.32Å; W424-C426 PolarHBondContact O-N 3.2Å; W424-G427 PolarHBondContact O-N 2.77Å; W424-K429 HydrophobicContact CH2-CB 3.96Å; W424-K429 HydrophobicContact CH2-CG 4.3Å; W424-K429 HydrophobicContact CZ3-CB 4.04Å; W424-K429 HydrophobicContact CZ3-CG 3.99Å; W424-L430 HydrophobicContact CZ2-CB 4.02Å; W424-L430 VanDerWaalsContact CZ2-N 3.31Å; W424-L430 WeakPolarHBondContact CZ2-O 3.31Å; W424-W512 WeakPolarHBondContact O-CH2 3.42Å; W424-W512 WeakPolarHBondContact O-CZ3 3.32Å; W424-F513 HydrophobicContact CB-CD2 3.69Å; W424-F513 HydrophobicContact CB-CE2 3.78Å; W424-F513 AromaticContact CD1-CE2 3.5Å; W424-F513 VanDerWaalsContact CD1-CE2 3.5Å; W424-F513 HydrophobicContact CG-CD2 4.02Å; W424-F513 AromaticContact CG-CE2 3.7Å; W424-F513 HydrophobicContact CG-CE2 3.7Å; W424-I517 HydrophobicContact CD2-CD1 4.41Å; W424-I517 HydrophobicContact CD2-CG1 4.14Å; W424-I517 HydrophobicContact CD2-CG2 3.81Å; W424-I517 HydrophobicContact CE3-CD1 3.75Å; W424-I517 HydrophobicContact CE3-CG1 3.86Å; W424-I517 HydrophobicContact CE3-CG2 4.23Å; W424-I517 HydrophobicContact CG-CG2 4.26Å; W424-I517 HydrophobicContact CH2-CD1 4.15Å; W424-I517 HydrophobicContact CH2-CG2 4.35Å; W424-I517 HydrophobicContact CZ2-CG2 3.89Å; W424-I517 HydrophobicContact CZ3-CD1 3.61Å; W424-I517 HydrophobicContact CZ3-CG1 4.23Å; W424-I517 HydrophobicContact CZ3-CG2 4.49Å |
| 425 | Q | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -70 | -31.7 | -174.2 | -67.6 | 179.5 | 55.3 | 0 | 0 | 111.4 | Y421 W472 C507 K508 F513 | Y421-Q425 VanDerWaalsContact O-CB 3.25Å; Y421-Q425 WeakPolarHBondContact O-CB 3.45Å; Y421-Q425 WeakPolarHBondContact O-CG 3.49Å; Y421-Q425 PolarHBondContact O-N 3.02Å; Q425-W472 HydrophobicContact CB-CE3 4.48Å; Q425-W472 HydrophobicContact CB-CZ3 4.23Å; Q425-W472 PolarHBondContact NE2-O 2.94Å; Q425-C507 HydrophobicContact CB-CB 4.22Å; Q425-C507 CarbonylContact O-C 3.57Å; Q425-C507 WeakPolarHBondContact O-CA 3.21Å; Q425-K508 PolarHBondContact O-N 3.33Å; Q425-K508 PolarHBondContact OE1-O 3.26Å; Q425-F513 HydrophobicContact CG-CB 4.17Å |
| 426 | C | 98.6 | Very high | 98.7 | Very high | 16 Ų | 16 | 10.6 Ų | 10.6 | 11% | 0.108 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 6.6 | -179.7 | -51.5 | 0 | 0 | 0 | 0 | 113.6 | F115 K422 W424 C507 | F115-C426 HydrophobicContact CE2-CB 4.16Å; F115-C426 VanDerWaalsContact CE2-O 3.25Å; F115-C426 WeakPolarHBondContact CE2-O 3.27Å; F115-C426 HydrophobicContact CZ-CB 4Å; K422-C426 WeakPolarHBondContact O-CB 3.49Å; K422-C426 PolarHBondContact O-N 3.07Å; K422-C426 PolarHBondContact O-SG 3.1Å; K422-C426 VanDerWaalsContact O-SG 3.33Å; W424-C426 VanDerWaalsContact C-N 3.32Å; W424-C426 PolarHBondContact O-N 3.2Å; C426-C507 HydrophobicContact CB-CB 4.07Å; C426-C507 WeakPolarHBondContact CB-SG 3.45Å; C426-C507 WeakPolarHBondContact SG-CB 3.47Å; C426-C507 CovalentContact SG-SG 2.05Å; C426-C507 PolarHBondContact SG-SG 3.05Å |
| 427 | G | 97.9 | Very high | 98.8 | Very high | 46 Ų | 46 | 11 Ų | 11 | 47% | 0.474 | 6% | 0.064 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 105.6 | 3.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | I423 W424 | I423-G427 PolarHBondContact O-N 3.17Å; W424-G427 PolarHBondContact O-N 2.77Å |
| 428 | G | 98.6 | Very high | 98.8 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 3% | 0.031 | 6% | 0.064 | C | C | . | . | trans | -82.4 | -171.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113 | T323 I423 | T323-G428 WeakPolarHBondContact O-CA 3.39Å; I423-G428 CarbonylContact O-C 3.56Å; I423-G428 VanDerWaalsContact O-CA 3.26Å; I423-G428 WeakPolarHBondContact O-CA 3.42Å; I423-G428 PolarHBondContact O-N 3.45Å | ||
| 429 | K | 98.9 | Very high | 98.8 | Very high | 85 Ų | 85 | 11 Ų | 11 | 37% | 0.37 | 7% | 0.065 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 145.4 | 177.6 | -57.1 | 168.4 | -168.6 | 139 | 0 | 111 | D321 T323 I324 C325 I423 W424 L431 | D321-K429 IonicContact OD2-NZ 3.6Å; D321-K429 PolarHBondContact OD2-NZ 3.39Å; T323-K429 PolarHBondContact O-N 3.37Å; T323-K429 VanDerWaalsContact O-N 3.09Å; I324-K429 WeakPolarHBondContact CA-O 3.35Å; I324-K429 HydrophobicContact CD1-CD 4.31Å; I324-K429 HydrophobicContact CG1-CB 4.23Å; I324-K429 HydrophobicContact CG1-CD 4.22Å; C325-K429 PolarHBondContact N-O 3.03Å; I423-K429 VanDerWaalsContact CG2-C 3.49Å; I423-K429 WeakPolarHBondContact CG2-O 3.17Å; W424-K429 HydrophobicContact CH2-CB 3.96Å; W424-K429 HydrophobicContact CH2-CG 4.3Å; W424-K429 HydrophobicContact CZ3-CB 4.04Å; W424-K429 HydrophobicContact CZ3-CG 3.99Å; K429-L431 HydrophobicContact CB-CD2 4.42Å |
| 430 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 114.3 | 172.8 | 179.9 | 60.4 | 0 | 0 | 0 | 110.3 | C325 V327 S384 M387 I423 W424 | C325-L430 HydrophobicContact CB-CD1 4.06Å; C325-L430 WeakPolarHBondContact O-CA 3.38Å; V327-L430 HydrophobicContact CG2-CD1 3.78Å; S384-L430 PolarHBondContact N-O 3.49Å; M387-L430 HydrophobicContact CB-CD1 4.42Å; M387-L430 HydrophobicContact CB-CD2 4.05Å; M387-L430 HydrophobicContact CE-CD1 3.45Å; M387-L430 VanDerWaalsContact CE-CD1 3.45Å; M387-L430 HydrophobicContact CE-CD2 4.16Å; M387-L430 HydrophobicContact CE-CG 4.46Å; I423-L430 HydrophobicContact CG2-CB 4.48Å; W424-L430 HydrophobicContact CZ2-CB 4.02Å; W424-L430 VanDerWaalsContact CZ2-N 3.31Å; W424-L430 WeakPolarHBondContact CZ2-O 3.31Å |
| 431 | L | 98.9 | Very high | 98.7 | Very high | 20 Ų | 20 | 12.4 Ų | 12.4 | 11% | 0.105 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.2 | -173.7 | -56.2 | -176 | 0 | 0 | 0 | 112.1 | P317 I324 C325 T326 V327 P381 Y382 R383 K429 | P317-L431 HydrophobicContact CB-CD1 4.29Å; I324-L431 HydrophobicContact CD1-CD1 4.12Å; I324-L431 HydrophobicContact CG2-CB 4.48Å; I324-L431 HydrophobicContact CG2-CD1 3.68Å; I324-L431 HydrophobicContact CG2-CG 3.91Å; C325-L431 PolarHBondContact O-N 3.25Å; T326-L431 CarbonylContact C-O 3.45Å; T326-L431 VanDerWaalsContact CA-O 3.31Å; T326-L431 WeakPolarHBondContact CA-O 3.46Å; V327-L431 PolarHBondContact N-O 3.27Å; P381-L431 HydrophobicContact CB-CB 4.05Å; P381-L431 HydrophobicContact CB-CD1 4.03Å; Y382-L431 CarbonylContact O-C 3.57Å; Y382-L431 VanDerWaalsContact O-CA 3.31Å; Y382-L431 WeakPolarHBondContact O-CA 3.39Å; R383-L431 HydrophobicContact CB-CD2 4.38Å; R383-L431 HydrophobicContact CG-CD2 3.84Å; K429-L431 HydrophobicContact CB-CD2 4.42Å |
| 432 | F | 98.9 | Very high | 98.3 | Very high | 19 Ų | 19 | 17 Ų | 17 | 8% | 0.083 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 135.9 | 164.5 | -81 | 21.3 | 0 | 0 | 0 | 108.6 | V327 L329 A352 P381 Y382 S384 P434 | V327-F432 HydrophobicContact CB-CD1 3.62Å; V327-F432 HydrophobicContact CB-CE1 3.75Å; V327-F432 HydrophobicContact CG1-CD1 3.89Å; V327-F432 HydrophobicContact CG1-CE1 3.65Å; V327-F432 HydrophobicContact CG1-CZ 4.23Å; V327-F432 HydrophobicContact CG2-CD1 4.25Å; V327-F432 HydrophobicContact CG2-CE1 4.07Å; V327-F432 WeakPolarHBondContact O-CA 3.45Å; L329-F432 HydrophobicContact CD2-CB 4.12Å; L329-F432 HydrophobicContact CD2-CD2 3.96Å; L329-F432 HydrophobicContact CD2-CG 4.4Å; A352-F432 VanDerWaalsContact O-CD2 3.29Å; A352-F432 WeakPolarHBondContact O-CD2 3.41Å; P381-F432 CarbonylContact C-O 3.29Å; P381-F432 VanDerWaalsContact CA-O 3.24Å; P381-F432 WeakPolarHBondContact CA-O 3.49Å; Y382-F432 HydrophobicContact CD2-CB 4Å; Y382-F432 HydrophobicContact CE1-CB 4.12Å; Y382-F432 HydrophobicContact CE2-CB 3.49Å; Y382-F432 VanDerWaalsContact CE2-CB 3.49Å; Y382-F432 AromaticContact CE2-CD2 3.94Å; Y382-F432 HydrophobicContact CE2-CD2 3.94Å; Y382-F432 HydrophobicContact CE2-CG 4.05Å; Y382-F432 PolarHBondContact N-O 2.86Å; Y382-F432 PolarHBondContact O-N 3.5Å; S384-F432 VanDerWaalsContact CB-CD1 3.5Å; F432-P434 WeakPolarHBondContact O-CD 3.36Å |
| 433 | V | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 99.5 | -170.6 | -178.5 | 0 | 0 | 0 | 0 | 110 | P313 L314 T326 V327 P381 C435 S436 | P313-V433 HydrophobicContact CB-CG1 3.71Å; P313-V433 VanDerWaalsContact O-CG1 3.28Å; P313-V433 WeakPolarHBondContact O-CG1 3Å; L314-V433 HydrophobicContact CD1-CG2 4.42Å; T326-V433 HydrophobicContact CG2-CG2 4.08Å; V327-V433 PolarHBondContact O-N 2.88Å; P381-V433 HydrophobicContact CB-CG2 4.24Å; P381-V433 HydrophobicContact CG-CG1 4.36Å; P381-V433 HydrophobicContact CG-CG2 4.17Å; V433-C435 VanDerWaalsContact C-N 3.28Å; V433-C435 PolarHBondContact O-N 3.04Å; V433-C435 VanDerWaalsContact O-N 3.16Å; V433-S436 PolarHBondContact O-N 3.43Å |
| 434 | P | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | -38 | -175.7 | -31.8 | 36.7 | 0 | 0 | 0 | 116.4 | L329 Y351 T379 Y382 F432 S436 | L329-P434 HydrophobicContact CD1-CB 4.37Å; Y351-P434 HydrophobicContact CD1-CG 4.46Å; Y351-P434 HydrophobicContact CE1-CB 3.61Å; Y351-P434 HydrophobicContact CE1-CG 3.9Å; Y351-P434 WeakPolarHBondContact OH-CB 3.5Å; T379-P434 WeakPolarHBondContact O-CG 3.46Å; Y382-P434 HydrophobicContact CD1-CG 3.96Å; Y382-P434 HydrophobicContact CE1-CG 3.82Å; F432-P434 WeakPolarHBondContact O-CD 3.36Å; P434-S436 VanDerWaalsContact C-N 3.34Å |
| 435 | C | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -9 | -176.8 | -60.6 | 0 | 0 | 0 | 0 | 114.1 | R193 C197 P313 V433 | R193-C435 WeakPolarHBondContact CD-O 3.43Å; C197-C435 WeakPolarHBondContact CA-SG 3.21Å; C197-C435 HydrophobicContact CB-CB 3.68Å; C197-C435 WeakPolarHBondContact CB-SG 3.4Å; C197-C435 WeakPolarHBondContact SG-CA 3.14Å; C197-C435 WeakPolarHBondContact SG-CB 3.15Å; C197-C435 CovalentContact SG-SG 2.05Å; C197-C435 PolarHBondContact SG-SG 3.46Å; P313-C435 HydrophobicContact CB-CB 3.79Å; P313-C435 HydrophobicContact CG-CB 4.02Å; P313-C435 WeakPolarHBondContact CG-O 3.22Å; V433-C435 VanDerWaalsContact C-N 3.28Å; V433-C435 PolarHBondContact O-N 3.04Å; V433-C435 VanDerWaalsContact O-N 3.16Å |
| 436 | S | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.9 | 168.5 | -170.6 | 0 | 0 | 0 | 0 | 108.8 | W310 P328 L329 V433 P434 | W310-S436 VanDerWaalsContact O-CB 3.25Å; W310-S436 WeakPolarHBondContact O-CB 3.3Å; W310-S436 PolarHBondContact O-OG 2.62Å; P328-S436 CarbonylContact C-O 3.58Å; P328-S436 VanDerWaalsContact CA-O 3.29Å; P328-S436 WeakPolarHBondContact CA-O 3.5Å; P328-S436 WeakPolarHBondContact CB-O 3.23Å; L329-S436 PolarHBondContact N-O 3.44Å; V433-S436 PolarHBondContact O-N 3.43Å; P434-S436 VanDerWaalsContact C-N 3.34Å |
| 437 | R | 98.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.6 | -179.1 | -53.3 | -170.5 | 76.9 | 96.4 | -2.6 | 110.9 | R193 A307 L329 D331 | R193-R437 HydrophobicContact CG-CG 4Å; A307-R437 HydrophobicContact CB-CB 3.97Å; A307-R437 WeakPolarHBondContact CB-O 3.41Å; A307-R437 PolarHBondContact N-O 2.83Å; L329-R437 HydrophobicContact CB-CG 4.39Å; L329-R437 VanDerWaalsContact CD1-NH1 3.33Å; L329-R437 WeakPolarHBondContact O-CA 3.34Å; D331-R437 IonicContact OD1-CZ 3.49Å; D331-R437 IonicContact OD1-NE 3.98Å; D331-R437 PolarHBondContact OD1-NE 3Å; D331-R437 IonicContact OD1-NH2 3.91Å; D331-R437 PolarHBondContact OD1-NH2 3.4Å; D331-R437 IonicContact OD2-CZ 3.37Å; D331-R437 IonicContact OD2-NE 3.49Å; D331-R437 PolarHBondContact OD2-NE 3.22Å; D331-R437 IonicContact OD2-NH2 3.93Å |
| 438 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 123.4 | 177.2 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | L300 C304 V306 W310 P328 L329 I330 D331 L391 | L300-V438 HydrophobicContact CD2-CG1 4.19Å; L300-V438 HydrophobicContact CD2-CG2 4.39Å; C304-V438 HydrophobicContact CB-CG1 3.79Å; V306-V438 HydrophobicContact CB-CG2 4.43Å; V306-V438 HydrophobicContact CG1-CG1 4.22Å; V306-V438 HydrophobicContact CG1-CG2 4.06Å; W310-V438 HydrophobicContact CE3-CG2 4Å; W310-V438 HydrophobicContact CZ3-CG2 4.44Å; P328-V438 HydrophobicContact CB-CB 4.46Å; P328-V438 HydrophobicContact CB-CG2 3.84Å; P328-V438 HydrophobicContact CG-CB 4.25Å; P328-V438 HydrophobicContact CG-CG2 3.74Å; L329-V438 PolarHBondContact O-N 2.98Å; I330-V438 WeakPolarHBondContact CA-O 3.25Å; D331-V438 PolarHBondContact N-O 3.44Å; L391-V438 HydrophobicContact CD1-CB 4Å; L391-V438 HydrophobicContact CD1-CG1 3.85Å |
| 439 | G | 98.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 138.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | C304 E305 D331 I333 | C304-G439 CarbonylContact C-O 3.5Å; C304-G439 WeakPolarHBondContact CA-O 3.3Å; C304-G439 WeakPolarHBondContact CB-O 3.3Å; E305-G439 PolarHBondContact N-O 3.06Å; E305-G439 PolarHBondContact O-N 3.2Å; D331-G439 CarbonylContact O-C 3.53Å; D331-G439 WeakPolarHBondContact O-CA 3.32Å; I333-G439 VanDerWaalsContact CD1-C 3.43Å; I333-G439 WeakPolarHBondContact CD1-O 3.43Å |
| 440 | H | 98.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 13% | 0.13 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.9 | 176.2 | 172.9 | -79.3 | 0 | 0 | 0 | 110 | D301 H303 I330 D331 I333 Y442 | D301-H440 IonicContact OD2-CD2 2.69Å; D301-H440 IonicContact OD2-NE2 2.87Å; D301-H440 PolarHBondContact OD2-NE2 2.78Å; H303-H440 AromaticContact CD2-CD2 3.95Å; H303-H440 AromaticContact CD2-CE1 3.86Å; H303-H440 AromaticContact CD2-NE2 3.5Å; H303-H440 PolarHBondContact CD2-NE2 2.78Å; H303-H440 AromaticContact NE2-CE1 3.73Å; H303-H440 AromaticContact NE2-NE2 3.27Å; H303-H440 PolarHBondContact NE2-NE2 2.94Å; I330-H440 HydrophobicContact CG2-CB 3.66Å; D331-H440 PolarHBondContact O-N 2.83Å; I333-H440 PolarHBondContact N-O 3.21Å; H440-Y442 AromaticContact ND1-CD2 3.95Å; H440-Y442 AromaticContact ND1-CE2 3.93Å; H440-Y442 PolarHBondContact O-N 3.39Å |
| 441 | I | 98.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 122.4 | 179 | -52.6 | 177.9 | 0 | 0 | 0 | 110.5 | F175 T222 H303 I333 Y338 | F175-I441 HydrophobicContact CD1-CB 4.33Å; F175-I441 HydrophobicContact CD1-CG2 3.36Å; F175-I441 HydrophobicContact CE1-CB 3.99Å; F175-I441 HydrophobicContact CE1-CG2 3.45Å; F175-I441 VanDerWaalsContact CE1-CG2 3.45Å; F175-I441 HydrophobicContact CG-CG2 4.05Å; F175-I441 HydrophobicContact CZ-CB 4.35Å; F175-I441 HydrophobicContact CZ-CG2 4.22Å; T222-I441 HydrophobicContact CG2-CD1 3.58Å; H303-I441 HydrophobicContact CB-CB 4.15Å; H303-I441 HydrophobicContact CB-CD1 3.94Å; H303-I441 HydrophobicContact CB-CG1 4.16Å; H303-I441 WeakPolarHBondContact O-CG1 3.49Å; H303-I441 PolarHBondContact O-N 3.13Å; I333-I441 HydrophobicContact CB-CB 4.42Å; I333-I441 HydrophobicContact CB-CG1 3.83Å; I333-I441 HydrophobicContact CD1-CG1 3.99Å; I333-I441 HydrophobicContact CG1-CG1 4.46Å; I333-I441 HydrophobicContact CG2-CG1 3.9Å; I333-I441 WeakPolarHBondContact O-CA 3.32Å; Y338-I441 HydrophobicContact CD1-CD1 4.38Å; Y338-I441 HydrophobicContact CE1-CD1 3.73Å |
| 442 | Y | 90 | Very high | 92.1 | Very high | 95 Ų | 95 | 49.3 Ų | 49.3 | 37% | 0.373 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 135.2 | 172.4 | -85.1 | -94.7 | 0 | 0 | 0 | 111.6 | V332 I333 Q343 H440 | V332-Y442 HydrophobicContact CB-CD2 4.23Å; V332-Y442 HydrophobicContact CB-CE2 4.41Å; V332-Y442 HydrophobicContact CG1-CD2 3.77Å; V332-Y442 HydrophobicContact CG1-CE2 4.4Å; V332-Y442 HydrophobicContact CG1-CG 4.48Å; V332-Y442 HydrophobicContact CG2-CD2 4.05Å; V332-Y442 HydrophobicContact CG2-CE2 3.81Å; I333-Y442 PolarHBondContact O-N 2.87Å; Q343-Y442 PolarHBondContact NE2-OH 3.33Å; H440-Y442 AromaticContact ND1-CD2 3.95Å; H440-Y442 AromaticContact ND1-CE2 3.93Å; H440-Y442 PolarHBondContact O-N 3.39Å |
| 443 | R | 92 | Very high | 91.1 | Very high | 102 Ų | 102 | 49.1 Ų | 49.1 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -69 | 140.2 | 178 | -75.6 | -170.3 | 169.7 | 132.6 | 0.9 | 111.4 | G174 F175 W447 | G174-R443 WeakPolarHBondContact O-CA 3.37Å; F175-R443 HydrophobicContact CD1-CG 4.17Å; F175-R443 HydrophobicContact CE1-CB 4.17Å; F175-R443 HydrophobicContact CE1-CG 3.35Å; F175-R443 HydrophobicContact CZ-CG 3.67Å; R443-W447 VanDerWaalsContact CD-CZ3 3.46Å |
| 444 | L | 94.1 | Very high | 90.1 | Very high | 47 Ų | 47 | 57.4 Ų | 57.4 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 156.2 | 177 | -60.3 | 172.6 | 0 | 0 | 0 | 111.1 | I170 G174 N336 | I170-L444 HydrophobicContact CD1-CD1 3.57Å; I170-L444 HydrophobicContact CG1-CD1 3.84Å; I170-L444 HydrophobicContact CG2-CB 3.97Å; G174-L444 PolarHBondContact O-N 3.21Å; N336-L444 HydrophobicContact CB-CD1 3.91Å; N336-L444 HydrophobicContact CB-CD2 4.3Å |
| 445 | E | 90.9 | Very high | 89 | Confident | 194 Ų | 194 | 64 Ų | 64 | 91% | 0.907 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 145.3 | 170.4 | -169.5 | -178.2 | 172.6 | 0 | 0 | 111 | I170 | I170-E445 WeakPolarHBondContact CG2-O 3.22Š|
| 446 | G | 87.5 | Confident | 88 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -5.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 447 | W | 92.9 | Very high | 86.6 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | trans | -63.2 | 132 | 167.8 | -177.2 | 44.5 | 0 | 0 | 0 | 111.1 | E172 G174 R443 G449 | E172-W447 PolarHBondContact O-NE1 3.11Å; G174-W447 VanDerWaalsContact N-CD1 3.27Å; R443-W447 VanDerWaalsContact CD-CZ3 3.46Å; W447-G449 VanDerWaalsContact C-N 3.26Å; W447-G449 VanDerWaalsContact CE2-CA 3.42Å; W447-G449 PolarHBondContact O-N 3.49Å | ||
| 448 | Q | 85 | Confident | 85.3 | Confident | 143 Ų | 143 | 69.1 Ų | 69.1 | 67% | 0.668 | 37% | 0.372 | S | S | * | . | trans | -79.3 | -5.9 | -178.9 | -64 | -165.6 | -61.8 | 0 | 0 | 114.5 | K171 | K171-Q448 HydrophobicContact CG-CG 3.77Å; K171-Q448 PolarHBondContact O-N 2.86Å | ||
| 449 | G | 83.6 | Confident | 84.3 | Confident | 26 Ų | 26 | 72.9 Ų | 72.9 | 27% | 0.268 | 40% | 0.398 | S | S | . | . | trans | 76.9 | 165.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | W447 | W447-G449 VanDerWaalsContact C-N 3.26Å; W447-G449 VanDerWaalsContact CE2-CA 3.42Å; W447-G449 PolarHBondContact O-N 3.49Å | ||
| 450 | N | 78.1 | Confident | 83.8 | Confident | 45 Ų | 45 | 73.5 Ų | 73.5 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | trans | -94.6 | 114.9 | 163.5 | -68.9 | -52 | 0 | 0 | 0 | 107.7 | ||||
| 451 | P | 74.9 | Confident | 83.5 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 66% | 0.656 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 138.4 | -178.5 | 25.9 | -34.1 | 0 | 0 | 0 | 109.3 | R277 | R277-P451 PolarHBondContact NH1-O 3.38Š|
| 452 | P | 76.8 | Confident | 83.2 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 53% | 0.526 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 154 | 178.2 | 26.4 | -34 | 0 | 0 | 0 | 110.9 | ||
| 453 | P | 79.9 | Confident | 83.4 | Confident | 16 Ų | 16 | 71.9 Ų | 71.9 | 10% | 0.104 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 146 | 175.6 | -15.5 | 29.5 | 0 | 0 | 0 | 111.1 | R277 I411 Y455 V456 | R277-P453 HydrophobicContact CB-CG 4.12Å; R277-P453 HydrophobicContact CG-CG 4.04Å; R277-P453 VanDerWaalsContact NH1-CD 3.34Å; I411-P453 HydrophobicContact CD1-CG 3.81Å; P453-Y455 HydrophobicContact CB-CD1 3.81Å; P453-Y455 HydrophobicContact CB-CD2 4.24Å; P453-Y455 HydrophobicContact CB-CE1 3.29Å; P453-Y455 HydrophobicContact CB-CE2 3.77Å; P453-Y455 HydrophobicContact CB-CG 4.26Å; P453-Y455 HydrophobicContact CG-CE1 4.26Å; P453-Y455 HydrophobicContact CG-CE2 4.15Å; P453-Y455 PolarHBondContact O-N 3.05Å; P453-Y455 VanDerWaalsContact O-N 3.11Å; P453-V456 HydrophobicContact CB-CG2 4.14Å; P453-V456 HydrophobicContact CG-CG2 4.02Å; P453-V456 WeakPolarHBondContact O-CB 3.43Å; P453-V456 PolarHBondContact O-N 2.96Å |
| 454 | I | 76.5 | Confident | 83.6 | Confident | 175 Ų | 175 | 67.1 Ų | 67.1 | 90% | 0.897 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.1 | -174.7 | -60.9 | 171.3 | 0 | 0 | 0 | 112.5 | V456 | I454-V456 VanDerWaalsContact C-N 3.28Å; I454-V456 PolarHBondContact O-N 3.27Å |
| 455 | Y | 76.4 | Confident | 83.8 | Confident | 141 Ų | 141 | 65.5 Ų | 65.5 | 55% | 0.553 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.4 | 179.2 | 54.3 | -97.6 | 0 | 0 | 0 | 114.3 | R277 P453 | R277-Y455 PolarHBondContact O-OH 3.46Å; P453-Y455 HydrophobicContact CB-CD1 3.81Å; P453-Y455 HydrophobicContact CB-CD2 4.24Å; P453-Y455 HydrophobicContact CB-CE1 3.29Å; P453-Y455 HydrophobicContact CB-CE2 3.77Å; P453-Y455 HydrophobicContact CB-CG 4.26Å; P453-Y455 HydrophobicContact CG-CE1 4.26Å; P453-Y455 HydrophobicContact CG-CE2 4.15Å; P453-Y455 PolarHBondContact O-N 3.05Å; P453-Y455 VanDerWaalsContact O-N 3.11Å |
| 456 | V | 76.9 | Confident | 84.1 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -91.6 | 124.6 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | I411 P453 I454 P460 | I411-V456 HydrophobicContact CD1-CG2 4.24Å; I411-V456 HydrophobicContact CG1-CG1 4.28Å; I411-V456 HydrophobicContact CG1-CG2 4.09Å; P453-V456 HydrophobicContact CB-CG2 4.14Å; P453-V456 HydrophobicContact CG-CG2 4.02Å; P453-V456 WeakPolarHBondContact O-CB 3.43Å; P453-V456 PolarHBondContact O-N 2.96Å; I454-V456 VanDerWaalsContact C-N 3.28Å; I454-V456 PolarHBondContact O-N 3.27Å; V456-P460 HydrophobicContact CG1-CB 3.54Å; V456-P460 HydrophobicContact CG1-CG 3.64Å |
| 457 | G | 70.6 | Confident | 84.6 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | trans | -63.7 | 178.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S459 | G457-S459 PolarHBondContact O-N 2.89Š| ||
| 458 | S | 70.1 | Confident | 84.9 | Confident | 74 Ų | 74 | 51.1 Ų | 51.1 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -57.7 | 137.2 | 173.6 | 50.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 459 | S | 77.8 | Confident | 85.6 | Confident | 79 Ų | 79 | 44.3 Ų | 44.3 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | trans | 50.1 | 58.3 | 172.1 | -58.4 | 0 | 0 | 0 | 0 | 115.6 | G457 T461 L462 K463 | G457-S459 PolarHBondContact O-N 2.89Å; S459-T461 PolarHBondContact O-N 2.98Å; S459-T461 VanDerWaalsContact O-N 3.16Å; S459-L462 WeakPolarHBondContact O-CB 3.36Å; S459-L462 PolarHBondContact O-N 3.11Å; S459-K463 PolarHBondContact O-N 2.68Å | ||
| 460 | P | 89.1 | Confident | 86.3 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55 | -37 | 178.9 | 23.2 | -34 | 0 | 0 | 0 | 112.5 | Q410 V456 L462 K463 N464 | Q410-P460 HydrophobicContact CB-CB 3.91Å; V456-P460 HydrophobicContact CG1-CB 3.54Å; V456-P460 HydrophobicContact CG1-CG 3.64Å; P460-L462 VanDerWaalsContact C-N 3.3Å; P460-L462 PolarHBondContact O-N 2.97Å; P460-K463 WeakPolarHBondContact O-CB 3.42Å; P460-K463 PolarHBondContact O-N 2.91Å; P460-K463 VanDerWaalsContact O-N 3.15Å; P460-N464 VanDerWaalsContact O-CG 3.24Å; P460-N464 PolarHBondContact O-N 2.94Å; P460-N464 PolarHBondContact O-OD1 3.05Å |
| 461 | T | 91.8 | Very high | 87.3 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.3 | -37.3 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 113.1 | W412 S459 N464 Y465 | W412-T461 HydrophobicContact CE3-CG2 4.19Å; W412-T461 HydrophobicContact CZ3-CG2 4.22Å; W412-T461 WeakPolarHBondContact O-CB 3.35Å; W412-T461 PolarHBondContact O-OG1 3.09Å; S459-T461 PolarHBondContact O-N 2.98Å; S459-T461 VanDerWaalsContact O-N 3.16Å; T461-N464 WeakPolarHBondContact O-CB 3.21Å; T461-N464 PolarHBondContact O-N 3.37Å; T461-Y465 HydrophobicContact CG2-CD1 4.46Å; T461-Y465 HydrophobicContact CG2-CE1 3.76Å; T461-Y465 HydrophobicContact CG2-CE2 3.82Å; T461-Y465 WeakPolarHBondContact CG2-OH 3.36Å; T461-Y465 WeakPolarHBondContact O-CD1 3.47Å; T461-Y465 VanDerWaalsContact O-CG 3.29Å; T461-Y465 PolarHBondContact O-N 2.92Å |
| 462 | L | 92 | Very high | 88.4 | Confident | 17 Ų | 17 | 37.6 Ų | 37.6 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68 | -41.8 | 177.2 | -173.3 | 64.9 | 0 | 0 | 0 | 110.6 | S459 P460 N464 Y465 V466 E486 L490 | S459-L462 WeakPolarHBondContact O-CB 3.36Å; S459-L462 PolarHBondContact O-N 3.11Å; P460-L462 VanDerWaalsContact C-N 3.3Å; P460-L462 PolarHBondContact O-N 2.97Å; L462-N464 VanDerWaalsContact C-N 3.31Å; L462-N464 PolarHBondContact O-N 2.85Å; L462-Y465 HydrophobicContact CD1-CD2 4.41Å; L462-Y465 WeakPolarHBondContact O-CB 3.28Å; L462-Y465 PolarHBondContact O-N 3.04Å; L462-V466 WeakPolarHBondContact O-CG2 3.34Å; L462-V466 PolarHBondContact O-N 3.09Å; L462-V466 VanDerWaalsContact O-N 3.13Å; L462-E486 HydrophobicContact CD2-CG 4.28Å; L462-L490 HydrophobicContact CB-CD2 4.28Å; L462-L490 HydrophobicContact CD2-CD2 4.05Å; L462-L490 HydrophobicContact CG-CD2 3.86Å |
| 463 | K | 94.3 | Very high | 89.5 | Confident | 42 Ų | 42 | 33.8 Ų | 33.8 | 18% | 0.183 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 173.9 | -67.1 | -177.5 | 179.8 | -174.9 | 0 | 111.2 | S459 P460 Y465 V466 R467 L490 | S459-K463 PolarHBondContact O-N 2.68Å; P460-K463 WeakPolarHBondContact O-CB 3.42Å; P460-K463 PolarHBondContact O-N 2.91Å; P460-K463 VanDerWaalsContact O-N 3.15Å; K463-Y465 VanDerWaalsContact C-N 3.33Å; K463-Y465 PolarHBondContact O-N 2.95Å; K463-V466 PolarHBondContact O-N 2.87Å; K463-R467 WeakPolarHBondContact O-CG 3.17Å; K463-R467 PolarHBondContact O-N 3.49Å; K463-L490 HydrophobicContact CB-CD2 4.26Å; K463-L490 HydrophobicContact CG-CD1 4.46Å; K463-L490 HydrophobicContact CG-CD2 3.53Å; K463-L490 HydrophobicContact CG-CG 3.93Å |
| 464 | N | 97.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.5 | -46.7 | 175.5 | -66.1 | -4.4 | 0 | 0 | 0 | 111.6 | L409 Q410 W412 G413 P460 T461 L462 V466 R467 V468 | L409-N464 WeakPolarHBondContact CA-OD1 3.39Å; L409-N464 HydrophobicContact CD2-CB 3.69Å; Q410-N464 PolarHBondContact N-ND2 3.46Å; Q410-N464 PolarHBondContact N-OD1 2.79Å; Q410-N464 PolarHBondContact O-ND2 2.88Å; W412-N464 PolarHBondContact O-ND2 2.88Å; G413-N464 WeakPolarHBondContact O-CB 3.49Å; G413-N464 PolarHBondContact O-ND2 3.48Å; P460-N464 VanDerWaalsContact O-CG 3.24Å; P460-N464 PolarHBondContact O-N 2.94Å; P460-N464 PolarHBondContact O-OD1 3.05Å; T461-N464 WeakPolarHBondContact O-CB 3.21Å; T461-N464 PolarHBondContact O-N 3.37Å; L462-N464 VanDerWaalsContact C-N 3.31Å; L462-N464 PolarHBondContact O-N 2.85Å; N464-V466 VanDerWaalsContact C-N 3.34Å; N464-V466 PolarHBondContact O-N 2.82Å; N464-R467 WeakPolarHBondContact O-CB 3.4Å; N464-R467 PolarHBondContact O-N 2.87Å; N464-V468 WeakPolarHBondContact O-CG2 3.46Å; N464-V468 PolarHBondContact O-N 3.11Å; N464-V468 VanDerWaalsContact O-N 3.08Å |
| 465 | Y | 97.9 | Very high | 91.4 | Very high | 14 Ų | 14 | 32 Ų | 32 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58 | -45.8 | 177.5 | -62.9 | -19.6 | 0 | 0 | 0 | 112.1 | M360 T461 L462 K463 R467 V468 V469 | M360-Y465 HydrophobicContact CB-CD1 4.42Å; M360-Y465 HydrophobicContact CB-CD2 4.34Å; M360-Y465 HydrophobicContact CB-CG 4.21Å; M360-Y465 HydrophobicContact CG-CD1 4.2Å; M360-Y465 HydrophobicContact CG-CG 4.39Å; M360-Y465 VanDerWaalsContact SD-CB 3.56Å; M360-Y465 HydrophobicContact SD-CD1 3.54Å; M360-Y465 VanDerWaalsContact SD-CD1 3.54Å; M360-Y465 HydrophobicContact SD-CE1 4.41Å; M360-Y465 HydrophobicContact SD-CG 3.71Å; T461-Y465 HydrophobicContact CG2-CD1 4.46Å; T461-Y465 HydrophobicContact CG2-CE1 3.76Å; T461-Y465 HydrophobicContact CG2-CE2 3.82Å; T461-Y465 WeakPolarHBondContact CG2-OH 3.36Å; T461-Y465 WeakPolarHBondContact O-CD1 3.47Å; T461-Y465 VanDerWaalsContact O-CG 3.29Å; T461-Y465 PolarHBondContact O-N 2.92Å; L462-Y465 HydrophobicContact CD1-CD2 4.41Å; L462-Y465 WeakPolarHBondContact O-CB 3.28Å; L462-Y465 PolarHBondContact O-N 3.04Å; K463-Y465 VanDerWaalsContact C-N 3.33Å; K463-Y465 PolarHBondContact O-N 2.95Å; Y465-R467 VanDerWaalsContact C-N 3.34Å; Y465-R467 PolarHBondContact O-N 2.77Å; Y465-V468 PolarHBondContact O-N 2.7Å; Y465-V469 WeakPolarHBondContact O-CB 3.41Å; Y465-V469 VanDerWaalsContact O-CG2 3.26Å; Y465-V469 WeakPolarHBondContact O-CG2 3.11Å; Y465-V469 PolarHBondContact O-N 3.12Å |
| 466 | V | 98 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 177.9 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | L462 K463 N464 V468 V469 E470 F480 Y481 L490 Y492 | L462-V466 WeakPolarHBondContact O-CG2 3.34Å; L462-V466 PolarHBondContact O-N 3.09Å; L462-V466 VanDerWaalsContact O-N 3.13Å; K463-V466 PolarHBondContact O-N 2.87Å; N464-V466 VanDerWaalsContact C-N 3.34Å; N464-V466 PolarHBondContact O-N 2.82Å; V466-V468 VanDerWaalsContact C-N 3.33Å; V466-V468 PolarHBondContact O-N 2.97Å; V466-V469 PolarHBondContact O-N 2.99Å; V466-E470 HydrophobicContact CG1-CG 4.03Å; V466-E470 WeakPolarHBondContact O-CB 3.41Å; V466-E470 WeakPolarHBondContact O-CG 3.34Å; V466-E470 PolarHBondContact O-N 3.18Å; V466-F480 HydrophobicContact CG2-CE1 4.07Å; V466-F480 HydrophobicContact CG2-CZ 4.39Å; V466-Y481 HydrophobicContact CG1-CE1 4.46Å; V466-Y481 WeakPolarHBondContact CG1-OH 3.34Å; V466-L490 HydrophobicContact CG2-CD2 4.1Å; V466-Y492 HydrophobicContact CB-CD1 4.22Å; V466-Y492 HydrophobicContact CB-CG 4.37Å; V466-Y492 HydrophobicContact CG1-CD1 3.29Å; V466-Y492 HydrophobicContact CG1-CE1 3.87Å; V466-Y492 HydrophobicContact CG1-CG 3.8Å |
| 467 | R | 98.3 | Very high | 93.4 | Very high | 14 Ų | 14 | 29 Ų | 29 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57 | -47.3 | 176.5 | -67.4 | 178.7 | 64.6 | 75.5 | 0.6 | 111.7 | D406 L409 K463 N464 Y465 V471 Y492 D494 I495 | D406-R467 IonicContact OD1-CZ 3.64Å; D406-R467 IonicContact OD1-NE 2.81Å; D406-R467 IonicContact OD1-NH2 3.69Å; D406-R467 PolarHBondContact OD1-NH2 3.24Å; D406-R467 IonicContact OD2-CZ 2.86Å; D406-R467 IonicContact OD2-NE 3.11Å; D406-R467 PolarHBondContact OD2-NE 2.72Å; D406-R467 IonicContact OD2-NH2 3.33Å; D406-R467 PolarHBondContact OD2-NH2 2.86Å; D406-R467 VanDerWaalsContact OD2-NH2 3.11Å; L409-R467 HydrophobicContact CD2-CB 4.37Å; K463-R467 WeakPolarHBondContact O-CG 3.17Å; K463-R467 PolarHBondContact O-N 3.49Å; N464-R467 WeakPolarHBondContact O-CB 3.4Å; N464-R467 PolarHBondContact O-N 2.87Å; Y465-R467 VanDerWaalsContact C-N 3.34Å; Y465-R467 PolarHBondContact O-N 2.77Å; R467-V471 VanDerWaalsContact O-CG2 3.3Å; R467-V471 WeakPolarHBondContact O-CG2 3.06Å; R467-V471 PolarHBondContact O-N 2.83Å; R467-Y492 WeakPolarHBondContact CD-O 3.31Å; R467-Y492 VanDerWaalsContact CG-O 3.22Å; R467-Y492 WeakPolarHBondContact CG-O 3.41Å; R467-Y492 PolarHBondContact NH1-O 3.37Å; R467-D494 PolarHBondContact NH1-O 3.01Å; R467-D494 PolarHBondContact NH2-O 3.37Å; R467-I495 HydrophobicContact CB-CG2 4.38Å; R467-I495 HydrophobicContact CG-CG2 4.28Å |
| 468 | V | 98.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | -179.6 | -179 | 0 | 0 | 0 | 0 | 111 | M360 L409 E418 Y421 N464 Y465 V466 V471 W472 | M360-V468 HydrophobicContact CE-CB 3.54Å; M360-V468 HydrophobicContact CE-CG1 3.33Å; M360-V468 HydrophobicContact CE-CG2 4.14Å; M360-V468 HydrophobicContact SD-CB 4.47Å; L409-V468 HydrophobicContact CD2-CG2 4.19Å; E418-V468 HydrophobicContact CB-CG1 4.18Å; E418-V468 HydrophobicContact CB-CG2 3.7Å; E418-V468 HydrophobicContact CG-CG2 3.96Å; Y421-V468 HydrophobicContact CD2-CG1 3.7Å; Y421-V468 HydrophobicContact CE2-CG1 3.73Å; N464-V468 WeakPolarHBondContact O-CG2 3.46Å; N464-V468 PolarHBondContact O-N 3.11Å; N464-V468 VanDerWaalsContact O-N 3.08Å; Y465-V468 PolarHBondContact O-N 2.7Å; V466-V468 VanDerWaalsContact C-N 3.33Å; V466-V468 PolarHBondContact O-N 2.97Å; V468-V471 PolarHBondContact O-N 3.01Å; V468-W472 WeakPolarHBondContact O-CB 3.41Å; V468-W472 PolarHBondContact O-N 3.11Å |
| 469 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 180 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | M360 Y465 V466 V471 W472 W473 K477 F480 | M360-V469 HydrophobicContact SD-CG2 4.06Å; Y465-V469 WeakPolarHBondContact O-CB 3.41Å; Y465-V469 VanDerWaalsContact O-CG2 3.26Å; Y465-V469 WeakPolarHBondContact O-CG2 3.11Å; Y465-V469 PolarHBondContact O-N 3.12Å; V466-V469 PolarHBondContact O-N 2.99Å; V469-V471 PolarHBondContact O-N 2.92Å; V469-W472 PolarHBondContact O-N 2.92Å; V469-W473 HydrophobicContact CB-CD2 4.48Å; V469-W473 HydrophobicContact CB-CG 4.44Å; V469-W473 HydrophobicContact CG1-CB 4.15Å; V469-W473 HydrophobicContact CG1-CD2 4.39Å; V469-W473 HydrophobicContact CG1-CE3 4.27Å; V469-W473 HydrophobicContact CG1-CG 4.36Å; V469-W473 HydrophobicContact CG2-CD2 3.87Å; V469-W473 HydrophobicContact CG2-CE3 3.99Å; V469-W473 HydrophobicContact CG2-CG 4.27Å; V469-W473 HydrophobicContact CG2-CZ3 4.36Å; V469-W473 WeakPolarHBondContact O-CB 3.14Å; V469-W473 PolarHBondContact O-N 2.78Å; V469-K477 HydrophobicContact CG1-CB 3.31Å; V469-F480 HydrophobicContact CB-CD1 4.37Å; V469-F480 HydrophobicContact CB-CG 4.49Å; V469-F480 HydrophobicContact CG1-CB 4.07Å; V469-F480 HydrophobicContact CG1-CD1 4.03Å; V469-F480 HydrophobicContact CG1-CG 4.16Å; V469-F480 HydrophobicContact CG2-CB 4.2Å; V469-F480 HydrophobicContact CG2-CD1 4.09Å; V469-F480 HydrophobicContact CG2-CD2 3.94Å; V469-F480 HydrophobicContact CG2-CE1 4.47Å; V469-F480 HydrophobicContact CG2-CE2 4.33Å; V469-F480 HydrophobicContact CG2-CG 3.8Å |
| 470 | E | 98.6 | Very high | 97 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 12% | 0.121 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.4 | -22.2 | -178.7 | -78 | -64.1 | 160.6 | 0 | 0 | 114.3 | V466 K477 Y481 Y492 I495 K499 | V466-E470 HydrophobicContact CG1-CG 4.03Å; V466-E470 WeakPolarHBondContact O-CB 3.41Å; V466-E470 WeakPolarHBondContact O-CG 3.34Å; V466-E470 PolarHBondContact O-N 3.18Å; E470-K477 IonicContact OE1-NZ 2.62Å; E470-K477 IonicContact OE2-NZ 3.32Å; E470-K477 PolarHBondContact OE2-NZ 3.44Å; E470-Y481 WeakPolarHBondContact OE1-CE2 3.4Å; E470-Y481 PolarHBondContact OE1-OH 3.37Å; E470-Y492 HydrophobicContact CG-CE1 4.12Å; E470-Y492 HydrophobicContact CG-CE2 4.42Å; E470-I495 HydrophobicContact CB-CD1 3.63Å; E470-K499 WeakPolarHBondContact O-CE 3.38Å |
| 471 | V | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -91.7 | -41 | 176.4 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | R467 V468 V469 I495 L498 K499 R502 | R467-V471 VanDerWaalsContact O-CG2 3.3Å; R467-V471 WeakPolarHBondContact O-CG2 3.06Å; R467-V471 PolarHBondContact O-N 2.83Å; V468-V471 PolarHBondContact O-N 3.01Å; V469-V471 PolarHBondContact O-N 2.92Å; V471-I495 HydrophobicContact CG2-CB 3.88Å; V471-I495 HydrophobicContact CG2-CD1 4.05Å; V471-I495 HydrophobicContact CG2-CG1 4.47Å; V471-I495 HydrophobicContact CG2-CG2 4.23Å; V471-L498 HydrophobicContact CG1-CB 4Å; V471-L498 HydrophobicContact CG2-CB 3.84Å; V471-L498 HydrophobicContact CG2-CD1 4.2Å; V471-K499 HydrophobicContact CG2-CG 4.32Å; V471-R502 WeakPolarHBondContact O-CD 3.47Å; V471-R502 PolarHBondContact O-NH1 3.16Å |
| 472 | W | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -114.3 | -16.5 | -162 | -65.3 | 103.8 | 0 | 0 | 0 | 116 | Y421 K422 Q425 V468 V469 F501 R502 C507 F510 | Y421-W472 HydrophobicContact CD2-CB 3.92Å; Y421-W472 HydrophobicContact CD2-CG 4.29Å; Y421-W472 HydrophobicContact CG-CB 4.32Å; K422-W472 HydrophobicContact CB-CH2 4.26Å; K422-W472 HydrophobicContact CB-CZ2 4.26Å; K422-W472 HydrophobicContact CD-CZ2 4.16Å; K422-W472 HydrophobicContact CG-CH2 3.52Å; K422-W472 HydrophobicContact CG-CZ2 3.15Å; K422-W472 HydrophobicContact CG-CZ3 4.46Å; Q425-W472 HydrophobicContact CB-CE3 4.48Å; Q425-W472 HydrophobicContact CB-CZ3 4.23Å; Q425-W472 PolarHBondContact NE2-O 2.94Å; V468-W472 WeakPolarHBondContact O-CB 3.41Å; V468-W472 PolarHBondContact O-N 3.11Å; V469-W472 PolarHBondContact O-N 2.92Å; W472-F501 HydrophobicContact CH2-CD1 4.24Å; W472-F501 HydrophobicContact CH2-CE1 4.15Å; W472-F501 HydrophobicContact CZ2-CD1 4.45Å; W472-R502 HydrophobicContact CE3-CG 4.36Å; W472-R502 HydrophobicContact CH2-CB 4.24Å; W472-R502 HydrophobicContact CH2-CG 4.13Å; W472-R502 HydrophobicContact CZ3-CB 4.39Å; W472-R502 HydrophobicContact CZ3-CG 3.79Å; W472-C507 HydrophobicContact CZ3-CB 4.48Å; W472-F510 VanDerWaalsContact O-CB 3.32Å; W472-F510 WeakPolarHBondContact O-CB 3.49Å; W472-F510 WeakPolarHBondContact O-CD2 3.42Å; W472-F510 WeakPolarHBondContact O-CG 3.26Å |
| 473 | W | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -97.4 | -6.1 | -170.8 | -77.9 | 25.2 | 0 | 0 | 0 | 115 | W356 W358 M360 Y421 V469 E475 Y476 F480 F510 | W356-W473 AromaticContact CD1-CH2 3.62Å; W356-W473 AromaticContact CD1-CZ2 3.62Å; W356-W473 HydrophobicContact CG-CZ2 4.48Å; W356-W473 AromaticContact NE1-CH2 3.59Å; W356-W473 AromaticContact NE1-CZ2 3.38Å; W358-W473 HydrophobicContact CE3-CH2 4.26Å; W358-W473 AromaticContact CE3-CZ3 3.8Å; W358-W473 HydrophobicContact CE3-CZ3 3.8Å; W358-W473 HydrophobicContact CZ3-CZ3 4.15Å; M360-W473 HydrophobicContact CG-CZ2 4.27Å; Y421-W473 AromaticContact CD2-NE1 3.92Å; Y421-W473 AromaticContact CE2-CD1 3.89Å; Y421-W473 AromaticContact CE2-NE1 3.11Å; Y421-W473 AromaticContact CZ-NE1 3.34Å; Y421-W473 VanDerWaalsContact CZ-NE1 3.34Å; Y421-W473 PolarHBondContact OH-NE1 3.35Å; V469-W473 HydrophobicContact CB-CD2 4.48Å; V469-W473 HydrophobicContact CB-CG 4.44Å; V469-W473 HydrophobicContact CG1-CB 4.15Å; V469-W473 HydrophobicContact CG1-CD2 4.39Å; V469-W473 HydrophobicContact CG1-CE3 4.27Å; V469-W473 HydrophobicContact CG1-CG 4.36Å; V469-W473 HydrophobicContact CG2-CD2 3.87Å; V469-W473 HydrophobicContact CG2-CE3 3.99Å; V469-W473 HydrophobicContact CG2-CG 4.27Å; V469-W473 HydrophobicContact CG2-CZ3 4.36Å; V469-W473 WeakPolarHBondContact O-CB 3.14Å; V469-W473 PolarHBondContact O-N 2.78Å; W473-E475 PolarHBondContact O-N 2.83Å; W473-Y476 WeakPolarHBondContact O-CA 3.5Å; W473-Y476 VanDerWaalsContact O-CB 3.29Å; W473-Y476 WeakPolarHBondContact O-CB 3.22Å; W473-Y476 PolarHBondContact O-N 3.08Å; W473-F480 HydrophobicContact CE3-CB 4.11Å; W473-F480 HydrophobicContact CZ3-CB 3.82Å; W473-F510 HydrophobicContact CB-CD1 4.39Å; W473-F510 HydrophobicContact CB-CE1 4.48Å; W473-F510 HydrophobicContact CB-CG 4.47Å; W473-F510 AromaticContact CD1-CD2 3.87Å; W473-F510 AromaticContact CD1-CE2 3.4Å; W473-F510 VanDerWaalsContact CD1-CE2 3.4Å; W473-F510 AromaticContact CD1-CZ 3.58Å; W473-F510 HydrophobicContact CD2-CE1 4.2Å; W473-F510 AromaticContact CD2-CZ 3.99Å; W473-F510 HydrophobicContact CD2-CZ 3.99Å; W473-F510 AromaticContact CE2-CZ 3.8Å; W473-F510 HydrophobicContact CG-CD1 4.41Å; W473-F510 HydrophobicContact CG-CD2 4.4Å; W473-F510 HydrophobicContact CG-CE1 4.07Å; W473-F510 HydrophobicContact CG-CE2 4.07Å; W473-F510 AromaticContact CG-CZ 3.88Å; W473-F510 HydrophobicContact CG-CZ 3.88Å; W473-F510 AromaticContact NE1-CE2 3.55Å; W473-F510 AromaticContact NE1-CZ 3.51Å | ||
| 474 | D | 98.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 26.5 Ų | 26.5 | 26% | 0.262 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | 48.8 | -129.4 | -178.7 | -56.7 | -35.4 | 0 | 0 | 0 | 111.7 | Y476 K477 R502 F510 | D474-Y476 PolarHBondContact O-N 3.18Å; D474-K477 WeakPolarHBondContact O-CD 3.4Å; D474-K477 WeakPolarHBondContact O-CG 3.35Å; D474-K477 PolarHBondContact O-N 3.2Å; D474-R502 VanDerWaalsContact CG-NH2 3.31Å; D474-R502 IonicContact OD1-CZ 2.75Å; D474-R502 VanDerWaalsContact OD1-CZ 3.3Å; D474-R502 IonicContact OD1-NH1 2.59Å; D474-R502 PolarHBondContact OD1-NH1 2.79Å; D474-R502 IonicContact OD1-NH2 3.61Å; D474-R502 PolarHBondContact OD1-NH2 3.05Å; D474-R502 VanDerWaalsContact OD1-NH2 3.11Å; D474-R502 IonicContact OD2-CZ 3.75Å; D474-R502 IonicContact OD2-NH1 3.3Å; D474-R502 IonicContact OD2-NH2 3.33Å; D474-R502 PolarHBondContact OD2-NH2 3.05Å; D474-F510 HydrophobicContact CB-CB 4.35Å; D474-F510 PolarHBondContact OD2-N 3.2Å |
| 475 | E | 98.2 | Very high | 97.5 | Very high | 105 Ų | 105 | 26.6 Ų | 26.6 | 49% | 0.491 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -63.9 | -18.3 | 176.2 | 63.3 | -91 | -155.2 | 0 | 0 | 114.5 | W473 K477 D478 | W473-E475 PolarHBondContact O-N 2.83Å; E475-K477 PolarHBondContact O-N 3.08Å; E475-D478 PolarHBondContact O-N 3.03Å |
| 476 | Y | 98.5 | Very high | 97.2 | Very high | 31 Ų | 31 | 27.5 Ų | 27.5 | 12% | 0.122 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -73.8 | -10.3 | -179.5 | -73.2 | -106.5 | 0 | 0 | 0 | 113.2 | W358 W473 D474 D478 Y479 F510 K511 M514 L527 | W358-Y476 AromaticContact CH2-CD1 3.62Å; W358-Y476 HydrophobicContact CH2-CD1 3.62Å; W358-Y476 HydrophobicContact CH2-CE1 4.02Å; W358-Y476 AromaticContact CZ3-CD1 3.62Å; W358-Y476 HydrophobicContact CZ3-CD1 3.62Å; W358-Y476 HydrophobicContact CZ3-CE1 4.46Å; W358-Y476 HydrophobicContact CZ3-CG 4.43Å; W473-Y476 WeakPolarHBondContact O-CA 3.5Å; W473-Y476 VanDerWaalsContact O-CB 3.29Å; W473-Y476 WeakPolarHBondContact O-CB 3.22Å; W473-Y476 PolarHBondContact O-N 3.08Å; D474-Y476 PolarHBondContact O-N 3.18Å; Y476-D478 PolarHBondContact O-N 3.15Å; Y476-Y479 AromaticContact CD1-CD2 3.69Å; Y476-Y479 HydrophobicContact CD1-CD2 3.69Å; Y476-Y479 AromaticContact CD1-CE2 3.68Å; Y476-Y479 HydrophobicContact CD1-CE2 3.68Å; Y476-Y479 HydrophobicContact CE1-CE2 4.17Å; Y476-Y479 HydrophobicContact CG-CD2 4.13Å; Y476-Y479 HydrophobicContact CG-CE2 4.16Å; Y476-Y479 WeakPolarHBondContact O-CB 3.41Å; Y476-Y479 WeakPolarHBondContact O-CD2 3.22Å; Y476-Y479 PolarHBondContact O-N 3.01Å; Y476-Y479 VanDerWaalsContact O-N 3.07Å; Y476-F510 HydrophobicContact CD1-CD1 4.27Å; Y476-F510 HydrophobicContact CD1-CE1 4.18Å; Y476-F510 AromaticContact CD2-CD1 3.57Å; Y476-F510 HydrophobicContact CD2-CD1 3.57Å; Y476-F510 HydrophobicContact CD2-CE1 4.29Å; Y476-F510 HydrophobicContact CE2-CD1 4.22Å; Y476-F510 AromaticContact CG-CD1 3.59Å; Y476-F510 HydrophobicContact CG-CD1 3.59Å; Y476-F510 AromaticContact CG-CE1 3.85Å; Y476-F510 HydrophobicContact CG-CE1 3.85Å; Y476-K511 HydrophobicContact CE2-CB 4.17Å; Y476-M514 HydrophobicContact CD1-CG 4.42Å; Y476-M514 HydrophobicContact CE1-CB 4.44Å; Y476-M514 HydrophobicContact CE1-CG 3.98Å; Y476-L527 HydrophobicContact CD1-CD2 4.39Å; Y476-L527 HydrophobicContact CE1-CD2 4.33Å |
| 477 | K | 98.2 | Very high | 96.9 | Very high | 64 Ų | 64 | 27.5 Ų | 27.5 | 28% | 0.278 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -58.4 | -26.1 | 173 | 69.8 | -169.4 | -174.1 | 170.8 | 0 | 113.2 | V469 E470 D474 E475 Y479 F480 Y481 | V469-K477 HydrophobicContact CG1-CB 3.31Å; E470-K477 IonicContact OE1-NZ 2.62Å; E470-K477 IonicContact OE2-NZ 3.32Å; E470-K477 PolarHBondContact OE2-NZ 3.44Å; D474-K477 WeakPolarHBondContact O-CD 3.4Å; D474-K477 WeakPolarHBondContact O-CG 3.35Å; D474-K477 PolarHBondContact O-N 3.2Å; E475-K477 PolarHBondContact O-N 3.08Å; K477-Y479 PolarHBondContact O-N 3.11Å; K477-F480 WeakPolarHBondContact O-CB 3.43Å; K477-F480 PolarHBondContact O-N 3.15Å; K477-F480 VanDerWaalsContact O-N 3.1Å; K477-Y481 HydrophobicContact CB-CD2 4.31Å; K477-Y481 HydrophobicContact CB-CE2 4.13Å; K477-Y481 HydrophobicContact CD-CE2 4.4Å; K477-Y481 HydrophobicContact CG-CD2 4.39Å; K477-Y481 HydrophobicContact CG-CE2 4.22Å; K477-Y481 WeakPolarHBondContact O-CD2 3.45Å; K477-Y481 PolarHBondContact O-N 3.21Å |
| 478 | D | 97.4 | Very high | 96.5 | Very high | 91 Ų | 91 | 31.8 Ų | 31.8 | 49% | 0.487 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.1 | -37.4 | 175.4 | -71.3 | 0.4 | 0 | 0 | 0 | 111.8 | E475 Y476 Y481 A482 | E475-D478 PolarHBondContact O-N 3.03Å; Y476-D478 PolarHBondContact O-N 3.15Å; D478-Y481 PolarHBondContact O-N 3.35Å; D478-A482 WeakPolarHBondContact O-CB 3.28Å; D478-A482 PolarHBondContact O-N 3.3Å |
| 479 | Y | 97.8 | Very high | 96 | Very high | 73 Ų | 73 | 35 Ų | 35 | 29% | 0.286 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -71 | -33.3 | 177.3 | -57.4 | -60.7 | 0 | 0 | 0 | 112.4 | W358 Y476 K477 S483 L527 P528 | W358-Y479 HydrophobicContact CE3-CD2 4.35Å; W358-Y479 HydrophobicContact CE3-CG 4.34Å; W358-Y479 HydrophobicContact CZ3-CD2 4.29Å; Y476-Y479 AromaticContact CD1-CD2 3.69Å; Y476-Y479 HydrophobicContact CD1-CD2 3.69Å; Y476-Y479 AromaticContact CD1-CE2 3.68Å; Y476-Y479 HydrophobicContact CD1-CE2 3.68Å; Y476-Y479 HydrophobicContact CE1-CE2 4.17Å; Y476-Y479 HydrophobicContact CG-CD2 4.13Å; Y476-Y479 HydrophobicContact CG-CE2 4.16Å; Y476-Y479 WeakPolarHBondContact O-CB 3.41Å; Y476-Y479 WeakPolarHBondContact O-CD2 3.22Å; Y476-Y479 PolarHBondContact O-N 3.01Å; Y476-Y479 VanDerWaalsContact O-N 3.07Å; K477-Y479 PolarHBondContact O-N 3.11Å; Y479-S483 WeakPolarHBondContact O-CB 3.35Å; Y479-S483 PolarHBondContact O-N 2.94Å; Y479-S483 VanDerWaalsContact O-N 3.07Å; Y479-S483 PolarHBondContact O-OG 3.49Å; Y479-L527 HydrophobicContact CD1-CB 4.11Å; Y479-L527 HydrophobicContact CD1-CD2 4.13Å; Y479-L527 HydrophobicContact CD2-CD2 3.7Å; Y479-L527 HydrophobicContact CE1-CB 3.88Å; Y479-L527 HydrophobicContact CE1-CD1 4.32Å; Y479-L527 HydrophobicContact CE1-CD2 4.1Å; Y479-L527 HydrophobicContact CE1-CG 4.33Å; Y479-L527 HydrophobicContact CE2-CD1 4.33Å; Y479-L527 HydrophobicContact CE2-CD2 3.67Å; Y479-L527 HydrophobicContact CG-CD2 3.94Å; Y479-P528 HydrophobicContact CD1-CG 4.09Å; Y479-P528 HydrophobicContact CG-CG 4.41Å; Y479-P528 WeakPolarHBondContact O-CG 3.41Å |
| 480 | F | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -49 | 172.3 | 174.5 | -97.1 | 0 | 0 | 0 | 111.4 | W358 M360 V466 V469 W473 K477 A482 S483 R484 S487 | W358-F480 VanDerWaalsContact O-CA 3.31Å; W358-F480 WeakPolarHBondContact O-CA 3.17Å; M360-F480 HydrophobicContact CB-CD2 4.25Å; M360-F480 HydrophobicContact CB-CE2 4.07Å; V466-F480 HydrophobicContact CG2-CE1 4.07Å; V466-F480 HydrophobicContact CG2-CZ 4.39Å; V469-F480 HydrophobicContact CB-CD1 4.37Å; V469-F480 HydrophobicContact CB-CG 4.49Å; V469-F480 HydrophobicContact CG1-CB 4.07Å; V469-F480 HydrophobicContact CG1-CD1 4.03Å; V469-F480 HydrophobicContact CG1-CG 4.16Å; V469-F480 HydrophobicContact CG2-CB 4.2Å; V469-F480 HydrophobicContact CG2-CD1 4.09Å; V469-F480 HydrophobicContact CG2-CD2 3.94Å; V469-F480 HydrophobicContact CG2-CE1 4.47Å; V469-F480 HydrophobicContact CG2-CE2 4.33Å; V469-F480 HydrophobicContact CG2-CG 3.8Å; W473-F480 HydrophobicContact CE3-CB 4.11Å; W473-F480 HydrophobicContact CZ3-CB 3.82Å; K477-F480 WeakPolarHBondContact O-CB 3.43Å; K477-F480 PolarHBondContact O-N 3.15Å; K477-F480 VanDerWaalsContact O-N 3.1Å; F480-A482 VanDerWaalsContact C-N 3.28Å; F480-A482 PolarHBondContact O-N 2.83Å; F480-S483 PolarHBondContact O-N 3.07Å; F480-R484 HydrophobicContact CZ-CB 4.44Å; F480-R484 PolarHBondContact O-N 3Å; F480-S487 WeakPolarHBondContact CE1-OG 3.44Å |
| 481 | Y | 97.1 | Very high | 95.2 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.6 | -23.2 | 178.4 | -68.8 | -54.2 | 0 | 0 | 0 | 113.7 | V466 E470 K477 D478 P485 Q488 | V466-Y481 HydrophobicContact CG1-CE1 4.46Å; V466-Y481 WeakPolarHBondContact CG1-OH 3.34Å; E470-Y481 WeakPolarHBondContact OE1-CE2 3.4Å; E470-Y481 PolarHBondContact OE1-OH 3.37Å; K477-Y481 HydrophobicContact CB-CD2 4.31Å; K477-Y481 HydrophobicContact CB-CE2 4.13Å; K477-Y481 HydrophobicContact CD-CE2 4.4Å; K477-Y481 HydrophobicContact CG-CD2 4.39Å; K477-Y481 HydrophobicContact CG-CE2 4.22Å; K477-Y481 WeakPolarHBondContact O-CD2 3.45Å; K477-Y481 PolarHBondContact O-N 3.21Å; D478-Y481 PolarHBondContact O-N 3.35Å; Y481-P485 WeakPolarHBondContact O-CA 3.46Å; Y481-P485 WeakPolarHBondContact O-CB 3.28Å; Y481-Q488 HydrophobicContact CD1-CB 4.32Å; Y481-Q488 HydrophobicContact CD1-CG 3.61Å; Y481-Q488 HydrophobicContact CE1-CG 4.36Å; Y481-Q488 HydrophobicContact CG-CG 3.93Å; Y481-Q488 PolarHBondContact O-NE2 3.5Å |
| 482 | A | 95.5 | Very high | 94.9 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 7% | 0.066 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.8 | -38.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D478 F480 P528 N531 R572 | D478-A482 WeakPolarHBondContact O-CB 3.28Å; D478-A482 PolarHBondContact O-N 3.3Å; F480-A482 VanDerWaalsContact C-N 3.28Å; F480-A482 PolarHBondContact O-N 2.83Å; A482-P528 HydrophobicContact CB-CG 4.4Å; A482-N531 WeakPolarHBondContact CA-ND2 3.13Å; A482-N531 PolarHBondContact O-ND2 3.28Å; A482-N531 PolarHBondContact O-OD1 3.17Å; A482-R572 VanDerWaalsContact O-CD 3.24Å; A482-R572 WeakPolarHBondContact O-CD 3.49Å |
| 483 | S | 95.1 | Very high | 94.7 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.3 | -39 | -179.4 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | W358 S359 Y479 F480 R572 | W358-S483 WeakPolarHBondContact CB-OG 3.37Å; W358-S483 WeakPolarHBondContact O-CB 3.26Å; W358-S483 PolarHBondContact O-OG 3.36Å; S359-S483 WeakPolarHBondContact OG-CB 3.41Å; Y479-S483 WeakPolarHBondContact O-CB 3.35Å; Y479-S483 PolarHBondContact O-N 2.94Å; Y479-S483 VanDerWaalsContact O-N 3.07Å; Y479-S483 PolarHBondContact O-OG 3.49Å; F480-S483 PolarHBondContact O-N 3.07Å; S483-R572 PolarHBondContact O-NH1 3.21Å; S483-R572 VanDerWaalsContact O-NH1 3.09Å |
| 484 | R | 93.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | trans | -126.9 | 67.4 | -179.1 | -64.8 | -168.7 | -179.6 | -132.3 | -2 | 111.4 | S359 F480 E486 S487 | S359-R484 PolarHBondContact O-NE 3.01Å; S359-R484 PolarHBondContact O-NH2 2.89Å; F480-R484 HydrophobicContact CZ-CB 4.44Å; F480-R484 PolarHBondContact O-N 3Å; R484-E486 WeakPolarHBondContact CA-OE2 3.42Å; R484-E486 PolarHBondContact O-N 2.89Å; R484-S487 WeakPolarHBondContact O-CB 3.42Å; R484-S487 PolarHBondContact O-N 3.42Å; R484-S487 PolarHBondContact O-OG 2.94Å | ||
| 485 | P | 93.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -64.3 | -21.2 | -176.5 | 30.2 | -37.7 | 0 | 0 | 0 | 113.4 | Y481 S487 Q488 W534 | Y481-P485 WeakPolarHBondContact O-CA 3.46Å; Y481-P485 WeakPolarHBondContact O-CB 3.28Å; P485-S487 PolarHBondContact O-N 2.8Å; P485-Q488 WeakPolarHBondContact O-CG 3.33Å; P485-Q488 PolarHBondContact O-N 2.97Å; P485-W534 HydrophobicContact CB-CB 4.08Å; P485-W534 HydrophobicContact CB-CD2 3.47Å; P485-W534 VanDerWaalsContact CB-CD2 3.47Å; P485-W534 HydrophobicContact CB-CE3 4.03Å; P485-W534 HydrophobicContact CB-CG 3.46Å; P485-W534 VanDerWaalsContact CB-CG 3.46Å; P485-W534 HydrophobicContact CB-CZ2 4.38Å; P485-W534 HydrophobicContact CG-CB 3.63Å; P485-W534 HydrophobicContact CG-CD2 3.65Å; P485-W534 HydrophobicContact CG-CE3 3.86Å; P485-W534 HydrophobicContact CG-CG 3.54Å; P485-W534 WeakPolarHBondContact O-CZ2 3.48Å |
| 486 | E | 90.3 | Very high | 94.7 | Very high | 34 Ų | 34 | 45.9 Ų | 45.9 | 16% | 0.159 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -59.3 | -17.4 | 172 | 69.5 | -82.2 | -166 | 0 | 0 | 114 | L462 R484 W534 L570 | L462-E486 HydrophobicContact CD2-CG 4.28Å; R484-E486 WeakPolarHBondContact CA-OE2 3.42Å; R484-E486 PolarHBondContact O-N 2.89Å; E486-W534 HydrophobicContact CB-CZ3 4.08Å; E486-L570 HydrophobicContact CB-CD2 3.86Å; E486-L570 HydrophobicContact CG-CD2 3.97Å; E486-L570 WeakPolarHBondContact OE2-CD2 3.34Å |
| 487 | S | 92.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -91.6 | -7.7 | -178.8 | 68.8 | 0 | 0 | 0 | 0 | 114.8 | F480 R484 P485 A489 L490 | F480-S487 WeakPolarHBondContact CE1-OG 3.44Å; R484-S487 WeakPolarHBondContact O-CB 3.42Å; R484-S487 PolarHBondContact O-N 3.42Å; R484-S487 PolarHBondContact O-OG 2.94Å; P485-S487 PolarHBondContact O-N 2.8Å; S487-A489 VanDerWaalsContact C-N 3.34Å; S487-A489 PolarHBondContact O-N 3.45Å; S487-L490 VanDerWaalsContact O-CB 3.29Å; S487-L490 WeakPolarHBondContact O-CB 3.46Å; S487-L490 PolarHBondContact O-N 3.32Å |
| 488 | Q | 90.4 | Very high | 94.7 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -38.2 | -172.3 | -73.3 | -178.6 | 26.2 | 0 | 0 | 114 | Y481 P485 | Y481-Q488 HydrophobicContact CD1-CB 4.32Å; Y481-Q488 HydrophobicContact CD1-CG 3.61Å; Y481-Q488 HydrophobicContact CE1-CG 4.36Å; Y481-Q488 HydrophobicContact CG-CG 3.93Å; Y481-Q488 PolarHBondContact O-NE2 3.5Å; P485-Q488 WeakPolarHBondContact O-CG 3.33Å; P485-Q488 PolarHBondContact O-N 2.97Å |
| 489 | A | 87.9 | Confident | 94.7 | Very high | 68 Ų | 68 | 49.3 Ų | 49.3 | 56% | 0.562 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 15.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S487 | S487-A489 VanDerWaalsContact C-N 3.34Å; S487-A489 PolarHBondContact O-N 3.45Å |
| 490 | L | 89.8 | Confident | 94.7 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | trans | -76.3 | 128.1 | -173.8 | -166.3 | 71.4 | 0 | 0 | 0 | 110.6 | L462 K463 V466 S487 Y492 | L462-L490 HydrophobicContact CB-CD2 4.28Å; L462-L490 HydrophobicContact CD2-CD2 4.05Å; L462-L490 HydrophobicContact CG-CD2 3.86Å; K463-L490 HydrophobicContact CB-CD2 4.26Å; K463-L490 HydrophobicContact CG-CD1 4.46Å; K463-L490 HydrophobicContact CG-CD2 3.53Å; K463-L490 HydrophobicContact CG-CG 3.93Å; V466-L490 HydrophobicContact CG2-CD2 4.1Å; S487-L490 VanDerWaalsContact O-CB 3.29Å; S487-L490 WeakPolarHBondContact O-CB 3.46Å; S487-L490 PolarHBondContact O-N 3.32Å; L490-Y492 WeakPolarHBondContact O-CD1 3.31Å; L490-Y492 PolarHBondContact O-N 2.57Å | ||
| 491 | P | 90.9 | Very high | 94.7 | Very high | 83 Ų | 83 | 53.1 Ų | 53.1 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | trans | -72 | 100.5 | 175.3 | 27.7 | -33 | 0 | 0 | 0 | 110.2 | ||||
| 492 | Y | 93.1 | Very high | 94.8 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | trans | -93.5 | 3.2 | -177.1 | 55.4 | -103.2 | 0 | 0 | 0 | 114.3 | V466 R467 E470 L490 I495 | V466-Y492 HydrophobicContact CB-CD1 4.22Å; V466-Y492 HydrophobicContact CB-CG 4.37Å; V466-Y492 HydrophobicContact CG1-CD1 3.29Å; V466-Y492 HydrophobicContact CG1-CE1 3.87Å; V466-Y492 HydrophobicContact CG1-CG 3.8Å; R467-Y492 WeakPolarHBondContact CD-O 3.31Å; R467-Y492 VanDerWaalsContact CG-O 3.22Å; R467-Y492 WeakPolarHBondContact CG-O 3.41Å; R467-Y492 PolarHBondContact NH1-O 3.37Å; E470-Y492 HydrophobicContact CG-CE1 4.12Å; E470-Y492 HydrophobicContact CG-CE2 4.42Å; L490-Y492 WeakPolarHBondContact O-CD1 3.31Å; L490-Y492 PolarHBondContact O-N 2.57Å; Y492-I495 HydrophobicContact CD2-CD1 4.46Å; Y492-I495 HydrophobicContact CD2-CG2 4.13Å; Y492-I495 HydrophobicContact CE2-CD1 3.72Å; Y492-I495 HydrophobicContact CE2-CG1 4.14Å; Y492-I495 HydrophobicContact CE2-CG2 4.34Å | ||
| 493 | G | 94.6 | Very high | 94.9 | Very high | 52 Ų | 52 | 59.1 Ų | 59.1 | 54% | 0.536 | 31% | 0.314 | S | S | . | . | trans | 78 | -173.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 494 | D | 97.4 | Very high | 95 | Very high | 112 Ų | 112 | 61.7 Ų | 61.7 | 60% | 0.599 | 33% | 0.327 | S | S | * | . | trans | -75.5 | 134.3 | -178.5 | -170.7 | 8.7 | 0 | 0 | 0 | 111.5 | R467 S496 | R467-D494 PolarHBondContact NH1-O 3.01Å; R467-D494 PolarHBondContact NH2-O 3.37Å; D494-S496 WeakPolarHBondContact OD1-CB 3.45Å; D494-S496 PolarHBondContact OD1-N 2.81Å; D494-S496 PolarHBondContact OD1-OG 2.9Å | ||
| 495 | I | 98.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.062 | 33% | 0.327 | C | S | . | . | trans | -127.7 | 12.2 | 178.2 | 60.8 | 173.2 | 0 | 0 | 0 | 112 | R467 E470 V471 Y492 E497 L498 K499 | R467-I495 HydrophobicContact CB-CG2 4.38Å; R467-I495 HydrophobicContact CG-CG2 4.28Å; E470-I495 HydrophobicContact CB-CD1 3.63Å; V471-I495 HydrophobicContact CG2-CB 3.88Å; V471-I495 HydrophobicContact CG2-CD1 4.05Å; V471-I495 HydrophobicContact CG2-CG1 4.47Å; V471-I495 HydrophobicContact CG2-CG2 4.23Å; Y492-I495 HydrophobicContact CD2-CD1 4.46Å; Y492-I495 HydrophobicContact CD2-CG2 4.13Å; Y492-I495 HydrophobicContact CE2-CD1 3.72Å; Y492-I495 HydrophobicContact CE2-CG1 4.14Å; Y492-I495 HydrophobicContact CE2-CG2 4.34Å; I495-E497 PolarHBondContact O-N 2.86Å; I495-L498 HydrophobicContact CB-CD1 4.25Å; I495-L498 HydrophobicContact CG2-CD1 4.19Å; I495-L498 PolarHBondContact O-N 3.18Å; I495-K499 HydrophobicContact CD1-CD 4.23Å; I495-K499 HydrophobicContact CG1-CD 4.38Å; I495-K499 PolarHBondContact O-N 3.48Å | ||
| 496 | S | 98.4 | Very high | 95.3 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | -173.8 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | D494 L498 K499 K500 | D494-S496 WeakPolarHBondContact OD1-CB 3.45Å; D494-S496 PolarHBondContact OD1-N 2.81Å; D494-S496 PolarHBondContact OD1-OG 2.9Å; S496-L498 VanDerWaalsContact C-N 3.31Å; S496-L498 PolarHBondContact O-N 3.16Å; S496-K499 PolarHBondContact O-N 3.44Å; S496-K500 WeakPolarHBondContact O-CB 3.29Å; S496-K500 PolarHBondContact O-N 3.11Å |
| 497 | E | 98 | Very high | 95.7 | Very high | 161 Ų | 161 | 65.1 Ų | 65.1 | 75% | 0.752 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.4 | -34 | 178.5 | -64.9 | -173.3 | 169.9 | 0 | 0 | 112.5 | I495 K500 F501 | I495-E497 PolarHBondContact O-N 2.86Å; E497-K500 PolarHBondContact O-N 2.85Å; E497-F501 WeakPolarHBondContact O-CB 3.08Å; E497-F501 PolarHBondContact O-N 3Å |
| 498 | L | 98.3 | Very high | 96 | Very high | 18 Ų | 18 | 69.9 Ų | 69.9 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.6 | -41.8 | 178.2 | -64.2 | 160.2 | 0 | 0 | 0 | 111.6 | D406 V471 I495 S496 F501 R502 | D406-L498 HydrophobicContact CB-CD1 4.11Å; D406-L498 HydrophobicContact CB-CD2 3.79Å; D406-L498 VanDerWaalsContact CG-CD1 3.42Å; D406-L498 WeakPolarHBondContact OD1-CD1 3.47Å; V471-L498 HydrophobicContact CG1-CB 4Å; V471-L498 HydrophobicContact CG2-CB 3.84Å; V471-L498 HydrophobicContact CG2-CD1 4.2Å; I495-L498 HydrophobicContact CB-CD1 4.25Å; I495-L498 HydrophobicContact CG2-CD1 4.19Å; I495-L498 PolarHBondContact O-N 3.18Å; S496-L498 VanDerWaalsContact C-N 3.31Å; S496-L498 PolarHBondContact O-N 3.16Å; L498-F501 WeakPolarHBondContact O-CB 3.38Å; L498-F501 PolarHBondContact O-N 3.33Å; L498-R502 PolarHBondContact O-N 3.12Å; L498-R502 VanDerWaalsContact O-N 3.13Å |
| 499 | K | 98.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 67.5 Ų | 67.5 | 34% | 0.339 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 173.6 | -75 | -175.1 | 169.3 | 175.1 | 0 | 110.9 | E470 V471 I495 S496 F501 R502 E503 | E470-K499 WeakPolarHBondContact O-CE 3.38Å; V471-K499 HydrophobicContact CG2-CG 4.32Å; I495-K499 HydrophobicContact CD1-CD 4.23Å; I495-K499 HydrophobicContact CG1-CD 4.38Å; I495-K499 PolarHBondContact O-N 3.48Å; S496-K499 PolarHBondContact O-N 3.44Å; K499-F501 PolarHBondContact O-N 3.01Å; K499-R502 WeakPolarHBondContact O-CB 3.23Å; K499-R502 PolarHBondContact O-N 3.5Å; K499-R502 VanDerWaalsContact O-N 3.17Å; K499-E503 WeakPolarHBondContact O-CG 3.39Å; K499-E503 PolarHBondContact O-N 3.32Å |
| 500 | K | 97.9 | Very high | 97 | Very high | 123 Ų | 123 | 64.3 Ų | 64.3 | 54% | 0.535 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 174.9 | -178.4 | 171.2 | -179.3 | 173.3 | 0 | 112.2 | S496 E497 R502 E503 D504 | S496-K500 WeakPolarHBondContact O-CB 3.29Å; S496-K500 PolarHBondContact O-N 3.11Å; E497-K500 PolarHBondContact O-N 2.85Å; K500-R502 VanDerWaalsContact C-N 3.28Å; K500-R502 PolarHBondContact O-N 2.87Å; K500-E503 PolarHBondContact O-N 3.39Å; K500-D504 WeakPolarHBondContact CE-OD2 3.27Å; K500-D504 VanDerWaalsContact CG-OD2 3.31Å; K500-D504 WeakPolarHBondContact CG-OD2 3.29Å; K500-D504 WeakPolarHBondContact O-CB 3.15Å; K500-D504 VanDerWaalsContact O-CG 3.29Å; K500-D504 PolarHBondContact O-N 3.25Å |
| 501 | F | 98.4 | Very high | 97.4 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -53.7 | -47.4 | 174.2 | 169.4 | -88.1 | 0 | 0 | 0 | 111.5 | E401 L402 K422 W472 E497 L498 K499 D504 H505 | E401-F501 WeakPolarHBondContact O-CE2 3.4Å; L402-F501 HydrophobicContact CD2-CZ 4.41Å; K422-F501 HydrophobicContact CG-CE1 4.49Å; W472-F501 HydrophobicContact CH2-CD1 4.24Å; W472-F501 HydrophobicContact CH2-CE1 4.15Å; W472-F501 HydrophobicContact CZ2-CD1 4.45Å; E497-F501 WeakPolarHBondContact O-CB 3.08Å; E497-F501 PolarHBondContact O-N 3Å; L498-F501 WeakPolarHBondContact O-CB 3.38Å; L498-F501 PolarHBondContact O-N 3.33Å; K499-F501 PolarHBondContact O-N 3.01Å; F501-D504 PolarHBondContact O-N 3.5Å; F501-H505 AromaticContact CD2-CE1 3.45Å; F501-H505 VanDerWaalsContact CD2-CE1 3.45Å; F501-H505 WeakPolarHBondContact CD2-CE1 3.35Å; F501-H505 AromaticContact CD2-ND1 3.54Å; F501-H505 AromaticContact CE2-CE1 3.24Å; F501-H505 WeakPolarHBondContact CE2-CE1 3.32Å; F501-H505 AromaticContact CE2-ND1 3.47Å; F501-H505 WeakPolarHBondContact CE2-ND1 3.32Å; F501-H505 AromaticContact CE2-NE2 3.85Å; F501-H505 AromaticContact CZ-CE1 4Å; F501-H505 AromaticContact CZ-ND1 3.88Å; F501-H505 PolarHBondContact O-N 3.12Å; F501-H505 VanDerWaalsContact O-N 3.16Å; F501-H505 PolarHBondContact O-ND1 3.16Å |
| 502 | R | 98.3 | Very high | 97.8 | Very high | 30 Ų | 30 | 67.8 Ų | 67.8 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.1 | -41.6 | -180 | -171 | 179.8 | 178.8 | -150.8 | -8.4 | 112.2 | V471 W472 D474 L498 K499 K500 N506 C507 K508 | V471-R502 WeakPolarHBondContact O-CD 3.47Å; V471-R502 PolarHBondContact O-NH1 3.16Å; W472-R502 HydrophobicContact CE3-CG 4.36Å; W472-R502 HydrophobicContact CH2-CB 4.24Å; W472-R502 HydrophobicContact CH2-CG 4.13Å; W472-R502 HydrophobicContact CZ3-CB 4.39Å; W472-R502 HydrophobicContact CZ3-CG 3.79Å; D474-R502 VanDerWaalsContact CG-NH2 3.31Å; D474-R502 IonicContact OD1-CZ 2.75Å; D474-R502 VanDerWaalsContact OD1-CZ 3.3Å; D474-R502 IonicContact OD1-NH1 2.59Å; D474-R502 PolarHBondContact OD1-NH1 2.79Å; D474-R502 IonicContact OD1-NH2 3.61Å; D474-R502 PolarHBondContact OD1-NH2 3.05Å; D474-R502 VanDerWaalsContact OD1-NH2 3.11Å; D474-R502 IonicContact OD2-CZ 3.75Å; D474-R502 IonicContact OD2-NH1 3.3Å; D474-R502 IonicContact OD2-NH2 3.33Å; D474-R502 PolarHBondContact OD2-NH2 3.05Å; L498-R502 PolarHBondContact O-N 3.12Å; L498-R502 VanDerWaalsContact O-N 3.13Å; K499-R502 WeakPolarHBondContact O-CB 3.23Å; K499-R502 PolarHBondContact O-N 3.5Å; K499-R502 VanDerWaalsContact O-N 3.17Å; K500-R502 VanDerWaalsContact C-N 3.28Å; K500-R502 PolarHBondContact O-N 2.87Å; R502-N506 PolarHBondContact O-N 3.26Å; R502-C507 HydrophobicContact CG-CB 3.8Å; R502-C507 PolarHBondContact O-N 3.07Å; R502-C507 VanDerWaalsContact O-N 3.09Å; R502-K508 PolarHBondContact NH2-O 3.04Å |
| 503 | E | 97.6 | Very high | 98 | Very high | 129 Ų | 129 | 64.4 Ų | 64.4 | 60% | 0.603 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.6 | -48.3 | 176.9 | -71 | 173.4 | -166 | 0 | 0 | 112.2 | K499 K500 H505 N506 | K499-E503 WeakPolarHBondContact O-CG 3.39Å; K499-E503 PolarHBondContact O-N 3.32Å; K500-E503 PolarHBondContact O-N 3.39Å; E503-H505 VanDerWaalsContact C-N 3.29Å; E503-H505 PolarHBondContact O-N 3.03Å; E503-N506 PolarHBondContact O-N 2.92Å |
| 504 | D | 97 | Very high | 98.2 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.7 | -32.8 | -175.7 | -72.5 | -16.7 | 0 | 0 | 0 | 112.1 | L113 K500 F501 N506 | L113-D504 HydrophobicContact CD1-CB 3.83Å; L113-D504 HydrophobicContact CG-CB 4.33Å; L113-D504 PolarHBondContact N-O 3.38Å; K500-D504 WeakPolarHBondContact CE-OD2 3.27Å; K500-D504 VanDerWaalsContact CG-OD2 3.31Å; K500-D504 WeakPolarHBondContact CG-OD2 3.29Å; K500-D504 WeakPolarHBondContact O-CB 3.15Å; K500-D504 VanDerWaalsContact O-CG 3.29Å; K500-D504 PolarHBondContact O-N 3.25Å; F501-D504 PolarHBondContact O-N 3.5Å; D504-N506 VanDerWaalsContact C-N 3.32Å |
| 505 | H | 97.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 62.8 Ų | 62.8 | 15% | 0.153 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 2.7 | 175.7 | -67.9 | 82.4 | 0 | 0 | 0 | 113.6 | F115 F501 E503 C507 | F115-H505 AromaticContact CE1-CD2 3.78Å; F501-H505 AromaticContact CD2-CE1 3.45Å; F501-H505 VanDerWaalsContact CD2-CE1 3.45Å; F501-H505 WeakPolarHBondContact CD2-CE1 3.35Å; F501-H505 AromaticContact CD2-ND1 3.54Å; F501-H505 AromaticContact CE2-CE1 3.24Å; F501-H505 WeakPolarHBondContact CE2-CE1 3.32Å; F501-H505 AromaticContact CE2-ND1 3.47Å; F501-H505 WeakPolarHBondContact CE2-ND1 3.32Å; F501-H505 AromaticContact CE2-NE2 3.85Å; F501-H505 AromaticContact CZ-CE1 4Å; F501-H505 AromaticContact CZ-ND1 3.88Å; F501-H505 PolarHBondContact O-N 3.12Å; F501-H505 VanDerWaalsContact O-N 3.16Å; F501-H505 PolarHBondContact O-ND1 3.16Å; E503-H505 VanDerWaalsContact C-N 3.29Å; E503-H505 PolarHBondContact O-N 3.03Å; H505-C507 PolarHBondContact O-N 3.32Å |
| 506 | N | 97.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 66.6 Ų | 66.6 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 42.8 | -179.2 | -155.8 | 56.3 | 0 | 0 | 0 | 112.6 | Y112 R502 E503 D504 | Y112-N506 HydrophobicContact CD1-CB 3.57Å; Y112-N506 HydrophobicContact CE1-CB 3.88Å; Y112-N506 WeakPolarHBondContact CE1-OD1 3.29Å; Y112-N506 HydrophobicContact CG-CB 3.94Å; R502-N506 PolarHBondContact O-N 3.26Å; E503-N506 PolarHBondContact O-N 2.92Å; D504-N506 VanDerWaalsContact C-N 3.32Å |
| 507 | C | 98.5 | Very high | 98.3 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 13% | 0.128 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 146.2 | -177.7 | -53.4 | 0 | 0 | 0 | 0 | 110.4 | Q425 C426 W472 R502 H505 | Q425-C507 HydrophobicContact CB-CB 4.22Å; Q425-C507 CarbonylContact O-C 3.57Å; Q425-C507 WeakPolarHBondContact O-CA 3.21Å; C426-C507 HydrophobicContact CB-CB 4.07Å; C426-C507 WeakPolarHBondContact CB-SG 3.45Å; C426-C507 WeakPolarHBondContact SG-CB 3.47Å; C426-C507 CovalentContact SG-SG 2.05Å; C426-C507 PolarHBondContact SG-SG 3.05Å; W472-C507 HydrophobicContact CZ3-CB 4.48Å; R502-C507 HydrophobicContact CG-CB 3.8Å; R502-C507 PolarHBondContact O-N 3.07Å; R502-C507 VanDerWaalsContact O-N 3.09Å; H505-C507 PolarHBondContact O-N 3.32Å |
| 508 | K | 98.7 | Very high | 98.3 | Very high | 100 Ų | 100 | 55.5 Ų | 55.5 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 158.7 | -178.9 | -58 | -177.5 | -167.9 | -56.2 | 0 | 111.2 | Q425 R502 W512 | Q425-K508 PolarHBondContact O-N 3.33Å; Q425-K508 PolarHBondContact OE1-O 3.26Å; R502-K508 PolarHBondContact NH2-O 3.04Å; K508-W512 HydrophobicContact CB-CB 4.39Å; K508-W512 HydrophobicContact CB-CD2 3.79Å; K508-W512 HydrophobicContact CB-CE3 3.48Å; K508-W512 VanDerWaalsContact CB-CE3 3.48Å; K508-W512 HydrophobicContact CB-CG 4.16Å; K508-W512 HydrophobicContact CB-CZ3 4.11Å; K508-W512 HydrophobicContact CD-CD2 3.35Å; K508-W512 HydrophobicContact CD-CE3 3.55Å; K508-W512 HydrophobicContact CD-CG 4.02Å; K508-W512 HydrophobicContact CD-CH2 3.74Å; K508-W512 HydrophobicContact CD-CZ2 3.54Å; K508-W512 HydrophobicContact CD-CZ3 3.74Å; K508-W512 HydrophobicContact CG-CD2 4.19Å; K508-W512 HydrophobicContact CG-CE3 4.14Å; K508-W512 HydrophobicContact CG-CZ3 4.49Å |
| 509 | S | 98.8 | Very high | 98.3 | Very high | 53 Ų | 53 | 56.8 Ų | 56.8 | 37% | 0.371 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 159 | 177.5 | 63.4 | 0 | 0 | 0 | 0 | 112.3 | K511 W512 F513 | S509-K511 VanDerWaalsContact C-N 3.26Å; S509-K511 PolarHBondContact O-N 2.6Å; S509-W512 PolarHBondContact O-N 3.42Å; S509-W512 PolarHBondContact OG-N 3Å; S509-F513 PolarHBondContact O-N 3.25Å |
| 510 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -33.1 | 173.9 | -163.4 | -108.3 | 0 | 0 | 0 | 112.2 | W356 Y421 W472 W473 D474 Y476 W512 F513 M514 | W356-F510 AromaticContact CZ2-CZ 3.9Å; W356-F510 HydrophobicContact CZ2-CZ 3.9Å; Y421-F510 HydrophobicContact CD1-CE2 4.07Å; Y421-F510 AromaticContact CE1-CE2 3.93Å; Y421-F510 HydrophobicContact CE1-CE2 3.93Å; Y421-F510 HydrophobicContact CE1-CZ 4.5Å; W472-F510 VanDerWaalsContact O-CB 3.32Å; W472-F510 WeakPolarHBondContact O-CB 3.49Å; W472-F510 WeakPolarHBondContact O-CD2 3.42Å; W472-F510 WeakPolarHBondContact O-CG 3.26Å; W473-F510 HydrophobicContact CB-CD1 4.39Å; W473-F510 HydrophobicContact CB-CE1 4.48Å; W473-F510 HydrophobicContact CB-CG 4.47Å; W473-F510 AromaticContact CD1-CD2 3.87Å; W473-F510 AromaticContact CD1-CE2 3.4Å; W473-F510 VanDerWaalsContact CD1-CE2 3.4Å; W473-F510 AromaticContact CD1-CZ 3.58Å; W473-F510 HydrophobicContact CD2-CE1 4.2Å; W473-F510 AromaticContact CD2-CZ 3.99Å; W473-F510 HydrophobicContact CD2-CZ 3.99Å; W473-F510 AromaticContact CE2-CZ 3.8Å; W473-F510 HydrophobicContact CG-CD1 4.41Å; W473-F510 HydrophobicContact CG-CD2 4.4Å; W473-F510 HydrophobicContact CG-CE1 4.07Å; W473-F510 HydrophobicContact CG-CE2 4.07Å; W473-F510 AromaticContact CG-CZ 3.88Å; W473-F510 HydrophobicContact CG-CZ 3.88Å; W473-F510 AromaticContact NE1-CE2 3.55Å; W473-F510 AromaticContact NE1-CZ 3.51Å; D474-F510 HydrophobicContact CB-CB 4.35Å; D474-F510 PolarHBondContact OD2-N 3.2Å; Y476-F510 HydrophobicContact CD1-CD1 4.27Å; Y476-F510 HydrophobicContact CD1-CE1 4.18Å; Y476-F510 AromaticContact CD2-CD1 3.57Å; Y476-F510 HydrophobicContact CD2-CD1 3.57Å; Y476-F510 HydrophobicContact CD2-CE1 4.29Å; Y476-F510 HydrophobicContact CE2-CD1 4.22Å; Y476-F510 AromaticContact CG-CD1 3.59Å; Y476-F510 HydrophobicContact CG-CD1 3.59Å; Y476-F510 AromaticContact CG-CE1 3.85Å; Y476-F510 HydrophobicContact CG-CE1 3.85Å; F510-W512 PolarHBondContact O-N 3.38Å; F510-F513 AromaticContact CD2-CD1 3.8Å; F510-F513 HydrophobicContact CD2-CD1 3.8Å; F510-F513 HydrophobicContact CD2-CE1 4.43Å; F510-F513 AromaticContact CE2-CD1 3.53Å; F510-F513 HydrophobicContact CE2-CD1 3.53Å; F510-F513 AromaticContact CE2-CE1 3.73Å; F510-F513 HydrophobicContact CE2-CE1 3.73Å; F510-F513 HydrophobicContact CZ-CD1 4.1Å; F510-F513 HydrophobicContact CZ-CE1 4.18Å; F510-F513 WeakPolarHBondContact O-CB 3.24Å; F510-F513 PolarHBondContact O-N 3.36Å; F510-F513 VanDerWaalsContact O-N 3.12Å; F510-M514 HydrophobicContact CD1-CG 3.75Å; F510-M514 HydrophobicContact CE1-CG 3.51Å; F510-M514 HydrophobicContact CE1-SD 3.81Å; F510-M514 HydrophobicContact CZ-CG 4.16Å; F510-M514 HydrophobicContact CZ-SD 4.01Å; F510-M514 WeakPolarHBondContact O-CG 3.36Å; F510-M514 PolarHBondContact O-N 2.82Å |
| 511 | K | 98.8 | Very high | 98.3 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 41% | 0.413 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.1 | -47.6 | 172.8 | -176.9 | 177.1 | 177.6 | 178.9 | 0 | 112.1 | Y476 S509 F513 M514 E515 | Y476-K511 HydrophobicContact CE2-CB 4.17Å; S509-K511 VanDerWaalsContact C-N 3.26Å; S509-K511 PolarHBondContact O-N 2.6Å; K511-F513 VanDerWaalsContact C-N 3.27Å; K511-F513 PolarHBondContact O-N 3.47Å; K511-M514 PolarHBondContact O-N 2.72Å; K511-E515 WeakPolarHBondContact CE-OE1 3.37Å; K511-E515 HydrophobicContact CG-CG 4.48Å; K511-E515 IonicContact NZ-OE1 3.83Å; K511-E515 WeakPolarHBondContact O-CG 3.34Å; K511-E515 PolarHBondContact O-N 2.94Å |
| 512 | W | 98.8 | Very high | 98.2 | Very high | 72 Ų | 72 | 49 Ų | 49 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.6 | -44.9 | 174.4 | 164.8 | 83.2 | 0 | 0 | 0 | 110.9 | W424 K508 S509 F510 M514 E515 E516 I517 | W424-W512 WeakPolarHBondContact O-CH2 3.42Å; W424-W512 WeakPolarHBondContact O-CZ3 3.32Å; K508-W512 HydrophobicContact CB-CB 4.39Å; K508-W512 HydrophobicContact CB-CD2 3.79Å; K508-W512 HydrophobicContact CB-CE3 3.48Å; K508-W512 VanDerWaalsContact CB-CE3 3.48Å; K508-W512 HydrophobicContact CB-CG 4.16Å; K508-W512 HydrophobicContact CB-CZ3 4.11Å; K508-W512 HydrophobicContact CD-CD2 3.35Å; K508-W512 HydrophobicContact CD-CE3 3.55Å; K508-W512 HydrophobicContact CD-CG 4.02Å; K508-W512 HydrophobicContact CD-CH2 3.74Å; K508-W512 HydrophobicContact CD-CZ2 3.54Å; K508-W512 HydrophobicContact CD-CZ3 3.74Å; K508-W512 HydrophobicContact CG-CD2 4.19Å; K508-W512 HydrophobicContact CG-CE3 4.14Å; K508-W512 HydrophobicContact CG-CZ3 4.49Å; S509-W512 PolarHBondContact O-N 3.42Å; S509-W512 PolarHBondContact OG-N 3Å; F510-W512 PolarHBondContact O-N 3.38Å; W512-M514 PolarHBondContact O-N 2.68Å; W512-E515 PolarHBondContact O-N 3.3Å; W512-E516 HydrophobicContact CZ2-CB 4.32Å; W512-E516 HydrophobicContact CZ2-CG 3.94Å; W512-E516 VanDerWaalsContact O-CB 3.24Å; W512-E516 WeakPolarHBondContact O-CB 3.46Å; W512-E516 PolarHBondContact O-N 2.89Å; W512-I517 HydrophobicContact CH2-CD1 4.44Å; W512-I517 HydrophobicContact CH2-CG1 3.94Å; W512-I517 HydrophobicContact CZ2-CG1 4.33Å; W512-I517 HydrophobicContact CZ3-CG1 4.39Å |
| 513 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | -179.7 | 167.3 | -107.5 | 0 | 0 | 0 | 112.1 | W356 P385 Y421 W424 Q425 S509 F510 K511 I517 A518 | W356-F513 HydrophobicContact CH2-CD1 4.48Å; W356-F513 AromaticContact CH2-CE1 3.27Å; W356-F513 HydrophobicContact CH2-CE1 3.27Å; W356-F513 AromaticContact CH2-CZ 3.52Å; W356-F513 HydrophobicContact CH2-CZ 3.52Å; W356-F513 AromaticContact CZ2-CE1 3.79Å; W356-F513 HydrophobicContact CZ2-CE1 3.79Å; W356-F513 HydrophobicContact CZ2-CZ 4.46Å; W356-F513 HydrophobicContact CZ3-CE1 4.28Å; W356-F513 HydrophobicContact CZ3-CZ 4.16Å; P385-F513 HydrophobicContact CB-CZ 4.17Å; Y421-F513 HydrophobicContact CD1-CD1 4.42Å; Y421-F513 AromaticContact CD1-CE1 3.67Å; Y421-F513 HydrophobicContact CD1-CE1 3.67Å; Y421-F513 AromaticContact CD1-CZ 3.85Å; Y421-F513 HydrophobicContact CD1-CZ 3.85Å; Y421-F513 AromaticContact CE1-CE1 3.61Å; Y421-F513 HydrophobicContact CE1-CE1 3.61Å; Y421-F513 AromaticContact CE1-CZ 3.91Å; Y421-F513 HydrophobicContact CE1-CZ 3.91Å; W424-F513 HydrophobicContact CB-CD2 3.69Å; W424-F513 HydrophobicContact CB-CE2 3.78Å; W424-F513 AromaticContact CD1-CE2 3.5Å; W424-F513 VanDerWaalsContact CD1-CE2 3.5Å; W424-F513 HydrophobicContact CG-CD2 4.02Å; W424-F513 AromaticContact CG-CE2 3.7Å; W424-F513 HydrophobicContact CG-CE2 3.7Å; Q425-F513 HydrophobicContact CG-CB 4.17Å; S509-F513 PolarHBondContact O-N 3.25Å; F510-F513 AromaticContact CD2-CD1 3.8Å; F510-F513 HydrophobicContact CD2-CD1 3.8Å; F510-F513 HydrophobicContact CD2-CE1 4.43Å; F510-F513 AromaticContact CE2-CD1 3.53Å; F510-F513 HydrophobicContact CE2-CD1 3.53Å; F510-F513 AromaticContact CE2-CE1 3.73Å; F510-F513 HydrophobicContact CE2-CE1 3.73Å; F510-F513 HydrophobicContact CZ-CD1 4.1Å; F510-F513 HydrophobicContact CZ-CE1 4.18Å; F510-F513 WeakPolarHBondContact O-CB 3.24Å; F510-F513 PolarHBondContact O-N 3.36Å; F510-F513 VanDerWaalsContact O-N 3.12Å; K511-F513 VanDerWaalsContact C-N 3.27Å; K511-F513 PolarHBondContact O-N 3.47Å; F513-I517 HydrophobicContact CD2-CB 3.82Å; F513-I517 HydrophobicContact CD2-CG1 4.18Å; F513-I517 HydrophobicContact CD2-CG2 4.17Å; F513-I517 HydrophobicContact CE2-CB 4Å; F513-I517 HydrophobicContact CE2-CG2 3.84Å; F513-I517 WeakPolarHBondContact O-CB 3.46Å; F513-I517 PolarHBondContact O-N 2.72Å; F513-A518 HydrophobicContact CE1-CB 4.16Å; F513-A518 HydrophobicContact CZ-CB 4.14Å; F513-A518 PolarHBondContact O-N 3.31Å |
| 514 | M | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -33.8 | 176.4 | -74 | -60.3 | -54.3 | 0 | 0 | 113.2 | W356 W358 Y476 F510 K511 W512 A518 Y519 I521 T522 | W356-M514 HydrophobicContact CZ2-SD 3.85Å; W358-M514 HydrophobicContact CH2-CE 3.74Å; W358-M514 HydrophobicContact CH2-SD 4.23Å; W358-M514 HydrophobicContact CZ2-CE 4.09Å; Y476-M514 HydrophobicContact CD1-CG 4.42Å; Y476-M514 HydrophobicContact CE1-CB 4.44Å; Y476-M514 HydrophobicContact CE1-CG 3.98Å; F510-M514 HydrophobicContact CD1-CG 3.75Å; F510-M514 HydrophobicContact CE1-CG 3.51Å; F510-M514 HydrophobicContact CE1-SD 3.81Å; F510-M514 HydrophobicContact CZ-CG 4.16Å; F510-M514 HydrophobicContact CZ-SD 4.01Å; F510-M514 WeakPolarHBondContact O-CG 3.36Å; F510-M514 PolarHBondContact O-N 2.82Å; K511-M514 PolarHBondContact O-N 2.72Å; W512-M514 PolarHBondContact O-N 2.68Å; M514-A518 CarbonylContact O-C 3.21Å; M514-A518 HydrophobicContact SD-CB 4.07Å; M514-Y519 WeakPolarHBondContact O-CA 3.24Å; M514-Y519 PolarHBondContact O-N 2.81Å; M514-I521 HydrophobicContact CE-CB 4.11Å; M514-I521 HydrophobicContact CE-CG2 4.36Å; M514-T522 HydrophobicContact CE-CG2 4.04Å |
| 515 | E | 98.4 | Very high | 97.7 | Very high | 122 Ų | 122 | 50.2 Ų | 50.2 | 57% | 0.57 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -86.8 | -34.5 | -178 | -69.1 | 175.1 | 171.9 | 0 | 0 | 113.2 | K511 W512 | K511-E515 WeakPolarHBondContact CE-OE1 3.37Å; K511-E515 HydrophobicContact CG-CG 4.48Å; K511-E515 IonicContact NZ-OE1 3.83Å; K511-E515 WeakPolarHBondContact O-CG 3.34Å; K511-E515 PolarHBondContact O-N 2.94Å; W512-E515 PolarHBondContact O-N 3.3Å |
| 516 | E | 98.4 | Very high | 97.5 | Very high | 92 Ų | 92 | 51.2 Ų | 51.2 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -95.4 | -40.5 | -174.5 | 176.6 | 55.9 | -143.7 | 0 | 0 | 113.1 | R383 W512 | R383-E516 IonicContact NH1-OE1 3.52Å; W512-E516 HydrophobicContact CZ2-CB 4.32Å; W512-E516 HydrophobicContact CZ2-CG 3.94Å; W512-E516 VanDerWaalsContact O-CB 3.24Å; W512-E516 WeakPolarHBondContact O-CB 3.46Å; W512-E516 PolarHBondContact O-N 2.89Å |
| 517 | I | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -43.7 | -171.8 | -55.4 | -59 | 0 | 0 | 0 | 111.4 | R353 W424 W512 F513 | R353-I517 PolarHBondContact NH2-O 2.92Å; W424-I517 HydrophobicContact CD2-CD1 4.41Å; W424-I517 HydrophobicContact CD2-CG1 4.14Å; W424-I517 HydrophobicContact CD2-CG2 3.81Å; W424-I517 HydrophobicContact CE3-CD1 3.75Å; W424-I517 HydrophobicContact CE3-CG1 3.86Å; W424-I517 HydrophobicContact CE3-CG2 4.23Å; W424-I517 HydrophobicContact CG-CG2 4.26Å; W424-I517 HydrophobicContact CH2-CD1 4.15Å; W424-I517 HydrophobicContact CH2-CG2 4.35Å; W424-I517 HydrophobicContact CZ2-CG2 3.89Å; W424-I517 HydrophobicContact CZ3-CD1 3.61Å; W424-I517 HydrophobicContact CZ3-CG1 4.23Å; W424-I517 HydrophobicContact CZ3-CG2 4.49Å; W512-I517 HydrophobicContact CH2-CD1 4.44Å; W512-I517 HydrophobicContact CH2-CG1 3.94Å; W512-I517 HydrophobicContact CZ2-CG1 4.33Å; W512-I517 HydrophobicContact CZ3-CG1 4.39Å; F513-I517 HydrophobicContact CD2-CB 3.82Å; F513-I517 HydrophobicContact CD2-CG1 4.18Å; F513-I517 HydrophobicContact CD2-CG2 4.17Å; F513-I517 HydrophobicContact CE2-CB 4Å; F513-I517 HydrophobicContact CE2-CG2 3.84Å; F513-I517 WeakPolarHBondContact O-CB 3.46Å; F513-I517 PolarHBondContact O-N 2.72Å |
| 518 | A | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -111.1 | 30.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | W356 P385 F513 M514 D520 I521 | W356-A518 HydrophobicContact CH2-CB 4.1Å; P385-A518 HydrophobicContact CB-CB 3.84Å; P385-A518 HydrophobicContact CG-CB 4Å; F513-A518 HydrophobicContact CE1-CB 4.16Å; F513-A518 HydrophobicContact CZ-CB 4.14Å; F513-A518 PolarHBondContact O-N 3.31Å; M514-A518 CarbonylContact O-C 3.21Å; M514-A518 HydrophobicContact SD-CB 4.07Å; A518-D520 PolarHBondContact O-N 2.95Å; A518-D520 VanDerWaalsContact O-N 3.11Å; A518-I521 HydrophobicContact CB-CD1 3.71Å; A518-I521 HydrophobicContact CB-CG1 4.11Å; A518-I521 WeakPolarHBondContact O-CB 3.43Å; A518-I521 PolarHBondContact O-N 2.77Å; A518-I521 VanDerWaalsContact O-N 3.11Å |
| 519 | Y | 98.3 | Very high | 97.1 | Very high | 45 Ų | 45 | 46.5 Ų | 46.5 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.8 | -172.9 | 53.2 | -99.3 | 0 | 0 | 0 | 115.2 | T368 Q370 M514 | T368-Y519 HydrophobicContact CG2-CE2 3.94Å; T368-Y519 PolarHBondContact OG1-OH 2.87Å; Q370-Y519 HydrophobicContact CB-CE2 4.46Å; Q370-Y519 WeakPolarHBondContact CB-OH 3.45Å; Q370-Y519 HydrophobicContact CG-CE2 4.05Å; M514-Y519 WeakPolarHBondContact O-CA 3.24Å; M514-Y519 PolarHBondContact O-N 2.81Å |
| 520 | D | 97.7 | Very high | 96.9 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.059 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -14.3 | -178.6 | 57.7 | -33.6 | 0 | 0 | 0 | 113.3 | R353 V365 T368 A518 T522 S523 H524 | R353-D520 IonicContact CZ-OD1 3.71Å; R353-D520 IonicContact CZ-OD2 3.05Å; R353-D520 IonicContact NH1-OD1 2.67Å; R353-D520 PolarHBondContact NH1-OD1 3.33Å; R353-D520 IonicContact NH1-OD2 3.92Å; R353-D520 PolarHBondContact NH1-OD2 2.91Å; V365-D520 WeakPolarHBondContact CG2-OD2 3.21Å; T368-D520 HydrophobicContact CG2-CB 3.79Å; T368-D520 WeakPolarHBondContact CG2-OD2 3.43Å; A518-D520 PolarHBondContact O-N 2.95Å; A518-D520 VanDerWaalsContact O-N 3.11Å; D520-T522 PolarHBondContact O-N 3.12Å; D520-S523 WeakPolarHBondContact O-CB 3.26Å; D520-S523 PolarHBondContact O-N 3.25Å; D520-S523 VanDerWaalsContact O-N 3.12Å; D520-H524 PolarHBondContact O-CD2 2.85Å; D520-H524 PolarHBondContact O-N 2.7Å |
| 521 | I | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -48.4 | -177.1 | -67.5 | -172.5 | 0 | 0 | 0 | 111 | A355 W356 W358 P385 M514 A518 S523 H524 Y525 | A355-I521 HydrophobicContact CB-CD1 4.3Å; A355-I521 HydrophobicContact CB-CG1 4.21Å; W356-I521 HydrophobicContact CD2-CD1 3.91Å; W356-I521 HydrophobicContact CE3-CD1 3.76Å; W356-I521 HydrophobicContact CH2-CD1 3.15Å; W356-I521 HydrophobicContact CZ2-CD1 3.41Å; W356-I521 VanDerWaalsContact CZ2-CD1 3.41Å; W356-I521 HydrophobicContact CZ3-CD1 3.4Å; W358-I521 HydrophobicContact CZ2-CG2 4.42Å; P385-I521 HydrophobicContact CB-CD1 4.28Å; M514-I521 HydrophobicContact CE-CB 4.11Å; M514-I521 HydrophobicContact CE-CG2 4.36Å; A518-I521 HydrophobicContact CB-CD1 3.71Å; A518-I521 HydrophobicContact CB-CG1 4.11Å; A518-I521 WeakPolarHBondContact O-CB 3.43Å; A518-I521 PolarHBondContact O-N 2.77Å; A518-I521 VanDerWaalsContact O-N 3.11Å; I521-S523 PolarHBondContact O-N 3.32Å; I521-H524 PolarHBondContact O-N 3.47Å; I521-Y525 PolarHBondContact O-N 3.36Å |
| 522 | T | 96.3 | Very high | 96.7 | Very high | 56 Ų | 56 | 51.5 Ų | 51.5 | 34% | 0.344 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.5 | -18.8 | -178.8 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | W358 M514 D520 Y525 P526 L527 | W358-T522 HydrophobicContact CZ2-CG2 3.79Å; M514-T522 HydrophobicContact CE-CG2 4.04Å; D520-T522 PolarHBondContact O-N 3.12Å; T522-Y525 WeakPolarHBondContact CA-O 3.16Å; T522-P526 VanDerWaalsContact O-CA 3.3Å; T522-P526 WeakPolarHBondContact O-CA 3.44Å; T522-L527 HydrophobicContact CG2-CD2 4.12Å; T522-L527 HydrophobicContact CG2-CG 4.05Å |
| 523 | S | 94.8 | Very high | 96.6 | Very high | 95 Ų | 95 | 48.9 Ų | 48.9 | 66% | 0.664 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -74.4 | -31.8 | 174.2 | -172.1 | 0 | 0 | 0 | 0 | 112.1 | D520 I521 | D520-S523 WeakPolarHBondContact O-CB 3.26Å; D520-S523 PolarHBondContact O-N 3.25Å; D520-S523 VanDerWaalsContact O-N 3.12Å; I521-S523 PolarHBondContact O-N 3.32Å |
| 524 | H | 92.8 | Very high | 96.6 | Very high | 90 Ų | 90 | 50 Ų | 50 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -96.7 | -38.1 | -179.6 | -70.8 | -76.5 | 0 | 0 | 0 | 112.4 | V365 D520 I521 | V365-H524 HydrophobicContact CG1-CB 3.82Å; D520-H524 PolarHBondContact O-CD2 2.85Å; D520-H524 PolarHBondContact O-N 2.7Å; I521-H524 PolarHBondContact O-N 3.47Å |
| 525 | Y | 94.6 | Very high | 96.5 | Very high | 63 Ų | 63 | 49.6 Ų | 49.6 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -125.7 | 85 | 179 | -57.2 | -69.1 | 0 | 0 | 0 | 108.1 | D357 W358 K363 V365 I521 T522 | D357-Y525 HydrophobicContact CB-CD1 4.01Å; D357-Y525 HydrophobicContact CB-CG 4.16Å; W358-Y525 PolarHBondContact NE1-O 2.99Å; K363-Y525 HydrophobicContact CB-CD2 4.39Å; K363-Y525 HydrophobicContact CB-CE2 3.49Å; K363-Y525 VanDerWaalsContact CB-CE2 3.49Å; K363-Y525 HydrophobicContact CD-CE1 4.01Å; K363-Y525 HydrophobicContact CD-CE2 4.4Å; K363-Y525 WeakPolarHBondContact CD-OH 3.47Å; K363-Y525 HydrophobicContact CG-CD2 4.36Å; K363-Y525 HydrophobicContact CG-CE1 3.95Å; K363-Y525 HydrophobicContact CG-CE2 3.66Å; K363-Y525 VanDerWaalsContact CG-CZ 3.44Å; V365-Y525 HydrophobicContact CG1-CE2 3.95Å; I521-Y525 PolarHBondContact O-N 3.36Å; T522-Y525 WeakPolarHBondContact CA-O 3.16Å |
| 526 | P | 94.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 43.9 Ų | 43.9 | 36% | 0.357 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -63.6 | 157.3 | -176 | -24.2 | 35.6 | 0 | 0 | 0 | 113.5 | W358 T522 L602 | W358-P526 PolarHBondContact NE1-O 3.19Å; T522-P526 VanDerWaalsContact O-CA 3.3Å; T522-P526 WeakPolarHBondContact O-CA 3.44Å; P526-L602 HydrophobicContact CB-CD1 3.08Å; P526-L602 HydrophobicContact CB-CG 3.72Å; P526-L602 HydrophobicContact CG-CD1 3.69Å; P526-L602 HydrophobicContact CG-CG 4.15Å |
| 527 | L | 95.3 | Very high | 96.4 | Very high | 60 Ų | 60 | 39.5 Ų | 39.5 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -61.3 | 126.3 | 178.6 | -62.7 | 170.9 | 0 | 0 | 0 | 110.4 | W358 Y476 Y479 T522 | W358-L527 HydrophobicContact CD2-CD2 4.12Å; W358-L527 HydrophobicContact CE3-CD2 4.4Å; W358-L527 HydrophobicContact CH2-CD2 3.58Å; W358-L527 HydrophobicContact CZ2-CD2 3.24Å; W358-L527 HydrophobicContact CZ2-CG 4.33Å; W358-L527 HydrophobicContact CZ3-CD2 4.15Å; Y476-L527 HydrophobicContact CD1-CD2 4.39Å; Y476-L527 HydrophobicContact CE1-CD2 4.33Å; Y479-L527 HydrophobicContact CD1-CB 4.11Å; Y479-L527 HydrophobicContact CD1-CD2 4.13Å; Y479-L527 HydrophobicContact CD2-CD2 3.7Å; Y479-L527 HydrophobicContact CE1-CB 3.88Å; Y479-L527 HydrophobicContact CE1-CD1 4.32Å; Y479-L527 HydrophobicContact CE1-CD2 4.1Å; Y479-L527 HydrophobicContact CE1-CG 4.33Å; Y479-L527 HydrophobicContact CE2-CD1 4.33Å; Y479-L527 HydrophobicContact CE2-CD2 3.67Å; Y479-L527 HydrophobicContact CG-CD2 3.94Å; T522-L527 HydrophobicContact CG2-CD2 4.12Å; T522-L527 HydrophobicContact CG2-CG 4.05Å |
| 528 | P | 94.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 40.7 Ų | 40.7 | 16% | 0.156 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -69 | 141.5 | -179.9 | 28.1 | -35.2 | 0 | 0 | 0 | 110.6 | W358 Y479 A482 | W358-P528 HydrophobicContact CB-CG 3.93Å; W358-P528 VanDerWaalsContact CD1-CD 3.43Å; W358-P528 VanDerWaalsContact CG-CD 3.49Å; W358-P528 HydrophobicContact CG-CG 4.18Å; Y479-P528 HydrophobicContact CD1-CG 4.09Å; Y479-P528 HydrophobicContact CG-CG 4.41Å; Y479-P528 WeakPolarHBondContact O-CG 3.41Å; A482-P528 HydrophobicContact CB-CG 4.4Å |
| 529 | P | 95.4 | Very high | 96.3 | Very high | 32 Ų | 32 | 40.7 Ų | 40.7 | 21% | 0.208 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 157 | 168 | -17.3 | 30.5 | 0 | 0 | 0 | 110.9 | N574 A576 L602 | P529-N574 HydrophobicContact CB-CB 4.22Å; P529-A576 HydrophobicContact CB-CB 4.13Å; P529-A576 HydrophobicContact CG-CB 3.7Å; P529-L602 HydrophobicContact CG-CD2 4.13Å |
| 530 | K | 96.1 | Very high | 96.3 | Very high | 133 Ų | 133 | 40.7 Ų | 40.7 | 58% | 0.578 | 22% | 0.216 | S | C | * | . | P | Polyproline II helix | trans | -64.7 | 154.7 | 174.3 | -66.2 | -178.6 | 178.3 | -176.1 | 0 | 111 | N574 E575 | K530-N574 CarbonylContact O-C 3.42Å; K530-N574 WeakPolarHBondContact O-CA 3.25Å; K530-N574 WeakPolarHBondContact O-CB 3.07Å; K530-E575 HydrophobicContact CB-CG 4.28Å; K530-E575 PolarHBondContact O-N 3.44Å |
| 531 | N | 96.5 | Very high | 96.1 | Very high | 35 Ų | 35 | 48 Ų | 48 | 19% | 0.187 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 138.4 | 174.6 | -69.1 | -31.8 | 0 | 0 | 0 | 110.9 | A482 | A482-N531 WeakPolarHBondContact CA-ND2 3.13Å; A482-N531 PolarHBondContact O-ND2 3.28Å; A482-N531 PolarHBondContact O-OD1 3.17Å |
| 532 | V | 96.9 | Very high | 96.1 | Very high | 86 Ų | 86 | 49.4 Ų | 49.4 | 52% | 0.521 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -48.2 | 166.3 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | I573 E575 | V532-I573 HydrophobicContact CB-CG2 4.23Å; V532-I573 PolarHBondContact N-O 2.86Å; V532-E575 HydrophobicContact CG2-CG 3.98Å |
| 533 | D | 96.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 166 | 173.9 | -147.1 | -24 | 0 | 0 | 0 | 109.5 | I573 Y610 K612 M651 N653 | D533-I573 HydrophobicContact CB-CG2 4.1Å; D533-I573 PolarHBondContact N-O 3Å; D533-I573 WeakPolarHBondContact O-CG2 3.4Å; D533-I573 PolarHBondContact O-N 3.27Å; D533-Y610 HydrophobicContact CB-CD1 4.22Å; D533-Y610 HydrophobicContact CB-CE1 4.33Å; D533-K612 IonicContact OD2-NZ 2.85Å; D533-K612 PolarHBondContact OD2-NZ 3.42Å; D533-M651 HydrophobicContact CB-SD 3.89Å; D533-N653 PolarHBondContact OD1-ND2 3.35Å |
| 534 | W | 97.1 | Very high | 96.2 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 9% | 0.087 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 159.9 | -178.6 | 69.1 | -86.1 | 0 | 0 | 0 | 112.1 | P485 E486 L570 F571 R572 N653 I654 | P485-W534 HydrophobicContact CB-CB 4.08Å; P485-W534 HydrophobicContact CB-CD2 3.47Å; P485-W534 VanDerWaalsContact CB-CD2 3.47Å; P485-W534 HydrophobicContact CB-CE3 4.03Å; P485-W534 HydrophobicContact CB-CG 3.46Å; P485-W534 VanDerWaalsContact CB-CG 3.46Å; P485-W534 HydrophobicContact CB-CZ2 4.38Å; P485-W534 HydrophobicContact CG-CB 3.63Å; P485-W534 HydrophobicContact CG-CD2 3.65Å; P485-W534 HydrophobicContact CG-CE3 3.86Å; P485-W534 HydrophobicContact CG-CG 3.54Å; P485-W534 WeakPolarHBondContact O-CZ2 3.48Å; E486-W534 HydrophobicContact CB-CZ3 4.08Å; W534-L570 HydrophobicContact CE3-CD1 3.97Å; W534-L570 HydrophobicContact CZ3-CD1 4.04Å; W534-F571 CarbonylContact C-O 3.58Å; W534-F571 WeakPolarHBondContact CA-O 3.11Å; W534-R572 HydrophobicContact CB-CB 3.98Å; W534-N653 HydrophobicContact CD2-CB 4.43Å; W534-N653 HydrophobicContact CH2-CB 3.91Å; W534-N653 HydrophobicContact CZ2-CB 3.71Å; W534-N653 HydrophobicContact CZ3-CB 4.35Å; W534-N653 PolarHBondContact NE1-ND2 3.09Å; W534-N653 PolarHBondContact O-ND2 3.26Å; W534-I654 VanDerWaalsContact CH2-O 3.31Å; W534-I654 WeakPolarHBondContact CH2-O 3.2Å; W534-I654 WeakPolarHBondContact CZ3-O 3.44Å |
| 535 | G | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.4 | -159.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F571 N652 | G535-F571 PolarHBondContact N-O 2.61Å; G535-F571 PolarHBondContact O-N 3.02Å; G535-N652 CarbonylContact C-O 3.59Å; G535-N652 WeakPolarHBondContact CA-O 3.4Å |
| 536 | E | 96.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 140.8 | 167.5 | 48.1 | 176.6 | -145.1 | 0 | 0 | 110.5 | R538 R564 Q569 M651 N652 I654 | E536-R538 IonicContact OE1-CZ 3.14Å; E536-R538 IonicContact OE1-NE 2.73Å; E536-R538 PolarHBondContact OE1-NE 3.24Å; E536-R538 IonicContact OE1-NH2 2.71Å; E536-R538 PolarHBondContact OE1-NH2 3.45Å; E536-R538 IonicContact OE2-NH2 3.24Å; E536-R538 PolarHBondContact OE2-NH2 3.27Å; E536-R564 IonicContact OE1-NE 4Å; E536-R564 WeakPolarHBondContact OE2-CG 3.39Å; E536-Q569 VanDerWaalsContact CA-O 3.28Å; E536-Q569 WeakPolarHBondContact CA-O 3.41Å; E536-M651 WeakPolarHBondContact O-CA 2.9Å; E536-N652 HydrophobicContact CG-CB 4.01Å; E536-N652 PolarHBondContact N-O 2.92Å; E536-N652 PolarHBondContact O-N 3.37Å; E536-N652 VanDerWaalsContact O-N 3.09Å; E536-I654 HydrophobicContact CB-CD1 3.93Å; E536-I654 HydrophobicContact CB-CG1 4.38Å; E536-I654 HydrophobicContact CG-CD1 4.17Å; E536-I654 HydrophobicContact CG-CG1 4.12Å |
| 537 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 93.3 | 168.1 | -54.3 | 172.3 | 0 | 0 | 0 | 107.1 | C545 I546 F571 L579 F617 W649 M651 | I537-C545 WeakPolarHBondContact O-CA 3.31Å; I537-I546 HydrophobicContact CB-CB 4.29Å; I537-I546 HydrophobicContact CB-CD1 4.04Å; I537-I546 HydrophobicContact CB-CG1 4.19Å; I537-I546 HydrophobicContact CD1-CD1 4.32Å; I537-I546 HydrophobicContact CG2-CD1 3.65Å; I537-I546 HydrophobicContact CG2-CG1 4.13Å; I537-I546 PolarHBondContact O-N 2.76Å; I537-F571 HydrophobicContact CD1-CB 3.72Å; I537-F571 HydrophobicContact CD1-CD2 3.91Å; I537-F571 HydrophobicContact CD1-CG 3.78Å; I537-F571 HydrophobicContact CG1-CB 4.09Å; I537-F571 HydrophobicContact CG1-CD2 4.07Å; I537-F571 HydrophobicContact CG1-CG 4.3Å; I537-L579 HydrophobicContact CD1-CD1 3.95Å; I537-L579 HydrophobicContact CD1-CD2 4.08Å; I537-L579 HydrophobicContact CD1-CG 4.4Å; I537-F617 HydrophobicContact CD1-CZ 4.39Å; I537-F617 HydrophobicContact CG1-CZ 4.39Å; I537-F617 HydrophobicContact CG2-CD2 4.41Å; I537-F617 HydrophobicContact CG2-CE2 3.85Å; I537-F617 HydrophobicContact CG2-CZ 4.35Å; I537-W649 HydrophobicContact CG2-CB 4.3Å; I537-W649 HydrophobicContact CG2-CD2 4.23Å; I537-W649 HydrophobicContact CG2-CE3 3.79Å; I537-W649 HydrophobicContact CG2-CG 4.47Å; I537-W649 HydrophobicContact CG2-CZ3 4.44Å; I537-M651 HydrophobicContact CG1-CE 4.13Å |
| 538 | R | 98.2 | Very high | 96.8 | Very high | 28 Ų | 28 | 36.5 Ų | 36.5 | 11% | 0.106 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 139.3 | -175.5 | 176.9 | -175.7 | -69 | -91.7 | -5.3 | 110.4 | E536 F540 T542 C562 W649 E650 | E536-R538 IonicContact OE1-CZ 3.14Å; E536-R538 IonicContact OE1-NE 2.73Å; E536-R538 PolarHBondContact OE1-NE 3.24Å; E536-R538 IonicContact OE1-NH2 2.71Å; E536-R538 PolarHBondContact OE1-NH2 3.45Å; E536-R538 IonicContact OE2-NH2 3.24Å; E536-R538 PolarHBondContact OE2-NH2 3.27Å; R538-F540 PolarHBondContact O-N 2.8Å; R538-T542 WeakPolarHBondContact CD-O 2.96Å; R538-T542 PolarHBondContact NH1-O 2.78Å; R538-C562 VanDerWaalsContact CZ-SG 3.5Å; R538-W649 CarbonylContact O-C 3.55Å; R538-W649 VanDerWaalsContact O-CA 3.3Å; R538-W649 WeakPolarHBondContact O-CA 3.49Å; R538-E650 PolarHBondContact N-O 3.18Å; R538-E650 PolarHBondContact O-N 3.11Å |
| 539 | G | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 128 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | E541 T542 Y544 R628 | G539-E541 PolarHBondContact O-N 3.47Å; G539-T542 PolarHBondContact O-N 2.87Å; G539-T542 PolarHBondContact O-OG1 2.86Å; G539-T542 VanDerWaalsContact O-OG1 3.11Å; G539-Y544 PolarHBondContact N-O 2.88Å; G539-R628 VanDerWaalsContact CA-CZ 3.49Å |
| 540 | F | 96.9 | Very high | 96.7 | Very high | 45 Ų | 45 | 39.8 Ų | 39.8 | 20% | 0.197 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 126.8 | -175.8 | -178.1 | -100.1 | 0 | 0 | 0 | 111.3 | R538 T542 H615 K648 E650 | R538-F540 PolarHBondContact O-N 2.8Å; F540-T542 WeakPolarHBondContact O-CG2 3.28Å; F540-T542 PolarHBondContact O-N 3.39Å; F540-H615 HydrophobicContact CD2-CB 4.24Å; F540-H615 AromaticContact CD2-CD2 3.76Å; F540-H615 AromaticContact CD2-CE1 3.79Å; F540-H615 AromaticContact CD2-CG 3.6Å; F540-H615 AromaticContact CD2-ND1 3.62Å; F540-H615 AromaticContact CD2-NE2 3.89Å; F540-H615 AromaticContact CE2-CD2 3.57Å; F540-H615 AromaticContact CE2-CE1 3.56Å; F540-H615 AromaticContact CE2-CG 3.89Å; F540-H615 AromaticContact CE2-ND1 3.88Å; F540-H615 AromaticContact CE2-NE2 3.36Å; F540-H615 WeakPolarHBondContact CE2-NE2 2.83Å; F540-K648 HydrophobicContact CB-CB 3.47Å; F540-K648 VanDerWaalsContact CB-CB 3.47Å; F540-K648 WeakPolarHBondContact CB-O 3.44Å; F540-K648 HydrophobicContact CD1-CB 4.3Å; F540-K648 HydrophobicContact CD1-CD 4.18Å; F540-K648 HydrophobicContact CG-CB 4.01Å; F540-K648 PolarHBondContact N-O 2.79Å; F540-E650 WeakPolarHBondContact CA-OE1 3.46Å; F540-E650 HydrophobicContact CB-CG 4.42Å; F540-E650 HydrophobicContact CD2-CG 3.63Å; F540-E650 WeakPolarHBondContact CD2-OE1 3.21Å; F540-E650 HydrophobicContact CE2-CG 4.41Å; F540-E650 HydrophobicContact CG-CG 4.5Å |
| 541 | E | 94.8 | Very high | 96.6 | Very high | 163 Ų | 163 | 36.3 Ų | 36.3 | 76% | 0.762 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 27.5 | -174.8 | -63.5 | 176.2 | -173 | 0 | 0 | 115.1 | G539 E650 | G539-E541 PolarHBondContact O-N 3.47Å; E541-E650 PolarHBondContact N-OE1 2.77Å |
| 542 | T | 96.2 | Very high | 96.5 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 19% | 0.19 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -126.4 | 172.5 | 176.9 | 87.4 | 0 | 0 | 0 | 0 | 114 | R538 G539 F540 Y544 E630 | R538-T542 WeakPolarHBondContact CD-O 2.96Å; R538-T542 PolarHBondContact NH1-O 2.78Å; G539-T542 PolarHBondContact O-N 2.87Å; G539-T542 PolarHBondContact O-OG1 2.86Å; G539-T542 VanDerWaalsContact O-OG1 3.11Å; F540-T542 WeakPolarHBondContact O-CG2 3.28Å; F540-T542 PolarHBondContact O-N 3.39Å; T542-Y544 PolarHBondContact OG1-N 2.74Å; T542-E630 WeakPolarHBondContact CG2-OE1 3.2Å |
| 543 | A | 96 | Very high | 96.3 | Very high | 65 Ų | 65 | 39.3 Ų | 39.3 | 54% | 0.537 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -101.6 | 18 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C562 | A543-C562 PolarHBondContact O-N 2.76Å; A543-C562 PolarHBondContact O-SG 3.28Å; A543-C562 VanDerWaalsContact O-SG 3.4Å |
| 544 | Y | 97.6 | Very high | 96.1 | Very high | 67 Ų | 67 | 40 Ų | 40 | 26% | 0.263 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.3 | -179.9 | -75.4 | -73.4 | 0 | 0 | 0 | 111.8 | G539 T542 L559 G560 P561 E630 H633 | G539-Y544 PolarHBondContact N-O 2.88Å; T542-Y544 PolarHBondContact OG1-N 2.74Å; Y544-L559 HydrophobicContact CD1-CD2 4.1Å; Y544-L559 HydrophobicContact CD1-CG 4.15Å; Y544-L559 HydrophobicContact CG-CD2 3.94Å; Y544-L559 HydrophobicContact CG-CG 4.24Å; Y544-G560 CarbonylContact C-O 3.56Å; Y544-G560 WeakPolarHBondContact CA-O 3.12Å; Y544-P561 HydrophobicContact CE1-CG 4.33Å; Y544-E630 HydrophobicContact CD2-CB 4.35Å; Y544-E630 HydrophobicContact CD2-CG 4.2Å; Y544-E630 HydrophobicContact CE2-CB 4.33Å; Y544-H633 AromaticContact CE1-CE1 3.46Å; Y544-H633 VanDerWaalsContact CE1-CE1 3.46Å; Y544-H633 WeakPolarHBondContact CE1-CE1 3.47Å; Y544-H633 AromaticContact CE1-ND1 3.65Å; Y544-H633 AromaticContact CZ-CE1 3.81Å |
| 545 | C | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 150 | -177.5 | -74.4 | 0 | 0 | 0 | 0 | 110 | I537 D547 L559 G560 C562 | I537-C545 WeakPolarHBondContact O-CA 3.31Å; C545-D547 PolarHBondContact O-N 3.48Å; C545-L559 WeakPolarHBondContact O-CA 3.48Å; C545-G560 PolarHBondContact N-O 3.18Å; C545-G560 PolarHBondContact O-N 2.83Å; C545-C562 HydrophobicContact CB-CB 3.99Å; C545-C562 WeakPolarHBondContact CB-SG 3.46Å; C545-C562 PolarHBondContact N-SG 2.75Å; C545-C562 WeakPolarHBondContact SG-CB 3.25Å; C545-C562 CovalentContact SG-SG 2.03Å; C545-C562 PolarHBondContact SG-SG 3.43Å |
| 546 | I | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 135 | 166.4 | -57.7 | -177.1 | 0 | 0 | 0 | 107.9 | I537 V557 E558 F571 L626 V635 W649 | I537-I546 HydrophobicContact CB-CB 4.29Å; I537-I546 HydrophobicContact CB-CD1 4.04Å; I537-I546 HydrophobicContact CB-CG1 4.19Å; I537-I546 HydrophobicContact CD1-CD1 4.32Å; I537-I546 HydrophobicContact CG2-CD1 3.65Å; I537-I546 HydrophobicContact CG2-CG1 4.13Å; I537-I546 PolarHBondContact O-N 2.76Å; I546-V557 HydrophobicContact CG2-CB 4.14Å; I546-V557 HydrophobicContact CG2-CG2 4.1Å; I546-E558 WeakPolarHBondContact CA-O 3.24Å; I546-F571 HydrophobicContact CB-CE2 4.17Å; I546-F571 HydrophobicContact CG2-CE2 3.99Å; I546-F571 HydrophobicContact CG2-CZ 3.87Å; I546-F571 WeakPolarHBondContact O-CE2 3.17Å; I546-L626 HydrophobicContact CD1-CD2 3.69Å; I546-V635 HydrophobicContact CD1-CG1 4.01Å; I546-V635 HydrophobicContact CG1-CG1 4.41Å; I546-V635 HydrophobicContact CG1-CG2 4.06Å; I546-V635 HydrophobicContact CG2-CG2 4.5Å; I546-W649 HydrophobicContact CD1-CE3 4.49Å; I546-W649 HydrophobicContact CD1-CH2 4.1Å; I546-W649 HydrophobicContact CD1-CZ3 4.07Å; I546-W649 HydrophobicContact CG1-CE3 4.48Å; I546-W649 HydrophobicContact CG1-CH2 3.94Å; I546-W649 HydrophobicContact CG1-CZ3 3.74Å |
| 547 | D | 97.4 | Very high | 96 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 8% | 0.075 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 132.3 | -179.1 | -164.7 | -45.8 | 0 | 0 | 0 | 108.8 | C545 M549 E558 N568 Q569 | C545-D547 PolarHBondContact O-N 3.48Å; D547-M549 HydrophobicContact CB-CE 4.01Å; D547-M549 HydrophobicContact CB-SD 4.13Å; D547-M549 PolarHBondContact O-N 2.94Å; D547-M549 WeakPolarHBondContact OD1-CA 3.46Å; D547-M549 PolarHBondContact OD1-N 3.32Å; D547-E558 PolarHBondContact N-O 3.1Å; D547-E558 PolarHBondContact O-N 3.3Å; D547-N568 VanDerWaalsContact OD1-CB 3.26Å; D547-N568 WeakPolarHBondContact OD1-CB 3.41Å; D547-Q569 HydrophobicContact CB-CG 3.86Å; D547-Q569 WeakPolarHBondContact OD2-CG 3.29Å; D547-Q569 PolarHBondContact OD2-NE2 3.42Å |
| 548 | S | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -72.3 | -15.1 | 176.3 | 68 | 0 | 0 | 0 | 0 | 113.1 | G550 K551 N568 Q581 | S548-G550 PolarHBondContact O-N 3.19Å; S548-G550 VanDerWaalsContact O-N 3.13Å; S548-G550 PolarHBondContact OG-N 2.65Å; S548-K551 WeakPolarHBondContact O-CB 3.28Å; S548-K551 VanDerWaalsContact O-CG 3.3Å; S548-K551 WeakPolarHBondContact O-CG 3.42Å; S548-K551 PolarHBondContact O-N 2.74Å; S548-N568 PolarHBondContact N-O 3.31Å; S548-N568 WeakPolarHBondContact OG-CB 3.47Å; S548-N568 PolarHBondContact OG-O 2.9Å; S548-Q581 PolarHBondContact OG-OE1 3.32Å | ||
| 549 | M | 94.8 | Very high | 95.9 | Very high | 82 Ų | 82 | 45.5 Ų | 45.5 | 40% | 0.404 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 23 | -171.8 | -54 | -63.9 | -176 | 0 | 0 | 112.3 | D547 K551 E558 | D547-M549 HydrophobicContact CB-CE 4.01Å; D547-M549 HydrophobicContact CB-SD 4.13Å; D547-M549 PolarHBondContact O-N 2.94Å; D547-M549 WeakPolarHBondContact OD1-CA 3.46Å; D547-M549 PolarHBondContact OD1-N 3.32Å; M549-K551 HydrophobicContact CB-CD 4.45Å; M549-K551 HydrophobicContact CB-CG 4.31Å; M549-K551 PolarHBondContact O-N 2.93Å; M549-E558 HydrophobicContact CE-CB 3.67Å; M549-E558 HydrophobicContact CG-CB 4.04Å; M549-E558 HydrophobicContact CG-CG 4.48Å |
| 550 | G | 92.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 44% | 0.443 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 11.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S548 N568 | S548-G550 PolarHBondContact O-N 3.19Å; S548-G550 VanDerWaalsContact O-N 3.13Å; S548-G550 PolarHBondContact OG-N 2.65Å; G550-N568 PolarHBondContact N-ND2 2.84Å; G550-N568 VanDerWaalsContact N-ND2 3.12Å |
| 551 | K | 94.5 | Very high | 95.8 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 27% | 0.265 | 28% | 0.277 | S | S | . | . | trans | -72.1 | 149.7 | 177.4 | -63.2 | 172.3 | -177 | 179 | 0 | 110.7 | S548 M549 F556 E558 I597 | S548-K551 WeakPolarHBondContact O-CB 3.28Å; S548-K551 VanDerWaalsContact O-CG 3.3Å; S548-K551 WeakPolarHBondContact O-CG 3.42Å; S548-K551 PolarHBondContact O-N 2.74Å; M549-K551 HydrophobicContact CB-CD 4.45Å; M549-K551 HydrophobicContact CB-CG 4.31Å; M549-K551 PolarHBondContact O-N 2.93Å; K551-F556 WeakPolarHBondContact CD-O 3.34Å; K551-F556 WeakPolarHBondContact CE-O 3.28Å; K551-F556 PolarHBondContact NZ-O 2.89Å; K551-E558 IonicContact NZ-OE1 2.94Å; K551-E558 PolarHBondContact NZ-OE1 3.18Å; K551-I597 HydrophobicContact CB-CG2 4.3Å; K551-I597 WeakPolarHBondContact O-CG2 3.38Å | ||
| 552 | T | 93.2 | Very high | 95.9 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 46% | 0.46 | 25% | 0.25 | S | C | . | . | trans | -143.3 | 161.5 | -179.9 | 65.1 | 0 | 0 | 0 | 0 | 109.9 | G554 G555 Q584 | T552-G554 PolarHBondContact O-N 2.68Å; T552-G555 PolarHBondContact O-N 2.99Å; T552-Q584 VanDerWaalsContact CG2-NE2 3.31Å | ||
| 553 | N | 92.9 | Very high | 95.8 | Very high | 108 Ų | 108 | 43.8 Ų | 43.8 | 58% | 0.578 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 50.3 | 57.2 | 163.5 | -62.7 | -46.3 | 0 | 0 | 0 | 114.8 | I597 | N553-I597 PolarHBondContact N-O 3.39Š|
| 554 | G | 93.1 | Very high | 95.6 | Very high | 33 Ų | 33 | 48.6 Ų | 48.6 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 107.3 | -2.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T552 M596 I597 | T552-G554 PolarHBondContact O-N 2.68Å; G554-M596 WeakPolarHBondContact O-CG 3.18Å; G554-I597 PolarHBondContact N-O 3.48Å |
| 555 | G | 94.4 | Very high | 95.1 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 19% | 0.186 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 150.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T552 M596 I597 | T552-G555 PolarHBondContact O-N 2.99Å; G555-M596 CarbonylContact O-C 3.18Å; G555-M596 WeakPolarHBondContact O-CA 3.48Å; G555-M596 WeakPolarHBondContact O-CG 3.43Å; G555-I597 WeakPolarHBondContact O-CG2 3.49Å; G555-I597 PolarHBondContact O-N 3.22Å |
| 556 | F | 96.3 | Very high | 94.7 | Very high | 69 Ų | 69 | 53.1 Ų | 53.1 | 30% | 0.303 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130.4 | 175.8 | -62.2 | -66.6 | 0 | 0 | 0 | 111.7 | K551 K594 V595 M596 | K551-F556 WeakPolarHBondContact CD-O 3.34Å; K551-F556 WeakPolarHBondContact CE-O 3.28Å; K551-F556 PolarHBondContact NZ-O 2.89Å; F556-K594 HydrophobicContact CD1-CB 3.61Å; F556-K594 HydrophobicContact CD1-CD 4.06Å; F556-K594 HydrophobicContact CD2-CD 4.31Å; F556-K594 HydrophobicContact CE1-CB 3.78Å; F556-K594 HydrophobicContact CE1-CD 4.24Å; F556-K594 HydrophobicContact CE2-CD 4.49Å; F556-K594 HydrophobicContact CG-CB 4.38Å; F556-K594 HydrophobicContact CG-CD 4.09Å; F556-K594 HydrophobicContact CZ-CD 4.45Å; F556-V595 WeakPolarHBondContact CA-O 3.13Å; F556-M596 HydrophobicContact CD1-CB 4.07Å; F556-M596 HydrophobicContact CE1-CB 4.18Å |
| 557 | V | 96.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 149.9 | 173.6 | -59.2 | 0 | 0 | 0 | 0 | 110.3 | I546 L586 V595 I597 V635 | I546-V557 HydrophobicContact CG2-CB 4.14Å; I546-V557 HydrophobicContact CG2-CG2 4.1Å; V557-L586 HydrophobicContact CG1-CD1 4.24Å; V557-L586 HydrophobicContact CG1-CD2 4.2Å; V557-L586 HydrophobicContact CG1-CG 4.08Å; V557-L586 HydrophobicContact CG2-CD2 4.22Å; V557-V595 HydrophobicContact CG2-CB 3.68Å; V557-V595 HydrophobicContact CG2-CG1 3.71Å; V557-V595 PolarHBondContact N-O 2.75Å; V557-I597 HydrophobicContact CG1-CB 4.05Å; V557-I597 HydrophobicContact CG1-CG2 4.26Å; V557-V635 HydrophobicContact CG2-CB 4.35Å; V557-V635 HydrophobicContact CG2-CG1 4.29Å |
| 558 | E | 96.8 | Very high | 94.2 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 35% | 0.346 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 176 | -174.9 | -70.2 | -176 | -152.6 | 0 | 0 | 110.9 | I546 D547 M549 K551 | I546-E558 WeakPolarHBondContact CA-O 3.24Å; D547-E558 PolarHBondContact N-O 3.1Å; D547-E558 PolarHBondContact O-N 3.3Å; M549-E558 HydrophobicContact CE-CB 3.67Å; M549-E558 HydrophobicContact CG-CB 4.04Å; M549-E558 HydrophobicContact CG-CG 4.48Å; K551-E558 IonicContact NZ-OE1 2.94Å; K551-E558 PolarHBondContact NZ-OE1 3.18Å |
| 559 | L | 97.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124.6 | 175.3 | -167.2 | 77.6 | 0 | 0 | 0 | 109 | Y544 C545 R628 E630 H633 V635 W649 | Y544-L559 HydrophobicContact CD1-CD2 4.1Å; Y544-L559 HydrophobicContact CD1-CG 4.15Å; Y544-L559 HydrophobicContact CG-CD2 3.94Å; Y544-L559 HydrophobicContact CG-CG 4.24Å; C545-L559 WeakPolarHBondContact O-CA 3.48Å; L559-R628 HydrophobicContact CD1-CB 4.49Å; L559-R628 HydrophobicContact CD2-CB 4.26Å; L559-E630 HydrophobicContact CD2-CG 4.23Å; L559-H633 HydrophobicContact CB-CB 4.48Å; L559-H633 PolarHBondContact N-O 2.87Å; L559-H633 WeakPolarHBondContact O-CB 3.49Å; L559-V635 HydrophobicContact CB-CG2 4.03Å; L559-V635 HydrophobicContact CD1-CG2 4.28Å; L559-W649 HydrophobicContact CD1-CH2 4.01Å; L559-W649 HydrophobicContact CD1-CZ3 4.13Å |
| 560 | G | 96.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 162.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y544 C545 C562 | Y544-G560 CarbonylContact C-O 3.56Å; Y544-G560 WeakPolarHBondContact CA-O 3.12Å; C545-G560 PolarHBondContact N-O 3.18Å; C545-G560 PolarHBondContact O-N 2.83Å; G560-C562 PolarHBondContact O-N 3.29Å |
| 561 | P | 97.1 | Very high | 94.4 | Very high | 91 Ų | 91 | 51.7 Ų | 51.7 | 59% | 0.591 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 131.7 | 166.3 | -23.7 | 34.6 | 0 | 0 | 0 | 110.6 | Y544 H563 Q569 | Y544-P561 HydrophobicContact CE1-CG 4.33Å; P561-H563 PolarHBondContact O-N 3.15Å; P561-Q569 PolarHBondContact O-NE2 2.84Å |
| 562 | C | 96.4 | Very high | 94.6 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | trans | -65.9 | 130.1 | 178.5 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | R538 A543 C545 G560 | R538-C562 VanDerWaalsContact CZ-SG 3.5Å; A543-C562 PolarHBondContact O-N 2.76Å; A543-C562 PolarHBondContact O-SG 3.28Å; A543-C562 VanDerWaalsContact O-SG 3.4Å; C545-C562 HydrophobicContact CB-CB 3.99Å; C545-C562 WeakPolarHBondContact CB-SG 3.46Å; C545-C562 PolarHBondContact N-SG 2.75Å; C545-C562 WeakPolarHBondContact SG-CB 3.25Å; C545-C562 CovalentContact SG-SG 2.03Å; C545-C562 PolarHBondContact SG-SG 3.43Å; G560-C562 PolarHBondContact O-N 3.29Å | ||
| 563 | H | 94.1 | Very high | 94.8 | Very high | 82 Ų | 82 | 46.4 Ų | 46.4 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | trans | -114.4 | -8.2 | 177.2 | 59 | 67.3 | 0 | 0 | 0 | 113.9 | P561 M565 G566 Q569 | P561-H563 PolarHBondContact O-N 3.15Å; H563-M565 HydrophobicContact CB-CG 4.35Å; H563-M565 WeakPolarHBondContact ND1-CB 3.13Å; H563-M565 PolarHBondContact ND1-N 3.2Å; H563-M565 WeakPolarHBondContact O-CG 3.45Å; H563-M565 PolarHBondContact O-N 3.24Å; H563-M565 VanDerWaalsContact O-N 3.13Å; H563-G566 PolarHBondContact CE1-O 3.19Å; H563-Q569 PolarHBondContact CD2-NE2 3.29Å; H563-Q569 PolarHBondContact CD2-OE1 3.28Å; H563-Q569 VanDerWaalsContact CD2-OE1 3.3Å; H563-Q569 VanDerWaalsContact NE2-CG 3.32Å; H563-Q569 WeakPolarHBondContact NE2-CG 3.37Å; H563-Q569 PolarHBondContact NE2-NE2 2.51Å; H563-Q569 PolarHBondContact NE2-OE1 3.15Å | ||
| 564 | R | 92 | Very high | 94.9 | Very high | 166 Ų | 166 | 41.3 Ų | 41.3 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 54.6 | 28.1 | 179.6 | -65.3 | -175.6 | 171.9 | -172.2 | -0.7 | 114.9 | E536 I654 | E536-R564 IonicContact OE1-NE 4Å; E536-R564 WeakPolarHBondContact OE2-CG 3.39Å; R564-I654 VanDerWaalsContact O-CG2 3.31Å; R564-I654 WeakPolarHBondContact O-CG2 3.49Å |
| 565 | M | 88.6 | Confident | 95.1 | Very high | 155 Ų | 155 | 45.5 Ų | 45.5 | 76% | 0.764 | 23% | 0.234 | S | C | * | . | trans | -102.4 | 5.7 | 179.5 | -56.1 | -64.8 | -69 | 0 | 0 | 112.9 | H563 | H563-M565 HydrophobicContact CB-CG 4.35Å; H563-M565 WeakPolarHBondContact ND1-CB 3.13Å; H563-M565 PolarHBondContact ND1-N 3.2Å; H563-M565 WeakPolarHBondContact O-CG 3.45Å; H563-M565 PolarHBondContact O-N 3.24Å; H563-M565 VanDerWaalsContact O-N 3.13Å | ||
| 566 | G | 89.7 | Confident | 95.2 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | trans | 68.2 | -131.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H563 N568 Q569 | H563-G566 PolarHBondContact CE1-O 3.19Å; G566-N568 PolarHBondContact O-N 2.62Å; G566-Q569 PolarHBondContact O-N 2.99Å; G566-Q569 VanDerWaalsContact O-N 3.11Å | ||
| 567 | G | 89.9 | Confident | 95.2 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | 58.4 | -120.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q569 L570 Q581 | G567-Q569 PolarHBondContact O-N 3.31Å; G567-L570 WeakPolarHBondContact O-CB 3.19Å; G567-L570 PolarHBondContact O-N 3.35Å; G567-L570 VanDerWaalsContact O-N 3.16Å; G567-Q581 PolarHBondContact O-NE2 2.94Å |
| 568 | N | 94.5 | Very high | 95.3 | Very high | 59 Ų | 59 | 45.1 Ų | 45.1 | 32% | 0.316 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -70.4 | -14.9 | -178 | -64.4 | -14.3 | 0 | 0 | 0 | 114 | D547 S548 G550 G566 Q581 | D547-N568 VanDerWaalsContact OD1-CB 3.26Å; D547-N568 WeakPolarHBondContact OD1-CB 3.41Å; S548-N568 PolarHBondContact N-O 3.31Å; S548-N568 WeakPolarHBondContact OG-CB 3.47Å; S548-N568 PolarHBondContact OG-O 2.9Å; G550-N568 PolarHBondContact N-ND2 2.84Å; G550-N568 VanDerWaalsContact N-ND2 3.12Å; G566-N568 PolarHBondContact O-N 2.62Å; N568-Q581 VanDerWaalsContact C-NE2 3.3Å; N568-Q581 PolarHBondContact O-NE2 2.91Å |
| 569 | Q | 96 | Very high | 95.3 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -100.1 | 10.8 | 174.1 | -65.3 | -172.4 | -2.1 | 0 | 0 | 113 | E536 D547 P561 H563 G566 G567 | E536-Q569 VanDerWaalsContact CA-O 3.28Å; E536-Q569 WeakPolarHBondContact CA-O 3.41Å; D547-Q569 HydrophobicContact CB-CG 3.86Å; D547-Q569 WeakPolarHBondContact OD2-CG 3.29Å; D547-Q569 PolarHBondContact OD2-NE2 3.42Å; P561-Q569 PolarHBondContact O-NE2 2.84Å; H563-Q569 PolarHBondContact CD2-NE2 3.29Å; H563-Q569 PolarHBondContact CD2-OE1 3.28Å; H563-Q569 VanDerWaalsContact CD2-OE1 3.3Å; H563-Q569 VanDerWaalsContact NE2-CG 3.32Å; H563-Q569 WeakPolarHBondContact NE2-CG 3.37Å; H563-Q569 PolarHBondContact NE2-NE2 2.51Å; H563-Q569 PolarHBondContact NE2-OE1 3.15Å; G566-Q569 PolarHBondContact O-N 2.99Å; G566-Q569 VanDerWaalsContact O-N 3.11Å; G567-Q569 PolarHBondContact O-N 3.31Å |
| 570 | L | 95.8 | Very high | 95.3 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 9% | 0.089 | 22% | 0.222 | C | C | . | . | trans | -100.4 | 128 | 176.5 | -168 | 75.2 | 0 | 0 | 0 | 110.7 | E486 W534 G567 Q581 I654 | E486-L570 HydrophobicContact CB-CD2 3.86Å; E486-L570 HydrophobicContact CG-CD2 3.97Å; E486-L570 WeakPolarHBondContact OE2-CD2 3.34Å; W534-L570 HydrophobicContact CE3-CD1 3.97Å; W534-L570 HydrophobicContact CZ3-CD1 4.04Å; G567-L570 WeakPolarHBondContact O-CB 3.19Å; G567-L570 PolarHBondContact O-N 3.35Å; G567-L570 VanDerWaalsContact O-N 3.16Å; L570-Q581 PolarHBondContact O-NE2 3.41Å; L570-I654 HydrophobicContact CD1-CB 4.29Å; L570-I654 HydrophobicContact CD1-CD1 4.08Å; L570-I654 HydrophobicContact CD1-CG1 4.41Å | ||
| 571 | F | 97.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 162.2 | 176 | -61 | -88.1 | 0 | 0 | 0 | 110.9 | W534 G535 I537 I546 M580 Q581 L586 M651 | W534-F571 CarbonylContact C-O 3.58Å; W534-F571 WeakPolarHBondContact CA-O 3.11Å; G535-F571 PolarHBondContact N-O 2.61Å; G535-F571 PolarHBondContact O-N 3.02Å; I537-F571 HydrophobicContact CD1-CB 3.72Å; I537-F571 HydrophobicContact CD1-CD2 3.91Å; I537-F571 HydrophobicContact CD1-CG 3.78Å; I537-F571 HydrophobicContact CG1-CB 4.09Å; I537-F571 HydrophobicContact CG1-CD2 4.07Å; I537-F571 HydrophobicContact CG1-CG 4.3Å; I546-F571 HydrophobicContact CB-CE2 4.17Å; I546-F571 HydrophobicContact CG2-CE2 3.99Å; I546-F571 HydrophobicContact CG2-CZ 3.87Å; I546-F571 WeakPolarHBondContact O-CE2 3.17Å; F571-M580 CarbonylContact C-O 3.55Å; F571-M580 VanDerWaalsContact CA-O 3.3Å; F571-M580 WeakPolarHBondContact CA-O 3.16Å; F571-Q581 HydrophobicContact CD1-CB 3.85Å; F571-Q581 HydrophobicContact CE1-CB 3.9Å; F571-L586 HydrophobicContact CD1-CD1 4.04Å; F571-L586 HydrophobicContact CD1-CD2 4.18Å; F571-L586 HydrophobicContact CE1-CD1 3.71Å; F571-L586 HydrophobicContact CE1-CD2 3.91Å; F571-L586 HydrophobicContact CE1-CG 4.48Å; F571-M651 HydrophobicContact CB-CE 4.06Å; F571-M651 VanDerWaalsContact O-CE 3.22Å; F571-M651 WeakPolarHBondContact O-CE 3.49Å |
| 572 | R | 97.4 | Very high | 95 | Very high | 22 Ų | 22 | 43.4 Ų | 43.4 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 143.3 | 170.7 | 65.3 | -176.8 | -171.1 | -89.2 | -12.9 | 110.4 | A482 S483 W534 L579 M580 Y582 | A482-R572 VanDerWaalsContact O-CD 3.24Å; A482-R572 WeakPolarHBondContact O-CD 3.49Å; S483-R572 PolarHBondContact O-NH1 3.21Å; S483-R572 VanDerWaalsContact O-NH1 3.09Å; W534-R572 HydrophobicContact CB-CB 3.98Å; R572-L579 CarbonylContact O-C 3.58Å; R572-M580 HydrophobicContact CG-CB 3.88Å; R572-M580 PolarHBondContact N-O 3.19Å; R572-M580 VanDerWaalsContact NH2-CE 3.33Å; R572-M580 PolarHBondContact NH2-SD 2.98Å; R572-M580 PolarHBondContact O-N 3.49Å; R572-Y582 PolarHBondContact NH1-O 3.22Å; R572-Y582 PolarHBondContact NH2-O 3.06Å |
| 573 | I | 97.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.7 | 171.8 | 178.8 | 61.3 | 0 | 0 | 0 | 108 | V532 D533 Q578 L579 W608 M651 | V532-I573 HydrophobicContact CB-CG2 4.23Å; V532-I573 PolarHBondContact N-O 2.86Å; D533-I573 HydrophobicContact CB-CG2 4.1Å; D533-I573 PolarHBondContact N-O 3Å; D533-I573 WeakPolarHBondContact O-CG2 3.4Å; D533-I573 PolarHBondContact O-N 3.27Å; I573-Q578 WeakPolarHBondContact CD1-O 3.37Å; I573-L579 HydrophobicContact CB-CD1 3.98Å; I573-L579 HydrophobicContact CD1-CB 4.31Å; I573-L579 HydrophobicContact CD1-CD1 4.38Å; I573-W608 HydrophobicContact CD1-CB 3.91Å; I573-M651 HydrophobicContact CG2-CE 4.4Å; I573-M651 HydrophobicContact CG2-SD 3.79Å |
| 574 | N | 95.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.011 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 164.8 | -175.5 | 75.3 | 14.2 | 0 | 0 | 0 | 112.9 | P529 K530 A576 N577 Q578 | P529-N574 HydrophobicContact CB-CB 4.22Å; K530-N574 CarbonylContact O-C 3.42Å; K530-N574 WeakPolarHBondContact O-CA 3.25Å; K530-N574 WeakPolarHBondContact O-CB 3.07Å; N574-A576 PolarHBondContact O-N 2.92Å; N574-A576 VanDerWaalsContact O-N 3.14Å; N574-A576 VanDerWaalsContact OD1-C 3.26Å; N574-A576 WeakPolarHBondContact OD1-CA 3.22Å; N574-A576 WeakPolarHBondContact OD1-CB 3.47Å; N574-A576 PolarHBondContact OD1-N 2.97Å; N574-N577 PolarHBondContact O-N 2.96Å; N574-N577 PolarHBondContact OD1-N 3.16Å; N574-N577 VanDerWaalsContact OD1-N 3.13Å; N574-Q578 PolarHBondContact N-O 3.42Å; N574-Q578 VanDerWaalsContact N-O 3.11Å; N574-Q578 PolarHBondContact ND2-OE1 3.33Å; N574-Q578 WeakPolarHBondContact OD1-CB 3.1Å; N574-Q578 PolarHBondContact OD1-N 3.07Å |
| 575 | E | 96.2 | Very high | 95 | Very high | 121 Ų | 121 | 34.8 Ų | 34.8 | 57% | 0.565 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.3 | 177.6 | -72.3 | 179.3 | 170.8 | 0 | 0 | 113 | K530 V532 N577 | K530-E575 HydrophobicContact CB-CG 4.28Å; K530-E575 PolarHBondContact O-N 3.44Å; V532-E575 HydrophobicContact CG2-CG 3.98Å; E575-N577 PolarHBondContact O-N 3.1Å |
| 576 | A | 96.1 | Very high | 95.4 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 9.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P529 N574 K606 | P529-A576 HydrophobicContact CB-CB 4.13Å; P529-A576 HydrophobicContact CG-CB 3.7Å; N574-A576 PolarHBondContact O-N 2.92Å; N574-A576 VanDerWaalsContact O-N 3.14Å; N574-A576 VanDerWaalsContact OD1-C 3.26Å; N574-A576 WeakPolarHBondContact OD1-CA 3.22Å; N574-A576 WeakPolarHBondContact OD1-CB 3.47Å; N574-A576 PolarHBondContact OD1-N 2.97Å; A576-K606 VanDerWaalsContact O-CB 3.26Å; A576-K606 WeakPolarHBondContact O-CB 3.11Å; A576-K606 WeakPolarHBondContact O-CG 3.47Å |
| 577 | N | 97.8 | Very high | 95.7 | Very high | 57 Ų | 57 | 27.5 Ų | 27.5 | 31% | 0.305 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 66.1 | 29.8 | 179.1 | -58.9 | -54 | 0 | 0 | 0 | 114.7 | N574 E575 K606 E607 W608 I620 | N574-N577 PolarHBondContact O-N 2.96Å; N574-N577 PolarHBondContact OD1-N 3.16Å; N574-N577 VanDerWaalsContact OD1-N 3.13Å; E575-N577 PolarHBondContact O-N 3.1Å; N577-K606 CarbonylContact O-C 3.54Å; N577-K606 VanDerWaalsContact O-C 3.29Å; N577-K606 WeakPolarHBondContact O-CA 3.31Å; N577-E607 PolarHBondContact O-N 3.28Å; N577-W608 CarbonylContact C-O 3.57Å; N577-W608 VanDerWaalsContact CA-O 3.27Å; N577-W608 WeakPolarHBondContact CA-O 3.44Å; N577-W608 WeakPolarHBondContact CB-O 3.33Å; N577-W608 PolarHBondContact O-N 3.24Å; N577-W608 PolarHBondContact OD1-O 2.7Å; N577-I620 HydrophobicContact CB-CD1 3.89Å |
| 578 | Q | 97.7 | Very high | 96 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | trans | -102.5 | 126.5 | 174.2 | -53.5 | 175.6 | -67.1 | 0 | 0 | 110.1 | I573 N574 M580 N601 E604 K606 | I573-Q578 WeakPolarHBondContact CD1-O 3.37Å; N574-Q578 PolarHBondContact N-O 3.42Å; N574-Q578 VanDerWaalsContact N-O 3.11Å; N574-Q578 PolarHBondContact ND2-OE1 3.33Å; N574-Q578 WeakPolarHBondContact OD1-CB 3.1Å; N574-Q578 PolarHBondContact OD1-N 3.07Å; Q578-M580 HydrophobicContact CB-CG 3.87Å; Q578-M580 HydrophobicContact CB-SD 4.27Å; Q578-N601 PolarHBondContact NE2-O 2.88Å; Q578-E604 PolarHBondContact NE2-O 3.09Å; Q578-K606 HydrophobicContact CG-CG 4.03Å | ||
| 579 | L | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 110.1 | 172.7 | -171.8 | 64.3 | 0 | 0 | 0 | 108.6 | I537 R572 I573 C585 L586 W608 F617 | I537-L579 HydrophobicContact CD1-CD1 3.95Å; I537-L579 HydrophobicContact CD1-CD2 4.08Å; I537-L579 HydrophobicContact CD1-CG 4.4Å; R572-L579 CarbonylContact O-C 3.58Å; I573-L579 HydrophobicContact CB-CD1 3.98Å; I573-L579 HydrophobicContact CD1-CB 4.31Å; I573-L579 HydrophobicContact CD1-CD1 4.38Å; L579-C585 CarbonylContact O-C 3.58Å; L579-C585 VanDerWaalsContact O-CA 3.3Å; L579-C585 WeakPolarHBondContact O-CA 3.43Å; L579-L586 HydrophobicContact CB-CB 4.3Å; L579-L586 HydrophobicContact CD2-CB 4.16Å; L579-L586 HydrophobicContact CD2-CD2 3.82Å; L579-L586 HydrophobicContact CG-CB 4.34Å; L579-L586 HydrophobicContact CG-CD2 4.32Å; L579-L586 PolarHBondContact O-N 2.66Å; L579-W608 HydrophobicContact CB-CB 4.03Å; L579-W608 HydrophobicContact CB-CD2 4.45Å; L579-W608 HydrophobicContact CB-CG 3.73Å; L579-W608 HydrophobicContact CD2-CD2 4.26Å; L579-W608 HydrophobicContact CD2-CG 4.35Å; L579-F617 HydrophobicContact CD1-CE1 3.98Å |
| 580 | M | 97.2 | Very high | 94.8 | Very high | 21 Ų | 21 | 33 Ų | 33 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 151.1 | -164.6 | -50.1 | -176.1 | 81.6 | 0 | 0 | 113.3 | F571 R572 Q578 Q584 | F571-M580 CarbonylContact C-O 3.55Å; F571-M580 VanDerWaalsContact CA-O 3.3Å; F571-M580 WeakPolarHBondContact CA-O 3.16Å; R572-M580 HydrophobicContact CG-CB 3.88Å; R572-M580 PolarHBondContact N-O 3.19Å; R572-M580 VanDerWaalsContact NH2-CE 3.33Å; R572-M580 PolarHBondContact NH2-SD 2.98Å; R572-M580 PolarHBondContact O-N 3.49Å; Q578-M580 HydrophobicContact CB-CG 3.87Å; Q578-M580 HydrophobicContact CB-SD 4.27Å; M580-Q584 CarbonylContact C-O 3.56Å; M580-Q584 WeakPolarHBondContact CA-O 3.33Å; M580-Q584 WeakPolarHBondContact CB-O 3.44Å |
| 581 | Q | 95.5 | Very high | 93.7 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 126.3 | 161.3 | 174.8 | 176.8 | 90 | 0 | 0 | 108 | S548 G567 N568 L570 F571 D583 Q584 I597 | S548-Q581 PolarHBondContact OG-OE1 3.32Å; G567-Q581 PolarHBondContact O-NE2 2.94Å; N568-Q581 VanDerWaalsContact C-NE2 3.3Å; N568-Q581 PolarHBondContact O-NE2 2.91Å; L570-Q581 PolarHBondContact O-NE2 3.41Å; F571-Q581 HydrophobicContact CD1-CB 3.85Å; F571-Q581 HydrophobicContact CE1-CB 3.9Å; Q581-D583 PolarHBondContact O-N 3.16Å; Q581-Q584 PolarHBondContact N-O 3.06Å; Q581-Q584 PolarHBondContact O-N 2.91Å; Q581-Q584 VanDerWaalsContact O-O 3.13Å; Q581-I597 HydrophobicContact CB-CD1 4.17Å |
| 582 | Y | 90.7 | Very high | 92.7 | Very high | 107 Ų | 107 | 37.1 Ų | 37.1 | 42% | 0.42 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | -121.4 | -171.3 | -55.9 | -60.7 | 0 | 0 | 0 | 112 | R572 | R572-Y582 PolarHBondContact NH1-O 3.22Å; R572-Y582 PolarHBondContact NH2-O 3.06Å |
| 583 | D | 90.4 | Very high | 92.3 | Very high | 84 Ų | 84 | 38.3 Ų | 38.3 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 10.3 | 178 | 69.5 | -49.3 | 0 | 0 | 0 | 113.5 | Q581 H599 | Q581-D583 PolarHBondContact O-N 3.16Å; D583-H599 PolarHBondContact O-ND1 3.2Å; D583-H599 IonicContact OD2-CE1 2.79Å; D583-H599 IonicContact OD2-ND1 3.4Å; D583-H599 PolarHBondContact OD2-ND1 3Å |
| 584 | Q | 95.3 | Very high | 92.2 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 154.8 | -175.6 | -65 | 178.9 | 85.4 | 0 | 0 | 111.7 | T552 M580 Q581 I597 T598 C600 | T552-Q584 VanDerWaalsContact CG2-NE2 3.31Å; M580-Q584 CarbonylContact C-O 3.56Å; M580-Q584 WeakPolarHBondContact CA-O 3.33Å; M580-Q584 WeakPolarHBondContact CB-O 3.44Å; Q581-Q584 PolarHBondContact N-O 3.06Å; Q581-Q584 PolarHBondContact O-N 2.91Å; Q581-Q584 VanDerWaalsContact O-O 3.13Å; Q584-I597 HydrophobicContact CB-CD1 3.98Å; Q584-I597 HydrophobicContact CB-CG1 3.65Å; Q584-I597 HydrophobicContact CG-CG1 4.48Å; Q584-T598 CarbonylContact C-O 3.43Å; Q584-T598 VanDerWaalsContact CA-O 3.32Å; Q584-T598 WeakPolarHBondContact CA-O 3.35Å; Q584-T598 WeakPolarHBondContact CB-O 3.49Å; Q584-C600 VanDerWaalsContact C-SG 3.56Å |
| 585 | C | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 149 | 175.6 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | L579 I597 T598 C600 F605 | L579-C585 CarbonylContact O-C 3.58Å; L579-C585 VanDerWaalsContact O-CA 3.3Å; L579-C585 WeakPolarHBondContact O-CA 3.43Å; C585-I597 WeakPolarHBondContact O-CA 3.46Å; C585-T598 PolarHBondContact N-O 2.81Å; C585-T598 PolarHBondContact O-N 2.82Å; C585-C600 HydrophobicContact CB-CB 3.46Å; C585-C600 VanDerWaalsContact CB-CB 3.46Å; C585-C600 WeakPolarHBondContact CB-SG 3.26Å; C585-C600 PolarHBondContact N-SG 2.95Å; C585-C600 WeakPolarHBondContact SG-CB 3.35Å; C585-C600 CovalentContact SG-SG 2.02Å; C585-C600 PolarHBondContact SG-SG 3.02Å; C585-F605 HydrophobicContact CB-CB 4.15Å; C585-F605 HydrophobicContact CB-CD2 4.13Å |
| 586 | L | 97.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 131.5 | 167.1 | -87.5 | 59.3 | 0 | 0 | 0 | 108.5 | V557 F571 L579 V595 M596 I597 W608 | V557-L586 HydrophobicContact CG1-CD1 4.24Å; V557-L586 HydrophobicContact CG1-CD2 4.2Å; V557-L586 HydrophobicContact CG1-CG 4.08Å; V557-L586 HydrophobicContact CG2-CD2 4.22Å; F571-L586 HydrophobicContact CD1-CD1 4.04Å; F571-L586 HydrophobicContact CD1-CD2 4.18Å; F571-L586 HydrophobicContact CE1-CD1 3.71Å; F571-L586 HydrophobicContact CE1-CD2 3.91Å; F571-L586 HydrophobicContact CE1-CG 4.48Å; L579-L586 HydrophobicContact CB-CB 4.3Å; L579-L586 HydrophobicContact CD2-CB 4.16Å; L579-L586 HydrophobicContact CD2-CD2 3.82Å; L579-L586 HydrophobicContact CG-CB 4.34Å; L579-L586 HydrophobicContact CG-CD2 4.32Å; L579-L586 PolarHBondContact O-N 2.66Å; L586-V595 HydrophobicContact CB-CG1 3.83Å; L586-V595 HydrophobicContact CD2-CG1 3.94Å; L586-V595 HydrophobicContact CG-CG1 3.86Å; L586-M596 CarbonylContact C-O 3.4Å; L586-M596 VanDerWaalsContact CA-O 3.3Å; L586-M596 WeakPolarHBondContact CA-O 3.5Å; L586-I597 HydrophobicContact CD1-CB 4.15Å; L586-I597 HydrophobicContact CD1-CD1 4.07Å; L586-I597 HydrophobicContact CD1-CG1 4.03Å; L586-W608 PolarHBondContact O-NE1 2.74Å |
| 587 | T | 96.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 165.7 | 177.2 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | G589 M596 T598 F605 E607 | T587-G589 PolarHBondContact O-N 2.94Å; T587-M596 HydrophobicContact CG2-CE 3.65Å; T587-M596 PolarHBondContact N-O 3.43Å; T587-M596 PolarHBondContact O-N 2.83Å; T587-T598 HydrophobicContact CG2-CG2 3.85Å; T587-F605 VanDerWaalsContact CB-CD1 3.45Å; T587-F605 HydrophobicContact CG2-CD1 3.87Å; T587-F605 HydrophobicContact CG2-CE1 3.84Å; T587-F605 HydrophobicContact CG2-CG 4.26Å; T587-F605 HydrophobicContact CG2-CZ 4.22Å; T587-F605 WeakPolarHBondContact OG1-CD1 3.04Å; T587-E607 WeakPolarHBondContact CA-OE1 3.46Å; T587-E607 WeakPolarHBondContact CB-OE1 3.27Å; T587-E607 VanDerWaalsContact OG1-CD 3.23Å; T587-E607 PolarHBondContact OG1-OE1 2.76Å; T587-E607 PolarHBondContact OG1-OE2 3.05Å |
| 588 | K | 95.3 | Very high | 92.2 | Very high | 92 Ų | 92 | 36 Ų | 36 | 40% | 0.4 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 123.9 | 172.8 | -173.3 | -167.1 | 71.4 | 179.3 | 0 | 111.4 | E607 I637 | K588-E607 PolarHBondContact N-OE1 3.02Å; K588-I637 HydrophobicContact CB-CD1 4.33Å; K588-I637 HydrophobicContact CD-CD1 3.8Å; K588-I637 HydrophobicContact CG-CD1 3.78Å |
| 589 | G | 88.7 | Confident | 92 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | trans | -66.7 | 161.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T587 D591 G592 K594 | T587-G589 PolarHBondContact O-N 2.94Å; G589-D591 PolarHBondContact O-N 2.64Å; G589-G592 PolarHBondContact O-N 2.79Å; G589-K594 PolarHBondContact N-O 2.76Å | ||
| 590 | A | 77.8 | Confident | 91.6 | Very high | 113 Ų | 113 | 40.4 Ų | 40.4 | 93% | 0.934 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G592 | A590-G592 PolarHBondContact O-N 2.96Š|
| 591 | D | 72.1 | Confident | 91.3 | Very high | 76 Ų | 76 | 43.7 Ų | 43.7 | 41% | 0.406 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -3.2 | 173.7 | 55.9 | -9.3 | 0 | 0 | 0 | 113.6 | G589 S593 K594 | G589-D591 PolarHBondContact O-N 2.64Å; D591-S593 PolarHBondContact O-N 3.07Å; D591-K594 WeakPolarHBondContact OD2-CD 3.26Å; D591-K594 VanDerWaalsContact OD2-CE 3.23Å; D591-K594 WeakPolarHBondContact OD2-CE 3.35Å; D591-K594 VanDerWaalsContact OD2-CG 3.29Å; D591-K594 WeakPolarHBondContact OD2-CG 3.44Å; D591-K594 IonicContact OD2-NZ 3.41Å; D591-K594 PolarHBondContact OD2-NZ 3.4Å |
| 592 | G | 75.8 | Confident | 91 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 32% | 0.32 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 94.4 | -14.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | G589 A590 | G589-G592 PolarHBondContact O-N 2.79Å; A590-G592 PolarHBondContact O-N 2.96Å |
| 593 | S | 89.6 | Confident | 90.9 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -136.3 | -22.8 | 176.9 | 63.2 | 0 | 0 | 0 | 0 | 115.2 | D591 F636 I637 | D591-S593 PolarHBondContact O-N 3.07Å; S593-F636 CarbonylContact O-C 3.47Å; S593-F636 WeakPolarHBondContact O-CA 3.37Å; S593-F636 VanDerWaalsContact O-CB 3.29Å; S593-F636 WeakPolarHBondContact O-CB 3.48Å; S593-I637 WeakPolarHBondContact O-CG1 3.26Å; S593-I637 PolarHBondContact O-N 2.92Å |
| 594 | K | 95 | Very high | 91.1 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -74.6 | 154.5 | 179.7 | -63.8 | -168.6 | -162.6 | 153.8 | 0 | 111.5 | F556 G589 D591 | F556-K594 HydrophobicContact CD1-CB 3.61Å; F556-K594 HydrophobicContact CD1-CD 4.06Å; F556-K594 HydrophobicContact CD2-CD 4.31Å; F556-K594 HydrophobicContact CE1-CB 3.78Å; F556-K594 HydrophobicContact CE1-CD 4.24Å; F556-K594 HydrophobicContact CE2-CD 4.49Å; F556-K594 HydrophobicContact CG-CB 4.38Å; F556-K594 HydrophobicContact CG-CD 4.09Å; F556-K594 HydrophobicContact CZ-CD 4.45Å; G589-K594 PolarHBondContact N-O 2.76Å; D591-K594 WeakPolarHBondContact OD2-CD 3.26Å; D591-K594 VanDerWaalsContact OD2-CE 3.23Å; D591-K594 WeakPolarHBondContact OD2-CE 3.35Å; D591-K594 VanDerWaalsContact OD2-CG 3.29Å; D591-K594 WeakPolarHBondContact OD2-CG 3.44Å; D591-K594 IonicContact OD2-NZ 3.41Å; D591-K594 PolarHBondContact OD2-NZ 3.4Å |
| 595 | V | 97.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126.5 | 173.9 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | F556 V557 L586 W608 L626 V635 I637 | F556-V595 WeakPolarHBondContact CA-O 3.13Å; V557-V595 HydrophobicContact CG2-CB 3.68Å; V557-V595 HydrophobicContact CG2-CG1 3.71Å; V557-V595 PolarHBondContact N-O 2.75Å; L586-V595 HydrophobicContact CB-CG1 3.83Å; L586-V595 HydrophobicContact CD2-CG1 3.94Å; L586-V595 HydrophobicContact CG-CG1 3.86Å; V595-W608 HydrophobicContact CG1-CZ2 4.21Å; V595-W608 HydrophobicContact CG2-CH2 4.13Å; V595-W608 HydrophobicContact CG2-CZ2 4.27Å; V595-L626 HydrophobicContact CG2-CD1 3.82Å; V595-V635 HydrophobicContact CB-CG1 4.42Å; V595-V635 HydrophobicContact CG2-CG1 4.18Å; V595-I637 HydrophobicContact CG2-CG2 4.24Å |
| 596 | M | 96.4 | Very high | 91.1 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 19% | 0.192 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.7 | -175.9 | -175.7 | -175.9 | 72.6 | 0 | 0 | 109.3 | G554 G555 F556 L586 T587 T598 | G554-M596 WeakPolarHBondContact O-CG 3.18Å; G555-M596 CarbonylContact O-C 3.18Å; G555-M596 WeakPolarHBondContact O-CA 3.48Å; G555-M596 WeakPolarHBondContact O-CG 3.43Å; F556-M596 HydrophobicContact CD1-CB 4.07Å; F556-M596 HydrophobicContact CE1-CB 4.18Å; L586-M596 CarbonylContact C-O 3.4Å; L586-M596 VanDerWaalsContact CA-O 3.3Å; L586-M596 WeakPolarHBondContact CA-O 3.5Å; T587-M596 HydrophobicContact CG2-CE 3.65Å; T587-M596 PolarHBondContact N-O 3.43Å; T587-M596 PolarHBondContact O-N 2.83Å; M596-T598 HydrophobicContact CE-CG2 3.96Å |
| 597 | I | 96.9 | Very high | 91 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.6 | 171.1 | -173.7 | 168.2 | 0 | 0 | 0 | 109.8 | K551 N553 G554 G555 V557 Q581 Q584 C585 L586 | K551-I597 HydrophobicContact CB-CG2 4.3Å; K551-I597 WeakPolarHBondContact O-CG2 3.38Å; N553-I597 PolarHBondContact N-O 3.39Å; G554-I597 PolarHBondContact N-O 3.48Å; G555-I597 WeakPolarHBondContact O-CG2 3.49Å; G555-I597 PolarHBondContact O-N 3.22Å; V557-I597 HydrophobicContact CG1-CB 4.05Å; V557-I597 HydrophobicContact CG1-CG2 4.26Å; Q581-I597 HydrophobicContact CB-CD1 4.17Å; Q584-I597 HydrophobicContact CB-CD1 3.98Å; Q584-I597 HydrophobicContact CB-CG1 3.65Å; Q584-I597 HydrophobicContact CG-CG1 4.48Å; C585-I597 WeakPolarHBondContact O-CA 3.46Å; L586-I597 HydrophobicContact CD1-CB 4.15Å; L586-I597 HydrophobicContact CD1-CD1 4.07Å; L586-I597 HydrophobicContact CD1-CG1 4.03Å |
| 598 | T | 95.7 | Very high | 91.1 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 17% | 0.172 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 156.9 | 178.8 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | Q584 C585 T587 M596 C600 F605 | Q584-T598 CarbonylContact C-O 3.43Å; Q584-T598 VanDerWaalsContact CA-O 3.32Å; Q584-T598 WeakPolarHBondContact CA-O 3.35Å; Q584-T598 WeakPolarHBondContact CB-O 3.49Å; C585-T598 PolarHBondContact N-O 2.81Å; C585-T598 PolarHBondContact O-N 2.82Å; T587-T598 HydrophobicContact CG2-CG2 3.85Å; M596-T598 HydrophobicContact CE-CG2 3.96Å; T598-C600 PolarHBondContact O-N 3.45Å; T598-F605 HydrophobicContact CG2-CD2 4.24Å; T598-F605 HydrophobicContact CG2-CE2 3.5Å; T598-F605 VanDerWaalsContact CG2-CE2 3.5Å; T598-F605 HydrophobicContact CG2-CZ 3.74Å |
| 599 | H | 93.4 | Very high | 91.2 | Very high | 86 Ų | 86 | 53.8 Ų | 53.8 | 40% | 0.398 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 140.6 | 171.1 | -174.2 | 73.6 | 0 | 0 | 0 | 111 | D583 | D583-H599 PolarHBondContact O-ND1 3.2Å; D583-H599 IonicContact OD2-CE1 2.79Å; D583-H599 IonicContact OD2-ND1 3.4Å; D583-H599 PolarHBondContact OD2-ND1 3Å |
| 600 | C | 90.3 | Very high | 91.7 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | trans | -140.4 | 137.5 | -176.6 | 61.8 | 0 | 0 | 0 | 0 | 112.4 | Q584 C585 T598 F605 | Q584-C600 VanDerWaalsContact C-SG 3.56Å; C585-C600 HydrophobicContact CB-CB 3.46Å; C585-C600 VanDerWaalsContact CB-CB 3.46Å; C585-C600 WeakPolarHBondContact CB-SG 3.26Å; C585-C600 PolarHBondContact N-SG 2.95Å; C585-C600 WeakPolarHBondContact SG-CB 3.35Å; C585-C600 CovalentContact SG-SG 2.02Å; C585-C600 PolarHBondContact SG-SG 3.02Å; T598-C600 PolarHBondContact O-N 3.45Å; C600-F605 HydrophobicContact CB-CD2 3.57Å; C600-F605 HydrophobicContact CB-CE2 4.05Å | ||
| 601 | N | 90.1 | Very high | 92.6 | Very high | 90 Ų | 90 | 52.8 Ų | 52.8 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | trans | -86.6 | 171.8 | 170.7 | -63.9 | -63.8 | 0 | 0 | 0 | 111.5 | Q578 N603 E604 | Q578-N601 PolarHBondContact NE2-O 2.88Å; N601-N603 PolarHBondContact O-N 3.16Å; N601-E604 HydrophobicContact CB-CG 4.28Å; N601-E604 WeakPolarHBondContact CB-OE2 3.44Å; N601-E604 PolarHBondContact N-OE2 2.69Å; N601-E604 PolarHBondContact ND2-OE2 2.89Å; N601-E604 PolarHBondContact O-N 3.42Å; N601-E604 VanDerWaalsContact O-N 3.14Å | ||
| 602 | L | 88.9 | Confident | 93.6 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 34% | 0.335 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -26.9 | 178.9 | -105.9 | -173.8 | 0 | 0 | 0 | 115.1 | P526 P529 K606 | P526-L602 HydrophobicContact CB-CD1 3.08Å; P526-L602 HydrophobicContact CB-CG 3.72Å; P526-L602 HydrophobicContact CG-CD1 3.69Å; P526-L602 HydrophobicContact CG-CG 4.15Å; P529-L602 HydrophobicContact CG-CD2 4.13Å; L602-K606 WeakPolarHBondContact O-CE 2.99Å; L602-K606 PolarHBondContact O-NZ 3.11Å; L602-K606 VanDerWaalsContact O-NZ 3.14Å |
| 603 | N | 89.8 | Confident | 94.5 | Very high | 130 Ų | 130 | 60.5 Ų | 60.5 | 70% | 0.695 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 2.6 | -173.5 | -69.6 | -36.8 | 0 | 0 | 0 | 114.1 | N601 K606 | N601-N603 PolarHBondContact O-N 3.16Å; N603-K606 PolarHBondContact OD1-NZ 2.96Å |
| 604 | E | 93.9 | Very high | 94.8 | Very high | 79 Ų | 79 | 63.2 Ų | 63.2 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -101.6 | 151.2 | -177.4 | -67.8 | 174.4 | 148.9 | 0 | 0 | 111.1 | Q578 N601 K606 | Q578-E604 PolarHBondContact NE2-O 3.09Å; N601-E604 HydrophobicContact CB-CG 4.28Å; N601-E604 WeakPolarHBondContact CB-OE2 3.44Å; N601-E604 PolarHBondContact N-OE2 2.69Å; N601-E604 PolarHBondContact ND2-OE2 2.89Å; N601-E604 PolarHBondContact O-N 3.42Å; N601-E604 VanDerWaalsContact O-N 3.14Å; E604-K606 VanDerWaalsContact C-N 3.25Å; E604-K606 PolarHBondContact O-N 3.34Å; E604-K606 VanDerWaalsContact O-N 3.14Å |
| 605 | F | 95.6 | Very high | 94.8 | Very high | 59 Ų | 59 | 61.8 Ų | 61.8 | 26% | 0.259 | 30% | 0.303 | S | S | . | . | trans | 51.8 | 39 | 173.2 | -43.3 | -57.1 | 0 | 0 | 0 | 114.8 | C585 T587 T598 C600 E607 | C585-F605 HydrophobicContact CB-CB 4.15Å; C585-F605 HydrophobicContact CB-CD2 4.13Å; T587-F605 VanDerWaalsContact CB-CD1 3.45Å; T587-F605 HydrophobicContact CG2-CD1 3.87Å; T587-F605 HydrophobicContact CG2-CE1 3.84Å; T587-F605 HydrophobicContact CG2-CG 4.26Å; T587-F605 HydrophobicContact CG2-CZ 4.22Å; T587-F605 WeakPolarHBondContact OG1-CD1 3.04Å; T598-F605 HydrophobicContact CG2-CD2 4.24Å; T598-F605 HydrophobicContact CG2-CE2 3.5Å; T598-F605 VanDerWaalsContact CG2-CE2 3.5Å; T598-F605 HydrophobicContact CG2-CZ 3.74Å; C600-F605 HydrophobicContact CB-CD2 3.57Å; C600-F605 HydrophobicContact CB-CE2 4.05Å; F605-E607 HydrophobicContact CB-CG 4.49Å; F605-E607 PolarHBondContact O-N 3.48Å | ||
| 606 | K | 96.6 | Very high | 94.8 | Very high | 86 Ų | 86 | 63.9 Ų | 63.9 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | trans | -77.6 | 58.6 | 171.2 | -62.7 | -172.9 | 171.6 | 167.5 | 0 | 111.2 | A576 N577 Q578 L602 N603 E604 | A576-K606 VanDerWaalsContact O-CB 3.26Å; A576-K606 WeakPolarHBondContact O-CB 3.11Å; A576-K606 WeakPolarHBondContact O-CG 3.47Å; N577-K606 CarbonylContact O-C 3.54Å; N577-K606 VanDerWaalsContact O-C 3.29Å; N577-K606 WeakPolarHBondContact O-CA 3.31Å; Q578-K606 HydrophobicContact CG-CG 4.03Å; L602-K606 WeakPolarHBondContact O-CE 2.99Å; L602-K606 PolarHBondContact O-NZ 3.11Å; L602-K606 VanDerWaalsContact O-NZ 3.14Å; N603-K606 PolarHBondContact OD1-NZ 2.96Å; E604-K606 VanDerWaalsContact C-N 3.25Å; E604-K606 PolarHBondContact O-N 3.34Å; E604-K606 VanDerWaalsContact O-N 3.14Å | ||
| 607 | E | 96.6 | Very high | 94.9 | Very high | 21 Ų | 21 | 62 Ų | 62 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | trans | -125.5 | 4.3 | -161.4 | 65.7 | -172.7 | -140.8 | 0 | 0 | 115 | N577 T587 K588 F605 H619 I620 P621 | N577-E607 PolarHBondContact O-N 3.28Å; T587-E607 WeakPolarHBondContact CA-OE1 3.46Å; T587-E607 WeakPolarHBondContact CB-OE1 3.27Å; T587-E607 VanDerWaalsContact OG1-CD 3.23Å; T587-E607 PolarHBondContact OG1-OE1 2.76Å; T587-E607 PolarHBondContact OG1-OE2 3.05Å; K588-E607 PolarHBondContact N-OE1 3.02Å; F605-E607 HydrophobicContact CB-CG 4.49Å; F605-E607 PolarHBondContact O-N 3.48Å; E607-H619 CarbonylContact O-C 3.58Å; E607-H619 VanDerWaalsContact O-CA 3.3Å; E607-H619 WeakPolarHBondContact O-CA 3.41Å; E607-H619 IonicContact OE1-CD2 2.77Å; E607-H619 IonicContact OE1-NE2 3.57Å; E607-H619 PolarHBondContact OE1-NE2 2.82Å; E607-H619 IonicContact OE2-NE2 3.83Å; E607-I620 PolarHBondContact O-N 3.48Å; E607-P621 HydrophobicContact CB-CG 3.85Å | ||
| 608 | W | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.1 | -177.7 | -66.5 | 98.6 | 0 | 0 | 0 | 112.6 | I573 N577 L579 L586 V595 F617 H619 L626 I637 | I573-W608 HydrophobicContact CD1-CB 3.91Å; N577-W608 CarbonylContact C-O 3.57Å; N577-W608 VanDerWaalsContact CA-O 3.27Å; N577-W608 WeakPolarHBondContact CA-O 3.44Å; N577-W608 WeakPolarHBondContact CB-O 3.33Å; N577-W608 PolarHBondContact O-N 3.24Å; N577-W608 PolarHBondContact OD1-O 2.7Å; L579-W608 HydrophobicContact CB-CB 4.03Å; L579-W608 HydrophobicContact CB-CD2 4.45Å; L579-W608 HydrophobicContact CB-CG 3.73Å; L579-W608 HydrophobicContact CD2-CD2 4.26Å; L579-W608 HydrophobicContact CD2-CG 4.35Å; L586-W608 PolarHBondContact O-NE1 2.74Å; V595-W608 HydrophobicContact CG1-CZ2 4.21Å; V595-W608 HydrophobicContact CG2-CH2 4.13Å; V595-W608 HydrophobicContact CG2-CZ2 4.27Å; W608-F617 HydrophobicContact CE3-CB 4.41Å; W608-H619 HydrophobicContact CE3-CB 4.4Å; W608-H619 HydrophobicContact CH2-CB 4.3Å; W608-H619 HydrophobicContact CZ3-CB 4.07Å; W608-L626 HydrophobicContact CH2-CD1 3.83Å; W608-L626 HydrophobicContact CZ3-CB 4.17Å; W608-L626 HydrophobicContact CZ3-CD1 4.08Å; W608-I637 HydrophobicContact CH2-CG2 3.62Å; W608-I637 HydrophobicContact CZ3-CG2 4.22Å |
| 609 | Q | 97.6 | Very high | 95.1 | Very high | 80 Ų | 80 | 62.1 Ų | 62.1 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.4 | 168.8 | -169.2 | 173 | 11.2 | 0 | 0 | 110.1 | F611 F617 T618 I620 | Q609-F611 HydrophobicContact CB-CE2 4.08Å; Q609-F611 HydrophobicContact CB-CZ 4.47Å; Q609-F611 HydrophobicContact CG-CD2 4.33Å; Q609-F611 HydrophobicContact CG-CE1 4.31Å; Q609-F611 HydrophobicContact CG-CE2 3.67Å; Q609-F611 HydrophobicContact CG-CZ 3.69Å; Q609-F611 VanDerWaalsContact NE2-CZ 3.29Å; Q609-F611 VanDerWaalsContact OE1-CZ 3.28Å; Q609-F617 WeakPolarHBondContact O-CA 3.37Å; Q609-T618 PolarHBondContact N-O 3.47Å; Q609-T618 PolarHBondContact O-N 2.68Å; Q609-I620 HydrophobicContact CB-CD1 4.27Å; Q609-I620 HydrophobicContact CB-CG1 4.19Å |
| 610 | Y | 97.9 | Very high | 95.2 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.6 | 176.7 | 179.8 | -130.1 | 0 | 0 | 0 | 111.3 | D533 K612 K616 F617 M651 | D533-Y610 HydrophobicContact CB-CD1 4.22Å; D533-Y610 HydrophobicContact CB-CE1 4.33Å; Y610-K612 HydrophobicContact CE1-CB 3.99Å; Y610-K612 HydrophobicContact CE1-CG 4.31Å; Y610-K616 WeakPolarHBondContact CD2-O 3.47Å; Y610-F617 HydrophobicContact CD1-CZ 4.25Å; Y610-F617 AromaticContact CD2-CD1 3.97Å; Y610-F617 HydrophobicContact CD2-CD1 3.97Å; Y610-F617 AromaticContact CD2-CD2 3.57Å; Y610-F617 HydrophobicContact CD2-CD2 3.57Å; Y610-F617 AromaticContact CD2-CE1 3.7Å; Y610-F617 HydrophobicContact CD2-CE1 3.7Å; Y610-F617 AromaticContact CD2-CE2 3.25Å; Y610-F617 HydrophobicContact CD2-CE2 3.25Å; Y610-F617 AromaticContact CD2-CG 3.91Å; Y610-F617 HydrophobicContact CD2-CG 3.91Å; Y610-F617 AromaticContact CD2-CZ 3.32Å; Y610-F617 HydrophobicContact CD2-CZ 3.32Å; Y610-F617 AromaticContact CE2-CD2 3.92Å; Y610-F617 HydrophobicContact CE2-CD2 3.92Å; Y610-F617 AromaticContact CE2-CE2 3.41Å; Y610-F617 HydrophobicContact CE2-CE2 3.41Å; Y610-F617 VanDerWaalsContact CE2-CE2 3.41Å; Y610-F617 AromaticContact CE2-CZ 3.8Å; Y610-F617 HydrophobicContact CE2-CZ 3.8Å; Y610-F617 HydrophobicContact CG-CD1 4.25Å; Y610-F617 AromaticContact CG-CE1 3.72Å; Y610-F617 HydrophobicContact CG-CE1 3.72Å; Y610-F617 HydrophobicContact CG-CE2 4.03Å; Y610-F617 AromaticContact CG-CZ 3.59Å; Y610-F617 HydrophobicContact CG-CZ 3.59Å; Y610-M651 HydrophobicContact CE1-CB 3.79Å; Y610-M651 PolarHBondContact OH-N 3.36Å |
| 611 | F | 96.7 | Very high | 95.4 | Very high | 73 Ų | 73 | 65.6 Ų | 65.6 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 96.2 | 175.6 | -61.4 | -86.7 | 0 | 0 | 0 | 109.7 | Q609 N613 L614 H615 K616 | Q609-F611 HydrophobicContact CB-CE2 4.08Å; Q609-F611 HydrophobicContact CB-CZ 4.47Å; Q609-F611 HydrophobicContact CG-CD2 4.33Å; Q609-F611 HydrophobicContact CG-CE1 4.31Å; Q609-F611 HydrophobicContact CG-CE2 3.67Å; Q609-F611 HydrophobicContact CG-CZ 3.69Å; Q609-F611 VanDerWaalsContact NE2-CZ 3.29Å; Q609-F611 VanDerWaalsContact OE1-CZ 3.28Å; F611-N613 PolarHBondContact O-N 3.11Å; F611-L614 HydrophobicContact CB-CB 3.91Å; F611-L614 HydrophobicContact CB-CD1 4.02Å; F611-L614 HydrophobicContact CB-CG 4.14Å; F611-L614 HydrophobicContact CG-CD1 4.24Å; F611-L614 CarbonylContact O-C 3.55Å; F611-L614 PolarHBondContact O-N 3.44Å; F611-H615 PolarHBondContact O-N 2.71Å; F611-K616 PolarHBondContact N-O 2.69Å; F611-K616 PolarHBondContact O-N 3.15Å |
| 612 | K | 94.3 | Very high | 95.6 | Very high | 111 Ų | 111 | 63.6 Ų | 63.6 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -53.4 | -49.1 | -177.2 | -167.8 | 167.3 | -165.4 | 141.6 | 0 | 113.1 | D533 Y610 L614 H615 | D533-K612 IonicContact OD2-NZ 2.85Å; D533-K612 PolarHBondContact OD2-NZ 3.42Å; Y610-K612 HydrophobicContact CE1-CB 3.99Å; Y610-K612 HydrophobicContact CE1-CG 4.31Å; K612-L614 PolarHBondContact O-N 3.45Å; K612-H615 PolarHBondContact O-N 3.24Å; K612-H615 VanDerWaalsContact O-N 3.08Å |
| 613 | N | 94.6 | Very high | 95.9 | Very high | 157 Ų | 157 | 62.8 Ų | 62.8 | 84% | 0.84 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -66 | -22.3 | -179.5 | -62.2 | -16.9 | 0 | 0 | 0 | 113.8 | F611 | F611-N613 PolarHBondContact O-N 3.11Š|
| 614 | L | 94.8 | Very high | 96.3 | Very high | 105 Ų | 105 | 59.4 Ų | 59.4 | 55% | 0.55 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -99.1 | -2.2 | 178.3 | -59.8 | 179.8 | 0 | 0 | 0 | 112.2 | F611 K612 K616 | F611-L614 HydrophobicContact CB-CB 3.91Å; F611-L614 HydrophobicContact CB-CD1 4.02Å; F611-L614 HydrophobicContact CB-CG 4.14Å; F611-L614 HydrophobicContact CG-CD1 4.24Å; F611-L614 CarbonylContact O-C 3.55Å; F611-L614 PolarHBondContact O-N 3.44Å; K612-L614 PolarHBondContact O-N 3.45Å; L614-K616 HydrophobicContact CB-CB 4Å; L614-K616 PolarHBondContact O-N 3.04Å |
| 615 | H | 96.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 42.8 | -170.1 | -62.1 | -67 | 0 | 0 | 0 | 112.2 | F540 F611 K612 K648 W649 | F540-H615 HydrophobicContact CD2-CB 4.24Å; F540-H615 AromaticContact CD2-CD2 3.76Å; F540-H615 AromaticContact CD2-CE1 3.79Å; F540-H615 AromaticContact CD2-CG 3.6Å; F540-H615 AromaticContact CD2-ND1 3.62Å; F540-H615 AromaticContact CD2-NE2 3.89Å; F540-H615 AromaticContact CE2-CD2 3.57Å; F540-H615 AromaticContact CE2-CE1 3.56Å; F540-H615 AromaticContact CE2-CG 3.89Å; F540-H615 AromaticContact CE2-ND1 3.88Å; F540-H615 AromaticContact CE2-NE2 3.36Å; F540-H615 WeakPolarHBondContact CE2-NE2 2.83Å; F611-H615 PolarHBondContact O-N 2.71Å; K612-H615 PolarHBondContact O-N 3.24Å; K612-H615 VanDerWaalsContact O-N 3.08Å; H615-K648 HydrophobicContact CB-CB 4.05Å; H615-K648 HydrophobicContact CB-CG 4.45Å; H615-K648 CarbonylContact O-C 3.52Å; H615-K648 WeakPolarHBondContact O-CA 3.45Å; H615-W649 CarbonylContact C-O 3.39Å; H615-W649 VanDerWaalsContact CA-O 3.22Å; H615-W649 WeakPolarHBondContact CA-O 3.39Å; H615-W649 VanDerWaalsContact CB-O 3.32Å; H615-W649 WeakPolarHBondContact CB-O 2.82Å; H615-W649 PolarHBondContact O-N 3.29Å |
| 616 | K | 96.9 | Very high | 96.6 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.8 | -165.9 | -175.5 | 177 | -75.1 | -176.8 | 0 | 112.4 | Y610 F611 L614 C625 | Y610-K616 WeakPolarHBondContact CD2-O 3.47Å; F611-K616 PolarHBondContact N-O 2.69Å; F611-K616 PolarHBondContact O-N 3.15Å; L614-K616 HydrophobicContact CB-CB 4Å; L614-K616 PolarHBondContact O-N 3.04Å; K616-C625 VanDerWaalsContact CD-SG 3.52Å |
| 617 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.3 | 163.8 | -75.9 | -93.2 | 0 | 0 | 0 | 109.4 | I537 L579 W608 Q609 Y610 C625 L626 W649 M651 | I537-F617 HydrophobicContact CD1-CZ 4.39Å; I537-F617 HydrophobicContact CG1-CZ 4.39Å; I537-F617 HydrophobicContact CG2-CD2 4.41Å; I537-F617 HydrophobicContact CG2-CE2 3.85Å; I537-F617 HydrophobicContact CG2-CZ 4.35Å; L579-F617 HydrophobicContact CD1-CE1 3.98Å; W608-F617 HydrophobicContact CE3-CB 4.41Å; Q609-F617 WeakPolarHBondContact O-CA 3.37Å; Y610-F617 HydrophobicContact CD1-CZ 4.25Å; Y610-F617 AromaticContact CD2-CD1 3.97Å; Y610-F617 HydrophobicContact CD2-CD1 3.97Å; Y610-F617 AromaticContact CD2-CD2 3.57Å; Y610-F617 HydrophobicContact CD2-CD2 3.57Å; Y610-F617 AromaticContact CD2-CE1 3.7Å; Y610-F617 HydrophobicContact CD2-CE1 3.7Å; Y610-F617 AromaticContact CD2-CE2 3.25Å; Y610-F617 HydrophobicContact CD2-CE2 3.25Å; Y610-F617 AromaticContact CD2-CG 3.91Å; Y610-F617 HydrophobicContact CD2-CG 3.91Å; Y610-F617 AromaticContact CD2-CZ 3.32Å; Y610-F617 HydrophobicContact CD2-CZ 3.32Å; Y610-F617 AromaticContact CE2-CD2 3.92Å; Y610-F617 HydrophobicContact CE2-CD2 3.92Å; Y610-F617 AromaticContact CE2-CE2 3.41Å; Y610-F617 HydrophobicContact CE2-CE2 3.41Å; Y610-F617 VanDerWaalsContact CE2-CE2 3.41Å; Y610-F617 AromaticContact CE2-CZ 3.8Å; Y610-F617 HydrophobicContact CE2-CZ 3.8Å; Y610-F617 HydrophobicContact CG-CD1 4.25Å; Y610-F617 AromaticContact CG-CE1 3.72Å; Y610-F617 HydrophobicContact CG-CE1 3.72Å; Y610-F617 HydrophobicContact CG-CE2 4.03Å; Y610-F617 AromaticContact CG-CZ 3.59Å; Y610-F617 HydrophobicContact CG-CZ 3.59Å; F617-C625 WeakPolarHBondContact O-CA 3.44Å; F617-L626 HydrophobicContact CB-CB 3.73Å; F617-L626 HydrophobicContact CB-CD2 3.88Å; F617-L626 HydrophobicContact CB-CG 4.49Å; F617-L626 HydrophobicContact CD2-CD2 4.23Å; F617-L626 HydrophobicContact CG-CD2 4.12Å; F617-L626 PolarHBondContact O-N 2.76Å; F617-W649 HydrophobicContact CD2-CB 3.82Å; F617-W649 HydrophobicContact CD2-CG 4.19Å; F617-W649 HydrophobicContact CE2-CB 3.99Å; F617-M651 HydrophobicContact CZ-SD 4.07Å |
| 618 | T | 97.8 | Very high | 96.7 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 16% | 0.16 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.2 | 179 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | Q609 I620 | Q609-T618 PolarHBondContact N-O 3.47Å; Q609-T618 PolarHBondContact O-N 2.68Å; T618-I620 PolarHBondContact O-N 2.87Å |
| 619 | H | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 106.7 | 169.2 | 178.2 | -108.2 | 0 | 0 | 0 | 109 | E607 W608 S622 G623 K624 I637 | E607-H619 CarbonylContact O-C 3.58Å; E607-H619 VanDerWaalsContact O-CA 3.3Å; E607-H619 WeakPolarHBondContact O-CA 3.41Å; E607-H619 IonicContact OE1-CD2 2.77Å; E607-H619 IonicContact OE1-NE2 3.57Å; E607-H619 PolarHBondContact OE1-NE2 2.82Å; E607-H619 IonicContact OE2-NE2 3.83Å; W608-H619 HydrophobicContact CE3-CB 4.4Å; W608-H619 HydrophobicContact CH2-CB 4.3Å; W608-H619 HydrophobicContact CZ3-CB 4.07Å; H619-S622 WeakPolarHBondContact ND1-CB 3.3Å; H619-S622 PolarHBondContact ND1-OG 2.71Å; H619-S622 PolarHBondContact O-N 2.05Å; H619-G623 PolarHBondContact O-N 3.47Å; H619-K624 PolarHBondContact N-O 3.43Å; H619-I637 HydrophobicContact CB-CD1 4.34Å; H619-I637 HydrophobicContact CB-CG2 4.39Å |
| 620 | I | 96.5 | Very high | 96.2 | Very high | 75 Ų | 75 | 49 Ų | 49 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -56 | -51.3 | -168.9 | -58.2 | 168.6 | 0 | 0 | 0 | 111.9 | N577 E607 Q609 T618 S622 G623 | N577-I620 HydrophobicContact CB-CD1 3.89Å; E607-I620 PolarHBondContact O-N 3.48Å; Q609-I620 HydrophobicContact CB-CD1 4.27Å; Q609-I620 HydrophobicContact CB-CG1 4.19Å; T618-I620 PolarHBondContact O-N 2.87Å; I620-S622 VanDerWaalsContact C-N 3.29Å; I620-S622 PolarHBondContact O-N 2.67Å; I620-G623 PolarHBondContact O-N 2.87Å |
| 621 | P | 95.1 | Very high | 95.8 | Very high | 96 Ų | 96 | 54.2 Ų | 54.2 | 62% | 0.623 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -63.7 | -30.1 | -174.4 | -23.3 | 34.3 | 0 | 0 | 0 | 114.6 | E607 | E607-P621 HydrophobicContact CB-CG 3.85Š|
| 622 | S | 94.3 | Very high | 95.5 | Very high | 47 Ų | 47 | 55.9 Ų | 55.9 | 33% | 0.329 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -105.2 | -8.2 | -176.9 | 73.6 | 0 | 0 | 0 | 0 | 114.4 | H619 I620 K624 | H619-S622 WeakPolarHBondContact ND1-CB 3.3Å; H619-S622 PolarHBondContact ND1-OG 2.71Å; H619-S622 PolarHBondContact O-N 2.05Å; I620-S622 VanDerWaalsContact C-N 3.29Å; I620-S622 PolarHBondContact O-N 2.67Å; S622-K624 PolarHBondContact O-N 3.11Å; S622-K624 VanDerWaalsContact OG-CB 3.28Å; S622-K624 WeakPolarHBondContact OG-CB 3.39Å; S622-K624 WeakPolarHBondContact OG-CG 3.44Å; S622-K624 PolarHBondContact OG-N 2.79Å |
| 623 | G | 95.2 | Very high | 95.4 | Very high | 48 Ų | 48 | 54.1 Ų | 54.1 | 50% | 0.495 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 20.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H619 I620 C640 | H619-G623 PolarHBondContact O-N 3.47Å; I620-G623 PolarHBondContact O-N 2.87Å; G623-C640 PolarHBondContact O-SG 3.4Å; G623-C640 VanDerWaalsContact O-SG 3.4Å |
| 624 | K | 96.9 | Very high | 95.4 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 156.5 | -179.2 | -71.3 | -177.1 | 179.4 | -178.5 | 0 | 110.3 | H619 S622 I637 S638 C640 | H619-K624 PolarHBondContact N-O 3.43Å; S622-K624 PolarHBondContact O-N 3.11Å; S622-K624 VanDerWaalsContact OG-CB 3.28Å; S622-K624 WeakPolarHBondContact OG-CB 3.39Å; S622-K624 WeakPolarHBondContact OG-CG 3.44Å; S622-K624 PolarHBondContact OG-N 2.79Å; K624-I637 HydrophobicContact CB-CB 4.07Å; K624-I637 HydrophobicContact CB-CD1 4.32Å; K624-I637 HydrophobicContact CB-CG1 4.45Å; K624-I637 HydrophobicContact CD-CB 4.5Å; K624-I637 HydrophobicContact CD-CD1 4.12Å; K624-I637 HydrophobicContact CD-CG1 4.13Å; K624-S638 CarbonylContact C-O 3.57Å; K624-S638 WeakPolarHBondContact CA-O 3.44Å; K624-S638 VanDerWaalsContact CB-O 3.23Å; K624-S638 WeakPolarHBondContact CB-O 3.17Å; K624-C640 VanDerWaalsContact C-SG 3.57Å |
| 625 | C | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 146.6 | 178.3 | -76.1 | 0 | 0 | 0 | 0 | 110.5 | K616 F617 I637 S638 C640 Q647 | K616-C625 VanDerWaalsContact CD-SG 3.52Å; F617-C625 WeakPolarHBondContact O-CA 3.44Å; C625-I637 VanDerWaalsContact O-CA 3.3Å; C625-I637 WeakPolarHBondContact O-CA 3.42Å; C625-S638 PolarHBondContact N-O 3.01Å; C625-S638 PolarHBondContact O-N 2.73Å; C625-C640 HydrophobicContact CB-CB 4.04Å; C625-C640 WeakPolarHBondContact CB-SG 3.35Å; C625-C640 PolarHBondContact N-SG 3.13Å; C625-C640 VanDerWaalsContact SG-CA 3.59Å; C625-C640 WeakPolarHBondContact SG-CB 3.46Å; C625-C640 CovalentContact SG-SG 2.04Å; C625-C640 PolarHBondContact SG-SG 2.88Å; C625-Q647 HydrophobicContact CB-CB 4.44Å; C625-Q647 HydrophobicContact CB-CG 4.29Å |
| 626 | L | 98.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 130.8 | 170 | -168.6 | 64.7 | 0 | 0 | 0 | 109.5 | I546 V595 W608 F617 V635 I637 Q647 W649 | I546-L626 HydrophobicContact CD1-CD2 3.69Å; V595-L626 HydrophobicContact CG2-CD1 3.82Å; W608-L626 HydrophobicContact CH2-CD1 3.83Å; W608-L626 HydrophobicContact CZ3-CB 4.17Å; W608-L626 HydrophobicContact CZ3-CD1 4.08Å; F617-L626 HydrophobicContact CB-CB 3.73Å; F617-L626 HydrophobicContact CB-CD2 3.88Å; F617-L626 HydrophobicContact CB-CG 4.49Å; F617-L626 HydrophobicContact CD2-CD2 4.23Å; F617-L626 HydrophobicContact CG-CD2 4.12Å; F617-L626 PolarHBondContact O-N 2.76Å; L626-V635 HydrophobicContact CD1-CG1 3.77Å; L626-I637 HydrophobicContact CD1-CG2 4.35Å; L626-Q647 WeakPolarHBondContact O-CA 3.5Å; L626-W649 HydrophobicContact CD2-CD2 4.41Å; L626-W649 HydrophobicContact CD2-CZ2 4.39Å; L626-W649 HydrophobicContact CG-CZ2 4.1Å; L626-W649 PolarHBondContact O-NE1 3.13Å |
| 627 | D | 97.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 161.5 | -171.2 | -158 | -8.1 | 0 | 0 | 0 | 109.8 | F636 S638 T646 Q647 | D627-F636 HydrophobicContact CB-CD2 4.02Å; D627-F636 HydrophobicContact CB-CE2 3.67Å; D627-F636 HydrophobicContact CB-CZ 4.05Å; D627-F636 PolarHBondContact N-O 2.63Å; D627-F636 PolarHBondContact O-N 2.86Å; D627-S638 PolarHBondContact OD2-OG 3.49Å; D627-T646 WeakPolarHBondContact OD1-CB 3.23Å; D627-T646 PolarHBondContact OD1-OG1 3.05Å; D627-Q647 HydrophobicContact CB-CG 3.97Å; D627-Q647 PolarHBondContact OD2-NE2 2.62Å |
| 628 | R | 97.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 2% | 0.023 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156 | -177.9 | 67.3 | -177.8 | -179.3 | -90.6 | 3.4 | 113 | G539 L559 E630 Q634 T645 T646 K648 W649 | G539-R628 VanDerWaalsContact CA-CZ 3.49Å; L559-R628 HydrophobicContact CD1-CB 4.49Å; L559-R628 HydrophobicContact CD2-CB 4.26Å; R628-E630 HydrophobicContact CG-CG 4.42Å; R628-E630 IonicContact CZ-OE1 3.55Å; R628-E630 IonicContact NE-OE1 2.92Å; R628-E630 PolarHBondContact NE-OE1 3.49Å; R628-E630 IonicContact NH2-OE1 3.27Å; R628-E630 PolarHBondContact NH2-OE1 2.84Å; R628-Q634 VanDerWaalsContact CA-O 3.27Å; R628-Q634 WeakPolarHBondContact CA-O 3.4Å; R628-T645 PolarHBondContact NH2-O 3.18Å; R628-T646 HydrophobicContact CG-CG2 4.37Å; R628-T646 PolarHBondContact NH1-O 3.19Å; R628-T646 WeakPolarHBondContact O-CB 3.3Å; R628-K648 PolarHBondContact NH1-O 2.77Å; R628-W649 HydrophobicContact CB-CH2 3.66Å; R628-W649 HydrophobicContact CB-CZ2 3.71Å; R628-W649 HydrophobicContact CG-CH2 4Å; R628-W649 HydrophobicContact CG-CZ2 4Å |
| 629 | S | 95.5 | Very high | 95.4 | Very high | 30 Ų | 30 | 49.5 Ų | 49.5 | 21% | 0.21 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 113.2 | 162.2 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | V631 L632 H633 Q634 | S629-V631 VanDerWaalsContact C-N 3.29Å; S629-V631 PolarHBondContact O-N 3.23Å; S629-L632 PolarHBondContact OG-N 3.1Å; S629-H633 WeakPolarHBondContact O-CA 3.44Å; S629-H633 PolarHBondContact O-N 3.24Å; S629-Q634 PolarHBondContact N-O 2.92Å; S629-Q634 PolarHBondContact O-N 2.93Å; S629-Q634 VanDerWaalsContact O-N 3.15Å |
| 630 | E | 90.3 | Very high | 95.4 | Very high | 66 Ų | 66 | 52 Ų | 52 | 31% | 0.308 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -27.3 | -178.2 | -63.2 | -179 | -170 | 0 | 0 | 112.2 | T542 Y544 L559 R628 H633 | T542-E630 WeakPolarHBondContact CG2-OE1 3.2Å; Y544-E630 HydrophobicContact CD2-CB 4.35Å; Y544-E630 HydrophobicContact CD2-CG 4.2Å; Y544-E630 HydrophobicContact CE2-CB 4.33Å; L559-E630 HydrophobicContact CD2-CG 4.23Å; R628-E630 HydrophobicContact CG-CG 4.42Å; R628-E630 IonicContact CZ-OE1 3.55Å; R628-E630 IonicContact NE-OE1 2.92Å; R628-E630 PolarHBondContact NE-OE1 3.49Å; R628-E630 IonicContact NH2-OE1 3.27Å; R628-E630 PolarHBondContact NH2-OE1 2.84Å; E630-H633 PolarHBondContact O-CE1 3.34Å; E630-H633 PolarHBondContact O-ND1 3.1Å |
| 631 | V | 88.4 | Confident | 95.4 | Very high | 129 Ų | 129 | 51.2 Ų | 51.2 | 78% | 0.782 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -38.4 | 178.9 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | S629 | S629-V631 VanDerWaalsContact C-N 3.29Å; S629-V631 PolarHBondContact O-N 3.23Å |
| 632 | L | 90.4 | Very high | 95.2 | Very high | 109 Ų | 109 | 51.5 Ų | 51.5 | 57% | 0.571 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -4.9 | -179.4 | -60.4 | 177.1 | 0 | 0 | 0 | 112.8 | S629 Q634 | S629-L632 PolarHBondContact OG-N 3.1Å; L632-Q634 VanDerWaalsContact C-N 3.25Å; L632-Q634 HydrophobicContact CB-CB 4.39Å; L632-Q634 HydrophobicContact CB-CG 3.97Å; L632-Q634 WeakPolarHBondContact O-CG 3.45Å; L632-Q634 PolarHBondContact O-N 2.82Å |
| 633 | H | 93.5 | Very high | 95.1 | Very high | 73 Ų | 73 | 53.6 Ų | 53.6 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 39.6 | -174.4 | -62 | -52.3 | 0 | 0 | 0 | 113.4 | Y544 L559 S629 E630 | Y544-H633 AromaticContact CE1-CE1 3.46Å; Y544-H633 VanDerWaalsContact CE1-CE1 3.46Å; Y544-H633 WeakPolarHBondContact CE1-CE1 3.47Å; Y544-H633 AromaticContact CE1-ND1 3.65Å; Y544-H633 AromaticContact CZ-CE1 3.81Å; L559-H633 HydrophobicContact CB-CB 4.48Å; L559-H633 PolarHBondContact N-O 2.87Å; L559-H633 WeakPolarHBondContact O-CB 3.49Å; S629-H633 WeakPolarHBondContact O-CA 3.44Å; S629-H633 PolarHBondContact O-N 3.24Å; E630-H633 PolarHBondContact O-CE1 3.34Å; E630-H633 PolarHBondContact O-ND1 3.1Å |
| 634 | Q | 93.8 | Very high | 95.1 | Very high | 90 Ų | 90 | 55.4 Ų | 55.4 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 143.8 | -174.2 | -74.7 | 176.3 | 0 | 0 | 0 | 112.6 | R628 S629 L632 F636 | R628-Q634 VanDerWaalsContact CA-O 3.27Å; R628-Q634 WeakPolarHBondContact CA-O 3.4Å; S629-Q634 PolarHBondContact N-O 2.92Å; S629-Q634 PolarHBondContact O-N 2.93Å; S629-Q634 VanDerWaalsContact O-N 3.15Å; L632-Q634 VanDerWaalsContact C-N 3.25Å; L632-Q634 HydrophobicContact CB-CB 4.39Å; L632-Q634 HydrophobicContact CB-CG 3.97Å; L632-Q634 WeakPolarHBondContact O-CG 3.45Å; L632-Q634 PolarHBondContact O-N 2.82Å; Q634-F636 HydrophobicContact CB-CD1 4.38Å |
| 635 | V | 97 | Very high | 95.1 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.5 | 172.5 | -179 | 0 | 0 | 0 | 0 | 108.8 | I546 V557 L559 V595 L626 | I546-V635 HydrophobicContact CD1-CG1 4.01Å; I546-V635 HydrophobicContact CG1-CG1 4.41Å; I546-V635 HydrophobicContact CG1-CG2 4.06Å; I546-V635 HydrophobicContact CG2-CG2 4.5Å; V557-V635 HydrophobicContact CG2-CB 4.35Å; V557-V635 HydrophobicContact CG2-CG1 4.29Å; L559-V635 HydrophobicContact CB-CG2 4.03Å; L559-V635 HydrophobicContact CD1-CG2 4.28Å; V595-V635 HydrophobicContact CB-CG1 4.42Å; V595-V635 HydrophobicContact CG2-CG1 4.18Å; L626-V635 HydrophobicContact CD1-CG1 3.77Å |
| 636 | F | 97.1 | Very high | 95.1 | Very high | 50 Ų | 50 | 58.6 Ų | 58.6 | 22% | 0.219 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 174.2 | -177.6 | 58.3 | -87.1 | 0 | 0 | 0 | 111.1 | S593 D627 Q634 | S593-F636 CarbonylContact O-C 3.47Å; S593-F636 WeakPolarHBondContact O-CA 3.37Å; S593-F636 VanDerWaalsContact O-CB 3.29Å; S593-F636 WeakPolarHBondContact O-CB 3.48Å; D627-F636 HydrophobicContact CB-CD2 4.02Å; D627-F636 HydrophobicContact CB-CE2 3.67Å; D627-F636 HydrophobicContact CB-CZ 4.05Å; D627-F636 PolarHBondContact N-O 2.63Å; D627-F636 PolarHBondContact O-N 2.86Å; Q634-F636 HydrophobicContact CB-CD1 4.38Å |
| 637 | I | 97.4 | Very high | 95 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.4 | 171.7 | 60.4 | 171.5 | 0 | 0 | 0 | 111 | K588 S593 V595 W608 H619 K624 C625 L626 | K588-I637 HydrophobicContact CB-CD1 4.33Å; K588-I637 HydrophobicContact CD-CD1 3.8Å; K588-I637 HydrophobicContact CG-CD1 3.78Å; S593-I637 WeakPolarHBondContact O-CG1 3.26Å; S593-I637 PolarHBondContact O-N 2.92Å; V595-I637 HydrophobicContact CG2-CG2 4.24Å; W608-I637 HydrophobicContact CH2-CG2 3.62Å; W608-I637 HydrophobicContact CZ3-CG2 4.22Å; H619-I637 HydrophobicContact CB-CD1 4.34Å; H619-I637 HydrophobicContact CB-CG2 4.39Å; K624-I637 HydrophobicContact CB-CB 4.07Å; K624-I637 HydrophobicContact CB-CD1 4.32Å; K624-I637 HydrophobicContact CB-CG1 4.45Å; K624-I637 HydrophobicContact CD-CB 4.5Å; K624-I637 HydrophobicContact CD-CD1 4.12Å; K624-I637 HydrophobicContact CD-CG1 4.13Å; C625-I637 VanDerWaalsContact O-CA 3.3Å; C625-I637 WeakPolarHBondContact O-CA 3.42Å; L626-I637 HydrophobicContact CD1-CG2 4.35Å |
| 638 | S | 96.7 | Very high | 95 | Very high | 20 Ų | 20 | 62 Ų | 62 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 169.7 | 179.2 | 81.4 | 0 | 0 | 0 | 0 | 111.5 | K624 C625 D627 C640 Q647 | K624-S638 CarbonylContact C-O 3.57Å; K624-S638 WeakPolarHBondContact CA-O 3.44Å; K624-S638 VanDerWaalsContact CB-O 3.23Å; K624-S638 WeakPolarHBondContact CB-O 3.17Å; C625-S638 PolarHBondContact N-O 3.01Å; C625-S638 PolarHBondContact O-N 2.73Å; D627-S638 PolarHBondContact OD2-OG 3.49Å; S638-C640 PolarHBondContact O-N 2.9Å; S638-Q647 PolarHBondContact OG-NE2 3.47Å |
| 639 | N | 97.2 | Very high | 95.1 | Very high | 122 Ų | 122 | 61.7 Ų | 61.7 | 65% | 0.652 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 134.2 | 179 | -69.3 | -12 | 0 | 0 | 0 | 110 | D641 Q647 | N639-D641 PolarHBondContact O-N 2.6Å; N639-Q647 PolarHBondContact O-NE2 2.89Å |
| 640 | C | 96.5 | Very high | 95.2 | Very high | 57 Ų | 57 | 62.2 Ų | 62.2 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | trans | -62.5 | 128 | -177 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | G623 K624 C625 S638 | G623-C640 PolarHBondContact O-SG 3.4Å; G623-C640 VanDerWaalsContact O-SG 3.4Å; K624-C640 VanDerWaalsContact C-SG 3.57Å; C625-C640 HydrophobicContact CB-CB 4.04Å; C625-C640 WeakPolarHBondContact CB-SG 3.35Å; C625-C640 PolarHBondContact N-SG 3.13Å; C625-C640 VanDerWaalsContact SG-CA 3.59Å; C625-C640 WeakPolarHBondContact SG-CB 3.46Å; C625-C640 CovalentContact SG-SG 2.04Å; C625-C640 PolarHBondContact SG-SG 2.88Å; S638-C640 PolarHBondContact O-N 2.9Å | ||
| 641 | D | 96.2 | Very high | 95.5 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 32% | 0.316 | 33% | 0.329 | S | S | . | . | trans | -141.1 | 112.8 | 179 | -178 | -14.8 | 0 | 0 | 0 | 108.6 | N639 S643 K644 Q647 | N639-D641 PolarHBondContact O-N 2.6Å; D641-S643 VanDerWaalsContact CG-OG 3.22Å; D641-S643 PolarHBondContact O-N 3.31Å; D641-S643 VanDerWaalsContact OD1-CB 3.31Å; D641-S643 WeakPolarHBondContact OD1-CB 3.27Å; D641-S643 PolarHBondContact OD1-N 3.29Å; D641-S643 PolarHBondContact OD1-OG 3.17Å; D641-S643 PolarHBondContact OD2-OG 3.42Å; D641-K644 HydrophobicContact CB-CB 4.44Å; D641-K644 HydrophobicContact CB-CD 4.03Å; D641-K644 HydrophobicContact CB-CG 3.99Å; D641-K644 PolarHBondContact O-N 3.11Å; D641-Q647 PolarHBondContact O-OE1 3.44Å | ||
| 642 | S | 91.6 | Very high | 95.8 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 71% | 0.713 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.5 | -178.2 | 49.3 | 0 | 0 | 0 | 0 | 114 | ||
| 643 | S | 93.3 | Very high | 96 | Very high | 91 Ų | 91 | 53.9 Ų | 53.9 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -23.5 | 176.6 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | D641 T645 | D641-S643 VanDerWaalsContact CG-OG 3.22Å; D641-S643 PolarHBondContact O-N 3.31Å; D641-S643 VanDerWaalsContact OD1-CB 3.31Å; D641-S643 WeakPolarHBondContact OD1-CB 3.27Å; D641-S643 PolarHBondContact OD1-N 3.29Å; D641-S643 PolarHBondContact OD1-OG 3.17Å; D641-S643 PolarHBondContact OD2-OG 3.42Å; S643-T645 PolarHBondContact O-N 3.08Å |
| 644 | K | 95.3 | Very high | 95.6 | Very high | 86 Ų | 86 | 51 Ų | 51 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | trans | -77.4 | 114.3 | -178.4 | -71.5 | -174.2 | -179.5 | -178.2 | 0 | 111.7 | D641 T646 Q647 | D641-K644 HydrophobicContact CB-CB 4.44Å; D641-K644 HydrophobicContact CB-CD 4.03Å; D641-K644 HydrophobicContact CB-CG 3.99Å; D641-K644 PolarHBondContact O-N 3.11Å; K644-T646 PolarHBondContact O-N 3.16Å; K644-Q647 HydrophobicContact CB-CB 4.44Å; K644-Q647 HydrophobicContact CB-CG 4.1Å; K644-Q647 HydrophobicContact CD-CG 4.46Å; K644-Q647 PolarHBondContact O-N 3.02Å | ||
| 645 | T | 95.6 | Very high | 94.7 | Very high | 89 Ų | 89 | 52 Ų | 52 | 55% | 0.546 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -65.7 | -26.5 | 171.1 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | R628 S643 Q647 K648 | R628-T645 PolarHBondContact NH2-O 3.18Å; S643-T645 PolarHBondContact O-N 3.08Å; T645-Q647 PolarHBondContact O-N 2.95Å; T645-K648 WeakPolarHBondContact O-CB 3.34Å; T645-K648 PolarHBondContact O-N 2.73Å |
| 646 | T | 97.1 | Very high | 93.1 | Very high | 36 Ų | 36 | 54 Ų | 54 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -66.5 | -19.6 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | D627 R628 K644 | D627-T646 WeakPolarHBondContact OD1-CB 3.23Å; D627-T646 PolarHBondContact OD1-OG1 3.05Å; R628-T646 HydrophobicContact CG-CG2 4.37Å; R628-T646 PolarHBondContact NH1-O 3.19Å; R628-T646 WeakPolarHBondContact O-CB 3.3Å; K644-T646 PolarHBondContact O-N 3.16Å |
| 647 | Q | 97.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -91.3 | 1 | 174 | -64.2 | -173.8 | -0.6 | 0 | 0 | 113.7 | C625 L626 D627 S638 N639 D641 K644 T645 W649 | C625-Q647 HydrophobicContact CB-CB 4.44Å; C625-Q647 HydrophobicContact CB-CG 4.29Å; L626-Q647 WeakPolarHBondContact O-CA 3.5Å; D627-Q647 HydrophobicContact CB-CG 3.97Å; D627-Q647 PolarHBondContact OD2-NE2 2.62Å; S638-Q647 PolarHBondContact OG-NE2 3.47Å; N639-Q647 PolarHBondContact O-NE2 2.89Å; D641-Q647 PolarHBondContact O-OE1 3.44Å; K644-Q647 HydrophobicContact CB-CB 4.44Å; K644-Q647 HydrophobicContact CB-CG 4.1Å; K644-Q647 HydrophobicContact CD-CG 4.46Å; K644-Q647 PolarHBondContact O-N 3.02Å; T645-Q647 PolarHBondContact O-N 2.95Å; Q647-W649 VanDerWaalsContact O-CD1 3.32Å |
| 648 | K | 98 | Very high | 90.5 | Very high | 74 Ų | 74 | 62.2 Ų | 62.2 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | trans | -95.3 | 129.4 | 176.9 | -63.3 | -177.3 | -177.8 | 178.9 | 0 | 110.8 | F540 H615 R628 T645 | F540-K648 HydrophobicContact CB-CB 3.47Å; F540-K648 VanDerWaalsContact CB-CB 3.47Å; F540-K648 WeakPolarHBondContact CB-O 3.44Å; F540-K648 HydrophobicContact CD1-CB 4.3Å; F540-K648 HydrophobicContact CD1-CD 4.18Å; F540-K648 HydrophobicContact CG-CB 4.01Å; F540-K648 PolarHBondContact N-O 2.79Å; H615-K648 HydrophobicContact CB-CB 4.05Å; H615-K648 HydrophobicContact CB-CG 4.45Å; H615-K648 CarbonylContact O-C 3.52Å; H615-K648 WeakPolarHBondContact O-CA 3.45Å; R628-K648 PolarHBondContact NH1-O 2.77Å; T645-K648 WeakPolarHBondContact O-CB 3.34Å; T645-K648 PolarHBondContact O-N 2.73Å | ||
| 649 | W | 98.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 144 | -174.6 | -57.8 | 92.6 | 0 | 0 | 0 | 112 | I537 R538 I546 L559 H615 F617 L626 R628 Q647 | I537-W649 HydrophobicContact CG2-CB 4.3Å; I537-W649 HydrophobicContact CG2-CD2 4.23Å; I537-W649 HydrophobicContact CG2-CE3 3.79Å; I537-W649 HydrophobicContact CG2-CG 4.47Å; I537-W649 HydrophobicContact CG2-CZ3 4.44Å; R538-W649 CarbonylContact O-C 3.55Å; R538-W649 VanDerWaalsContact O-CA 3.3Å; R538-W649 WeakPolarHBondContact O-CA 3.49Å; I546-W649 HydrophobicContact CD1-CE3 4.49Å; I546-W649 HydrophobicContact CD1-CH2 4.1Å; I546-W649 HydrophobicContact CD1-CZ3 4.07Å; I546-W649 HydrophobicContact CG1-CE3 4.48Å; I546-W649 HydrophobicContact CG1-CH2 3.94Å; I546-W649 HydrophobicContact CG1-CZ3 3.74Å; L559-W649 HydrophobicContact CD1-CH2 4.01Å; L559-W649 HydrophobicContact CD1-CZ3 4.13Å; H615-W649 CarbonylContact C-O 3.39Å; H615-W649 VanDerWaalsContact CA-O 3.22Å; H615-W649 WeakPolarHBondContact CA-O 3.39Å; H615-W649 VanDerWaalsContact CB-O 3.32Å; H615-W649 WeakPolarHBondContact CB-O 2.82Å; H615-W649 PolarHBondContact O-N 3.29Å; F617-W649 HydrophobicContact CD2-CB 3.82Å; F617-W649 HydrophobicContact CD2-CG 4.19Å; F617-W649 HydrophobicContact CE2-CB 3.99Å; L626-W649 HydrophobicContact CD2-CD2 4.41Å; L626-W649 HydrophobicContact CD2-CZ2 4.39Å; L626-W649 HydrophobicContact CG-CZ2 4.1Å; L626-W649 PolarHBondContact O-NE1 3.13Å; R628-W649 HydrophobicContact CB-CH2 3.66Å; R628-W649 HydrophobicContact CB-CZ2 3.71Å; R628-W649 HydrophobicContact CG-CH2 4Å; R628-W649 HydrophobicContact CG-CZ2 4Å; Q647-W649 VanDerWaalsContact O-CD1 3.32Å |
| 650 | E | 97.3 | Very high | 89.7 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 19% | 0.187 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 139.7 | 172.8 | -60.1 | 169 | -153.4 | 0 | 0 | 109.1 | R538 F540 E541 N652 | R538-E650 PolarHBondContact N-O 3.18Å; R538-E650 PolarHBondContact O-N 3.11Å; F540-E650 WeakPolarHBondContact CA-OE1 3.46Å; F540-E650 HydrophobicContact CB-CG 4.42Å; F540-E650 HydrophobicContact CD2-CG 3.63Å; F540-E650 WeakPolarHBondContact CD2-OE1 3.21Å; F540-E650 HydrophobicContact CE2-CG 4.41Å; F540-E650 HydrophobicContact CG-CG 4.5Å; E541-E650 PolarHBondContact N-OE1 2.77Å; E650-N652 PolarHBondContact OE2-ND2 3Å; E650-N652 VanDerWaalsContact OE2-ND2 3.12Å |
| 651 | M | 97.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 110.8 | 169 | -154.9 | 169.7 | -164.6 | 0 | 0 | 108.4 | D533 E536 I537 F571 I573 Y610 F617 | D533-M651 HydrophobicContact CB-SD 3.89Å; E536-M651 WeakPolarHBondContact O-CA 2.9Å; I537-M651 HydrophobicContact CG1-CE 4.13Å; F571-M651 HydrophobicContact CB-CE 4.06Å; F571-M651 VanDerWaalsContact O-CE 3.22Å; F571-M651 WeakPolarHBondContact O-CE 3.49Å; I573-M651 HydrophobicContact CG2-CE 4.4Å; I573-M651 HydrophobicContact CG2-SD 3.79Å; Y610-M651 HydrophobicContact CE1-CB 3.79Å; Y610-M651 PolarHBondContact OH-N 3.36Å; F617-M651 HydrophobicContact CZ-SD 4.07Å |
| 652 | N | 95.4 | Very high | 88.9 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 28% | 0.283 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121 | -171.5 | -66.9 | -39.4 | 0 | 0 | 0 | 110 | G535 E536 E650 I654 | G535-N652 CarbonylContact C-O 3.59Å; G535-N652 WeakPolarHBondContact CA-O 3.4Å; E536-N652 HydrophobicContact CG-CB 4.01Å; E536-N652 PolarHBondContact N-O 2.92Å; E536-N652 PolarHBondContact O-N 3.37Å; E536-N652 VanDerWaalsContact O-N 3.09Å; E650-N652 PolarHBondContact OE2-ND2 3Å; E650-N652 VanDerWaalsContact OE2-ND2 3.12Å; N652-I654 PolarHBondContact O-N 3.46Å |
| 653 | N | 93.8 | Very high | 88.7 | Confident | 73 Ų | 73 | 58.9 Ų | 58.9 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | trans | -60.9 | 130.4 | -178.9 | -50.9 | 128.8 | 0 | 0 | 0 | 110.2 | D533 W534 | D533-N653 PolarHBondContact OD1-ND2 3.35Å; W534-N653 HydrophobicContact CD2-CB 4.43Å; W534-N653 HydrophobicContact CH2-CB 3.91Å; W534-N653 HydrophobicContact CZ2-CB 3.71Å; W534-N653 HydrophobicContact CZ3-CB 4.35Å; W534-N653 PolarHBondContact NE1-ND2 3.09Å; W534-N653 PolarHBondContact O-ND2 3.26Å | ||
| 654 | I | 85.3 | Confident | 88.4 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | trans | -98.1 | 109.5 | 176.2 | -58.8 | 175.3 | 0 | 0 | 0 | 107.4 | W534 E536 R564 L570 N652 | W534-I654 VanDerWaalsContact CH2-O 3.31Å; W534-I654 WeakPolarHBondContact CH2-O 3.2Å; W534-I654 WeakPolarHBondContact CZ3-O 3.44Å; E536-I654 HydrophobicContact CB-CD1 3.93Å; E536-I654 HydrophobicContact CB-CG1 4.38Å; E536-I654 HydrophobicContact CG-CD1 4.17Å; E536-I654 HydrophobicContact CG-CG1 4.12Å; R564-I654 VanDerWaalsContact O-CG2 3.31Å; R564-I654 WeakPolarHBondContact O-CG2 3.49Å; L570-I654 HydrophobicContact CD1-CB 4.29Å; L570-I654 HydrophobicContact CD1-CD1 4.08Å; L570-I654 HydrophobicContact CD1-CG1 4.41Å; N652-I654 PolarHBondContact O-N 3.46Å | ||
| 655 | H | 75.3 | Confident | 87.9 | Confident | 111 Ų | 111 | 54.4 Ų | 54.4 | 51% | 0.514 | 30% | 0.299 | S | S | . | . | trans | -92.8 | 105.5 | 175.3 | -68.3 | -155.7 | 0 | 0 | 0 | 107.3 | V657 | H655-V657 PolarHBondContact O-N 3.3Š| ||
| 656 | S | 63.2 | Low | 87.2 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | trans | -69.4 | 98.8 | 172.1 | 59.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 657 | V | 48.1 | Very low | 86.3 | Confident | 163 Ų | 163 | 52.9 Ų | 52.9 | 99% | 0.988 | 28% | 0.284 | S | S | * | . | trans | -81.8 | 0 | 172.2 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | H655 | H655-V657 PolarHBondContact O-N 3.3Š|
Retrieved 657 of 657 residues in 3524.3 ms
(Link to these results)