| 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 | 55.9 | Low | 69.1 | Low | 210 Ų | 210 | 118.7 Ų | 118.7 | 100% | 1.034 | 64% | 0.64 | S | S | * | * | 0 | -15 | 0 | -97.1 | 170.8 | 112.2 | 0 | 0 | 114.6 | |||||
| 2 | T | 66.8 | Low | 68.3 | Low | 109 Ų | 109 | 117.3 Ų | 117.3 | 67% | 0.669 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76 | -36 | 179.2 | 29 | 0 | 0 | 0 | 0 | 114.3 | V4 K5 H6 | T2-V4 PolarHBondContact O-N 3.47Å; T2-K5 PolarHBondContact O-N 3.4Å; T2-H6 PolarHBondContact O-CD2 3.47Å; T2-H6 PolarHBondContact O-N 3.32Å |
| 3 | A | 68.5 | Low | 67.4 | Low | 72 Ų | 72 | 119.2 Ų | 119.2 | 60% | 0.595 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.3 | -38.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K5 H6 V7 | A3-K5 VanDerWaalsContact C-N 3.32Å; A3-K5 PolarHBondContact O-N 3.46Å; A3-H6 PolarHBondContact O-N 3.39Å; A3-V7 WeakPolarHBondContact O-CG2 3.43Å; A3-V7 PolarHBondContact O-N 2.91Å |
| 4 | V | 74.5 | Confident | 66.6 | Low | 107 Ų | 107 | 115.9 Ų | 115.9 | 65% | 0.648 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.9 | -34 | 179.8 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | T2 L8 | T2-V4 PolarHBondContact O-N 3.47Å; V4-L8 PolarHBondContact O-N 3.36Å; V4-L8 VanDerWaalsContact O-N 3.12Å |
| 5 | K | 73.1 | Confident | 65.8 | Low | 157 Ų | 157 | 114.9 Ų | 114.9 | 68% | 0.683 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.8 | -38.9 | 176.9 | -70.7 | -173.6 | 175.6 | -174.9 | 0 | 112.1 | T2 A3 L9 | T2-K5 PolarHBondContact O-N 3.4Å; A3-K5 VanDerWaalsContact C-N 3.32Å; A3-K5 PolarHBondContact O-N 3.46Å; K5-L9 WeakPolarHBondContact O-CB 3.19Å; K5-L9 PolarHBondContact O-N 3.13Å |
| 6 | H | 73.2 | Confident | 64.8 | Low | 127 Ų | 127 | 114.4 Ų | 114.4 | 59% | 0.588 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.3 | -39.5 | 177.9 | -72.5 | -59.2 | 0 | 0 | 0 | 112.5 | T2 A3 L9 C10 | T2-H6 PolarHBondContact O-CD2 3.47Å; T2-H6 PolarHBondContact O-N 3.32Å; A3-H6 PolarHBondContact O-N 3.39Å; H6-L9 PolarHBondContact O-N 2.92Å; H6-C10 WeakPolarHBondContact O-CB 3.41Å; H6-C10 PolarHBondContact O-N 2.95Å; H6-C10 PolarHBondContact O-SG 2.81Å |
| 7 | V | 75.3 | Confident | 63.9 | Low | 87 Ų | 87 | 112.9 Ų | 112.9 | 53% | 0.527 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.6 | -42.1 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | A3 C10 F11 | A3-V7 WeakPolarHBondContact O-CG2 3.43Å; A3-V7 PolarHBondContact O-N 2.91Å; V7-C10 PolarHBondContact O-N 3.25Å; V7-F11 HydrophobicContact CG1-CD2 4.09Å; V7-F11 HydrophobicContact CG1-CE2 4.44Å; V7-F11 PolarHBondContact O-N 2.91Å |
| 8 | L | 72.4 | Confident | 62.8 | Low | 111 Ų | 111 | 114.9 Ų | 114.9 | 58% | 0.581 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.5 | -38.3 | 178.4 | -145.4 | 100.3 | 0 | 0 | 0 | 112.2 | V4 F11 L12 | V4-L8 PolarHBondContact O-N 3.36Å; V4-L8 VanDerWaalsContact O-N 3.12Å; L8-F11 PolarHBondContact O-N 3.31Å; L8-L12 HydrophobicContact CD2-CD1 4.34Å; L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 PolarHBondContact O-N 3.39Å |
| 9 | L | 71 | Confident | 61.6 | Low | 103 Ų | 103 | 110 Ų | 110 | 54% | 0.539 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.8 | -40.4 | 176.9 | -159 | 86.3 | 0 | 0 | 0 | 111.6 | K5 H6 L12 F13 | K5-L9 WeakPolarHBondContact O-CB 3.19Å; K5-L9 PolarHBondContact O-N 3.13Å; H6-L9 PolarHBondContact O-N 2.92Å; L9-L12 PolarHBondContact O-N 3.27Å; L9-F13 WeakPolarHBondContact O-CB 3.27Å; L9-F13 PolarHBondContact O-N 3.42Å |
| 10 | C | 66.3 | Low | 60.7 | Low | 81 Ų | 81 | 110.2 Ų | 110.2 | 55% | 0.547 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.6 | -38.9 | 174.2 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | H6 V7 F13 S14 | H6-C10 WeakPolarHBondContact O-CB 3.41Å; H6-C10 PolarHBondContact O-N 2.95Å; H6-C10 PolarHBondContact O-SG 2.81Å; V7-C10 PolarHBondContact O-N 3.25Å; C10-F13 PolarHBondContact O-N 3.07Å; C10-S14 WeakPolarHBondContact O-CB 3.22Å; C10-S14 PolarHBondContact O-N 2.85Å |
| 11 | F | 62.8 | Low | 60.1 | Low | 142 Ų | 142 | 108.6 Ų | 108.6 | 62% | 0.623 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.4 | -42.3 | 173.9 | -103.9 | -84.2 | 0 | 0 | 0 | 111.9 | V7 L8 F13 S14 V15 | V7-F11 HydrophobicContact CG1-CD2 4.09Å; V7-F11 HydrophobicContact CG1-CE2 4.44Å; V7-F11 PolarHBondContact O-N 2.91Å; L8-F11 PolarHBondContact O-N 3.31Å; F11-F13 VanDerWaalsContact C-N 3.34Å; F11-F13 PolarHBondContact O-N 2.76Å; F11-S14 PolarHBondContact O-N 3.45Å; F11-V15 WeakPolarHBondContact O-CB 3.3Å; F11-V15 WeakPolarHBondContact O-CG2 3.35Å; F11-V15 PolarHBondContact O-N 3.44Å |
| 12 | L | 59.9 | Low | 60.1 | Low | 101 Ų | 101 | 99.2 Ų | 99.2 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.5 | -41.9 | 173 | -83.4 | 157.7 | 0 | 0 | 0 | 111.4 | L8 L9 V16 | L8-L12 HydrophobicContact CD2-CD1 4.34Å; L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 3.27Å; L12-V16 VanDerWaalsContact O-CB 3.28Å; L12-V16 WeakPolarHBondContact O-CB 3.39Å; L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.26Å |
| 13 | F | 56.1 | Low | 60 | Low | 142 Ų | 142 | 99.7 Ų | 99.7 | 62% | 0.623 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.2 | -40.8 | 176.6 | -111.8 | -87.8 | 0 | 0 | 0 | 112.9 | L9 C10 F11 S17 | L9-F13 WeakPolarHBondContact O-CB 3.27Å; L9-F13 PolarHBondContact O-N 3.42Å; C10-F13 PolarHBondContact O-N 3.07Å; F11-F13 VanDerWaalsContact C-N 3.34Å; F11-F13 PolarHBondContact O-N 2.76Å; F13-S17 VanDerWaalsContact O-CB 3.24Å; F13-S17 WeakPolarHBondContact O-CB 3.39Å; F13-S17 PolarHBondContact O-N 3.4Å; F13-S17 PolarHBondContact O-OG 2.91Å |
| 14 | S | 56.4 | Low | 60 | Low | 74 Ų | 74 | 99.8 Ų | 99.8 | 52% | 0.517 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.7 | -38.9 | 176.1 | -88.4 | 0 | 0 | 0 | 0 | 112.3 | C10 F11 S17 L18 | C10-S14 WeakPolarHBondContact O-CB 3.22Å; C10-S14 PolarHBondContact O-N 2.85Å; F11-S14 PolarHBondContact O-N 3.45Å; S14-S17 PolarHBondContact O-N 3.38Å; S14-L18 VanDerWaalsContact O-CD1 3.28Å; S14-L18 WeakPolarHBondContact O-CD1 3.36Å; S14-L18 PolarHBondContact O-N 2.95Å |
| 15 | V | 54.6 | Low | 60.2 | Low | 100 Ų | 100 | 98.6 Ų | 98.6 | 61% | 0.606 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.9 | -36.1 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 111 | F11 L18 | F11-V15 WeakPolarHBondContact O-CB 3.3Å; F11-V15 WeakPolarHBondContact O-CG2 3.35Å; F11-V15 PolarHBondContact O-N 3.44Å; V15-L18 PolarHBondContact O-N 3.49Å |
| 16 | V | 49.9 | Very low | 60.3 | Low | 108 Ų | 108 | 96.4 Ų | 96.4 | 66% | 0.655 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.7 | -30.6 | 173.8 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | L12 L18 G19 | L12-V16 VanDerWaalsContact O-CB 3.28Å; L12-V16 WeakPolarHBondContact O-CB 3.39Å; L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.26Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-G19 PolarHBondContact O-N 2.97Å; V16-G19 VanDerWaalsContact O-N 3.16Å |
| 17 | S | 49 | Very low | 60.5 | Low | 89 Ų | 89 | 91.4 Ų | 91.4 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -81.7 | -8.7 | 176.1 | -52.8 | 0 | 0 | 0 | 0 | 113.8 | F13 S14 G19 | F13-S17 VanDerWaalsContact O-CB 3.24Å; F13-S17 WeakPolarHBondContact O-CB 3.39Å; F13-S17 PolarHBondContact O-N 3.4Å; F13-S17 PolarHBondContact O-OG 2.91Å; S14-S17 PolarHBondContact O-N 3.38Å; S17-G19 PolarHBondContact O-N 3.32Å |
| 18 | L | 45.2 | Very low | 60.5 | Low | 149 Ų | 149 | 91.1 Ų | 91.1 | 78% | 0.78 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 10.8 | 160.3 | -101.5 | 95.2 | 0 | 0 | 0 | 112.2 | S14 V15 V16 L20 | S14-L18 VanDerWaalsContact O-CD1 3.28Å; S14-L18 WeakPolarHBondContact O-CD1 3.36Å; S14-L18 PolarHBondContact O-N 2.95Å; V15-L18 PolarHBondContact O-N 3.49Å; V16-L18 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.48Å; L18-L20 VanDerWaalsContact O-N 3.08Å |
| 19 | G | 40 | Very low | 60.2 | Low | 21 Ų | 21 | 87.4 Ų | 87.4 | 22% | 0.216 | 50% | 0.495 | C | S | . | . | trans | -53.7 | 112.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V16 S17 S21 | V16-G19 PolarHBondContact O-N 2.97Å; V16-G19 VanDerWaalsContact O-N 3.16Å; S17-G19 PolarHBondContact O-N 3.32Å; G19-S21 PolarHBondContact O-N 2.94Å | ||
| 20 | L | 42.9 | Very low | 60 | Low | 113 Ų | 113 | 88.7 Ų | 88.7 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | trans | -15.9 | 96.8 | 166.5 | -68.5 | 94.4 | 0 | 0 | 0 | 113.1 | L18 | L18-L20 PolarHBondContact O-N 3.48Å; L18-L20 VanDerWaalsContact O-N 3.08Å | ||
| 21 | S | 48.8 | Very low | 60.4 | Low | 78 Ų | 78 | 88.8 Ų | 88.8 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | trans | -82.5 | 136.1 | 153.7 | -60.1 | 0 | 0 | 0 | 0 | 106.6 | G19 D23 | G19-S21 PolarHBondContact O-N 2.94Å; S21-D23 PolarHBondContact O-N 2.71Å; S21-D23 VanDerWaalsContact O-N 3.16Å | ||
| 22 | G | 55.1 | Low | 60.8 | Low | 12 Ų | 12 | 82.8 Ų | 82.8 | 12% | 0.124 | 47% | 0.467 | C | S | . | . | trans | -63.6 | 116.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | L24 | G22-L24 PolarHBondContact O-N 3.25Š| ||
| 23 | D | 64.2 | Low | 61.3 | Low | 120 Ų | 120 | 82.7 Ų | 82.7 | 64% | 0.642 | 47% | 0.466 | S | S | * | . | trans | -61.8 | 109.9 | 173 | -84.3 | -21.8 | 0 | 0 | 0 | 108.1 | S21 K25 | S21-D23 PolarHBondContact O-N 2.71Å; S21-D23 VanDerWaalsContact O-N 3.16Å; D23-K25 PolarHBondContact O-N 3.47Å | ||
| 24 | L | 69.6 | Low | 62 | Low | 74 Ų | 74 | 81.2 Ų | 81.2 | 39% | 0.387 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 108.1 | 171.9 | 178.2 | 62.7 | 0 | 0 | 0 | 108.4 | G22 L66 I79 H81 | G22-L24 PolarHBondContact O-N 3.25Å; L24-L66 HydrophobicContact CD1-CD1 3.77Å; L24-L66 HydrophobicContact CD1-CD2 4.16Å; L24-L66 HydrophobicContact CD1-CG 4.21Å; L24-I79 HydrophobicContact CD1-CB 4.37Å; L24-I79 HydrophobicContact CD1-CG2 4.08Å; L24-H81 HydrophobicContact CD1-CB 4.07Å |
| 25 | K | 77.5 | Confident | 62.8 | Low | 82 Ų | 82 | 79.4 Ų | 79.4 | 36% | 0.357 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 113.2 | 178 | -67.3 | 170 | -168.8 | 169.5 | 0 | 108.5 | D23 V27 D78 I79 F80 H81 | D23-K25 PolarHBondContact O-N 3.47Å; K25-V27 HydrophobicContact CB-CG2 3.95Å; K25-V27 WeakPolarHBondContact O-CG2 3.41Å; K25-V27 PolarHBondContact O-N 3.41Å; K25-D78 IonicContact NZ-OD1 3.73Å; K25-D78 IonicContact NZ-OD2 2.73Å; K25-D78 PolarHBondContact NZ-OD2 3.31Å; K25-I79 PolarHBondContact N-O 3.28Å; K25-F80 HydrophobicContact CB-CD1 4.08Å; K25-F80 HydrophobicContact CB-CE1 4.41Å; K25-F80 HydrophobicContact CD-CE1 4.06Å; K25-F80 WeakPolarHBondContact O-CA 3.44Å; K25-H81 PolarHBondContact O-N 3.37Å |
| 26 | T | 75.9 | Confident | 63.8 | Low | 111 Ų | 111 | 79.6 Ų | 79.6 | 68% | 0.681 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 121.6 | 164.4 | 44.8 | 0 | 0 | 0 | 0 | 108.5 | H81 | T26-H81 HydrophobicContact CG2-CB 4.39Å |
| 27 | V | 77.6 | Confident | 65.1 | Low | 22 Ų | 22 | 75.3 Ų | 75.3 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | trans | -125.1 | 142.4 | -169.4 | -178 | 0 | 0 | 0 | 0 | 109.6 | K25 D31 I32 F80 H81 | K25-V27 HydrophobicContact CB-CG2 3.95Å; K25-V27 WeakPolarHBondContact O-CG2 3.41Å; K25-V27 PolarHBondContact O-N 3.41Å; V27-D31 HydrophobicContact CG1-CB 3.2Å; V27-I32 HydrophobicContact CB-CG1 4.23Å; V27-I32 HydrophobicContact CG1-CD1 4.48Å; V27-I32 HydrophobicContact CG1-CG1 3.63Å; V27-F80 HydrophobicContact CG2-CB 4.38Å; V27-F80 HydrophobicContact CG2-CD1 3.51Å; V27-F80 HydrophobicContact CG2-CE1 4.23Å; V27-F80 HydrophobicContact CG2-CG 4.35Å; V27-H81 PolarHBondContact N-O 2.95Å | ||
| 28 | T | 74.9 | Confident | 66.4 | Low | 80 Ų | 80 | 73.8 Ų | 73.8 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | trans | -83.7 | 165.7 | 175.3 | 72.3 | 0 | 0 | 0 | 0 | 111.5 | H30 D31 I32 | T28-H30 VanDerWaalsContact C-N 3.29Å; T28-H30 PolarHBondContact O-N 3.23Å; T28-D31 WeakPolarHBondContact CB-OD2 3.35Å; T28-D31 PolarHBondContact N-OD2 2.99Å; T28-D31 VanDerWaalsContact N-OD2 3.16Å; T28-D31 WeakPolarHBondContact O-CB 3.39Å; T28-D31 PolarHBondContact O-N 3.27Å; T28-D31 VanDerWaalsContact O-N 3.17Å; T28-D31 PolarHBondContact OG1-N 3.33Å; T28-D31 PolarHBondContact OG1-OD2 3.49Å; T28-I32 PolarHBondContact O-N 3.34Å | ||
| 29 | L | 66 | Low | 67.9 | Low | 34 Ų | 34 | 74.4 Ų | 74.4 | 18% | 0.178 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -55.1 | -44.3 | 177.1 | 175.1 | 54.2 | 0 | 0 | 0 | 112.8 | D31 I32 L33 T86 V87 | L29-D31 VanDerWaalsContact C-N 3.28Å; L29-D31 PolarHBondContact O-N 3.33Å; L29-I32 PolarHBondContact O-N 2.93Å; L29-L33 HydrophobicContact CD1-CD1 4.19Å; L29-L33 HydrophobicContact CD1-CG 4.22Å; L29-L33 HydrophobicContact CG-CD1 4.33Å; L29-L33 PolarHBondContact O-N 2.9Å; L29-L33 VanDerWaalsContact O-N 3.15Å; L29-T86 WeakPolarHBondContact CD2-OG1 3.48Å; L29-V87 HydrophobicContact CD1-CB 3.99Å; L29-V87 HydrophobicContact CD1-CG1 3.8Å; L29-V87 HydrophobicContact CD1-CG2 3.26Å; L29-V87 HydrophobicContact CD2-CG2 4.26Å; L29-V87 HydrophobicContact CG-CG2 4.3Å |
| 30 | H | 67.3 | Low | 69.6 | Low | 130 Ų | 130 | 74.5 Ų | 74.5 | 60% | 0.602 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64 | -38.1 | -179 | -167.8 | -34.2 | 0 | 0 | 0 | 111.5 | T28 N34 | T28-H30 VanDerWaalsContact C-N 3.29Å; T28-H30 PolarHBondContact O-N 3.23Å; H30-N34 PolarHBondContact CE1-ND2 3.42Å; H30-N34 PolarHBondContact ND1-ND2 3.3Å; H30-N34 VanDerWaalsContact ND1-ND2 3.13Å; H30-N34 PolarHBondContact O-N 2.88Å |
| 31 | D | 74.6 | Confident | 71.1 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 176.8 | -60 | -40.1 | 0 | 0 | 0 | 110.1 | V27 T28 L29 L33 N34 I35 | V27-D31 HydrophobicContact CG1-CB 3.2Å; T28-D31 WeakPolarHBondContact CB-OD2 3.35Å; T28-D31 PolarHBondContact N-OD2 2.99Å; T28-D31 VanDerWaalsContact N-OD2 3.16Å; T28-D31 WeakPolarHBondContact O-CB 3.39Å; T28-D31 PolarHBondContact O-N 3.27Å; T28-D31 VanDerWaalsContact O-N 3.17Å; T28-D31 PolarHBondContact OG1-N 3.33Å; T28-D31 PolarHBondContact OG1-OD2 3.49Å; L29-D31 VanDerWaalsContact C-N 3.28Å; L29-D31 PolarHBondContact O-N 3.33Å; D31-L33 PolarHBondContact O-N 2.87Å; D31-N34 CarbonylContact O-C 3.59Å; D31-N34 VanDerWaalsContact O-C 3.26Å; D31-N34 PolarHBondContact O-N 3.38Å; D31-I35 VanDerWaalsContact O-CG1 3.32Å; D31-I35 WeakPolarHBondContact O-CG1 3.34Å; D31-I35 PolarHBondContact O-N 2.93Å |
| 32 | I | 71.9 | Confident | 72 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 8% | 0.077 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 179.1 | -70.4 | 172.7 | 0 | 0 | 0 | 112.9 | V27 T28 L29 N34 I35 L49 L82 W89 | V27-I32 HydrophobicContact CB-CG1 4.23Å; V27-I32 HydrophobicContact CG1-CD1 4.48Å; V27-I32 HydrophobicContact CG1-CG1 3.63Å; T28-I32 PolarHBondContact O-N 3.34Å; L29-I32 PolarHBondContact O-N 2.93Å; I32-N34 PolarHBondContact O-N 2.86Å; I32-I35 HydrophobicContact CB-CD1 4.24Å; I32-I35 HydrophobicContact CG1-CD1 4.01Å; I32-I35 HydrophobicContact CG2-CD1 4.45Å; I32-I35 PolarHBondContact O-N 3.23Å; I32-L49 HydrophobicContact CD1-CD1 3.69Å; I32-L49 HydrophobicContact CD1-CD2 4.17Å; I32-L49 HydrophobicContact CG1-CD1 4.48Å; I32-L49 HydrophobicContact CG2-CD2 4.2Å; I32-L82 HydrophobicContact CD1-CB 3.67Å; I32-L82 HydrophobicContact CD1-CD1 3.55Å; I32-L82 HydrophobicContact CD1-CD2 3.57Å; I32-L82 HydrophobicContact CD1-CG 3.75Å; I32-W89 HydrophobicContact CG2-CZ2 4.39Å |
| 33 | L | 70 | Confident | 72.7 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 52% | 0.518 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.7 | -25.9 | 179.4 | -68 | 172.2 | 0 | 0 | 0 | 112.2 | L29 D31 | L29-L33 HydrophobicContact CD1-CD1 4.19Å; L29-L33 HydrophobicContact CD1-CG 4.22Å; L29-L33 HydrophobicContact CG-CD1 4.33Å; L29-L33 PolarHBondContact O-N 2.9Å; L29-L33 VanDerWaalsContact O-N 3.15Å; D31-L33 PolarHBondContact O-N 2.87Å |
| 34 | N | 71.7 | Confident | 73.3 | Confident | 112 Ų | 112 | 73.3 Ų | 73.3 | 60% | 0.599 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 13.2 | -179.5 | -67.2 | -18.7 | 0 | 0 | 0 | 113.4 | H30 D31 I32 D36 | H30-N34 PolarHBondContact CE1-ND2 3.42Å; H30-N34 PolarHBondContact ND1-ND2 3.3Å; H30-N34 VanDerWaalsContact ND1-ND2 3.13Å; H30-N34 PolarHBondContact O-N 2.88Å; D31-N34 CarbonylContact O-C 3.59Å; D31-N34 VanDerWaalsContact O-C 3.26Å; D31-N34 PolarHBondContact O-N 3.38Å; I32-N34 PolarHBondContact O-N 2.86Å; N34-D36 PolarHBondContact O-N 3.03Å; N34-D36 VanDerWaalsContact O-N 3.07Å |
| 35 | I | 72.8 | Confident | 73.8 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 18% | 0.179 | 40% | 0.403 | C | S | . | . | trans | -60.1 | 122 | 176.6 | -71 | 168.4 | 0 | 0 | 0 | 107.2 | D31 I32 L37 F80 | D31-I35 VanDerWaalsContact O-CG1 3.32Å; D31-I35 WeakPolarHBondContact O-CG1 3.34Å; D31-I35 PolarHBondContact O-N 2.93Å; I32-I35 HydrophobicContact CB-CD1 4.24Å; I32-I35 HydrophobicContact CG1-CD1 4.01Å; I32-I35 HydrophobicContact CG2-CD1 4.45Å; I32-I35 PolarHBondContact O-N 3.23Å; I35-L37 VanDerWaalsContact C-N 3.3Å; I35-L37 HydrophobicContact CB-CD2 4.36Å; I35-L37 HydrophobicContact CB-CG 4.31Å; I35-L37 HydrophobicContact CG2-CD2 3.47Å; I35-L37 VanDerWaalsContact CG2-CD2 3.47Å; I35-L37 HydrophobicContact CG2-CG 3.79Å; I35-L37 PolarHBondContact O-N 3.36Å; I35-F80 HydrophobicContact CD1-CD1 4.23Å; I35-F80 HydrophobicContact CD1-CD2 3.97Å; I35-F80 HydrophobicContact CD1-CE1 4.19Å; I35-F80 HydrophobicContact CD1-CE2 3.94Å; I35-F80 HydrophobicContact CD1-CG 4.1Å; I35-F80 HydrophobicContact CD1-CZ 4.05Å; I35-F80 HydrophobicContact CG2-CE2 4.27Å; I35-F80 HydrophobicContact CG2-CZ 4.07Å | ||
| 36 | D | 75.1 | Confident | 74 | Confident | 105 Ų | 105 | 69.6 Ų | 69.6 | 56% | 0.561 | 39% | 0.387 | S | S | * | . | trans | -69.2 | 92 | 168.3 | -179.4 | 15.9 | 0 | 0 | 0 | 109.1 | N34 S38 | N34-D36 PolarHBondContact O-N 3.03Å; N34-D36 VanDerWaalsContact O-N 3.07Å; D36-S38 PolarHBondContact O-N 3.2Å; D36-S38 WeakPolarHBondContact OD1-CB 3.3Å; D36-S38 PolarHBondContact OD1-N 3.22Å; D36-S38 VanDerWaalsContact OD1-N 3.08Å; D36-S38 PolarHBondContact OD1-OG 2.99Å; D36-S38 PolarHBondContact OD2-OG 2.98Å | ||
| 37 | L | 77.3 | Confident | 74.6 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 9% | 0.094 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -83 | 6.1 | 176.9 | -64.7 | 172.1 | 0 | 0 | 0 | 112.3 | I35 K39 Y40 L101 N102 N103 | I35-L37 VanDerWaalsContact C-N 3.3Å; I35-L37 HydrophobicContact CB-CD2 4.36Å; I35-L37 HydrophobicContact CB-CG 4.31Å; I35-L37 HydrophobicContact CG2-CD2 3.47Å; I35-L37 VanDerWaalsContact CG2-CD2 3.47Å; I35-L37 HydrophobicContact CG2-CG 3.79Å; I35-L37 PolarHBondContact O-N 3.36Å; L37-K39 PolarHBondContact O-N 2.89Å; L37-K39 VanDerWaalsContact O-N 3.12Å; L37-Y40 HydrophobicContact CB-CD2 4.34Å; L37-Y40 HydrophobicContact CD2-CD2 3.64Å; L37-Y40 HydrophobicContact CD2-CE2 4.06Å; L37-Y40 PolarHBondContact O-N 3.5Å; L37-L101 HydrophobicContact CD1-CB 4.37Å; L37-L101 HydrophobicContact CD2-CB 4.16Å; L37-N102 WeakPolarHBondContact CD1-O 3.48Å; L37-N103 WeakPolarHBondContact O-CB 3.4Å |
| 38 | S | 75.4 | Confident | 75.2 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 40% | 0.399 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -58.7 | -27.5 | -178.2 | 65.1 | 0 | 0 | 0 | 0 | 113.6 | D36 Y40 | D36-S38 PolarHBondContact O-N 3.2Å; D36-S38 WeakPolarHBondContact OD1-CB 3.3Å; D36-S38 PolarHBondContact OD1-N 3.22Å; D36-S38 VanDerWaalsContact OD1-N 3.08Å; D36-S38 PolarHBondContact OD1-OG 2.99Å; D36-S38 PolarHBondContact OD2-OG 2.98Å; S38-Y40 PolarHBondContact O-N 2.84Å |
| 39 | K | 77.3 | Confident | 75.9 | Confident | 162 Ų | 162 | 59.5 Ų | 59.5 | 70% | 0.704 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -69.1 | -20.3 | 175.2 | -62.7 | -177.9 | -175.2 | 174.9 | 0 | 113.3 | L37 | L37-K39 PolarHBondContact O-N 2.89Å; L37-K39 VanDerWaalsContact O-N 3.12Å |
| 40 | Y | 76.9 | Confident | 77 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 9% | 0.086 | 32% | 0.316 | C | S | . | . | trans | -102.8 | 75.1 | -177 | -53.9 | -63.9 | 0 | 0 | 0 | 110.1 | L37 S38 S44 N45 A47 D78 N102 N103 | L37-Y40 HydrophobicContact CB-CD2 4.34Å; L37-Y40 HydrophobicContact CD2-CD2 3.64Å; L37-Y40 HydrophobicContact CD2-CE2 4.06Å; L37-Y40 PolarHBondContact O-N 3.5Å; S38-Y40 PolarHBondContact O-N 2.84Å; Y40-S44 VanDerWaalsContact CA-OG 3.31Å; Y40-S44 WeakPolarHBondContact CA-OG 3.36Å; Y40-N45 WeakPolarHBondContact CD1-O 3.34Å; Y40-A47 HydrophobicContact CD1-CB 4.44Å; Y40-A47 HydrophobicContact CD2-CB 4.02Å; Y40-A47 HydrophobicContact CE1-CB 4.19Å; Y40-A47 HydrophobicContact CE2-CB 3.77Å; Y40-A47 HydrophobicContact CG-CB 4.35Å; Y40-D78 WeakPolarHBondContact OH-CB 3.2Å; Y40-D78 PolarHBondContact OH-OD1 3.09Å; Y40-D78 PolarHBondContact OH-OD2 2.69Å; Y40-D78 VanDerWaalsContact OH-OD2 3.08Å; Y40-N102 WeakPolarHBondContact O-CB 3.28Å; Y40-N103 PolarHBondContact O-N 3.49Å | ||
| 41 | T | 74 | Confident | 78 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 48% | 0.479 | 29% | 0.287 | S | S | . | . | trans | -80 | 166.9 | 174.2 | 60.3 | 0 | 0 | 0 | 0 | 111.6 | G43 S44 | T41-G43 PolarHBondContact O-N 2.95Å; T41-S44 PolarHBondContact N-OG 3.47Å; T41-S44 WeakPolarHBondContact O-CB 3.37Å; T41-S44 PolarHBondContact O-N 2.84Å; T41-S44 PolarHBondContact O-OG 3.13Å | ||
| 42 | E | 67 | Low | 78.5 | Confident | 122 Ų | 122 | 47.7 Ų | 47.7 | 57% | 0.57 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 136.5 | 170.6 | -165.1 | 176.2 | -165.8 | 0 | 0 | 111.1 | S44 | E42-S44 VanDerWaalsContact C-N 3.25Å; E42-S44 PolarHBondContact O-N 3.17Å |
| 43 | G | 69.8 | Low | 79 | Confident | 64 Ų | 64 | 47.2 Ų | 47.2 | 66% | 0.66 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -12 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | T41 | T41-G43 PolarHBondContact O-N 2.95Š|
| 44 | S | 77.2 | Confident | 79.4 | Confident | 34 Ų | 34 | 47.5 Ų | 47.5 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -82.3 | 168.3 | 171.4 | 75.1 | 0 | 0 | 0 | 0 | 111.8 | Y40 T41 E42 A46 T126 | Y40-S44 VanDerWaalsContact CA-OG 3.31Å; Y40-S44 WeakPolarHBondContact CA-OG 3.36Å; T41-S44 PolarHBondContact N-OG 3.47Å; T41-S44 WeakPolarHBondContact O-CB 3.37Å; T41-S44 PolarHBondContact O-N 2.84Å; T41-S44 PolarHBondContact O-OG 3.13Å; E42-S44 VanDerWaalsContact C-N 3.25Å; E42-S44 PolarHBondContact O-N 3.17Å; S44-A46 PolarHBondContact O-N 2.71Å; S44-T126 WeakPolarHBondContact O-CG2 3.18Å |
| 45 | N | 78.9 | Confident | 79.7 | Confident | 77 Ų | 77 | 49.7 Ų | 49.7 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 129.2 | 174.8 | -70.5 | -33 | 0 | 0 | 0 | 109.9 | Y40 S76 | Y40-N45 WeakPolarHBondContact CD1-O 3.34Å; N45-S76 WeakPolarHBondContact ND2-CB 3.31Å |
| 46 | A | 83.7 | Confident | 80 | Confident | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 151.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | S44 Y75 F100 F125 T126 | S44-A46 PolarHBondContact O-N 2.71Å; A46-Y75 PolarHBondContact O-OH 3.29Å; A46-F100 HydrophobicContact CB-CD1 4.35Å; A46-F125 HydrophobicContact CB-CD1 3.49Å; A46-F125 VanDerWaalsContact CB-CD1 3.49Å; A46-F125 HydrophobicContact CB-CE1 3.46Å; A46-F125 VanDerWaalsContact CB-CE1 3.46Å; A46-T126 HydrophobicContact CB-CG2 4.27Å |
| 47 | A | 88.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 146.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110 | Y40 F80 L101 | Y40-A47 HydrophobicContact CD1-CB 4.44Å; Y40-A47 HydrophobicContact CD2-CB 4.02Å; Y40-A47 HydrophobicContact CE1-CB 4.19Å; Y40-A47 HydrophobicContact CE2-CB 3.77Å; Y40-A47 HydrophobicContact CG-CB 4.35Å; A47-F80 HydrophobicContact CB-CD2 4.23Å; A47-F80 HydrophobicContact CB-CE2 3.76Å; A47-L101 HydrophobicContact CB-CB 4.17Å; A47-L101 PolarHBondContact N-O 3.46Å; A47-L101 PolarHBondContact O-N 2.94Å |
| 48 | L | 90.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.7 | 176.5 | -69.9 | 174.5 | 0 | 0 | 0 | 109.7 | F50 I69 Y75 D78 I79 F80 I98 L99 F100 L118 | L48-F50 HydrophobicContact CB-CD2 4.36Å; L48-F50 HydrophobicContact CB-CE2 4.06Å; L48-F50 HydrophobicContact CD1-CE2 4.24Å; L48-I69 HydrophobicContact CD1-CG2 4.12Å; L48-Y75 HydrophobicContact CD1-CE1 4.34Å; L48-Y75 HydrophobicContact CD1-CE2 4.17Å; L48-Y75 HydrophobicContact CG-CE2 4.44Å; L48-Y75 WeakPolarHBondContact CG-OH 3.38Å; L48-Y75 PolarHBondContact N-OH 3.23Å; L48-D78 PolarHBondContact N-O 2.9Å; L48-I79 HydrophobicContact CB-CG2 4.31Å; L48-I79 WeakPolarHBondContact O-CA 3.45Å; L48-F80 PolarHBondContact O-N 3.45Å; L48-I98 HydrophobicContact CD2-CG2 4.42Å; L48-L99 WeakPolarHBondContact CA-O 3.19Å; L48-F100 HydrophobicContact CD2-CD1 3.4Å; L48-F100 HydrophobicContact CD2-CE1 3.39Å; L48-F100 HydrophobicContact CD2-CG 4.38Å; L48-F100 HydrophobicContact CD2-CZ 4.38Å; L48-L118 HydrophobicContact CD1-CD2 4.32Å |
| 49 | L | 89 | Confident | 80.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 115.2 | 170.2 | 171.9 | 64.3 | 0 | 0 | 0 | 109.5 | I32 I51 F80 L82 W89 I98 L99 L101 | I32-L49 HydrophobicContact CD1-CD1 3.69Å; I32-L49 HydrophobicContact CD1-CD2 4.17Å; I32-L49 HydrophobicContact CG1-CD1 4.48Å; I32-L49 HydrophobicContact CG2-CD2 4.2Å; L49-I51 HydrophobicContact CD2-CD1 4.46Å; L49-I51 HydrophobicContact CD2-CG1 4.34Å; L49-I51 HydrophobicContact CG-CG1 4.11Å; L49-F80 WeakPolarHBondContact CA-O 3.37Å; L49-F80 HydrophobicContact CB-CB 4.47Å; L49-F80 HydrophobicContact CD1-CB 3.73Å; L49-L82 HydrophobicContact CD1-CB 3.96Å; L49-W89 HydrophobicContact CD2-CH2 3.82Å; L49-I98 CarbonylContact O-C 3.26Å; L49-I98 WeakPolarHBondContact O-CA 3.23Å; L49-L99 HydrophobicContact CB-CB 4.31Å; L49-L99 PolarHBondContact N-O 2.91Å; L49-L99 PolarHBondContact O-N 2.88Å; L49-L101 HydrophobicContact CB-CD1 3.63Å; L49-L101 HydrophobicContact CB-CG 4.17Å; L49-L101 HydrophobicContact CD2-CD1 4.18Å |
| 50 | F | 89.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.6 | 172.3 | -78.9 | -106.8 | 0 | 0 | 0 | 109.1 | L48 V52 L65 L66 I69 I79 F80 H81 L82 I98 L118 | L48-F50 HydrophobicContact CB-CD2 4.36Å; L48-F50 HydrophobicContact CB-CE2 4.06Å; L48-F50 HydrophobicContact CD1-CE2 4.24Å; F50-V52 HydrophobicContact CB-CG2 4.27Å; F50-L65 HydrophobicContact CE1-CG 4.49Å; F50-L66 HydrophobicContact CB-CD1 4.36Å; F50-L66 HydrophobicContact CB-CD2 4.4Å; F50-L66 HydrophobicContact CD1-CB 3.92Å; F50-L66 HydrophobicContact CD1-CD1 4.15Å; F50-L66 HydrophobicContact CD1-CG 4.46Å; F50-L66 HydrophobicContact CD2-CD1 3.64Å; F50-L66 HydrophobicContact CE1-CB 3.9Å; F50-L66 HydrophobicContact CE1-CD1 4.35Å; F50-L66 HydrophobicContact CE2-CD1 3.87Å; F50-L66 HydrophobicContact CG-CB 4.4Å; F50-L66 HydrophobicContact CG-CD1 3.79Å; F50-L66 HydrophobicContact CG-CD2 4.45Å; F50-L66 HydrophobicContact CG-CG 4.45Å; F50-L66 HydrophobicContact CZ-CB 4.37Å; F50-L66 HydrophobicContact CZ-CD1 4.23Å; F50-I69 HydrophobicContact CZ-CD1 3.77Å; F50-I79 HydrophobicContact CD2-CG2 3.83Å; F50-I79 HydrophobicContact CE2-CG2 4.04Å; F50-F80 PolarHBondContact N-O 3.3Å; F50-H81 WeakPolarHBondContact O-CA 3.3Å; F50-L82 PolarHBondContact O-N 3.26Å; F50-I98 HydrophobicContact CD1-CD1 4.12Å; F50-I98 HydrophobicContact CD1-CG1 3.8Å; F50-I98 HydrophobicContact CD2-CG2 4.49Å; F50-I98 HydrophobicContact CE1-CD1 3.49Å; F50-I98 VanDerWaalsContact CE1-CD1 3.49Å; F50-I98 HydrophobicContact CE1-CG1 3.68Å; F50-I98 HydrophobicContact CE2-CG2 4.2Å; F50-I98 HydrophobicContact CG-CG1 4.4Å; F50-I98 HydrophobicContact CZ-CD1 3.9Å; F50-I98 HydrophobicContact CZ-CG1 4.18Å; F50-I98 HydrophobicContact CZ-CG2 4.2Å; F50-L118 HydrophobicContact CZ-CD2 4.28Å |
| 51 | I | 87.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 103 | 172.6 | -53.5 | 179.9 | 0 | 0 | 0 | 106.9 | L49 L82 W89 V90 A95 P96 A97 L99 | L49-I51 HydrophobicContact CD2-CD1 4.46Å; L49-I51 HydrophobicContact CD2-CG1 4.34Å; L49-I51 HydrophobicContact CG-CG1 4.11Å; I51-L82 WeakPolarHBondContact CA-O 3.4Å; I51-L82 HydrophobicContact CG1-CB 4.48Å; I51-L82 HydrophobicContact CG1-CD2 4.34Å; I51-W89 HydrophobicContact CD1-CH2 4.15Å; I51-W89 HydrophobicContact CD1-CZ3 4.06Å; I51-V90 HydrophobicContact CD1-CB 4.25Å; I51-V90 HydrophobicContact CD1-CG1 3.85Å; I51-V90 HydrophobicContact CD1-CG2 3.36Å; I51-V90 HydrophobicContact CG2-CG1 3.95Å; I51-A95 HydrophobicContact CG2-CB 4.34Å; I51-P96 CarbonylContact O-C 3.6Å; I51-P96 WeakPolarHBondContact O-CA 3.22Å; I51-P96 WeakPolarHBondContact O-CB 3.18Å; I51-A97 PolarHBondContact N-O 3.45Å; I51-A97 PolarHBondContact O-N 2.72Å; I51-L99 HydrophobicContact CD1-CD1 3.47Å; I51-L99 VanDerWaalsContact CD1-CD1 3.47Å; I51-L99 HydrophobicContact CG1-CD1 4.04Å |
| 52 | V | 86.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -130.8 | 100.3 | -177.2 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | F50 C59 H62 K63 L82 | F50-V52 HydrophobicContact CB-CG2 4.27Å; V52-C59 HydrophobicContact CG1-CB 3.76Å; V52-C59 WeakPolarHBondContact CG1-SG 3.44Å; V52-H62 HydrophobicContact CG2-CB 3.85Å; V52-K63 HydrophobicContact CG1-CD 4.5Å; V52-K63 HydrophobicContact CG1-CG 4.04Å; V52-L82 PolarHBondContact N-O 3.1Å | ||
| 53 | P | 82.2 | Confident | 83.2 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | trans | -62.7 | 157.3 | 176.2 | 25.2 | -32.6 | 0 | 0 | 0 | 111.2 | D55 C56 C59 M85 A95 | P53-D55 VanDerWaalsContact C-N 3.33Å; P53-D55 PolarHBondContact O-N 3.24Å; P53-C56 HydrophobicContact CG-CB 3.98Å; P53-C59 PolarHBondContact O-SG 3.43Å; P53-M85 HydrophobicContact CB-CE 3.92Å; P53-M85 HydrophobicContact CB-CG 3.97Å; P53-M85 HydrophobicContact CB-SD 3.65Å; P53-M85 HydrophobicContact CG-CG 4.47Å; P53-M85 HydrophobicContact CG-SD 3.83Å; P53-A95 HydrophobicContact CG-CB 4.41Å | ||
| 54 | D | 79.1 | Confident | 84.2 | Confident | 105 Ų | 105 | 53.1 Ų | 53.1 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -65.7 | -38.8 | -179.2 | -67.3 | -41 | 0 | 0 | 0 | 111.7 | N83 | D54-N83 PolarHBondContact OD1-ND2 3Š|
| 55 | D | 76.3 | Confident | 84.7 | Confident | 157 Ų | 157 | 51.8 Ų | 51.8 | 84% | 0.84 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -106 | 88.4 | -179.3 | -65.8 | -39.9 | 0 | 0 | 0 | 111.7 | P53 | P53-D55 VanDerWaalsContact C-N 3.33Å; P53-D55 PolarHBondContact O-N 3.24Å |
| 56 | C | 80.7 | Confident | 85.1 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 28% | 0.284 | 24% | 0.24 | S | C | . | . | trans | -149.6 | 147 | 167.1 | 96.7 | 0 | 0 | 0 | 0 | 115.3 | P53 N58 C59 | P53-C56 HydrophobicContact CG-CB 3.98Å; C56-N58 PolarHBondContact O-N 2.89Å; C56-C59 HydrophobicContact CB-CB 4.26Å; C56-C59 WeakPolarHBondContact CB-SG 3.43Å; C56-C59 WeakPolarHBondContact O-CB 3.42Å; C56-C59 PolarHBondContact O-N 3.29Å; C56-C59 WeakPolarHBondContact SG-CA 3.33Å; C56-C59 WeakPolarHBondContact SG-CB 3.49Å; C56-C59 PolarHBondContact SG-N 3.45Å; C56-C59 CovalentContact SG-SG 2.01Å; C56-C59 PolarHBondContact SG-SG 2.93Å | ||
| 57 | H | 77.6 | Confident | 85.2 | Confident | 177 Ų | 177 | 52.6 Ų | 52.6 | 82% | 0.819 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -40.9 | -173.6 | -165 | 74.2 | 0 | 0 | 0 | 113 | H60 | H57-H60 PolarHBondContact O-ND1 2.9Š|
| 58 | N | 78.8 | Confident | 85.1 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 13.9 | -176 | -69.4 | -18.3 | 0 | 0 | 0 | 113.9 | C56 H60 M61 H62 | C56-N58 PolarHBondContact O-N 2.89Å; N58-H60 PolarHBondContact O-N 2.96Å; N58-M61 PolarHBondContact O-N 2.83Å; N58-H62 PolarHBondContact O-ND1 3.37Å |
| 59 | C | 85.5 | Confident | 84.9 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.034 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -31.4 | -178.4 | -84.6 | 0 | 0 | 0 | 0 | 111.9 | V52 P53 C56 M61 H62 K63 | V52-C59 HydrophobicContact CG1-CB 3.76Å; V52-C59 WeakPolarHBondContact CG1-SG 3.44Å; P53-C59 PolarHBondContact O-SG 3.43Å; C56-C59 HydrophobicContact CB-CB 4.26Å; C56-C59 WeakPolarHBondContact CB-SG 3.43Å; C56-C59 WeakPolarHBondContact O-CB 3.42Å; C56-C59 PolarHBondContact O-N 3.29Å; C56-C59 WeakPolarHBondContact SG-CA 3.33Å; C56-C59 WeakPolarHBondContact SG-CB 3.49Å; C56-C59 PolarHBondContact SG-N 3.45Å; C56-C59 CovalentContact SG-SG 2.01Å; C56-C59 PolarHBondContact SG-SG 2.93Å; C59-M61 VanDerWaalsContact C-N 3.27Å; C59-M61 PolarHBondContact O-N 3.4Å; C59-H62 PolarHBondContact O-N 2.91Å; C59-H62 VanDerWaalsContact O-N 3.15Å; C59-K63 WeakPolarHBondContact O-CB 3.39Å; C59-K63 WeakPolarHBondContact O-CG 3.26Å; C59-K63 PolarHBondContact O-N 3.19Å |
| 60 | H | 87 | Confident | 84.5 | Confident | 117 Ų | 117 | 56.9 Ų | 56.9 | 54% | 0.542 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.7 | -37 | 180 | 70.1 | -84.6 | 0 | 0 | 0 | 112.7 | H57 N58 K64 | H57-H60 PolarHBondContact O-ND1 2.9Å; N58-H60 PolarHBondContact O-N 2.96Å; H60-K64 VanDerWaalsContact O-CB 3.32Å; H60-K64 WeakPolarHBondContact O-CB 3.28Å; H60-K64 PolarHBondContact O-N 3.48Å |
| 61 | M | 87 | Confident | 84 | Confident | 79 Ų | 79 | 60.7 Ų | 60.7 | 39% | 0.389 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 176.8 | -66 | -62.2 | -66.4 | 0 | 0 | 111.8 | N58 C59 K64 L65 L113 | N58-M61 PolarHBondContact O-N 2.83Å; C59-M61 VanDerWaalsContact C-N 3.27Å; C59-M61 PolarHBondContact O-N 3.4Å; M61-K64 PolarHBondContact O-N 3.4Å; M61-L65 WeakPolarHBondContact O-CB 3.47Å; M61-L65 PolarHBondContact O-N 3.44Å; M61-L113 HydrophobicContact CB-CD1 3.99Å |
| 62 | H | 87.7 | Confident | 83.4 | Confident | 16 Ų | 16 | 61.3 Ų | 61.3 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 177.2 | -70.8 | 80.5 | 0 | 0 | 0 | 111.7 | V52 N58 C59 K64 L65 L66 P96 L113 | V52-H62 HydrophobicContact CG2-CB 3.85Å; N58-H62 PolarHBondContact O-ND1 3.37Å; C59-H62 PolarHBondContact O-N 2.91Å; C59-H62 VanDerWaalsContact O-N 3.15Å; H62-K64 VanDerWaalsContact C-N 3.34Å; H62-K64 PolarHBondContact O-N 3.29Å; H62-L65 PolarHBondContact O-N 2.9Å; H62-L66 VanDerWaalsContact O-CB 3.28Å; H62-L66 WeakPolarHBondContact O-CB 3.27Å; H62-L66 PolarHBondContact O-N 3.36Å; H62-P96 WeakPolarHBondContact CE1-CG 3.46Å; H62-P96 WeakPolarHBondContact ND1-CG 3.49Å; H62-L113 WeakPolarHBondContact CE1-CD1 3.4Å; H62-L113 WeakPolarHBondContact NE2-CD2 3.38Å |
| 63 | K | 86.9 | Confident | 82.2 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 35% | 0.352 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.5 | -70.8 | -179.3 | 179.2 | 178.8 | 0 | 111.7 | V52 C59 L66 N67 | V52-K63 HydrophobicContact CG1-CD 4.5Å; V52-K63 HydrophobicContact CG1-CG 4.04Å; C59-K63 WeakPolarHBondContact O-CB 3.39Å; C59-K63 WeakPolarHBondContact O-CG 3.26Å; C59-K63 PolarHBondContact O-N 3.19Å; K63-L66 PolarHBondContact O-N 3.02Å; K63-N67 VanDerWaalsContact O-CG 3.24Å; K63-N67 PolarHBondContact O-N 3.48Å; K63-N67 PolarHBondContact O-ND2 3.45Å |
| 64 | K | 89.2 | Confident | 81.5 | Confident | 128 Ų | 128 | 72.6 Ų | 72.6 | 56% | 0.557 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.7 | -50.9 | 173.9 | -177.5 | -178.2 | 176.1 | -175.7 | 0 | 111 | H60 M61 H62 L66 N67 D68 | H60-K64 VanDerWaalsContact O-CB 3.32Å; H60-K64 WeakPolarHBondContact O-CB 3.28Å; H60-K64 PolarHBondContact O-N 3.48Å; M61-K64 PolarHBondContact O-N 3.4Å; H62-K64 VanDerWaalsContact C-N 3.34Å; H62-K64 PolarHBondContact O-N 3.29Å; K64-L66 VanDerWaalsContact C-N 3.31Å; K64-L66 PolarHBondContact O-N 3.42Å; K64-N67 PolarHBondContact O-N 3.4Å; K64-D68 PolarHBondContact O-N 2.83Å |
| 65 | L | 88.8 | Confident | 81.1 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 178.6 | -179.7 | 59.9 | 0 | 0 | 0 | 111.7 | F50 M61 H62 N67 D68 I69 I98 L113 R115 L118 | F50-L65 HydrophobicContact CE1-CG 4.49Å; M61-L65 WeakPolarHBondContact O-CB 3.47Å; M61-L65 PolarHBondContact O-N 3.44Å; H62-L65 PolarHBondContact O-N 2.9Å; L65-N67 PolarHBondContact O-N 3.47Å; L65-D68 PolarHBondContact O-N 2.91Å; L65-I69 HydrophobicContact CD1-CD1 3.68Å; L65-I69 HydrophobicContact CD1-CG1 4.17Å; L65-I69 HydrophobicContact CG-CD1 3.64Å; L65-I69 WeakPolarHBondContact O-CD1 3.31Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.35Å; L65-I69 PolarHBondContact O-N 3.09Å; L65-I98 HydrophobicContact CD2-CD1 3.76Å; L65-L113 HydrophobicContact CD2-CB 4.25Å; L65-L113 HydrophobicContact CD2-CD2 4.18Å; L65-R115 HydrophobicContact CD1-CB 4.43Å; L65-L118 HydrophobicContact CD2-CD2 4.46Å |
| 66 | L | 86.4 | Confident | 80.9 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.1 | -50.8 | 174.8 | 176 | 57.5 | 0 | 0 | 0 | 111.6 | L24 F50 H62 K63 K64 D68 I69 S70 I79 H81 | L24-L66 HydrophobicContact CD1-CD1 3.77Å; L24-L66 HydrophobicContact CD1-CD2 4.16Å; L24-L66 HydrophobicContact CD1-CG 4.21Å; F50-L66 HydrophobicContact CB-CD1 4.36Å; F50-L66 HydrophobicContact CB-CD2 4.4Å; F50-L66 HydrophobicContact CD1-CB 3.92Å; F50-L66 HydrophobicContact CD1-CD1 4.15Å; F50-L66 HydrophobicContact CD1-CG 4.46Å; F50-L66 HydrophobicContact CD2-CD1 3.64Å; F50-L66 HydrophobicContact CE1-CB 3.9Å; F50-L66 HydrophobicContact CE1-CD1 4.35Å; F50-L66 HydrophobicContact CE2-CD1 3.87Å; F50-L66 HydrophobicContact CG-CB 4.4Å; F50-L66 HydrophobicContact CG-CD1 3.79Å; F50-L66 HydrophobicContact CG-CD2 4.45Å; F50-L66 HydrophobicContact CG-CG 4.45Å; F50-L66 HydrophobicContact CZ-CB 4.37Å; F50-L66 HydrophobicContact CZ-CD1 4.23Å; H62-L66 VanDerWaalsContact O-CB 3.28Å; H62-L66 WeakPolarHBondContact O-CB 3.27Å; H62-L66 PolarHBondContact O-N 3.36Å; K63-L66 PolarHBondContact O-N 3.02Å; K64-L66 VanDerWaalsContact C-N 3.31Å; K64-L66 PolarHBondContact O-N 3.42Å; L66-D68 PolarHBondContact O-N 3.35Å; L66-I69 PolarHBondContact O-N 2.89Å; L66-S70 WeakPolarHBondContact O-CB 3.38Å; L66-S70 PolarHBondContact O-N 3.17Å; L66-S70 PolarHBondContact O-OG 2.86Å; L66-I79 HydrophobicContact CD1-CG2 3.41Å; L66-I79 VanDerWaalsContact CD1-CG2 3.41Å; L66-H81 HydrophobicContact CD2-CB 4.47Å |
| 67 | N | 85.8 | Confident | 80.7 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 49% | 0.492 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.7 | -68.1 | -20.5 | 0 | 0 | 0 | 112.4 | K63 K64 L65 I69 S70 S71 | K63-N67 VanDerWaalsContact O-CG 3.24Å; K63-N67 PolarHBondContact O-N 3.48Å; K63-N67 PolarHBondContact O-ND2 3.45Å; K64-N67 PolarHBondContact O-N 3.4Å; L65-N67 PolarHBondContact O-N 3.47Å; N67-I69 PolarHBondContact O-N 2.81Å; N67-S70 WeakPolarHBondContact CA-OG 3.49Å; N67-S70 PolarHBondContact O-OG 3.2Å; N67-S70 VanDerWaalsContact O-OG 3.07Å; N67-S71 PolarHBondContact O-N 2.92Å; N67-S71 PolarHBondContact O-OG 3.43Å |
| 68 | D | 86.9 | Confident | 81 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.1 | -31.8 | 179 | -69.1 | -14.6 | 0 | 0 | 0 | 111.7 | K64 L65 L66 S71 | K64-D68 PolarHBondContact O-N 2.83Å; L65-D68 PolarHBondContact O-N 2.91Å; L66-D68 PolarHBondContact O-N 3.35Å; D68-S71 PolarHBondContact O-OG 2.87Å |
| 69 | I | 85 | Confident | 81.4 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -88.1 | -38.6 | 179.1 | -60.9 | 151.5 | 0 | 0 | 0 | 111.9 | L48 F50 L65 L66 N67 S71 D72 Y75 I79 L118 | L48-I69 HydrophobicContact CD1-CG2 4.12Å; F50-I69 HydrophobicContact CZ-CD1 3.77Å; L65-I69 HydrophobicContact CD1-CD1 3.68Å; L65-I69 HydrophobicContact CD1-CG1 4.17Å; L65-I69 HydrophobicContact CG-CD1 3.64Å; L65-I69 WeakPolarHBondContact O-CD1 3.31Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.35Å; L65-I69 PolarHBondContact O-N 3.09Å; L66-I69 PolarHBondContact O-N 2.89Å; N67-I69 PolarHBondContact O-N 2.81Å; I69-S71 PolarHBondContact O-N 3.28Å; I69-D72 WeakPolarHBondContact O-CB 3.39Å; I69-D72 PolarHBondContact O-N 3.05Å; I69-Y75 HydrophobicContact CG2-CD1 4.38Å; I69-Y75 HydrophobicContact CG2-CG 4.47Å; I69-I79 HydrophobicContact CB-CD1 4.41Å; I69-I79 HydrophobicContact CG2-CD1 3.85Å; I69-L118 HydrophobicContact CD1-CD2 3.09Å; I69-L118 HydrophobicContact CD1-CG 4.47Å; I69-L118 HydrophobicContact CG1-CD2 4.2Å |
| 70 | S | 81 | Confident | 81.4 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -29.7 | 178.2 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | L66 N67 D72 | L66-S70 WeakPolarHBondContact O-CB 3.38Å; L66-S70 PolarHBondContact O-N 3.17Å; L66-S70 PolarHBondContact O-OG 2.86Å; N67-S70 WeakPolarHBondContact CA-OG 3.49Å; N67-S70 PolarHBondContact O-OG 3.2Å; N67-S70 VanDerWaalsContact O-OG 3.07Å; S70-D72 VanDerWaalsContact C-N 3.28Å |
| 71 | S | 78.7 | Confident | 81.4 | Confident | 79 Ų | 79 | 46 Ų | 46 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -2.9 | 173.9 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | N67 D68 I69 V73 | N67-S71 PolarHBondContact O-N 2.92Å; N67-S71 PolarHBondContact O-OG 3.43Å; D68-S71 PolarHBondContact O-OG 2.87Å; I69-S71 PolarHBondContact O-N 3.28Å; S71-V73 PolarHBondContact O-N 3.4Å |
| 72 | D | 73.9 | Confident | 81.2 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | trans | -82.2 | 109.7 | -175.4 | -165.4 | 7.1 | 0 | 0 | 0 | 111.8 | I69 S70 L74 Y75 R115 | I69-D72 WeakPolarHBondContact O-CB 3.39Å; I69-D72 PolarHBondContact O-N 3.05Å; S70-D72 VanDerWaalsContact C-N 3.28Å; D72-L74 PolarHBondContact O-N 2.8Å; D72-L74 VanDerWaalsContact O-N 3.1Å; D72-L74 PolarHBondContact OD1-N 2.87Å; D72-Y75 PolarHBondContact O-N 2.96Å; D72-R115 IonicContact OD1-CZ 2.75Å; D72-R115 IonicContact OD1-NH2 3.21Å; D72-R115 PolarHBondContact OD1-NH2 3.47Å; D72-R115 IonicContact OD2-CZ 3.35Å; D72-R115 IonicContact OD2-NE 4Å; D72-R115 PolarHBondContact OD2-NE 2.91Å; D72-R115 IonicContact OD2-NH2 3.44Å; D72-R115 PolarHBondContact OD2-NH2 3.47Å | ||
| 73 | V | 61.6 | Low | 80.8 | Confident | 94 Ų | 94 | 44.5 Ų | 44.5 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.2 | 178.4 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | S71 Y75 | S71-V73 PolarHBondContact O-N 3.4Å; V73-Y75 VanDerWaalsContact C-N 3.33Å |
| 74 | L | 66.9 | Low | 80.2 | Confident | 148 Ų | 148 | 43.7 Ų | 43.7 | 78% | 0.775 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -18.3 | 179.2 | -77.3 | 128.4 | 0 | 0 | 0 | 113.6 | D72 | D72-L74 PolarHBondContact O-N 2.8Å; D72-L74 VanDerWaalsContact O-N 3.1Å; D72-L74 PolarHBondContact OD1-N 2.87Å |
| 75 | Y | 70.8 | Confident | 79.3 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | trans | -96.5 | 113.6 | -177.3 | 178.6 | -105.8 | 0 | 0 | 0 | 110.9 | A46 L48 I69 D72 V73 G77 D78 I79 M122 | A46-Y75 PolarHBondContact O-OH 3.29Å; L48-Y75 HydrophobicContact CD1-CE1 4.34Å; L48-Y75 HydrophobicContact CD1-CE2 4.17Å; L48-Y75 HydrophobicContact CG-CE2 4.44Å; L48-Y75 WeakPolarHBondContact CG-OH 3.38Å; L48-Y75 PolarHBondContact N-OH 3.23Å; I69-Y75 HydrophobicContact CG2-CD1 4.38Å; I69-Y75 HydrophobicContact CG2-CG 4.47Å; D72-Y75 PolarHBondContact O-N 2.96Å; V73-Y75 VanDerWaalsContact C-N 3.33Å; Y75-G77 WeakPolarHBondContact CE1-O 3.28Å; Y75-G77 WeakPolarHBondContact OH-CA 3.37Å; Y75-D78 PolarHBondContact OH-O 3.12Å; Y75-I79 HydrophobicContact CD1-CD1 4Å; Y75-I79 HydrophobicContact CD1-CG1 4.04Å; Y75-I79 HydrophobicContact CE1-CD1 3.83Å; Y75-I79 HydrophobicContact CE1-CG1 3.36Å; Y75-M122 HydrophobicContact CD2-CE 3.74Å; Y75-M122 HydrophobicContact CD2-SD 3.46Å; Y75-M122 WeakPolarHBondContact CD2-SD 3.24Å; Y75-M122 HydrophobicContact CE2-CE 4.2Å; Y75-M122 HydrophobicContact CE2-SD 3.3Å; Y75-M122 WeakPolarHBondContact CE2-SD 3.37Å | ||
| 76 | S | 71.9 | Confident | 78.2 | Confident | 60 Ų | 60 | 46.5 Ų | 46.5 | 42% | 0.42 | 26% | 0.264 | S | S | . | . | trans | -104 | 12.3 | 179.6 | -39 | 0 | 0 | 0 | 0 | 113.8 | N45 | N45-S76 WeakPolarHBondContact ND2-CB 3.31Š| ||
| 77 | G | 77.2 | Confident | 77.2 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -85.5 | 168.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y75 | Y75-G77 WeakPolarHBondContact CE1-O 3.28Å; Y75-G77 WeakPolarHBondContact OH-CA 3.37Å |
| 78 | D | 83.7 | Confident | 76.1 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 22% | 0.219 | 27% | 0.272 | C | S | . | . | trans | -81.4 | 147.1 | 170.6 | -74.3 | 1.3 | 0 | 0 | 0 | 109.7 | K25 Y40 L48 Y75 F80 | K25-D78 IonicContact NZ-OD1 3.73Å; K25-D78 IonicContact NZ-OD2 2.73Å; K25-D78 PolarHBondContact NZ-OD2 3.31Å; Y40-D78 WeakPolarHBondContact OH-CB 3.2Å; Y40-D78 PolarHBondContact OH-OD1 3.09Å; Y40-D78 PolarHBondContact OH-OD2 2.69Å; Y40-D78 VanDerWaalsContact OH-OD2 3.08Å; L48-D78 PolarHBondContact N-O 2.9Å; Y75-D78 PolarHBondContact OH-O 3.12Å; D78-F80 HydrophobicContact CB-CE1 4.25Å; D78-F80 HydrophobicContact CB-CE2 4Å; D78-F80 HydrophobicContact CB-CZ 3.76Å | ||
| 79 | I | 86.6 | Confident | 75 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.2 | 171.6 | -48 | -178.5 | 0 | 0 | 0 | 108.3 | L24 K25 L48 F50 L66 I69 Y75 | L24-I79 HydrophobicContact CD1-CB 4.37Å; L24-I79 HydrophobicContact CD1-CG2 4.08Å; K25-I79 PolarHBondContact N-O 3.28Å; L48-I79 HydrophobicContact CB-CG2 4.31Å; L48-I79 WeakPolarHBondContact O-CA 3.45Å; F50-I79 HydrophobicContact CD2-CG2 3.83Å; F50-I79 HydrophobicContact CE2-CG2 4.04Å; L66-I79 HydrophobicContact CD1-CG2 3.41Å; L66-I79 VanDerWaalsContact CD1-CG2 3.41Å; I69-I79 HydrophobicContact CB-CD1 4.41Å; I69-I79 HydrophobicContact CG2-CD1 3.85Å; Y75-I79 HydrophobicContact CD1-CD1 4Å; Y75-I79 HydrophobicContact CD1-CG1 4.04Å; Y75-I79 HydrophobicContact CE1-CD1 3.83Å; Y75-I79 HydrophobicContact CE1-CG1 3.36Å |
| 80 | F | 86.3 | Confident | 73.7 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 140.3 | 175.5 | -56.6 | -64.4 | 0 | 0 | 0 | 109.9 | K25 V27 I35 A47 L48 L49 F50 D78 L101 | K25-F80 HydrophobicContact CB-CD1 4.08Å; K25-F80 HydrophobicContact CB-CE1 4.41Å; K25-F80 HydrophobicContact CD-CE1 4.06Å; K25-F80 WeakPolarHBondContact O-CA 3.44Å; V27-F80 HydrophobicContact CG2-CB 4.38Å; V27-F80 HydrophobicContact CG2-CD1 3.51Å; V27-F80 HydrophobicContact CG2-CE1 4.23Å; V27-F80 HydrophobicContact CG2-CG 4.35Å; I35-F80 HydrophobicContact CD1-CD1 4.23Å; I35-F80 HydrophobicContact CD1-CD2 3.97Å; I35-F80 HydrophobicContact CD1-CE1 4.19Å; I35-F80 HydrophobicContact CD1-CE2 3.94Å; I35-F80 HydrophobicContact CD1-CG 4.1Å; I35-F80 HydrophobicContact CD1-CZ 4.05Å; I35-F80 HydrophobicContact CG2-CE2 4.27Å; I35-F80 HydrophobicContact CG2-CZ 4.07Å; A47-F80 HydrophobicContact CB-CD2 4.23Å; A47-F80 HydrophobicContact CB-CE2 3.76Å; L48-F80 PolarHBondContact O-N 3.45Å; L49-F80 WeakPolarHBondContact CA-O 3.37Å; L49-F80 HydrophobicContact CB-CB 4.47Å; L49-F80 HydrophobicContact CD1-CB 3.73Å; F50-F80 PolarHBondContact N-O 3.3Å; D78-F80 HydrophobicContact CB-CE1 4.25Å; D78-F80 HydrophobicContact CB-CE2 4Å; D78-F80 HydrophobicContact CB-CZ 3.76Å; F80-L101 HydrophobicContact CD2-CD1 4.45Å |
| 81 | H | 86.1 | Confident | 72.6 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 9% | 0.088 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 124.7 | 175.3 | -178.5 | -115.2 | 0 | 0 | 0 | 110 | L24 K25 T26 V27 F50 L66 N83 | L24-H81 HydrophobicContact CD1-CB 4.07Å; K25-H81 PolarHBondContact O-N 3.37Å; T26-H81 HydrophobicContact CG2-CB 4.39Å; V27-H81 PolarHBondContact N-O 2.95Å; F50-H81 WeakPolarHBondContact O-CA 3.3Å; L66-H81 HydrophobicContact CD2-CB 4.47Å; H81-N83 PolarHBondContact CE1-OD1 2.87Å; H81-N83 PolarHBondContact ND1-OD1 2.86Å |
| 82 | L | 84.5 | Confident | 71.9 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.4 | 179.5 | -177.2 | 64.7 | 0 | 0 | 0 | 110.4 | I32 L49 F50 I51 V52 D84 V87 | I32-L82 HydrophobicContact CD1-CB 3.67Å; I32-L82 HydrophobicContact CD1-CD1 3.55Å; I32-L82 HydrophobicContact CD1-CD2 3.57Å; I32-L82 HydrophobicContact CD1-CG 3.75Å; L49-L82 HydrophobicContact CD1-CB 3.96Å; F50-L82 PolarHBondContact O-N 3.26Å; I51-L82 WeakPolarHBondContact CA-O 3.4Å; I51-L82 HydrophobicContact CG1-CB 4.48Å; I51-L82 HydrophobicContact CG1-CD2 4.34Å; V52-L82 PolarHBondContact N-O 3.1Å; L82-D84 HydrophobicContact CD1-CB 3.92Å; L82-D84 WeakPolarHBondContact CD2-O 3.15Å; L82-D84 HydrophobicContact CG-CB 4.42Å; L82-V87 HydrophobicContact CD2-CG2 3.88Å |
| 83 | N | 79.6 | Confident | 71.7 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | trans | -101 | -14.6 | 176.2 | -56.3 | 25.1 | 0 | 0 | 0 | 112.1 | D54 H81 | D54-N83 PolarHBondContact OD1-ND2 3Å; H81-N83 PolarHBondContact CE1-OD1 2.87Å; H81-N83 PolarHBondContact ND1-OD1 2.86Å | ||
| 84 | D | 74.3 | Confident | 72.3 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 34% | 0.342 | 28% | 0.283 | S | S | . | . | trans | -86.4 | 123.9 | -175.1 | -171 | -9.4 | 0 | 0 | 0 | 111.9 | L82 T86 | L82-D84 HydrophobicContact CD1-CB 3.92Å; L82-D84 WeakPolarHBondContact CD2-O 3.15Å; L82-D84 HydrophobicContact CG-CB 4.42Å; D84-T86 VanDerWaalsContact OD1-CB 3.31Å; D84-T86 WeakPolarHBondContact OD1-CB 3.33Å; D84-T86 VanDerWaalsContact OD1-CG2 3.24Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.36Å; D84-T86 PolarHBondContact OD1-N 3.28Å; D84-T86 PolarHBondContact OD1-OG1 2.95Å; D84-T86 PolarHBondContact OD2-OG1 3.15Å; D84-T86 VanDerWaalsContact OD2-OG1 3.1Å | ||
| 85 | M | 69.7 | Low | 72.7 | Confident | 98 Ų | 98 | 45.2 Ų | 45.2 | 48% | 0.483 | 26% | 0.26 | S | S | . | . | trans | -93.7 | 1.9 | 179.4 | -65.4 | -169.9 | -71 | 0 | 0 | 113.9 | P53 V87 N91 A95 | P53-M85 HydrophobicContact CB-CE 3.92Å; P53-M85 HydrophobicContact CB-CG 3.97Å; P53-M85 HydrophobicContact CB-SD 3.65Å; P53-M85 HydrophobicContact CG-CG 4.47Å; P53-M85 HydrophobicContact CG-SD 3.83Å; M85-V87 PolarHBondContact O-N 3.17Å; M85-N91 PolarHBondContact O-OD1 3.33Å; M85-A95 HydrophobicContact SD-CB 4.22Å | ||
| 86 | T | 66.2 | Low | 73.4 | Confident | 93 Ų | 93 | 46.4 Ų | 46.4 | 57% | 0.571 | 27% | 0.268 | S | S | * | . | trans | -70.4 | 1 | -175.5 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | L29 D84 P88 | L29-T86 WeakPolarHBondContact CD2-OG1 3.48Å; D84-T86 VanDerWaalsContact OD1-CB 3.31Å; D84-T86 WeakPolarHBondContact OD1-CB 3.33Å; D84-T86 VanDerWaalsContact OD1-CG2 3.24Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.36Å; D84-T86 PolarHBondContact OD1-N 3.28Å; D84-T86 PolarHBondContact OD1-OG1 2.95Å; D84-T86 PolarHBondContact OD2-OG1 3.15Å; D84-T86 VanDerWaalsContact OD2-OG1 3.1Å; T86-P88 WeakPolarHBondContact O-CD 3.36Å | ||
| 87 | V | 64.2 | Low | 74.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | trans | -78 | 123.7 | -174.4 | -161.2 | 0 | 0 | 0 | 0 | 111.1 | L29 L82 M85 W89 V90 N91 | L29-V87 HydrophobicContact CD1-CB 3.99Å; L29-V87 HydrophobicContact CD1-CG1 3.8Å; L29-V87 HydrophobicContact CD1-CG2 3.26Å; L29-V87 HydrophobicContact CD2-CG2 4.26Å; L29-V87 HydrophobicContact CG-CG2 4.3Å; L82-V87 HydrophobicContact CD2-CG2 3.88Å; M85-V87 PolarHBondContact O-N 3.17Å; V87-W89 HydrophobicContact CG1-CD2 4.01Å; V87-W89 VanDerWaalsContact CG1-CE2 3.44Å; V87-W89 HydrophobicContact CG1-CG 4.05Å; V87-W89 HydrophobicContact CG1-CZ2 3.95Å; V87-W89 PolarHBondContact O-N 3.45Å; V87-V90 HydrophobicContact CB-CB 3.77Å; V87-V90 HydrophobicContact CB-CG2 3.46Å; V87-V90 VanDerWaalsContact CB-CG2 3.46Å; V87-V90 HydrophobicContact CG1-CG2 3.92Å; V87-V90 HydrophobicContact CG2-CB 4.31Å; V87-V90 HydrophobicContact CG2-CG2 3.8Å; V87-V90 WeakPolarHBondContact O-CA 3.26Å; V87-V90 WeakPolarHBondContact O-CB 3.42Å; V87-V90 PolarHBondContact O-N 3.3Å; V87-N91 PolarHBondContact O-N 2.86Å; V87-N91 VanDerWaalsContact O-N 3.14Å | ||
| 88 | P | 63 | Low | 74.9 | Confident | 104 Ų | 104 | 44 Ų | 44 | 68% | 0.675 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -40.5 | -175.8 | -28 | 35.2 | 0 | 0 | 0 | 114.9 | T86 V90 N91 | T86-P88 WeakPolarHBondContact O-CD 3.36Å; P88-V90 VanDerWaalsContact C-N 3.32Å; P88-N91 WeakPolarHBondContact O-CB 3.47Å; P88-N91 PolarHBondContact O-N 3.11Å |
| 89 | W | 63 | Low | 75.2 | Confident | 63 Ų | 63 | 42.2 Ų | 42.2 | 24% | 0.239 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -20.2 | 178.1 | 58.8 | -97.2 | 0 | 0 | 0 | 112.8 | I32 L49 I51 V87 N91 M92 L93 L99 | I32-W89 HydrophobicContact CG2-CZ2 4.39Å; L49-W89 HydrophobicContact CD2-CH2 3.82Å; I51-W89 HydrophobicContact CD1-CH2 4.15Å; I51-W89 HydrophobicContact CD1-CZ3 4.06Å; V87-W89 HydrophobicContact CG1-CD2 4.01Å; V87-W89 VanDerWaalsContact CG1-CE2 3.44Å; V87-W89 HydrophobicContact CG1-CG 4.05Å; V87-W89 HydrophobicContact CG1-CZ2 3.95Å; V87-W89 PolarHBondContact O-N 3.45Å; W89-N91 VanDerWaalsContact C-N 3.34Å; W89-M92 WeakPolarHBondContact O-CB 3.49Å; W89-M92 PolarHBondContact O-N 3.34Å; W89-L93 HydrophobicContact CE3-CD1 4.28Å; W89-L93 HydrophobicContact CZ3-CD1 4.3Å; W89-L99 HydrophobicContact CE3-CD2 4.11Å; W89-L99 HydrophobicContact CH2-CD1 4.4Å; W89-L99 HydrophobicContact CH2-CD2 3.94Å; W89-L99 HydrophobicContact CZ3-CD1 3.91Å; W89-L99 HydrophobicContact CZ3-CD2 3.3Å; W89-L99 HydrophobicContact CZ3-CG 4.25Å |
| 90 | V | 58.2 | Low | 75.4 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -29.5 | 170.9 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | I51 V87 P88 M92 L93 | I51-V90 HydrophobicContact CD1-CB 4.25Å; I51-V90 HydrophobicContact CD1-CG1 3.85Å; I51-V90 HydrophobicContact CD1-CG2 3.36Å; I51-V90 HydrophobicContact CG2-CG1 3.95Å; V87-V90 HydrophobicContact CB-CB 3.77Å; V87-V90 HydrophobicContact CB-CG2 3.46Å; V87-V90 VanDerWaalsContact CB-CG2 3.46Å; V87-V90 HydrophobicContact CG1-CG2 3.92Å; V87-V90 HydrophobicContact CG2-CB 4.31Å; V87-V90 HydrophobicContact CG2-CG2 3.8Å; V87-V90 WeakPolarHBondContact O-CA 3.26Å; V87-V90 WeakPolarHBondContact O-CB 3.42Å; V87-V90 PolarHBondContact O-N 3.3Å; P88-V90 VanDerWaalsContact C-N 3.32Å; V90-M92 PolarHBondContact O-N 2.97Å; V90-M92 VanDerWaalsContact O-N 3.13Å; V90-L93 CarbonylContact O-C 3.57Å; V90-L93 VanDerWaalsContact O-C 3.26Å; V90-L93 WeakPolarHBondContact O-CA 3.46Å; V90-L93 PolarHBondContact O-N 2.76Å |
| 91 | N | 58.6 | Low | 75.6 | Confident | 124 Ų | 124 | 41.9 Ų | 41.9 | 66% | 0.663 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -25.5 | 173.1 | -64.8 | -27.4 | 0 | 0 | 0 | 112.8 | M85 V87 P88 W89 L93 | M85-N91 PolarHBondContact O-OD1 3.33Å; V87-N91 PolarHBondContact O-N 2.86Å; V87-N91 VanDerWaalsContact O-N 3.14Å; P88-N91 WeakPolarHBondContact O-CB 3.47Å; P88-N91 PolarHBondContact O-N 3.11Å; W89-N91 VanDerWaalsContact C-N 3.34Å; N91-L93 VanDerWaalsContact C-N 3.31Å |
| 92 | M | 63.5 | Low | 75.6 | Confident | 53 Ų | 53 | 41.2 Ų | 41.2 | 26% | 0.261 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -26.1 | 172.1 | -167.4 | 176.3 | 71.9 | 0 | 0 | 112 | W89 V90 D164 I168 M233 | W89-M92 WeakPolarHBondContact O-CB 3.49Å; W89-M92 PolarHBondContact O-N 3.34Å; V90-M92 PolarHBondContact O-N 2.97Å; V90-M92 VanDerWaalsContact O-N 3.13Å; M92-D164 HydrophobicContact CE-CB 4.3Å; M92-D164 HydrophobicContact SD-CB 4.11Å; M92-I168 HydrophobicContact CE-CD1 3.65Å; M92-I168 HydrophobicContact CE-CG1 3.68Å; M92-I168 HydrophobicContact CG-CD1 4.14Å; M92-I168 HydrophobicContact SD-CD1 3.65Å; M92-I168 HydrophobicContact SD-CG1 4.36Å; M92-M233 WeakPolarHBondContact O-CE 3.44Å |
| 93 | L | 69.7 | Low | 75.6 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -104.5 | 101.7 | -179.1 | -65.4 | 168.5 | 0 | 0 | 0 | 109.1 | W89 V90 N91 A95 A97 L99 P108 F110 | W89-L93 HydrophobicContact CE3-CD1 4.28Å; W89-L93 HydrophobicContact CZ3-CD1 4.3Å; V90-L93 CarbonylContact O-C 3.57Å; V90-L93 VanDerWaalsContact O-C 3.26Å; V90-L93 WeakPolarHBondContact O-CA 3.46Å; V90-L93 PolarHBondContact O-N 2.76Å; N91-L93 VanDerWaalsContact C-N 3.31Å; L93-A95 PolarHBondContact O-N 2.83Å; L93-A97 HydrophobicContact CB-CB 4.29Å; L93-L99 HydrophobicContact CD1-CD1 4.03Å; L93-L99 HydrophobicContact CD1-CD2 3.9Å; L93-L99 HydrophobicContact CD1-CG 4.15Å; L93-P108 HydrophobicContact CD1-CB 4Å; L93-P108 HydrophobicContact CD2-CB 3.38Å; L93-P108 HydrophobicContact CD2-CG 3.76Å; L93-P108 HydrophobicContact CG-CB 4.35Å; L93-F110 HydrophobicContact CD2-CE1 4.13Å; L93-F110 HydrophobicContact CD2-CZ 3.92Å |
| 94 | S | 73.8 | Confident | 75.8 | Confident | 102 Ų | 102 | 49 Ų | 49 | 71% | 0.713 | 28% | 0.275 | S | S | * | . | trans | -47.8 | 101.9 | 175.2 | -58 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 95 | A | 76.8 | Confident | 76.3 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 30% | 0.298 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -68.3 | 146.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I51 P53 M85 L93 | I51-A95 HydrophobicContact CG2-CB 4.34Å; P53-A95 HydrophobicContact CG-CB 4.41Å; M85-A95 HydrophobicContact SD-CB 4.22Å; L93-A95 PolarHBondContact O-N 2.83Å |
| 96 | P | 85.4 | Confident | 77.2 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | S | Bend | cis | -72.1 | 148.1 | 3.9 | 30.4 | -36.9 | 0 | 0 | 0 | 113.8 | I51 H62 | I51-P96 CarbonylContact O-C 3.6Å; I51-P96 WeakPolarHBondContact O-CA 3.22Å; I51-P96 WeakPolarHBondContact O-CB 3.18Å; H62-P96 WeakPolarHBondContact CE1-CG 3.46Å; H62-P96 WeakPolarHBondContact ND1-CG 3.49Å |
| 97 | A | 88 | Confident | 78.3 | Confident | 11 Ų | 11 | 42 Ų | 42 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | I51 L93 L99 | I51-A97 PolarHBondContact N-O 3.45Å; I51-A97 PolarHBondContact O-N 2.72Å; L93-A97 HydrophobicContact CB-CB 4.29Å; A97-L99 HydrophobicContact CB-CD1 4.47Å |
| 98 | I | 91 | Very high | 79.6 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.6 | 173.5 | -56.6 | 170.4 | 0 | 0 | 0 | 107.2 | L48 L49 F50 L65 Y109 L113 L118 | L48-I98 HydrophobicContact CD2-CG2 4.42Å; L49-I98 CarbonylContact O-C 3.26Å; L49-I98 WeakPolarHBondContact O-CA 3.23Å; F50-I98 HydrophobicContact CD1-CD1 4.12Å; F50-I98 HydrophobicContact CD1-CG1 3.8Å; F50-I98 HydrophobicContact CD2-CG2 4.49Å; F50-I98 HydrophobicContact CE1-CD1 3.49Å; F50-I98 VanDerWaalsContact CE1-CD1 3.49Å; F50-I98 HydrophobicContact CE1-CG1 3.68Å; F50-I98 HydrophobicContact CE2-CG2 4.2Å; F50-I98 HydrophobicContact CG-CG1 4.4Å; F50-I98 HydrophobicContact CZ-CD1 3.9Å; F50-I98 HydrophobicContact CZ-CG1 4.18Å; F50-I98 HydrophobicContact CZ-CG2 4.2Å; L65-I98 HydrophobicContact CD2-CD1 3.76Å; I98-Y109 HydrophobicContact CB-CD1 4.42Å; I98-Y109 HydrophobicContact CD1-CD1 4.21Å; I98-Y109 PolarHBondContact O-N 2.96Å; I98-L113 HydrophobicContact CD1-CD2 4.07Å; I98-L118 HydrophobicContact CD1-CD1 4.4Å; I98-L118 HydrophobicContact CG2-CD1 4.11Å |
| 99 | L | 90.4 | Very high | 81 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.6 | 175.1 | -71.1 | 92.8 | 0 | 0 | 0 | 111.2 | L48 L49 I51 W89 L93 A97 L101 I107 | L48-L99 WeakPolarHBondContact CA-O 3.19Å; L49-L99 HydrophobicContact CB-CB 4.31Å; L49-L99 PolarHBondContact N-O 2.91Å; L49-L99 PolarHBondContact O-N 2.88Å; I51-L99 HydrophobicContact CD1-CD1 3.47Å; I51-L99 VanDerWaalsContact CD1-CD1 3.47Å; I51-L99 HydrophobicContact CG1-CD1 4.04Å; W89-L99 HydrophobicContact CE3-CD2 4.11Å; W89-L99 HydrophobicContact CH2-CD1 4.4Å; W89-L99 HydrophobicContact CH2-CD2 3.94Å; W89-L99 HydrophobicContact CZ3-CD1 3.91Å; W89-L99 HydrophobicContact CZ3-CD2 3.3Å; W89-L99 HydrophobicContact CZ3-CG 4.25Å; L93-L99 HydrophobicContact CD1-CD1 4.03Å; L93-L99 HydrophobicContact CD1-CD2 3.9Å; L93-L99 HydrophobicContact CD1-CG 4.15Å; A97-L99 HydrophobicContact CB-CD1 4.47Å; L99-L101 HydrophobicContact CB-CD2 4.18Å; L99-I107 CarbonylContact C-O 3.57Å; L99-I107 WeakPolarHBondContact CA-O 3.21Å |
| 100 | F | 92 | Very high | 82.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131 | 162.5 | -60.7 | -76.3 | 0 | 0 | 0 | 109.2 | A46 L48 K106 I107 Y109 L118 A121 M122 F125 L174 | A46-F100 HydrophobicContact CB-CD1 4.35Å; L48-F100 HydrophobicContact CD2-CD1 3.4Å; L48-F100 HydrophobicContact CD2-CE1 3.39Å; L48-F100 HydrophobicContact CD2-CG 4.38Å; L48-F100 HydrophobicContact CD2-CZ 4.38Å; F100-K106 WeakPolarHBondContact O-CA 3.25Å; F100-I107 PolarHBondContact N-O 3.42Å; F100-I107 PolarHBondContact O-N 2.99Å; F100-Y109 AromaticContact CE2-CD2 3.85Å; F100-Y109 HydrophobicContact CE2-CD2 3.85Å; F100-Y109 HydrophobicContact CE2-CG 4.11Å; F100-Y109 HydrophobicContact CZ-CD2 4.21Å; F100-L118 HydrophobicContact CE1-CD1 4.32Å; F100-L118 HydrophobicContact CE2-CD1 4.48Å; F100-L118 HydrophobicContact CZ-CD1 3.7Å; F100-L118 HydrophobicContact CZ-CG 4.36Å; F100-A121 HydrophobicContact CE2-CB 4.13Å; F100-A121 HydrophobicContact CZ-CB 3.91Å; F100-M122 HydrophobicContact CD1-CB 4.42Å; F100-M122 HydrophobicContact CD1-CG 4.41Å; F100-M122 HydrophobicContact CE1-CB 3.62Å; F100-M122 HydrophobicContact CE1-CG 4.01Å; F100-M122 HydrophobicContact CZ-CB 4.26Å; F100-F125 HydrophobicContact CB-CB 4.42Å; F100-F125 HydrophobicContact CB-CD1 3.96Å; F100-F125 HydrophobicContact CB-CD2 3.44Å; F100-F125 VanDerWaalsContact CB-CD2 3.44Å; F100-F125 HydrophobicContact CB-CE1 4Å; F100-F125 HydrophobicContact CB-CE2 3.49Å; F100-F125 VanDerWaalsContact CB-CE2 3.49Å; F100-F125 HydrophobicContact CB-CG 3.67Å; F100-F125 HydrophobicContact CB-CZ 3.78Å; F100-F125 HydrophobicContact CD1-CB 4.48Å; F100-F125 HydrophobicContact CD1-CG 4.46Å; F100-F125 HydrophobicContact CD2-CD2 4.44Å; F100-F125 HydrophobicContact CG-CB 4.23Å; F100-F125 HydrophobicContact CG-CD1 4.48Å; F100-F125 HydrophobicContact CG-CD2 4.08Å; F100-F125 HydrophobicContact CG-CG 4.01Å; F100-L174 HydrophobicContact CD2-CD1 3.5Å; F100-L174 HydrophobicContact CE2-CD1 3.61Å; F100-L174 HydrophobicContact CG-CD1 4.49Å |
| 101 | L | 89.2 | Confident | 83.8 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.3 | -178.6 | -54.6 | 178.4 | 0 | 0 | 0 | 109.7 | L37 A47 L49 F80 L99 K106 | L37-L101 HydrophobicContact CD1-CB 4.37Å; L37-L101 HydrophobicContact CD2-CB 4.16Å; A47-L101 HydrophobicContact CB-CB 4.17Å; A47-L101 PolarHBondContact N-O 3.46Å; A47-L101 PolarHBondContact O-N 2.94Å; L49-L101 HydrophobicContact CB-CD1 3.63Å; L49-L101 HydrophobicContact CB-CG 4.17Å; L49-L101 HydrophobicContact CD2-CD1 4.18Å; F80-L101 HydrophobicContact CD2-CD1 4.45Å; L99-L101 HydrophobicContact CB-CD2 4.18Å; L101-K106 HydrophobicContact CD2-CB 3.91Å; L101-K106 HydrophobicContact CD2-CD 4.37Å; L101-K106 HydrophobicContact CD2-CG 3.77Å |
| 102 | N | 87.6 | Confident | 85.3 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | trans | -136.1 | -177.2 | 160.4 | 78.6 | -5.1 | 0 | 0 | 0 | 108.7 | L37 Y40 E104 R105 F125 | L37-N102 WeakPolarHBondContact CD1-O 3.48Å; Y40-N102 WeakPolarHBondContact O-CB 3.28Å; N102-E104 PolarHBondContact O-N 2.8Å; N102-E104 PolarHBondContact OD1-N 3.07Å; N102-R105 PolarHBondContact N-O 3.21Å; N102-R105 WeakPolarHBondContact OD1-CA 3.33Å; N102-R105 WeakPolarHBondContact OD1-CB 3.44Å; N102-R105 PolarHBondContact OD1-N 2.95Å; N102-R105 PolarHBondContact OD1-O 2.91Å; N102-F125 HydrophobicContact CB-CE1 3.97Å; N102-F125 HydrophobicContact CB-CZ 3.96Å | ||
| 103 | N | 84.3 | Confident | 86.5 | Confident | 98 Ų | 98 | 37 Ų | 37 | 52% | 0.524 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -60.9 | -18.3 | -178.8 | -164.6 | 20.5 | 0 | 0 | 0 | 114.2 | L37 Y40 | L37-N103 WeakPolarHBondContact O-CB 3.4Å; Y40-N103 PolarHBondContact O-N 3.49Å |
| 104 | E | 82.7 | Confident | 87.5 | Confident | 128 Ų | 128 | 41.4 Ų | 41.4 | 60% | 0.598 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -114.8 | -28.9 | -169 | -64.1 | 172.3 | -179.4 | 0 | 0 | 113.2 | N102 | N102-E104 PolarHBondContact O-N 2.8Å; N102-E104 PolarHBondContact OD1-N 3.07Å |
| 105 | R | 86 | Confident | 88.2 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | trans | -139.8 | 138.2 | -163 | -59.2 | -174.5 | -63.1 | 160.1 | 5 | 110.7 | N102 I107 F125 V129 | N102-R105 PolarHBondContact N-O 3.21Å; N102-R105 WeakPolarHBondContact OD1-CA 3.33Å; N102-R105 WeakPolarHBondContact OD1-CB 3.44Å; N102-R105 PolarHBondContact OD1-N 2.95Å; N102-R105 PolarHBondContact OD1-O 2.91Å; R105-I107 HydrophobicContact CB-CD1 4.06Å; R105-I107 HydrophobicContact CB-CG1 4.17Å; R105-F125 HydrophobicContact CB-CE2 4.32Å; R105-F125 HydrophobicContact CB-CZ 4.49Å; R105-F125 PolarHBondContact NH2-O 3.44Å; R105-V129 PolarHBondContact NH1-O 2.83Å | ||
| 106 | K | 86.9 | Confident | 88.8 | Confident | 79 Ų | 79 | 42.6 Ų | 42.6 | 34% | 0.343 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 105.4 | 172.2 | -55.7 | 179.2 | -175.2 | 170.6 | 0 | 106.1 | F100 L101 Q167 | F100-K106 WeakPolarHBondContact O-CA 3.25Å; L101-K106 HydrophobicContact CD2-CB 3.91Å; L101-K106 HydrophobicContact CD2-CD 4.37Å; L101-K106 HydrophobicContact CD2-CG 3.77Å; K106-Q167 WeakPolarHBondContact O-CG 3.31Å; K106-Q167 PolarHBondContact O-OE1 2.79Å |
| 107 | I | 90.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.5 | -169 | -67.5 | 177.3 | 0 | 0 | 0 | 109.5 | L99 F100 R105 F125 D170 G171 L174 | L99-I107 CarbonylContact C-O 3.57Å; L99-I107 WeakPolarHBondContact CA-O 3.21Å; F100-I107 PolarHBondContact N-O 3.42Å; F100-I107 PolarHBondContact O-N 2.99Å; R105-I107 HydrophobicContact CB-CD1 4.06Å; R105-I107 HydrophobicContact CB-CG1 4.17Å; I107-F125 HydrophobicContact CB-CD2 4.08Å; I107-F125 HydrophobicContact CB-CE2 3.9Å; I107-F125 HydrophobicContact CD1-CD2 3.85Å; I107-F125 HydrophobicContact CD1-CE2 3.71Å; I107-F125 HydrophobicContact CG1-CD2 4.37Å; I107-F125 HydrophobicContact CG1-CE2 3.98Å; I107-D170 HydrophobicContact CD1-CB 3.73Å; I107-D170 HydrophobicContact CG1-CB 4.21Å; I107-D170 HydrophobicContact CG2-CB 4.42Å; I107-G171 VanDerWaalsContact CG2-N 3.32Å; I107-L174 HydrophobicContact CG2-CD1 3.8Å; I107-L174 HydrophobicContact CG2-CG 4.42Å |
| 108 | P | 91.4 | Very high | 89.2 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 146.1 | 174.8 | 31.1 | -37.6 | 0 | 0 | 0 | 112.3 | L93 F110 Q167 G171 | L93-P108 HydrophobicContact CD1-CB 4Å; L93-P108 HydrophobicContact CD2-CB 3.38Å; L93-P108 HydrophobicContact CD2-CG 3.76Å; L93-P108 HydrophobicContact CG-CB 4.35Å; P108-F110 HydrophobicContact CB-CE1 4.2Å; P108-F110 HydrophobicContact CB-CE2 3.9Å; P108-F110 HydrophobicContact CB-CZ 3.69Å; P108-F110 HydrophobicContact CG-CD2 4.32Å; P108-F110 HydrophobicContact CG-CE1 4.42Å; P108-F110 HydrophobicContact CG-CE2 3.39Å; P108-F110 HydrophobicContact CG-CZ 3.45Å; P108-F110 VanDerWaalsContact CG-CZ 3.45Å; P108-Q167 WeakPolarHBondContact CD-O 3.29Å; P108-G171 WeakPolarHBondContact O-CA 3.32Å |
| 109 | Y | 92.2 | Very high | 89.1 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.6 | 171 | 176.3 | -110.7 | 0 | 0 | 0 | 110.5 | I98 F100 G111 L112 H117 L118 A121 | I98-Y109 HydrophobicContact CB-CD1 4.42Å; I98-Y109 HydrophobicContact CD1-CD1 4.21Å; I98-Y109 PolarHBondContact O-N 2.96Å; F100-Y109 AromaticContact CE2-CD2 3.85Å; F100-Y109 HydrophobicContact CE2-CD2 3.85Å; F100-Y109 HydrophobicContact CE2-CG 4.11Å; F100-Y109 HydrophobicContact CZ-CD2 4.21Å; Y109-G111 VanDerWaalsContact CE1-O 3.32Å; Y109-G111 WeakPolarHBondContact CE1-O 3.42Å; Y109-G111 VanDerWaalsContact CZ-C 3.45Å; Y109-G111 VanDerWaalsContact OH-C 3.27Å; Y109-G111 WeakPolarHBondContact OH-CA 3.35Å; Y109-L112 WeakPolarHBondContact CE1-O 3.47Å; Y109-L112 PolarHBondContact OH-N 3.05Å; Y109-L112 PolarHBondContact OH-O 3.47Å; Y109-H117 WeakPolarHBondContact OH-CB 3.48Å; Y109-L118 HydrophobicContact CD1-CD1 3.57Å; Y109-L118 HydrophobicContact CD2-CD1 3.98Å; Y109-L118 HydrophobicContact CE1-CD1 3.71Å; Y109-L118 HydrophobicContact CE2-CD1 4.11Å; Y109-L118 HydrophobicContact CG-CD1 3.69Å; Y109-A121 HydrophobicContact CD2-CB 3.7Å; Y109-A121 HydrophobicContact CE2-CB 3.45Å; Y109-A121 VanDerWaalsContact CE2-CB 3.45Å |
| 110 | F | 90.9 | Very high | 89.1 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | trans | -112.2 | 9.8 | 178.7 | -59.9 | -67.8 | 0 | 0 | 0 | 113.7 | L93 P108 I168 L172 Y235 F239 | L93-F110 HydrophobicContact CD2-CE1 4.13Å; L93-F110 HydrophobicContact CD2-CZ 3.92Å; P108-F110 HydrophobicContact CB-CE1 4.2Å; P108-F110 HydrophobicContact CB-CE2 3.9Å; P108-F110 HydrophobicContact CB-CZ 3.69Å; P108-F110 HydrophobicContact CG-CD2 4.32Å; P108-F110 HydrophobicContact CG-CE1 4.42Å; P108-F110 HydrophobicContact CG-CE2 3.39Å; P108-F110 HydrophobicContact CG-CZ 3.45Å; P108-F110 VanDerWaalsContact CG-CZ 3.45Å; F110-I168 HydrophobicContact CE2-CG2 4.15Å; F110-I168 HydrophobicContact CZ-CG2 4.25Å; F110-L172 HydrophobicContact CB-CD2 4.01Å; F110-L172 HydrophobicContact CD2-CD2 3.63Å; F110-L172 HydrophobicContact CD2-CG 3.8Å; F110-L172 HydrophobicContact CE2-CD2 4.29Å; F110-L172 HydrophobicContact CE2-CG 4.11Å; F110-L172 HydrophobicContact CG-CD2 3.97Å; F110-Y235 AromaticContact CD1-CD2 3.81Å; F110-Y235 HydrophobicContact CD1-CD2 3.81Å; F110-Y235 AromaticContact CD1-CE2 3.95Å; F110-Y235 HydrophobicContact CD1-CE2 3.95Å; F110-Y235 HydrophobicContact CD1-CG 4.2Å; F110-Y235 AromaticContact CE1-CD2 3.65Å; F110-Y235 HydrophobicContact CE1-CD2 3.65Å; F110-Y235 HydrophobicContact CE1-CE1 4.24Å; F110-Y235 AromaticContact CE1-CE2 3.28Å; F110-Y235 HydrophobicContact CE1-CE2 3.28Å; F110-Y235 HydrophobicContact CE1-CG 4.24Å; F110-Y235 AromaticContact CE1-CZ 3.58Å; F110-Y235 HydrophobicContact CE2-CE1 4.46Å; F110-Y235 HydrophobicContact CZ-CD2 4.38Å; F110-Y235 HydrophobicContact CZ-CE1 4.01Å; F110-Y235 AromaticContact CZ-CE2 3.8Å; F110-Y235 HydrophobicContact CZ-CE2 3.8Å; F110-Y235 AromaticContact CZ-CZ 3.55Å; F110-F239 HydrophobicContact CB-CE2 3.76Å; F110-F239 HydrophobicContact CB-CZ 3.8Å; F110-F239 WeakPolarHBondContact O-CE2 3.4Å | ||
| 111 | G | 89.1 | Confident | 89.2 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -81.5 | -179.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y109 T175 | Y109-G111 VanDerWaalsContact CE1-O 3.32Å; Y109-G111 WeakPolarHBondContact CE1-O 3.42Å; Y109-G111 VanDerWaalsContact CZ-C 3.45Å; Y109-G111 VanDerWaalsContact OH-C 3.27Å; Y109-G111 WeakPolarHBondContact OH-CA 3.35Å; G111-T175 WeakPolarHBondContact CA-OG1 3.44Å; G111-T175 PolarHBondContact N-OG1 3.27Å |
| 112 | L | 89.6 | Confident | 89.2 | Confident | 109 Ų | 109 | 50.7 Ų | 50.7 | 57% | 0.571 | 25% | 0.25 | S | S | * | . | trans | -62 | 141.9 | 177.7 | -62.6 | 175 | 0 | 0 | 0 | 111.4 | Y109 H114 | Y109-L112 WeakPolarHBondContact CE1-O 3.47Å; Y109-L112 PolarHBondContact OH-N 3.05Å; Y109-L112 PolarHBondContact OH-O 3.47Å; L112-H114 PolarHBondContact O-N 2.77Å | ||
| 113 | L | 89.4 | Confident | 89.3 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -77 | 66.1 | 177.4 | -58.8 | 176.2 | 0 | 0 | 0 | 111.3 | M61 H62 L65 I98 | M61-L113 HydrophobicContact CB-CD1 3.99Å; H62-L113 WeakPolarHBondContact CE1-CD1 3.4Å; H62-L113 WeakPolarHBondContact NE2-CD2 3.38Å; L65-L113 HydrophobicContact CD2-CB 4.25Å; L65-L113 HydrophobicContact CD2-CD2 4.18Å; I98-L113 HydrophobicContact CD1-CD2 4.07Å |
| 114 | H | 90.2 | Very high | 89.7 | Confident | 102 Ų | 102 | 52.4 Ų | 52.4 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -141.8 | 138.7 | -178.9 | -175 | -85.7 | 0 | 0 | 0 | 110.2 | L112 T116 H117 L118 | L112-H114 PolarHBondContact O-N 2.77Å; H114-T116 PolarHBondContact CE1-OG1 2.96Å; H114-T116 VanDerWaalsContact CE1-OG1 3.29Å; H114-T116 PolarHBondContact ND1-N 2.89Å; H114-T116 PolarHBondContact ND1-OG1 2.81Å; H114-T116 PolarHBondContact O-N 2.86Å; H114-H117 PolarHBondContact O-N 2.94Å; H114-L118 PolarHBondContact O-N 3.01Å; H114-L118 VanDerWaalsContact O-N 3.12Å |
| 115 | R | 88.2 | Confident | 90.2 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -48.6 | -51.4 | -172.4 | -177 | -179.2 | 174.8 | -79.4 | 4.3 | 113.1 | L65 D72 H117 L118 I119 | L65-R115 HydrophobicContact CD1-CB 4.43Å; D72-R115 IonicContact OD1-CZ 2.75Å; D72-R115 IonicContact OD1-NH2 3.21Å; D72-R115 PolarHBondContact OD1-NH2 3.47Å; D72-R115 IonicContact OD2-CZ 3.35Å; D72-R115 IonicContact OD2-NE 4Å; D72-R115 PolarHBondContact OD2-NE 2.91Å; D72-R115 IonicContact OD2-NH2 3.44Å; D72-R115 PolarHBondContact OD2-NH2 3.47Å; R115-H117 VanDerWaalsContact C-N 3.31Å; R115-H117 PolarHBondContact O-N 3.37Å; R115-L118 PolarHBondContact O-N 2.79Å; R115-I119 HydrophobicContact CG-CG1 4.45Å; R115-I119 WeakPolarHBondContact O-CG1 3.37Å; R115-I119 PolarHBondContact O-N 2.68Å |
| 116 | T | 89.6 | Confident | 90.4 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -35.7 | -177 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | H114 N120 | H114-T116 PolarHBondContact CE1-OG1 2.96Å; H114-T116 VanDerWaalsContact CE1-OG1 3.29Å; H114-T116 PolarHBondContact ND1-N 2.89Å; H114-T116 PolarHBondContact ND1-OG1 2.81Å; H114-T116 PolarHBondContact O-N 2.86Å; T116-N120 WeakPolarHBondContact O-CB 3.37Å; T116-N120 PolarHBondContact O-N 2.97Å; T116-N120 VanDerWaalsContact O-N 3.11Å |
| 117 | H | 90.9 | Very high | 90.5 | Very high | 77 Ų | 77 | 46.4 Ų | 46.4 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -72.4 | -41 | 179.8 | -72.4 | -80.9 | 0 | 0 | 0 | 111 | Y109 H114 R115 N120 A121 | Y109-H117 WeakPolarHBondContact OH-CB 3.48Å; H114-H117 PolarHBondContact O-N 2.94Å; R115-H117 VanDerWaalsContact C-N 3.31Å; R115-H117 PolarHBondContact O-N 3.37Å; H117-N120 PolarHBondContact O-N 3.41Å; H117-A121 WeakPolarHBondContact O-CB 3Å; H117-A121 PolarHBondContact O-N 2.79Å |
| 118 | L | 91.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 176.6 | -170 | 76.6 | 0 | 0 | 0 | 111.9 | L48 F50 L65 I69 I98 F100 Y109 H114 R115 N120 A121 M122 | L48-L118 HydrophobicContact CD1-CD2 4.32Å; F50-L118 HydrophobicContact CZ-CD2 4.28Å; L65-L118 HydrophobicContact CD2-CD2 4.46Å; I69-L118 HydrophobicContact CD1-CD2 3.09Å; I69-L118 HydrophobicContact CD1-CG 4.47Å; I69-L118 HydrophobicContact CG1-CD2 4.2Å; I98-L118 HydrophobicContact CD1-CD1 4.4Å; I98-L118 HydrophobicContact CG2-CD1 4.11Å; F100-L118 HydrophobicContact CE1-CD1 4.32Å; F100-L118 HydrophobicContact CE2-CD1 4.48Å; F100-L118 HydrophobicContact CZ-CD1 3.7Å; F100-L118 HydrophobicContact CZ-CG 4.36Å; Y109-L118 HydrophobicContact CD1-CD1 3.57Å; Y109-L118 HydrophobicContact CD2-CD1 3.98Å; Y109-L118 HydrophobicContact CE1-CD1 3.71Å; Y109-L118 HydrophobicContact CE2-CD1 4.11Å; Y109-L118 HydrophobicContact CG-CD1 3.69Å; H114-L118 PolarHBondContact O-N 3.01Å; H114-L118 VanDerWaalsContact O-N 3.12Å; R115-L118 PolarHBondContact O-N 2.79Å; L118-N120 VanDerWaalsContact C-N 3.3Å; L118-N120 PolarHBondContact O-N 2.83Å; L118-A121 PolarHBondContact O-N 3.11Å; L118-M122 WeakPolarHBondContact O-CB 3.23Å; L118-M122 PolarHBondContact O-N 2.78Å |
| 119 | I | 89.2 | Confident | 90.6 | Very high | 51 Ų | 51 | 48 Ų | 48 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 176.9 | -66.1 | -63.9 | 0 | 0 | 0 | 111.3 | R115 M122 H123 | R115-I119 HydrophobicContact CG-CG1 4.45Å; R115-I119 WeakPolarHBondContact O-CG1 3.37Å; R115-I119 PolarHBondContact O-N 2.68Å; I119-M122 HydrophobicContact CD1-CE 3.69Å; I119-M122 WeakPolarHBondContact O-CB 3.4Å; I119-M122 PolarHBondContact O-N 3.3Å; I119-H123 PolarHBondContact O-N 3.21Å |
| 120 | N | 90.4 | Very high | 90.7 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 174.3 | -175.5 | 23.9 | 0 | 0 | 0 | 111.5 | T116 H117 L118 M122 H123 Q124 A178 | T116-N120 WeakPolarHBondContact O-CB 3.37Å; T116-N120 PolarHBondContact O-N 2.97Å; T116-N120 VanDerWaalsContact O-N 3.11Å; H117-N120 PolarHBondContact O-N 3.41Å; L118-N120 VanDerWaalsContact C-N 3.3Å; L118-N120 PolarHBondContact O-N 2.83Å; N120-M122 PolarHBondContact O-N 2.81Å; N120-H123 WeakPolarHBondContact O-CB 3.31Å; N120-H123 PolarHBondContact O-N 3.47Å; N120-H123 VanDerWaalsContact O-N 3.12Å; N120-Q124 WeakPolarHBondContact O-CG 3.28Å; N120-Q124 PolarHBondContact O-N 3.22Å; N120-Q124 PolarHBondContact OD1-NE2 3.03Å; N120-A178 WeakPolarHBondContact ND2-CB 3.31Å |
| 121 | A | 93 | Very high | 91 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -35.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F100 Y109 H117 L118 Q124 F125 L174 | F100-A121 HydrophobicContact CE2-CB 4.13Å; F100-A121 HydrophobicContact CZ-CB 3.91Å; Y109-A121 HydrophobicContact CD2-CB 3.7Å; Y109-A121 HydrophobicContact CE2-CB 3.45Å; Y109-A121 VanDerWaalsContact CE2-CB 3.45Å; H117-A121 WeakPolarHBondContact O-CB 3Å; H117-A121 PolarHBondContact O-N 2.79Å; L118-A121 PolarHBondContact O-N 3.11Å; A121-Q124 WeakPolarHBondContact O-CB 3.44Å; A121-Q124 PolarHBondContact O-N 3.21Å; A121-F125 WeakPolarHBondContact O-CB 3.42Å; A121-F125 PolarHBondContact O-N 2.98Å; A121-L174 HydrophobicContact CB-CB 4.22Å |
| 122 | M | 89.7 | Confident | 91.3 | Very high | 23 Ų | 23 | 51 Ų | 51 | 11% | 0.113 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 172.5 | -172.5 | 175.6 | 70.1 | 0 | 0 | 111.5 | Y75 F100 L118 I119 N120 Q124 F125 T126 | Y75-M122 HydrophobicContact CD2-CE 3.74Å; Y75-M122 HydrophobicContact CD2-SD 3.46Å; Y75-M122 WeakPolarHBondContact CD2-SD 3.24Å; Y75-M122 HydrophobicContact CE2-CE 4.2Å; Y75-M122 HydrophobicContact CE2-SD 3.3Å; Y75-M122 WeakPolarHBondContact CE2-SD 3.37Å; F100-M122 HydrophobicContact CD1-CB 4.42Å; F100-M122 HydrophobicContact CD1-CG 4.41Å; F100-M122 HydrophobicContact CE1-CB 3.62Å; F100-M122 HydrophobicContact CE1-CG 4.01Å; F100-M122 HydrophobicContact CZ-CB 4.26Å; L118-M122 WeakPolarHBondContact O-CB 3.23Å; L118-M122 PolarHBondContact O-N 2.78Å; I119-M122 HydrophobicContact CD1-CE 3.69Å; I119-M122 WeakPolarHBondContact O-CB 3.4Å; I119-M122 PolarHBondContact O-N 3.3Å; N120-M122 PolarHBondContact O-N 2.81Å; M122-Q124 VanDerWaalsContact C-N 3.3Å; M122-Q124 PolarHBondContact O-N 3.37Å; M122-F125 WeakPolarHBondContact O-CB 3.43Å; M122-F125 PolarHBondContact O-N 2.82Å; M122-F125 VanDerWaalsContact O-N 3.13Å; M122-T126 WeakPolarHBondContact O-CG2 3.49Å; M122-T126 PolarHBondContact O-N 3.03Å; M122-T126 PolarHBondContact O-OG1 3.41Å |
| 123 | H | 89.8 | Confident | 91.6 | Very high | 109 Ų | 109 | 49.5 Ų | 49.5 | 51% | 0.505 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 173.7 | 177.9 | -77.3 | 0 | 0 | 0 | 111.4 | I119 N120 F125 T126 T127 | I119-H123 PolarHBondContact O-N 3.21Å; N120-H123 WeakPolarHBondContact O-CB 3.31Å; N120-H123 PolarHBondContact O-N 3.47Å; N120-H123 VanDerWaalsContact O-N 3.12Å; H123-F125 VanDerWaalsContact C-N 3.32Å; H123-F125 PolarHBondContact O-N 3.27Å; H123-T126 PolarHBondContact O-N 3.25Å; H123-T126 PolarHBondContact O-OG1 3.46Å; H123-T127 WeakPolarHBondContact O-CG2 3.48Å; H123-T127 PolarHBondContact O-N 2.55Å; H123-T127 PolarHBondContact O-OG1 3.3Å |
| 124 | Q | 92.2 | Very high | 92 | Very high | 31 Ų | 31 | 46.8 Ų | 46.8 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 174.5 | -60.6 | -54.7 | -48.3 | 0 | 0 | 111 | N120 A121 M122 T127 G128 V129 L174 | N120-Q124 WeakPolarHBondContact O-CG 3.28Å; N120-Q124 PolarHBondContact O-N 3.22Å; N120-Q124 PolarHBondContact OD1-NE2 3.03Å; A121-Q124 WeakPolarHBondContact O-CB 3.44Å; A121-Q124 PolarHBondContact O-N 3.21Å; M122-Q124 VanDerWaalsContact C-N 3.3Å; M122-Q124 PolarHBondContact O-N 3.37Å; Q124-T127 WeakPolarHBondContact CA-OG1 3.36Å; Q124-T127 PolarHBondContact O-N 3.34Å; Q124-T127 PolarHBondContact O-OG1 3.07Å; Q124-G128 PolarHBondContact O-N 3.02Å; Q124-V129 HydrophobicContact CB-CB 4.06Å; Q124-V129 HydrophobicContact CB-CG2 3.95Å; Q124-V129 VanDerWaalsContact O-CB 3.3Å; Q124-V129 WeakPolarHBondContact O-CB 3.45Å; Q124-V129 WeakPolarHBondContact O-CG2 3.47Å; Q124-V129 PolarHBondContact O-N 3.19Å; Q124-L174 HydrophobicContact CB-CD2 3.86Å |
| 125 | F | 92.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 178.9 | 175.3 | -87.7 | 0 | 0 | 0 | 112.1 | A46 F100 N102 R105 I107 A121 M122 H123 T127 G128 L174 | A46-F125 HydrophobicContact CB-CD1 3.49Å; A46-F125 VanDerWaalsContact CB-CD1 3.49Å; A46-F125 HydrophobicContact CB-CE1 3.46Å; A46-F125 VanDerWaalsContact CB-CE1 3.46Å; F100-F125 HydrophobicContact CB-CB 4.42Å; F100-F125 HydrophobicContact CB-CD1 3.96Å; F100-F125 HydrophobicContact CB-CD2 3.44Å; F100-F125 VanDerWaalsContact CB-CD2 3.44Å; F100-F125 HydrophobicContact CB-CE1 4Å; F100-F125 HydrophobicContact CB-CE2 3.49Å; F100-F125 VanDerWaalsContact CB-CE2 3.49Å; F100-F125 HydrophobicContact CB-CG 3.67Å; F100-F125 HydrophobicContact CB-CZ 3.78Å; F100-F125 HydrophobicContact CD1-CB 4.48Å; F100-F125 HydrophobicContact CD1-CG 4.46Å; F100-F125 HydrophobicContact CD2-CD2 4.44Å; F100-F125 HydrophobicContact CG-CB 4.23Å; F100-F125 HydrophobicContact CG-CD1 4.48Å; F100-F125 HydrophobicContact CG-CD2 4.08Å; F100-F125 HydrophobicContact CG-CG 4.01Å; N102-F125 HydrophobicContact CB-CE1 3.97Å; N102-F125 HydrophobicContact CB-CZ 3.96Å; R105-F125 HydrophobicContact CB-CE2 4.32Å; R105-F125 HydrophobicContact CB-CZ 4.49Å; R105-F125 PolarHBondContact NH2-O 3.44Å; I107-F125 HydrophobicContact CB-CD2 4.08Å; I107-F125 HydrophobicContact CB-CE2 3.9Å; I107-F125 HydrophobicContact CD1-CD2 3.85Å; I107-F125 HydrophobicContact CD1-CE2 3.71Å; I107-F125 HydrophobicContact CG1-CD2 4.37Å; I107-F125 HydrophobicContact CG1-CE2 3.98Å; A121-F125 WeakPolarHBondContact O-CB 3.42Å; A121-F125 PolarHBondContact O-N 2.98Å; M122-F125 WeakPolarHBondContact O-CB 3.43Å; M122-F125 PolarHBondContact O-N 2.82Å; M122-F125 VanDerWaalsContact O-N 3.13Å; H123-F125 VanDerWaalsContact C-N 3.32Å; H123-F125 PolarHBondContact O-N 3.27Å; F125-T127 VanDerWaalsContact C-N 3.29Å; F125-T127 PolarHBondContact O-N 2.89Å; F125-G128 PolarHBondContact O-N 3.26Å; F125-L174 HydrophobicContact CB-CD1 4.02Å; F125-L174 HydrophobicContact CB-CD2 3.94Å; F125-L174 HydrophobicContact CD2-CD1 4.3Å |
| 126 | T | 90.3 | Very high | 92.5 | Very high | 26 Ų | 26 | 42.9 Ų | 42.9 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.4 | -31 | -179.9 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | S44 A46 M122 H123 G128 | S44-T126 WeakPolarHBondContact O-CG2 3.18Å; A46-T126 HydrophobicContact CB-CG2 4.27Å; M122-T126 WeakPolarHBondContact O-CG2 3.49Å; M122-T126 PolarHBondContact O-N 3.03Å; M122-T126 PolarHBondContact O-OG1 3.41Å; H123-T126 PolarHBondContact O-N 3.25Å; H123-T126 PolarHBondContact O-OG1 3.46Å; T126-G128 PolarHBondContact O-N 3.3Å |
| 127 | T | 90.2 | Very high | 92.6 | Very high | 81 Ų | 81 | 43.3 Ų | 43.3 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 3.9 | 172.7 | 58.9 | 0 | 0 | 0 | 0 | 114.8 | H123 Q124 F125 | H123-T127 WeakPolarHBondContact O-CG2 3.48Å; H123-T127 PolarHBondContact O-N 2.55Å; H123-T127 PolarHBondContact O-OG1 3.3Å; Q124-T127 WeakPolarHBondContact CA-OG1 3.36Å; Q124-T127 PolarHBondContact O-N 3.34Å; Q124-T127 PolarHBondContact O-OG1 3.07Å; F125-T127 VanDerWaalsContact C-N 3.29Å; F125-T127 PolarHBondContact O-N 2.89Å |
| 128 | G | 91.2 | Very high | 92.8 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 19.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q124 F125 T126 Q130 | Q124-G128 PolarHBondContact O-N 3.02Å; F125-G128 PolarHBondContact O-N 3.26Å; T126-G128 PolarHBondContact O-N 3.3Å; G128-Q130 PolarHBondContact O-N 3.28Å |
| 129 | V | 93.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | trans | -60.8 | 131.9 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | R105 Q124 L174 R177 | R105-V129 PolarHBondContact NH1-O 2.83Å; Q124-V129 HydrophobicContact CB-CB 4.06Å; Q124-V129 HydrophobicContact CB-CG2 3.95Å; Q124-V129 VanDerWaalsContact O-CB 3.3Å; Q124-V129 WeakPolarHBondContact O-CB 3.45Å; Q124-V129 WeakPolarHBondContact O-CG2 3.47Å; Q124-V129 PolarHBondContact O-N 3.19Å; V129-L174 HydrophobicContact CB-CD2 4.09Å; V129-L174 HydrophobicContact CG1-CD2 4.21Å; V129-R177 HydrophobicContact CG1-CB 4.11Å; V129-R177 HydrophobicContact CG1-CG 4.13Å; V129-R177 HydrophobicContact CG2-CG 4.39Å | ||
| 130 | Q | 94.6 | Very high | 93 | Very high | 108 Ų | 108 | 41.2 Ų | 41.2 | 51% | 0.505 | 23% | 0.229 | S | C | . | . | trans | -154.1 | 164.3 | 179.4 | 66.5 | -177.6 | 13 | 0 | 0 | 109.6 | G128 D170 | G128-Q130 PolarHBondContact O-N 3.28Å; Q130-D170 HydrophobicContact CB-CB 4.48Å; Q130-D170 WeakPolarHBondContact CB-OD1 3.44Å | ||
| 131 | S | 95.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | trans | -66.8 | 145.3 | 172.9 | 59.7 | 0 | 0 | 0 | 0 | 111.1 | R133 D170 S173 I183 | S131-R133 WeakPolarHBondContact O-CD 3.44Å; S131-R133 PolarHBondContact O-NH1 3.32Å; S131-R133 PolarHBondContact OG-NH1 3.38Å; S131-D170 WeakPolarHBondContact CB-OD1 3.48Å; S131-D170 PolarHBondContact N-OD1 3.13Å; S131-D170 PolarHBondContact OG-OD1 2.9Å; S131-S173 WeakPolarHBondContact CA-OG 3.49Å; S131-S173 WeakPolarHBondContact CB-OG 3.2Å; S131-S173 PolarHBondContact N-OG 3.21Å; S131-I183 CarbonylContact C-O 3.54Å; S131-I183 WeakPolarHBondContact CA-O 3.39Å | ||
| 132 | A | 95.9 | Very high | 92.8 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 20% | 0.198 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L134 W154 I183 G184 V185 | A132-L134 HydrophobicContact CB-CD2 3.88Å; A132-L134 HydrophobicContact CB-CG 4.18Å; A132-L134 PolarHBondContact O-N 3.43Å; A132-W154 HydrophobicContact CB-CH2 3.87Å; A132-W154 HydrophobicContact CB-CZ3 3.65Å; A132-I183 PolarHBondContact N-O 3.3Å; A132-G184 CarbonylContact O-C 3.26Å; A132-G184 WeakPolarHBondContact O-CA 3.45Å; A132-V185 PolarHBondContact O-N 3.33Å |
| 133 | R | 96.9 | Very high | 92.9 | Very high | 76 Ų | 76 | 46.7 Ų | 46.7 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 100.6 | 173.2 | -77 | 62.5 | 166.6 | 170.2 | 4 | 106.8 | S131 N138 L166 D170 | S131-R133 WeakPolarHBondContact O-CD 3.44Å; S131-R133 PolarHBondContact O-NH1 3.32Å; S131-R133 PolarHBondContact OG-NH1 3.38Å; R133-N138 PolarHBondContact O-ND2 3.14Å; R133-L166 HydrophobicContact CG-CD2 3.95Å; R133-D170 IonicContact CZ-OD1 2.63Å; R133-D170 IonicContact CZ-OD2 3.42Å; R133-D170 IonicContact NH1-OD1 2.91Å; R133-D170 PolarHBondContact NH1-OD1 3.35Å; R133-D170 IonicContact NH1-OD2 2.74Å; R133-D170 PolarHBondContact NH1-OD2 2.84Å; R133-D170 IonicContact NH2-OD1 3.56Å; R133-D170 PolarHBondContact NH2-OD1 3.09Å; R133-D170 IonicContact NH2-OD2 3.4Å; R133-D170 PolarHBondContact NH2-OD2 2.59Å |
| 134 | L | 96.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 143.9 | -173.3 | -60 | 179.9 | 0 | 0 | 0 | 111 | A132 N138 F139 D142 T143 V156 V185 L186 | A132-L134 HydrophobicContact CB-CD2 3.88Å; A132-L134 HydrophobicContact CB-CG 4.18Å; A132-L134 PolarHBondContact O-N 3.43Å; L134-N138 VanDerWaalsContact CA-OD1 3.23Å; L134-N138 WeakPolarHBondContact CA-OD1 3.39Å; L134-F139 HydrophobicContact CB-CD2 4.32Å; L134-F139 HydrophobicContact CD1-CD2 3.84Å; L134-F139 HydrophobicContact CD1-CE2 4.12Å; L134-D142 HydrophobicContact CD2-CB 4.03Å; L134-T143 HydrophobicContact CD1-CG2 3.77Å; L134-T143 HydrophobicContact CD2-CG2 4.36Å; L134-V156 HydrophobicContact CD1-CG1 4.31Å; L134-V156 HydrophobicContact CD1-CG2 4.12Å; L134-V185 PolarHBondContact N-O 3.34Å; L134-L186 HydrophobicContact CB-CB 4.17Å; L134-L186 HydrophobicContact CB-CD1 4.12Å |
| 135 | D | 95.7 | Very high | 92.1 | Very high | 67 Ų | 67 | 43.2 Ų | 43.2 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | trans | -141.9 | 179.2 | 174.6 | 66.6 | 26.9 | 0 | 0 | 0 | 111.9 | A137 N138 F139 S191 | D135-A137 PolarHBondContact O-N 3.18Å; D135-A137 VanDerWaalsContact O-N 3.11Å; D135-A137 WeakPolarHBondContact OD1-CA 3.31Å; D135-A137 WeakPolarHBondContact OD1-CB 3.31Å; D135-A137 PolarHBondContact OD1-N 2.74Å; D135-N138 PolarHBondContact N-OD1 2.94Å; D135-N138 PolarHBondContact O-N 3.03Å; D135-N138 PolarHBondContact O-OD1 3.21Å; D135-N138 PolarHBondContact OD1-N 2.91Å; D135-N138 PolarHBondContact OD1-OD1 2.78Å; D135-F139 WeakPolarHBondContact O-CB 3.17Å; D135-F139 PolarHBondContact O-N 3.49Å; D135-S191 WeakPolarHBondContact CA-OG 3.03Å; D135-S191 WeakPolarHBondContact CB-OG 3.32Å | ||
| 136 | D | 93.8 | Very high | 91.3 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.3 | 178.6 | -77.8 | -22.4 | 0 | 0 | 0 | 114.3 | S191 T192 R193 T194 | D136-S191 PolarHBondContact N-OG 2.72Å; D136-S191 WeakPolarHBondContact OD1-CB 3.39Å; D136-S191 VanDerWaalsContact OD2-C 3.31Å; D136-S191 WeakPolarHBondContact OD2-CA 3.24Å; D136-T192 PolarHBondContact OD2-N 3.31Å; D136-R193 PolarHBondContact O-NH2 2.93Å; D136-R193 WeakPolarHBondContact OD2-CB 3.26Å; D136-R193 PolarHBondContact OD2-N 2.74Å; D136-R193 VanDerWaalsContact OD2-N 3.09Å; D136-T194 WeakPolarHBondContact OD1-CB 2.98Å; D136-T194 PolarHBondContact OD1-N 2.68Å; D136-T194 PolarHBondContact OD1-OG1 2.82Å |
| 137 | A | 92.3 | Very high | 90.5 | Very high | 86 Ų | 86 | 48.8 Ų | 48.8 | 71% | 0.711 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -40.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D135 | D135-A137 PolarHBondContact O-N 3.18Å; D135-A137 VanDerWaalsContact O-N 3.11Å; D135-A137 WeakPolarHBondContact OD1-CA 3.31Å; D135-A137 WeakPolarHBondContact OD1-CB 3.31Å; D135-A137 PolarHBondContact OD1-N 2.74Å |
| 138 | N | 93.5 | Very high | 89.5 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -17.4 | -174.7 | 73.5 | 7.2 | 0 | 0 | 0 | 114.1 | R133 L134 D135 E140 H141 D142 | R133-N138 PolarHBondContact O-ND2 3.14Å; L134-N138 VanDerWaalsContact CA-OD1 3.23Å; L134-N138 WeakPolarHBondContact CA-OD1 3.39Å; D135-N138 PolarHBondContact N-OD1 2.94Å; D135-N138 PolarHBondContact O-N 3.03Å; D135-N138 PolarHBondContact O-OD1 3.21Å; D135-N138 PolarHBondContact OD1-N 2.91Å; D135-N138 PolarHBondContact OD1-OD1 2.78Å; N138-E140 VanDerWaalsContact C-N 3.31Å; N138-E140 PolarHBondContact O-N 3.28Å; N138-E140 VanDerWaalsContact O-N 3.17Å; N138-H141 PolarHBondContact O-N 2.88Å; N138-D142 PolarHBondContact O-N 2.79Å |
| 139 | F | 94 | Very high | 88.3 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -51.6 | -49.8 | -170.9 | 178.5 | -84 | 0 | 0 | 0 | 112.3 | L134 D135 T143 A145 V156 L186 T194 F198 L218 | L134-F139 HydrophobicContact CB-CD2 4.32Å; L134-F139 HydrophobicContact CD1-CD2 3.84Å; L134-F139 HydrophobicContact CD1-CE2 4.12Å; D135-F139 WeakPolarHBondContact O-CB 3.17Å; D135-F139 PolarHBondContact O-N 3.49Å; F139-T143 HydrophobicContact CD2-CG2 4.3Å; F139-T143 HydrophobicContact CE2-CG2 4.18Å; F139-T143 HydrophobicContact CZ-CG2 4.31Å; F139-T143 VanDerWaalsContact O-CB 3.29Å; F139-T143 WeakPolarHBondContact O-CB 3.34Å; F139-T143 VanDerWaalsContact O-CG2 3.32Å; F139-T143 WeakPolarHBondContact O-CG2 3.44Å; F139-T143 PolarHBondContact O-N 2.89Å; F139-T143 PolarHBondContact O-OG1 2.84Å; F139-A145 HydrophobicContact CE1-CB 3.96Å; F139-V156 HydrophobicContact CE2-CG1 4.08Å; F139-V156 HydrophobicContact CE2-CG2 4Å; F139-V156 HydrophobicContact CZ-CG2 4.49Å; F139-L186 HydrophobicContact CD2-CD1 4.12Å; F139-T194 HydrophobicContact CB-CG2 4.42Å; F139-T194 HydrophobicContact CD1-CG2 4.24Å; F139-T194 HydrophobicContact CD2-CG2 3.75Å; F139-T194 HydrophobicContact CE2-CG2 4.03Å; F139-T194 HydrophobicContact CG-CG2 3.87Å; F139-T194 HydrophobicContact CZ-CG2 4.42Å; F139-F198 HydrophobicContact CD1-CE2 4.42Å; F139-F198 AromaticContact CE1-CE2 3.55Å; F139-F198 HydrophobicContact CE1-CE2 3.55Å; F139-F198 AromaticContact CE1-CZ 3.64Å; F139-F198 HydrophobicContact CE1-CZ 3.64Å; F139-F198 HydrophobicContact CE2-CE2 4.05Å; F139-F198 HydrophobicContact CZ-CD2 4.44Å; F139-F198 AromaticContact CZ-CE2 3.32Å; F139-F198 HydrophobicContact CZ-CE2 3.32Å; F139-F198 AromaticContact CZ-CZ 3.51Å; F139-F198 HydrophobicContact CZ-CZ 3.51Å; F139-L218 HydrophobicContact CZ-CD1 4.07Å |
| 140 | E | 91.2 | Very high | 87 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.6 | -37.7 | -176.8 | -169.1 | 60.5 | -133.3 | 0 | 0 | 112.2 | N138 Q144 A145 S146 R197 | N138-E140 VanDerWaalsContact C-N 3.31Å; N138-E140 PolarHBondContact O-N 3.28Å; N138-E140 VanDerWaalsContact O-N 3.17Å; E140-Q144 VanDerWaalsContact O-CA 3.31Å; E140-Q144 WeakPolarHBondContact O-CA 3.29Å; E140-Q144 PolarHBondContact O-N 2.6Å; E140-A145 PolarHBondContact OE1-N 3.06Å; E140-S146 WeakPolarHBondContact OE1-CA 3.48Å; E140-S146 WeakPolarHBondContact OE1-CB 3.35Å; E140-S146 PolarHBondContact OE1-N 2.81Å; E140-S146 PolarHBondContact OE1-OG 3.33Å; E140-R197 IonicContact OE2-CZ 3.39Å; E140-R197 IonicContact OE2-NH1 2.79Å; E140-R197 PolarHBondContact OE2-NH1 3.32Å; E140-R197 IonicContact OE2-NH2 3.01Å; E140-R197 PolarHBondContact OE2-NH2 3.04Å |
| 141 | H | 89.4 | Confident | 85.8 | Confident | 146 Ų | 146 | 49.1 Ų | 49.1 | 68% | 0.676 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.7 | -45.9 | 178.3 | 174.5 | -89.9 | 0 | 0 | 0 | 111.4 | N138 | N138-H141 PolarHBondContact O-N 2.88Å |
| 142 | D | 91 | Very high | 85.2 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -81.7 | -41.5 | -172.6 | -68 | -4 | 0 | 0 | 0 | 112.1 | L134 N138 W154 | L134-D142 HydrophobicContact CD2-CB 4.03Å; N138-D142 PolarHBondContact O-N 2.79Å; D142-W154 WeakPolarHBondContact O-CZ2 3.39Å |
| 143 | T | 91.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -83.2 | -23.9 | -178.4 | 67.1 | 0 | 0 | 0 | 0 | 113 | L134 F139 A145 T150 W154 | L134-T143 HydrophobicContact CD1-CG2 3.77Å; L134-T143 HydrophobicContact CD2-CG2 4.36Å; F139-T143 HydrophobicContact CD2-CG2 4.3Å; F139-T143 HydrophobicContact CE2-CG2 4.18Å; F139-T143 HydrophobicContact CZ-CG2 4.31Å; F139-T143 VanDerWaalsContact O-CB 3.29Å; F139-T143 WeakPolarHBondContact O-CB 3.34Å; F139-T143 VanDerWaalsContact O-CG2 3.32Å; F139-T143 WeakPolarHBondContact O-CG2 3.44Å; F139-T143 PolarHBondContact O-N 2.89Å; F139-T143 PolarHBondContact O-OG1 2.84Å; T143-A145 PolarHBondContact O-N 3.17Å; T143-A145 WeakPolarHBondContact OG1-CB 3.46Å; T143-A145 PolarHBondContact OG1-N 2.78Å; T143-T150 VanDerWaalsContact O-CG2 3.24Å; T143-T150 WeakPolarHBondContact O-CG2 3.42Å; T143-W154 HydrophobicContact CG2-CD2 4.04Å; T143-W154 HydrophobicContact CG2-CE3 4.15Å; T143-W154 HydrophobicContact CG2-CG 4.38Å |
| 144 | Q | 86.6 | Confident | 85.1 | Confident | 65 Ų | 65 | 48.5 Ų | 48.5 | 30% | 0.304 | 29% | 0.294 | S | S | . | . | trans | 51.5 | 33.4 | -171.1 | -56.5 | -174.7 | 24.5 | 0 | 0 | 112.9 | E140 S146 T147 S149 T150 | E140-Q144 VanDerWaalsContact O-CA 3.31Å; E140-Q144 WeakPolarHBondContact O-CA 3.29Å; E140-Q144 PolarHBondContact O-N 2.6Å; Q144-S146 PolarHBondContact O-N 3.04Å; Q144-T147 PolarHBondContact O-N 3.35Å; Q144-T147 PolarHBondContact O-OG1 3.01Å; Q144-S149 PolarHBondContact OE1-O 3.39Å; Q144-T150 HydrophobicContact CB-CG2 4.43Å; Q144-T150 WeakPolarHBondContact O-CG2 3.34Å | ||
| 145 | A | 79.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -40.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F139 E140 T143 L218 I254 | F139-A145 HydrophobicContact CE1-CB 3.96Å; E140-A145 PolarHBondContact OE1-N 3.06Å; T143-A145 PolarHBondContact O-N 3.17Å; T143-A145 WeakPolarHBondContact OG1-CB 3.46Å; T143-A145 PolarHBondContact OG1-N 2.78Å; A145-L218 HydrophobicContact CB-CD1 3.81Å; A145-I254 HydrophobicContact CB-CG2 3.98Å; A145-I254 WeakPolarHBondContact O-CD1 3.37Å |
| 146 | S | 73.9 | Confident | 85.2 | Confident | 55 Ų | 55 | 45.1 Ų | 45.1 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -24 | -174.6 | 71.1 | 0 | 0 | 0 | 0 | 114.4 | E140 Q144 G148 | E140-S146 WeakPolarHBondContact OE1-CA 3.48Å; E140-S146 WeakPolarHBondContact OE1-CB 3.35Å; E140-S146 PolarHBondContact OE1-N 2.81Å; E140-S146 PolarHBondContact OE1-OG 3.33Å; Q144-S146 PolarHBondContact O-N 3.04Å; S146-G148 VanDerWaalsContact C-N 3.35Å |
| 147 | T | 74.7 | Confident | 85.3 | Confident | 92 Ų | 92 | 43.3 Ų | 43.3 | 56% | 0.564 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -18.6 | -178.4 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | Q144 S149 | Q144-T147 PolarHBondContact O-N 3.35Å; Q144-T147 PolarHBondContact O-OG1 3.01Å; T147-S149 PolarHBondContact O-N 3.07Å |
| 148 | G | 68.5 | Low | 85.5 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 75.8 | 2.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | S146 T150 S221 | S146-G148 VanDerWaalsContact C-N 3.35Å; G148-T150 VanDerWaalsContact C-N 3.27Å; G148-T150 PolarHBondContact O-N 2.89Å; G148-S221 WeakPolarHBondContact CA-OG 3.48Å |
| 149 | S | 65.4 | Low | 85.6 | Confident | 80 Ų | 80 | 38 Ų | 38 | 56% | 0.559 | 23% | 0.226 | S | C | * | . | trans | -90.6 | 24.4 | -179.7 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | Q144 T147 T151 | Q144-S149 PolarHBondContact OE1-O 3.39Å; T147-S149 PolarHBondContact O-N 3.07Å; S149-T151 PolarHBondContact O-N 3.33Å | ||
| 150 | T | 66 | Low | 85.5 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 17% | 0.166 | 25% | 0.247 | C | C | . | . | trans | -55.8 | 128.8 | -172.5 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | T143 Q144 G148 G152 | T143-T150 VanDerWaalsContact O-CG2 3.24Å; T143-T150 WeakPolarHBondContact O-CG2 3.42Å; Q144-T150 HydrophobicContact CB-CG2 4.43Å; Q144-T150 WeakPolarHBondContact O-CG2 3.34Å; G148-T150 VanDerWaalsContact C-N 3.27Å; G148-T150 PolarHBondContact O-N 2.89Å; T150-G152 WeakPolarHBondContact CB-O 3.13Å; T150-G152 PolarHBondContact O-N 3.01Å; T150-G152 PolarHBondContact OG1-O 3.22Å | ||
| 151 | T | 69.2 | Low | 85.6 | Confident | 99 Ų | 99 | 42.8 Ų | 42.8 | 61% | 0.607 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -76.6 | 66.2 | 170.9 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | S149 N182 | S149-T151 PolarHBondContact O-N 3.33Å; T151-N182 PolarHBondContact O-ND2 2.98Å |
| 152 | G | 85.1 | Confident | 85.6 | Confident | 30 Ų | 30 | 37.8 Ų | 37.8 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 102.1 | -178 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | T150 | T150-G152 WeakPolarHBondContact CB-O 3.13Å; T150-G152 PolarHBondContact O-N 3.01Å; T150-G152 PolarHBondContact OG1-O 3.22Å |
| 153 | N | 93.7 | Very high | 85.5 | Confident | 35 Ų | 35 | 39.8 Ų | 39.8 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 143 | 178.7 | -54.4 | -43.6 | 0 | 0 | 0 | 109.5 | H180 V181 N182 L217 L218 K219 | N153-H180 PolarHBondContact N-O 3.44Å; N153-V181 HydrophobicContact CB-CG2 4.23Å; N153-V181 CarbonylContact O-C 3.54Å; N153-V181 WeakPolarHBondContact O-CA 3.17Å; N153-N182 PolarHBondContact O-N 3.38Å; N153-L217 HydrophobicContact CB-CD1 4.36Å; N153-L218 WeakPolarHBondContact CA-O 3.32Å; N153-K219 WeakPolarHBondContact OD1-CG 3.39Å |
| 154 | W | 95.7 | Very high | 85.2 | Confident | 22 Ų | 22 | 44 Ų | 44 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 116.6 | 178.5 | -79.2 | 89.5 | 0 | 0 | 0 | 110.8 | A132 D142 T143 V156 N182 L217 L218 | A132-W154 HydrophobicContact CB-CH2 3.87Å; A132-W154 HydrophobicContact CB-CZ3 3.65Å; D142-W154 WeakPolarHBondContact O-CZ2 3.39Å; T143-W154 HydrophobicContact CG2-CD2 4.04Å; T143-W154 HydrophobicContact CG2-CE3 4.15Å; T143-W154 HydrophobicContact CG2-CG 4.38Å; W154-V156 HydrophobicContact CB-CG2 4.5Å; W154-N182 CarbonylContact C-O 3.58Å; W154-N182 WeakPolarHBondContact CA-O 3.34Å; W154-N182 HydrophobicContact CD2-CB 3.6Å; W154-N182 HydrophobicContact CE3-CB 3.56Å; W154-N182 HydrophobicContact CG-CB 4.21Å; W154-N182 HydrophobicContact CH2-CB 4.06Å; W154-N182 HydrophobicContact CZ2-CB 4.08Å; W154-N182 HydrophobicContact CZ3-CB 3.79Å; W154-L217 CarbonylContact O-C 3.55Å; W154-L217 WeakPolarHBondContact O-CA 3.49Å; W154-L218 HydrophobicContact CB-CB 4.15Å; W154-L218 HydrophobicContact CB-CD1 4.22Å; W154-L218 HydrophobicContact CB-CG 4.42Å; W154-L218 PolarHBondContact N-O 3.49Å; W154-L218 PolarHBondContact O-N 3.29Å |
| 155 | L | 97.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 112 | 163.8 | 177.3 | 70.7 | 0 | 0 | 0 | 108 | I157 L176 V181 N182 I183 G184 A215 I216 L217 I238 F241 A242 | L155-I157 HydrophobicContact CD2-CD1 4.06Å; L155-I157 HydrophobicContact CD2-CG1 4.3Å; L155-I157 HydrophobicContact CG-CD1 4.44Å; L155-I157 HydrophobicContact CG-CG1 4.14Å; L155-L176 HydrophobicContact CD2-CD1 3.64Å; L155-V181 HydrophobicContact CB-CG1 3.87Å; L155-N182 PolarHBondContact N-O 3.11Å; L155-I183 HydrophobicContact CD2-CG1 4.44Å; L155-I183 CarbonylContact O-C 3.44Å; L155-I183 VanDerWaalsContact O-CA 3.3Å; L155-I183 WeakPolarHBondContact O-CA 3.36Å; L155-G184 PolarHBondContact O-N 3.2Å; L155-A215 HydrophobicContact CD1-CB 4.36Å; L155-I216 CarbonylContact C-O 3.55Å; L155-I216 WeakPolarHBondContact CA-O 3.45Å; L155-L217 HydrophobicContact CB-CD1 4.34Å; L155-I238 HydrophobicContact CD2-CG2 3.69Å; L155-F241 HydrophobicContact CD1-CD1 3.67Å; L155-F241 HydrophobicContact CD1-CE1 3.75Å; L155-A242 HydrophobicContact CD2-CB 4.19Å |
| 156 | V | 97.1 | Very high | 86 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.8 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | L134 F139 W154 F158 G184 A215 I216 L218 | L134-V156 HydrophobicContact CD1-CG1 4.31Å; L134-V156 HydrophobicContact CD1-CG2 4.12Å; F139-V156 HydrophobicContact CE2-CG1 4.08Å; F139-V156 HydrophobicContact CE2-CG2 4Å; F139-V156 HydrophobicContact CZ-CG2 4.49Å; W154-V156 HydrophobicContact CB-CG2 4.5Å; V156-F158 HydrophobicContact CG1-CE2 4.02Å; V156-F158 HydrophobicContact CG1-CZ 4.11Å; V156-G184 CarbonylContact C-O 3.53Å; V156-G184 VanDerWaalsContact CA-O 3.31Å; V156-G184 WeakPolarHBondContact CA-O 3.46Å; V156-A215 WeakPolarHBondContact O-CA 3.43Å; V156-I216 HydrophobicContact CB-CD1 4.23Å; V156-I216 HydrophobicContact CB-CG1 3.73Å; V156-I216 HydrophobicContact CG1-CG1 4.48Å; V156-I216 HydrophobicContact CG2-CG1 4.41Å; V156-I216 PolarHBondContact N-O 3.33Å; V156-I216 PolarHBondContact O-N 3.37Å; V156-L218 HydrophobicContact CG2-CD1 4.25Å |
| 157 | I | 97.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.7 | 179.5 | -58 | 176.4 | 0 | 0 | 0 | 108.6 | L155 D159 Y169 I183 G184 V185 L186 I213 I238 | L155-I157 HydrophobicContact CD2-CD1 4.06Å; L155-I157 HydrophobicContact CD2-CG1 4.3Å; L155-I157 HydrophobicContact CG-CD1 4.44Å; L155-I157 HydrophobicContact CG-CG1 4.14Å; I157-D159 HydrophobicContact CG2-CB 4.15Å; I157-Y169 HydrophobicContact CB-CE1 4.27Å; I157-Y169 HydrophobicContact CD1-CD1 3.58Å; I157-Y169 HydrophobicContact CD1-CE1 3.41Å; I157-Y169 VanDerWaalsContact CD1-CE1 3.41Å; I157-Y169 HydrophobicContact CG1-CE1 4.41Å; I157-Y169 HydrophobicContact CG2-CE1 3.79Å; I157-Y169 WeakPolarHBondContact CG2-OH 3.49Å; I157-I183 HydrophobicContact CD1-CG2 4.15Å; I157-G184 PolarHBondContact N-O 2.84Å; I157-V185 WeakPolarHBondContact O-CA 3.46Å; I157-L186 PolarHBondContact O-N 2.82Å; I157-I213 HydrophobicContact CG2-CD1 3.8Å; I157-I238 HydrophobicContact CD1-CG2 4.48Å |
| 158 | F | 96.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 101.4 | 175.2 | -60.3 | -97.6 | 0 | 0 | 0 | 108.4 | V156 L186 P188 F198 I200 S214 I216 | V156-F158 HydrophobicContact CG1-CE2 4.02Å; V156-F158 HydrophobicContact CG1-CZ 4.11Å; F158-L186 VanDerWaalsContact CA-O 3.29Å; F158-L186 WeakPolarHBondContact CA-O 3.07Å; F158-L186 HydrophobicContact CD1-CD2 3.58Å; F158-L186 HydrophobicContact CE1-CD2 3.72Å; F158-P188 HydrophobicContact CB-CG 4.47Å; F158-F198 HydrophobicContact CZ-CB 4.2Å; F158-F198 HydrophobicContact CZ-CD2 4.04Å; F158-F198 HydrophobicContact CZ-CG 4.34Å; F158-I200 HydrophobicContact CB-CG2 3.95Å; F158-I200 HydrophobicContact CD1-CB 4.25Å; F158-I200 HydrophobicContact CD1-CG1 3.95Å; F158-I200 HydrophobicContact CD1-CG2 4.04Å; F158-I200 HydrophobicContact CD2-CD1 4.08Å; F158-I200 HydrophobicContact CD2-CG1 3.91Å; F158-I200 HydrophobicContact CD2-CG2 4.38Å; F158-I200 HydrophobicContact CE1-CB 4.42Å; F158-I200 HydrophobicContact CE1-CG1 3.78Å; F158-I200 HydrophobicContact CE2-CD1 3.96Å; F158-I200 HydrophobicContact CE2-CG1 3.73Å; F158-I200 HydrophobicContact CG-CB 4.42Å; F158-I200 HydrophobicContact CG-CG1 4.02Å; F158-I200 HydrophobicContact CG-CG2 3.88Å; F158-I200 HydrophobicContact CZ-CD1 4.37Å; F158-I200 HydrophobicContact CZ-CG1 3.68Å; F158-S214 PolarHBondContact N-O 3.13Å; F158-S214 PolarHBondContact O-N 2.81Å; F158-I216 HydrophobicContact CE2-CB 4.49Å; F158-I216 HydrophobicContact CE2-CD1 3.78Å; F158-I216 HydrophobicContact CE2-CG1 3.83Å; F158-I216 HydrophobicContact CE2-CG2 4.02Å; F158-I216 HydrophobicContact CZ-CD1 3.91Å; F158-I216 HydrophobicContact CZ-CG1 4.44Å |
| 159 | D | 94.5 | Very high | 88.9 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | trans | -151.7 | 161.6 | -177.8 | -171 | 15.5 | 0 | 0 | 0 | 109.8 | I157 I161 Y169 L186 D187 I213 R232 | I157-D159 HydrophobicContact CG2-CB 4.15Å; D159-I161 PolarHBondContact O-N 3.26Å; D159-Y169 HydrophobicContact CB-CE2 4.14Å; D159-Y169 WeakPolarHBondContact CB-OH 3.22Å; D159-Y169 VanDerWaalsContact CG-OH 3.3Å; D159-Y169 PolarHBondContact OD2-OH 2.98Å; D159-L186 PolarHBondContact N-O 3.36Å; D159-L186 VanDerWaalsContact N-O 3.14Å; D159-L186 CarbonylContact O-C 3.54Å; D159-D187 VanDerWaalsContact O-CA 3.31Å; D159-D187 WeakPolarHBondContact O-CA 3.3Å; D159-I213 HydrophobicContact CB-CB 4.44Å; D159-I213 HydrophobicContact CB-CG2 3.74Å; D159-I213 VanDerWaalsContact CG-CG2 3.45Å; D159-R232 IonicContact OD1-CZ 3.75Å; D159-R232 IonicContact OD1-NE 3.77Å; D159-R232 IonicContact OD1-NH2 2.84Å; D159-R232 PolarHBondContact OD1-NH2 2.8Å; D159-R232 IonicContact OD2-CZ 3.42Å; D159-R232 IonicContact OD2-NE 2.79Å; D159-R232 PolarHBondContact OD2-NE 2.84Å; D159-R232 IonicContact OD2-NH2 3.2Å; D159-R232 PolarHBondContact OD2-NH2 2.83Å | ||
| 160 | E | 92.2 | Very high | 90.3 | Very high | 98 Ų | 98 | 33.2 Ų | 33.2 | 46% | 0.458 | 19% | 0.189 | S | C | . | . | trans | -62.1 | 129.9 | 173.1 | -172 | 175.3 | -174.5 | 0 | 0 | 111.1 | T162 T165 | E160-T162 HydrophobicContact CG-CG2 3.99Å; E160-T162 PolarHBondContact O-N 3.11Å; E160-T165 PolarHBondContact O-OG1 3.38Å | ||
| 161 | I | 92.5 | Very high | 91.7 | Very high | 51 Ų | 51 | 32 Ų | 32 | 26% | 0.262 | 18% | 0.181 | S | C | . | . | trans | -89.8 | 106.6 | -179.7 | -63.7 | 172.5 | 0 | 0 | 0 | 108.9 | D159 L166 V185 D187 | D159-I161 PolarHBondContact O-N 3.26Å; I161-L166 HydrophobicContact CG2-CD1 3.89Å; I161-L166 HydrophobicContact CG2-CD2 3.98Å; I161-L166 HydrophobicContact CG2-CG 3.97Å; I161-V185 HydrophobicContact CG1-CG1 4.07Å; I161-D187 HydrophobicContact CD1-CB 3.98Å; I161-D187 HydrophobicContact CG1-CB 4.03Å | ||
| 162 | T | 90.9 | Very high | 92.9 | Very high | 40 Ų | 40 | 27.2 Ų | 27.2 | 25% | 0.245 | 15% | 0.152 | C | C | . | . | trans | -129.1 | 160.4 | 173.5 | 68 | 0 | 0 | 0 | 0 | 108.8 | E160 D164 T165 L166 | E160-T162 HydrophobicContact CG-CG2 3.99Å; E160-T162 PolarHBondContact O-N 3.11Å; T162-D164 PolarHBondContact O-N 2.99Å; T162-T165 PolarHBondContact N-OG1 3.5Å; T162-T165 PolarHBondContact O-N 2.82Å; T162-T165 PolarHBondContact O-OG1 3.11Å; T162-T165 VanDerWaalsContact O-OG1 3.08Å; T162-T165 WeakPolarHBondContact OG1-CG2 3.45Å; T162-T165 PolarHBondContact OG1-N 3.4Å; T162-T165 VanDerWaalsContact OG1-N 3.15Å; T162-T165 PolarHBondContact OG1-OG1 2.77Å; T162-L166 WeakPolarHBondContact O-CB 3.32Å; T162-L166 VanDerWaalsContact O-CG 3.26Å; T162-L166 WeakPolarHBondContact O-CG 3.29Å; T162-L166 PolarHBondContact O-N 2.79Å | ||
| 163 | P | 88.2 | Confident | 93.4 | Very high | 98 Ų | 98 | 26 Ų | 26 | 64% | 0.636 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -53.5 | -38.9 | 175.7 | -27.2 | 36 | 0 | 0 | 0 | 113.3 | Q167 | P163-Q167 WeakPolarHBondContact O-CG 3.22Å; P163-Q167 PolarHBondContact O-N 2.57Å; P163-Q167 VanDerWaalsContact O-N 3.17Å |
| 164 | D | 85.9 | Confident | 93.5 | Very high | 90 Ų | 90 | 24.3 Ų | 24.3 | 48% | 0.481 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -71 | -43.6 | -178.8 | -61.3 | -21.3 | 0 | 0 | 0 | 111.8 | M92 T162 L166 Q167 I168 | M92-D164 HydrophobicContact CE-CB 4.3Å; M92-D164 HydrophobicContact SD-CB 4.11Å; T162-D164 PolarHBondContact O-N 2.99Å; D164-L166 VanDerWaalsContact C-N 3.34Å; D164-L166 PolarHBondContact O-N 3.43Å; D164-Q167 PolarHBondContact O-N 3.26Å; D164-I168 PolarHBondContact O-N 2.83Å |
| 165 | T | 89.5 | Confident | 93.4 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.7 | -37.8 | 177.1 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | E160 T162 Q167 I168 Y169 | E160-T165 PolarHBondContact O-OG1 3.38Å; T162-T165 PolarHBondContact N-OG1 3.5Å; T162-T165 PolarHBondContact O-N 2.82Å; T162-T165 PolarHBondContact O-OG1 3.11Å; T162-T165 VanDerWaalsContact O-OG1 3.08Å; T162-T165 WeakPolarHBondContact OG1-CG2 3.45Å; T162-T165 PolarHBondContact OG1-N 3.4Å; T162-T165 VanDerWaalsContact OG1-N 3.15Å; T162-T165 PolarHBondContact OG1-OG1 2.77Å; T165-Q167 VanDerWaalsContact C-N 3.34Å; T165-Q167 PolarHBondContact O-N 3.04Å; T165-I168 WeakPolarHBondContact O-CB 3.24Å; T165-I168 PolarHBondContact O-N 2.88Å; T165-Y169 WeakPolarHBondContact O-CD2 3.31Å; T165-Y169 PolarHBondContact O-N 3.41Å |
| 166 | L | 92.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 24.3 Ų | 24.3 | 14% | 0.141 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 175.1 | -74.4 | -179.5 | 0 | 0 | 0 | 112.5 | R133 I161 T162 D164 I168 Y169 D170 | R133-L166 HydrophobicContact CG-CD2 3.95Å; I161-L166 HydrophobicContact CG2-CD1 3.89Å; I161-L166 HydrophobicContact CG2-CD2 3.98Å; I161-L166 HydrophobicContact CG2-CG 3.97Å; T162-L166 WeakPolarHBondContact O-CB 3.32Å; T162-L166 VanDerWaalsContact O-CG 3.26Å; T162-L166 WeakPolarHBondContact O-CG 3.29Å; T162-L166 PolarHBondContact O-N 2.79Å; D164-L166 VanDerWaalsContact C-N 3.34Å; D164-L166 PolarHBondContact O-N 3.43Å; L166-I168 VanDerWaalsContact C-N 3.32Å; L166-I168 PolarHBondContact O-N 3.31Å; L166-Y169 PolarHBondContact O-N 3.38Å; L166-D170 WeakPolarHBondContact O-CB 3.43Å; L166-D170 PolarHBondContact O-N 2.8Å |
| 167 | Q | 91 | Very high | 93.1 | Very high | 61 Ų | 61 | 30 Ų | 30 | 29% | 0.285 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 175.6 | -73.5 | 176 | 10.3 | 0 | 0 | 112.2 | K106 P108 P163 D164 T165 D170 G171 | K106-Q167 WeakPolarHBondContact O-CG 3.31Å; K106-Q167 PolarHBondContact O-OE1 2.79Å; P108-Q167 WeakPolarHBondContact CD-O 3.29Å; P163-Q167 WeakPolarHBondContact O-CG 3.22Å; P163-Q167 PolarHBondContact O-N 2.57Å; P163-Q167 VanDerWaalsContact O-N 3.17Å; D164-Q167 PolarHBondContact O-N 3.26Å; T165-Q167 VanDerWaalsContact C-N 3.34Å; T165-Q167 PolarHBondContact O-N 3.04Å; Q167-D170 PolarHBondContact O-N 2.8Å; Q167-G171 PolarHBondContact O-N 3.3Å |
| 168 | I | 91.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -51.4 | 175 | -66.8 | 169.6 | 0 | 0 | 0 | 110.4 | M92 F110 D164 T165 L166 D170 G171 L172 M233 Y235 | M92-I168 HydrophobicContact CE-CD1 3.65Å; M92-I168 HydrophobicContact CE-CG1 3.68Å; M92-I168 HydrophobicContact CG-CD1 4.14Å; M92-I168 HydrophobicContact SD-CD1 3.65Å; M92-I168 HydrophobicContact SD-CG1 4.36Å; F110-I168 HydrophobicContact CE2-CG2 4.15Å; F110-I168 HydrophobicContact CZ-CG2 4.25Å; D164-I168 PolarHBondContact O-N 2.83Å; T165-I168 WeakPolarHBondContact O-CB 3.24Å; T165-I168 PolarHBondContact O-N 2.88Å; L166-I168 VanDerWaalsContact C-N 3.32Å; L166-I168 PolarHBondContact O-N 3.31Å; I168-D170 VanDerWaalsContact C-N 3.32Å; I168-D170 PolarHBondContact O-N 2.88Å; I168-G171 WeakPolarHBondContact O-CA 3.37Å; I168-G171 PolarHBondContact O-N 3.31Å; I168-G171 VanDerWaalsContact O-N 3.1Å; I168-L172 HydrophobicContact CG2-CD1 4.32Å; I168-L172 PolarHBondContact O-N 2.99Å; I168-M233 HydrophobicContact CD1-SD 4.39Å; I168-Y235 HydrophobicContact CG2-CE1 3.55Å |
| 169 | Y | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.2 | -31.8 | -177.7 | -65 | -53.8 | 0 | 0 | 0 | 113 | I157 D159 T165 L166 G171 L172 S173 V185 | I157-Y169 HydrophobicContact CB-CE1 4.27Å; I157-Y169 HydrophobicContact CD1-CD1 3.58Å; I157-Y169 HydrophobicContact CD1-CE1 3.41Å; I157-Y169 VanDerWaalsContact CD1-CE1 3.41Å; I157-Y169 HydrophobicContact CG1-CE1 4.41Å; I157-Y169 HydrophobicContact CG2-CE1 3.79Å; I157-Y169 WeakPolarHBondContact CG2-OH 3.49Å; D159-Y169 HydrophobicContact CB-CE2 4.14Å; D159-Y169 WeakPolarHBondContact CB-OH 3.22Å; D159-Y169 VanDerWaalsContact CG-OH 3.3Å; D159-Y169 PolarHBondContact OD2-OH 2.98Å; T165-Y169 WeakPolarHBondContact O-CD2 3.31Å; T165-Y169 PolarHBondContact O-N 3.41Å; L166-Y169 PolarHBondContact O-N 3.38Å; Y169-G171 VanDerWaalsContact C-N 3.32Å; Y169-L172 HydrophobicContact CD1-CD1 3.96Å; Y169-L172 HydrophobicContact CE1-CD1 4.38Å; Y169-L172 PolarHBondContact O-N 3.26Å; Y169-S173 WeakPolarHBondContact O-CB 3.32Å; Y169-S173 PolarHBondContact O-N 2.89Å; Y169-S173 PolarHBondContact O-OG 3.13Å; Y169-V185 HydrophobicContact CD1-CG2 4.22Å; Y169-V185 HydrophobicContact CD2-CB 4.22Å; Y169-V185 HydrophobicContact CD2-CG1 3.72Å; Y169-V185 HydrophobicContact CD2-CG2 3.42Å; Y169-V185 VanDerWaalsContact CD2-CG2 3.42Å; Y169-V185 HydrophobicContact CE2-CG1 3.79Å; Y169-V185 HydrophobicContact CE2-CG2 4.19Å; Y169-V185 HydrophobicContact CG-CG2 3.45Å; Y169-V185 VanDerWaalsContact CG-CG2 3.45Å |
| 170 | D | 95 | Very high | 92.5 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 170.7 | -68.1 | -14.6 | 0 | 0 | 0 | 110.9 | I107 Q130 S131 R133 L166 Q167 I168 S173 L174 | I107-D170 HydrophobicContact CD1-CB 3.73Å; I107-D170 HydrophobicContact CG1-CB 4.21Å; I107-D170 HydrophobicContact CG2-CB 4.42Å; Q130-D170 HydrophobicContact CB-CB 4.48Å; Q130-D170 WeakPolarHBondContact CB-OD1 3.44Å; S131-D170 WeakPolarHBondContact CB-OD1 3.48Å; S131-D170 PolarHBondContact N-OD1 3.13Å; S131-D170 PolarHBondContact OG-OD1 2.9Å; R133-D170 IonicContact CZ-OD1 2.63Å; R133-D170 IonicContact CZ-OD2 3.42Å; R133-D170 IonicContact NH1-OD1 2.91Å; R133-D170 PolarHBondContact NH1-OD1 3.35Å; R133-D170 IonicContact NH1-OD2 2.74Å; R133-D170 PolarHBondContact NH1-OD2 2.84Å; R133-D170 IonicContact NH2-OD1 3.56Å; R133-D170 PolarHBondContact NH2-OD1 3.09Å; R133-D170 IonicContact NH2-OD2 3.4Å; R133-D170 PolarHBondContact NH2-OD2 2.59Å; L166-D170 WeakPolarHBondContact O-CB 3.43Å; L166-D170 PolarHBondContact O-N 2.8Å; Q167-D170 PolarHBondContact O-N 2.8Å; I168-D170 VanDerWaalsContact C-N 3.32Å; I168-D170 PolarHBondContact O-N 2.88Å; D170-S173 VanDerWaalsContact O-CB 3.27Å; D170-S173 WeakPolarHBondContact O-CB 3.38Å; D170-S173 PolarHBondContact O-N 2.78Å; D170-S173 VanDerWaalsContact O-N 3.15Å; D170-L174 PolarHBondContact O-N 3.33Å |
| 171 | G | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I107 P108 Q167 I168 Y169 S173 L174 | I107-G171 VanDerWaalsContact CG2-N 3.32Å; P108-G171 WeakPolarHBondContact O-CA 3.32Å; Q167-G171 PolarHBondContact O-N 3.3Å; I168-G171 WeakPolarHBondContact O-CA 3.37Å; I168-G171 PolarHBondContact O-N 3.31Å; I168-G171 VanDerWaalsContact O-N 3.1Å; Y169-G171 VanDerWaalsContact C-N 3.32Å; G171-S173 PolarHBondContact O-N 2.62Å; G171-L174 PolarHBondContact O-N 3.15Å |
| 172 | L | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -36.9 | 172.6 | -69.1 | 172 | 0 | 0 | 0 | 111.1 | F110 I168 Y169 L174 T175 L176 I183 Y235 I238 F239 | F110-L172 HydrophobicContact CB-CD2 4.01Å; F110-L172 HydrophobicContact CD2-CD2 3.63Å; F110-L172 HydrophobicContact CD2-CG 3.8Å; F110-L172 HydrophobicContact CE2-CD2 4.29Å; F110-L172 HydrophobicContact CE2-CG 4.11Å; F110-L172 HydrophobicContact CG-CD2 3.97Å; I168-L172 HydrophobicContact CG2-CD1 4.32Å; I168-L172 PolarHBondContact O-N 2.99Å; Y169-L172 HydrophobicContact CD1-CD1 3.96Å; Y169-L172 HydrophobicContact CE1-CD1 4.38Å; Y169-L172 PolarHBondContact O-N 3.26Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 2.98Å; L172-T175 PolarHBondContact O-N 3.08Å; L172-T175 VanDerWaalsContact O-N 3.13Å; L172-L176 PolarHBondContact O-N 3.43Å; L172-I183 VanDerWaalsContact C-CD1 3.45Å; L172-I183 HydrophobicContact CB-CD1 3.48Å; L172-I183 VanDerWaalsContact CB-CD1 3.48Å; L172-Y235 HydrophobicContact CD1-CD1 4.17Å; L172-Y235 HydrophobicContact CD1-CE1 4.5Å; L172-Y235 HydrophobicContact CD2-CD1 4.02Å; L172-Y235 HydrophobicContact CD2-CG 4.43Å; L172-Y235 HydrophobicContact CG-CD1 4.48Å; L172-I238 HydrophobicContact CD1-CD1 4.27Å; L172-F239 HydrophobicContact CD2-CE1 4.23Å; L172-F239 HydrophobicContact CD2-CE2 3.7Å; L172-F239 HydrophobicContact CD2-CZ 3.49Å; L172-F239 VanDerWaalsContact CD2-CZ 3.49Å |
| 173 | S | 96.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -37.8 | -179.6 | -60.3 | 0 | 0 | 0 | 0 | 112 | S131 Y169 D170 G171 T175 L176 R177 I183 | S131-S173 WeakPolarHBondContact CA-OG 3.49Å; S131-S173 WeakPolarHBondContact CB-OG 3.2Å; S131-S173 PolarHBondContact N-OG 3.21Å; Y169-S173 WeakPolarHBondContact O-CB 3.32Å; Y169-S173 PolarHBondContact O-N 2.89Å; Y169-S173 PolarHBondContact O-OG 3.13Å; D170-S173 VanDerWaalsContact O-CB 3.27Å; D170-S173 WeakPolarHBondContact O-CB 3.38Å; D170-S173 PolarHBondContact O-N 2.78Å; D170-S173 VanDerWaalsContact O-N 3.15Å; G171-S173 PolarHBondContact O-N 2.62Å; S173-T175 PolarHBondContact O-N 2.94Å; S173-L176 PolarHBondContact O-N 3.38Å; S173-R177 WeakPolarHBondContact O-CB 3.31Å; S173-R177 PolarHBondContact O-N 3.4Å; S173-I183 VanDerWaalsContact N-CD1 3.32Å; S173-I183 WeakPolarHBondContact OG-CB 3.33Å; S173-I183 WeakPolarHBondContact OG-CD1 3.49Å |
| 174 | L | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.9 | -37 | 176.6 | -57.7 | -177.9 | 0 | 0 | 0 | 112.3 | F100 I107 A121 Q124 F125 V129 D170 G171 L172 | F100-L174 HydrophobicContact CD2-CD1 3.5Å; F100-L174 HydrophobicContact CE2-CD1 3.61Å; F100-L174 HydrophobicContact CG-CD1 4.49Å; I107-L174 HydrophobicContact CG2-CD1 3.8Å; I107-L174 HydrophobicContact CG2-CG 4.42Å; A121-L174 HydrophobicContact CB-CB 4.22Å; Q124-L174 HydrophobicContact CB-CD2 3.86Å; F125-L174 HydrophobicContact CB-CD1 4.02Å; F125-L174 HydrophobicContact CB-CD2 3.94Å; F125-L174 HydrophobicContact CD2-CD1 4.3Å; V129-L174 HydrophobicContact CB-CD2 4.09Å; V129-L174 HydrophobicContact CG1-CD2 4.21Å; D170-L174 PolarHBondContact O-N 3.33Å; G171-L174 PolarHBondContact O-N 3.15Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 2.98Å |
| 175 | T | 93 | Very high | 94 | Very high | 22 Ų | 22 | 26.4 Ų | 26.4 | 14% | 0.135 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -84.2 | -42.7 | -177.7 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | G111 L172 S173 F239 | G111-T175 WeakPolarHBondContact CA-OG1 3.44Å; G111-T175 PolarHBondContact N-OG1 3.27Å; L172-T175 PolarHBondContact O-N 3.08Å; L172-T175 VanDerWaalsContact O-N 3.13Å; S173-T175 PolarHBondContact O-N 2.94Å; T175-F239 HydrophobicContact CG2-CD1 4.36Å; T175-F239 HydrophobicContact CG2-CE1 3.48Å; T175-F239 VanDerWaalsContact CG2-CE1 3.48Å; T175-F239 HydrophobicContact CG2-CZ 3.75Å |
| 176 | L | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75.2 | -32.6 | -177.7 | -79.9 | -174.5 | 0 | 0 | 0 | 113.4 | L155 L172 S173 A178 K179 H180 V181 I183 F239 A242 L243 | L155-L176 HydrophobicContact CD2-CD1 3.64Å; L172-L176 PolarHBondContact O-N 3.43Å; S173-L176 PolarHBondContact O-N 3.38Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 3.3Å; L176-K179 CarbonylContact O-C 3.2Å; L176-K179 WeakPolarHBondContact O-CA 3.01Å; L176-K179 PolarHBondContact O-N 2.97Å; L176-H180 PolarHBondContact O-N 3.21Å; L176-V181 CarbonylContact C-O 3.57Å; L176-V181 HydrophobicContact CB-CB 4.11Å; L176-V181 HydrophobicContact CB-CG1 4.49Å; L176-V181 HydrophobicContact CD1-CG1 4.29Å; L176-V181 HydrophobicContact CD2-CB 4.38Å; L176-V181 PolarHBondContact O-N 2.85Å; L176-I183 HydrophobicContact CB-CD1 4.3Å; L176-I183 HydrophobicContact CB-CG1 4.33Å; L176-I183 HydrophobicContact CD1-CD1 3.69Å; L176-I183 HydrophobicContact CD1-CG1 3.9Å; L176-I183 HydrophobicContact CG-CD1 4.4Å; L176-F239 HydrophobicContact CD2-CD1 3.71Å; L176-F239 HydrophobicContact CD2-CE1 4.03Å; L176-F239 HydrophobicContact CG-CD1 3.97Å; L176-F239 HydrophobicContact CG-CE1 3.83Å; L176-A242 HydrophobicContact CD1-CB 3.84Å; L176-A242 HydrophobicContact CD2-CB 3.77Å; L176-L243 HydrophobicContact CD2-CD1 4.07Å; L176-L243 HydrophobicContact CD2-CD2 3.74Å; L176-L243 HydrophobicContact CD2-CG 3.86Å |
| 177 | R | 93.9 | Very high | 94.5 | Very high | 118 Ų | 118 | 25.5 Ų | 25.5 | 45% | 0.445 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -61.4 | -38 | 177.6 | -173.6 | 66.9 | 166.4 | 164.9 | -0.6 | 112 | V129 S173 K179 H180 V181 N182 | V129-R177 HydrophobicContact CG1-CB 4.11Å; V129-R177 HydrophobicContact CG1-CG 4.13Å; V129-R177 HydrophobicContact CG2-CG 4.39Å; S173-R177 WeakPolarHBondContact O-CB 3.31Å; S173-R177 PolarHBondContact O-N 3.4Å; R177-K179 PolarHBondContact O-N 3.1Å; R177-K179 VanDerWaalsContact O-N 3.13Å; R177-H180 PolarHBondContact O-N 3.43Å; R177-V181 WeakPolarHBondContact CA-O 3.23Å; R177-V181 PolarHBondContact N-O 3.03Å; R177-N182 PolarHBondContact NH1-OD1 2.84Å |
| 178 | A | 91 | Very high | 94.6 | Very high | 41 Ų | 41 | 23 Ų | 23 | 34% | 0.339 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N120 L176 | N120-A178 WeakPolarHBondContact ND2-CB 3.31Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 3.3Å |
| 179 | K | 92.1 | Very high | 94.7 | Very high | 104 Ų | 104 | 28.9 Ų | 28.9 | 45% | 0.452 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 20.4 | 176.5 | -61.4 | -172.1 | 176.5 | -170.3 | 0 | 112.5 | L176 R177 V181 L243 | L176-K179 CarbonylContact O-C 3.2Å; L176-K179 WeakPolarHBondContact O-CA 3.01Å; L176-K179 PolarHBondContact O-N 2.97Å; R177-K179 PolarHBondContact O-N 3.1Å; R177-K179 VanDerWaalsContact O-N 3.13Å; K179-V181 VanDerWaalsContact C-N 3.27Å; K179-V181 PolarHBondContact O-N 3.43Å; K179-L243 HydrophobicContact CB-CD2 3.68Å; K179-L243 HydrophobicContact CD-CD1 3.43Å; K179-L243 VanDerWaalsContact CD-CD1 3.43Å; K179-L243 HydrophobicContact CD-CD2 3.51Å; K179-L243 HydrophobicContact CD-CG 4.1Å; K179-L243 HydrophobicContact CG-CD2 4.25Å |
| 180 | H | 92.6 | Very high | 94.6 | Very high | 148 Ų | 148 | 35.5 Ų | 35.5 | 69% | 0.685 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 32.7 | 178.5 | -51.5 | -67.3 | 0 | 0 | 0 | 114.4 | N153 L176 R177 | N153-H180 PolarHBondContact N-O 3.44Å; L176-H180 PolarHBondContact O-N 3.21Å; R177-H180 PolarHBondContact O-N 3.43Å |
| 181 | V | 95.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.2 | 171.1 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | N153 L155 L176 R177 K179 L217 A242 L243 | N153-V181 HydrophobicContact CB-CG2 4.23Å; N153-V181 CarbonylContact O-C 3.54Å; N153-V181 WeakPolarHBondContact O-CA 3.17Å; L155-V181 HydrophobicContact CB-CG1 3.87Å; L176-V181 CarbonylContact C-O 3.57Å; L176-V181 HydrophobicContact CB-CB 4.11Å; L176-V181 HydrophobicContact CB-CG1 4.49Å; L176-V181 HydrophobicContact CD1-CG1 4.29Å; L176-V181 HydrophobicContact CD2-CB 4.38Å; L176-V181 PolarHBondContact O-N 2.85Å; R177-V181 WeakPolarHBondContact CA-O 3.23Å; R177-V181 PolarHBondContact N-O 3.03Å; K179-V181 VanDerWaalsContact C-N 3.27Å; K179-V181 PolarHBondContact O-N 3.43Å; V181-L217 HydrophobicContact CG1-CD1 4.36Å; V181-A242 HydrophobicContact CG1-CB 4.36Å; V181-L243 HydrophobicContact CG2-CD2 4.08Å |
| 182 | N | 95.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 8% | 0.08 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 142.9 | 173.5 | -57.7 | -30.9 | 0 | 0 | 0 | 109 | T151 N153 W154 L155 R177 | T151-N182 PolarHBondContact O-ND2 2.98Å; N153-N182 PolarHBondContact O-N 3.38Å; W154-N182 CarbonylContact C-O 3.58Å; W154-N182 WeakPolarHBondContact CA-O 3.34Å; W154-N182 HydrophobicContact CD2-CB 3.6Å; W154-N182 HydrophobicContact CE3-CB 3.56Å; W154-N182 HydrophobicContact CG-CB 4.21Å; W154-N182 HydrophobicContact CH2-CB 4.06Å; W154-N182 HydrophobicContact CZ2-CB 4.08Å; W154-N182 HydrophobicContact CZ3-CB 3.79Å; L155-N182 PolarHBondContact N-O 3.11Å; R177-N182 PolarHBondContact NH1-OD1 2.84Å |
| 183 | I | 96.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.9 | 173 | -53.5 | -174.2 | 0 | 0 | 0 | 108.3 | S131 A132 L155 I157 L172 S173 L176 V185 | S131-I183 CarbonylContact C-O 3.54Å; S131-I183 WeakPolarHBondContact CA-O 3.39Å; A132-I183 PolarHBondContact N-O 3.3Å; L155-I183 HydrophobicContact CD2-CG1 4.44Å; L155-I183 CarbonylContact O-C 3.44Å; L155-I183 VanDerWaalsContact O-CA 3.3Å; L155-I183 WeakPolarHBondContact O-CA 3.36Å; I157-I183 HydrophobicContact CD1-CG2 4.15Å; L172-I183 VanDerWaalsContact C-CD1 3.45Å; L172-I183 HydrophobicContact CB-CD1 3.48Å; L172-I183 VanDerWaalsContact CB-CD1 3.48Å; S173-I183 VanDerWaalsContact N-CD1 3.32Å; S173-I183 WeakPolarHBondContact OG-CB 3.33Å; S173-I183 WeakPolarHBondContact OG-CD1 3.49Å; L176-I183 HydrophobicContact CB-CD1 4.3Å; L176-I183 HydrophobicContact CB-CG1 4.33Å; L176-I183 HydrophobicContact CD1-CD1 3.69Å; L176-I183 HydrophobicContact CD1-CG1 3.9Å; L176-I183 HydrophobicContact CG-CD1 4.4Å; I183-V185 HydrophobicContact CG2-CG2 4.32Å |
| 184 | G | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 139.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A132 L155 V156 I157 | A132-G184 CarbonylContact O-C 3.26Å; A132-G184 WeakPolarHBondContact O-CA 3.45Å; L155-G184 PolarHBondContact O-N 3.2Å; V156-G184 CarbonylContact C-O 3.53Å; V156-G184 VanDerWaalsContact CA-O 3.31Å; V156-G184 WeakPolarHBondContact CA-O 3.46Å; I157-G184 PolarHBondContact N-O 2.84Å |
| 185 | V | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.7 | 176.8 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | A132 L134 I157 I161 Y169 I183 | A132-V185 PolarHBondContact O-N 3.33Å; L134-V185 PolarHBondContact N-O 3.34Å; I157-V185 WeakPolarHBondContact O-CA 3.46Å; I161-V185 HydrophobicContact CG1-CG1 4.07Å; Y169-V185 HydrophobicContact CD1-CG2 4.22Å; Y169-V185 HydrophobicContact CD2-CB 4.22Å; Y169-V185 HydrophobicContact CD2-CG1 3.72Å; Y169-V185 HydrophobicContact CD2-CG2 3.42Å; Y169-V185 VanDerWaalsContact CD2-CG2 3.42Å; Y169-V185 HydrophobicContact CE2-CG1 3.79Å; Y169-V185 HydrophobicContact CE2-CG2 4.19Å; Y169-V185 HydrophobicContact CG-CG2 3.45Å; Y169-V185 VanDerWaalsContact CG-CG2 3.45Å; I183-V185 HydrophobicContact CG2-CG2 4.32Å |
| 186 | L | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 131.3 | -177.3 | -178.6 | 144.4 | 0 | 0 | 0 | 110 | L134 F139 I157 F158 D159 P188 T194 | L134-L186 HydrophobicContact CB-CB 4.17Å; L134-L186 HydrophobicContact CB-CD1 4.12Å; F139-L186 HydrophobicContact CD2-CD1 4.12Å; I157-L186 PolarHBondContact O-N 2.82Å; F158-L186 VanDerWaalsContact CA-O 3.29Å; F158-L186 WeakPolarHBondContact CA-O 3.07Å; F158-L186 HydrophobicContact CD1-CD2 3.58Å; F158-L186 HydrophobicContact CE1-CD2 3.72Å; D159-L186 PolarHBondContact N-O 3.36Å; D159-L186 VanDerWaalsContact N-O 3.14Å; D159-L186 CarbonylContact O-C 3.54Å; L186-P188 WeakPolarHBondContact O-CD 3.5Å; L186-T194 HydrophobicContact CD1-CG2 3.73Å |
| 187 | D | 95.5 | Very high | 93.8 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | trans | -81.4 | 114.7 | 174.1 | -176.5 | -17.3 | 0 | 0 | 0 | 110.1 | D159 I161 K189 Q190 S191 | D159-D187 VanDerWaalsContact O-CA 3.31Å; D159-D187 WeakPolarHBondContact O-CA 3.3Å; I161-D187 HydrophobicContact CD1-CB 3.98Å; I161-D187 HydrophobicContact CG1-CB 4.03Å; D187-K189 PolarHBondContact O-N 3.35Å; D187-K189 VanDerWaalsContact OD1-CB 3.31Å; D187-K189 WeakPolarHBondContact OD1-CB 3.34Å; D187-K189 PolarHBondContact OD1-N 3.39Å; D187-Q190 HydrophobicContact CB-CB 4.14Å; D187-Q190 HydrophobicContact CB-CG 4.21Å; D187-Q190 PolarHBondContact O-N 3.15Å; D187-Q190 WeakPolarHBondContact OD2-CG 3.34Å; D187-Q190 PolarHBondContact OD2-NE2 3.32Å; D187-S191 WeakPolarHBondContact O-CB 2.89Å; D187-S191 PolarHBondContact O-N 3.43Å | ||
| 188 | P | 94.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -19.3 | -178.6 | 29.1 | -35.7 | 0 | 0 | 0 | 113.7 | F158 L186 A195 I202 | F158-P188 HydrophobicContact CB-CG 4.47Å; L186-P188 WeakPolarHBondContact O-CD 3.5Å; P188-A195 HydrophobicContact CB-CB 3.91Å; P188-I202 HydrophobicContact CB-CG1 4.33Å |
| 189 | K | 92.6 | Very high | 93.8 | Very high | 125 Ų | 125 | 49.8 Ų | 49.8 | 54% | 0.543 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -35.1 | 175.8 | -61.5 | 175.8 | -177.6 | 168.9 | 0 | 111.6 | D187 T192 I202 | D187-K189 PolarHBondContact O-N 3.35Å; D187-K189 VanDerWaalsContact OD1-CB 3.31Å; D187-K189 WeakPolarHBondContact OD1-CB 3.34Å; D187-K189 PolarHBondContact OD1-N 3.39Å; K189-T192 VanDerWaalsContact O-CG2 3.31Å; K189-T192 WeakPolarHBondContact O-CG2 3.4Å; K189-I202 HydrophobicContact CG-CD1 4.33Å; K189-I202 HydrophobicContact CG-CG2 4.05Å |
| 190 | Q | 93.3 | Very high | 93.8 | Very high | 138 Ų | 138 | 45.4 Ų | 45.4 | 65% | 0.645 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -43.9 | 178.5 | -64 | -178.5 | 53.5 | 0 | 0 | 111.4 | D187 T192 | D187-Q190 HydrophobicContact CB-CB 4.14Å; D187-Q190 HydrophobicContact CB-CG 4.21Å; D187-Q190 PolarHBondContact O-N 3.15Å; D187-Q190 WeakPolarHBondContact OD2-CG 3.34Å; D187-Q190 PolarHBondContact OD2-NE2 3.32Å; Q190-T192 PolarHBondContact O-N 2.93Å |
| 191 | S | 94.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | trans | -101.6 | 62.7 | -176.1 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | D135 D136 D187 R193 T194 A195 | D135-S191 WeakPolarHBondContact CA-OG 3.03Å; D135-S191 WeakPolarHBondContact CB-OG 3.32Å; D136-S191 PolarHBondContact N-OG 2.72Å; D136-S191 WeakPolarHBondContact OD1-CB 3.39Å; D136-S191 VanDerWaalsContact OD2-C 3.31Å; D136-S191 WeakPolarHBondContact OD2-CA 3.24Å; D187-S191 WeakPolarHBondContact O-CB 2.89Å; D187-S191 PolarHBondContact O-N 3.43Å; S191-R193 VanDerWaalsContact C-N 3.31Å; S191-R193 PolarHBondContact O-N 3.22Å; S191-T194 PolarHBondContact O-N 2.76Å; S191-A195 WeakPolarHBondContact O-CB 3.39Å; S191-A195 PolarHBondContact O-N 3.21Å | ||
| 192 | T | 91.5 | Very high | 92.1 | Very high | 63 Ų | 63 | 46.4 Ų | 46.4 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.4 | -29.3 | -171.5 | 65.4 | 0 | 0 | 0 | 0 | 113 | D136 K189 Q190 K196 | D136-T192 PolarHBondContact OD2-N 3.31Å; K189-T192 VanDerWaalsContact O-CG2 3.31Å; K189-T192 WeakPolarHBondContact O-CG2 3.4Å; Q190-T192 PolarHBondContact O-N 2.93Å; T192-K196 VanDerWaalsContact O-CB 3.29Å; T192-K196 WeakPolarHBondContact O-CB 3.28Å; T192-K196 WeakPolarHBondContact O-CG 3.48Å; T192-K196 PolarHBondContact O-N 2.67Å |
| 193 | R | 90.7 | Very high | 90.9 | Very high | 108 Ų | 108 | 47.8 Ų | 47.8 | 41% | 0.408 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.7 | -44.5 | -179.2 | -177.6 | 176.1 | 63.5 | 178.1 | -0.1 | 110.5 | D136 S191 R197 | D136-R193 PolarHBondContact O-NH2 2.93Å; D136-R193 WeakPolarHBondContact OD2-CB 3.26Å; D136-R193 PolarHBondContact OD2-N 2.74Å; D136-R193 VanDerWaalsContact OD2-N 3.09Å; S191-R193 VanDerWaalsContact C-N 3.31Å; S191-R193 PolarHBondContact O-N 3.22Å; R193-R197 WeakPolarHBondContact O-CB 3.47Å; R193-R197 PolarHBondContact O-N 3.28Å |
| 194 | T | 93.2 | Very high | 89.2 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | D136 F139 L186 S191 K196 R197 F198 | D136-T194 WeakPolarHBondContact OD1-CB 2.98Å; D136-T194 PolarHBondContact OD1-N 2.68Å; D136-T194 PolarHBondContact OD1-OG1 2.82Å; F139-T194 HydrophobicContact CB-CG2 4.42Å; F139-T194 HydrophobicContact CD1-CG2 4.24Å; F139-T194 HydrophobicContact CD2-CG2 3.75Å; F139-T194 HydrophobicContact CE2-CG2 4.03Å; F139-T194 HydrophobicContact CG-CG2 3.87Å; F139-T194 HydrophobicContact CZ-CG2 4.42Å; L186-T194 HydrophobicContact CD1-CG2 3.73Å; S191-T194 PolarHBondContact O-N 2.76Å; T194-K196 PolarHBondContact O-N 2.66Å; T194-R197 WeakPolarHBondContact O-CB 3.44Å; T194-R197 PolarHBondContact O-N 3.22Å; T194-F198 HydrophobicContact CG2-CD2 3.82Å; T194-F198 HydrophobicContact CG2-CE2 3.76Å; T194-F198 VanDerWaalsContact O-CD2 3.23Å; T194-F198 WeakPolarHBondContact O-CD2 3.36Å; T194-F198 PolarHBondContact O-N 3.35Å; T194-F198 VanDerWaalsContact O-N 3.15Å |
| 195 | A | 93.9 | Very high | 87.6 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P188 S191 R197 F198 N199 I200 | P188-A195 HydrophobicContact CB-CB 3.91Å; S191-A195 WeakPolarHBondContact O-CB 3.39Å; S191-A195 PolarHBondContact O-N 3.21Å; A195-R197 PolarHBondContact O-N 3.31Å; A195-F198 CarbonylContact O-C 3.49Å; A195-F198 PolarHBondContact O-N 3.4Å; A195-N199 PolarHBondContact O-N 3.22Å; A195-N199 VanDerWaalsContact O-N 3.12Å; A195-I200 HydrophobicContact CB-CB 4.36Å; A195-I200 PolarHBondContact O-N 3.41Å |
| 196 | K | 91.2 | Very high | 85.8 | Confident | 136 Ų | 136 | 62.5 Ų | 62.5 | 59% | 0.591 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.4 | -41.1 | 175.5 | -75.9 | 174.3 | -178 | 177.9 | 0 | 112.6 | T192 T194 F198 N199 | T192-K196 VanDerWaalsContact O-CB 3.29Å; T192-K196 WeakPolarHBondContact O-CB 3.28Å; T192-K196 WeakPolarHBondContact O-CG 3.48Å; T192-K196 PolarHBondContact O-N 2.67Å; T194-K196 PolarHBondContact O-N 2.66Å; K196-F198 PolarHBondContact O-N 2.82Å; K196-N199 PolarHBondContact O-N 2.92Å; K196-N199 VanDerWaalsContact O-N 3.09Å |
| 197 | R | 91.8 | Very high | 84.3 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55.6 | -40.2 | 176.6 | 172.9 | -174.6 | 175.2 | -175.5 | -0.2 | 111.6 | E140 R193 T194 A195 P255 R256 | E140-R197 IonicContact OE2-CZ 3.39Å; E140-R197 IonicContact OE2-NH1 2.79Å; E140-R197 PolarHBondContact OE2-NH1 3.32Å; E140-R197 IonicContact OE2-NH2 3.01Å; E140-R197 PolarHBondContact OE2-NH2 3.04Å; R193-R197 WeakPolarHBondContact O-CB 3.47Å; R193-R197 PolarHBondContact O-N 3.28Å; T194-R197 WeakPolarHBondContact O-CB 3.44Å; T194-R197 PolarHBondContact O-N 3.22Å; A195-R197 PolarHBondContact O-N 3.31Å; R197-P255 HydrophobicContact CG-CB 3.94Å; R197-P255 PolarHBondContact NE-O 3.12Å; R197-P255 PolarHBondContact NH2-O 3.04Å; R197-P255 WeakPolarHBondContact O-CG 3.4Å; R197-R256 PolarHBondContact NE-O 2.68Å |
| 198 | F | 93.4 | Very high | 83 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 1% | 0.013 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 9.6 | -179.9 | -67.5 | -68.1 | 0 | 0 | 0 | 114 | F139 F158 T194 A195 K196 I200 I216 L218 M223 I254 P255 | F139-F198 HydrophobicContact CD1-CE2 4.42Å; F139-F198 AromaticContact CE1-CE2 3.55Å; F139-F198 HydrophobicContact CE1-CE2 3.55Å; F139-F198 AromaticContact CE1-CZ 3.64Å; F139-F198 HydrophobicContact CE1-CZ 3.64Å; F139-F198 HydrophobicContact CE2-CE2 4.05Å; F139-F198 HydrophobicContact CZ-CD2 4.44Å; F139-F198 AromaticContact CZ-CE2 3.32Å; F139-F198 HydrophobicContact CZ-CE2 3.32Å; F139-F198 AromaticContact CZ-CZ 3.51Å; F139-F198 HydrophobicContact CZ-CZ 3.51Å; F158-F198 HydrophobicContact CZ-CB 4.2Å; F158-F198 HydrophobicContact CZ-CD2 4.04Å; F158-F198 HydrophobicContact CZ-CG 4.34Å; T194-F198 HydrophobicContact CG2-CD2 3.82Å; T194-F198 HydrophobicContact CG2-CE2 3.76Å; T194-F198 VanDerWaalsContact O-CD2 3.23Å; T194-F198 WeakPolarHBondContact O-CD2 3.36Å; T194-F198 PolarHBondContact O-N 3.35Å; T194-F198 VanDerWaalsContact O-N 3.15Å; A195-F198 CarbonylContact O-C 3.49Å; A195-F198 PolarHBondContact O-N 3.4Å; K196-F198 PolarHBondContact O-N 2.82Å; F198-I200 HydrophobicContact CB-CD1 4.34Å; F198-I200 HydrophobicContact CB-CG1 3.83Å; F198-I200 PolarHBondContact O-N 3.26Å; F198-I216 HydrophobicContact CD1-CD1 3.78Å; F198-I216 HydrophobicContact CD2-CD1 4.15Å; F198-I216 HydrophobicContact CE1-CD1 3.88Å; F198-I216 HydrophobicContact CE2-CD1 4.28Å; F198-I216 HydrophobicContact CG-CD1 3.91Å; F198-I216 HydrophobicContact CZ-CD1 4.15Å; F198-L218 HydrophobicContact CE1-CD2 4.48Å; F198-M223 HydrophobicContact CD1-SD 3.37Å; F198-M223 WeakPolarHBondContact CD1-SD 3.34Å; F198-M223 HydrophobicContact CE1-SD 3.74Å; F198-I254 HydrophobicContact CE1-CG2 4.36Å; F198-P255 HydrophobicContact CD1-CG 4.23Å; F198-P255 HydrophobicContact CE1-CG 4.44Å |
| 199 | N | 91.8 | Very high | 82 | Confident | 137 Ų | 137 | 81.5 Ų | 81.5 | 73% | 0.733 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 39.5 | -177.1 | -164.5 | 43.2 | 0 | 0 | 0 | 113.1 | A195 K196 | A195-N199 PolarHBondContact O-N 3.22Å; A195-N199 VanDerWaalsContact O-N 3.12Å; K196-N199 PolarHBondContact O-N 2.92Å; K196-N199 VanDerWaalsContact O-N 3.09Å |
| 200 | I | 91.5 | Very high | 81.6 | Confident | 13 Ų | 13 | 77.6 Ų | 77.6 | 7% | 0.067 | 42% | 0.423 | C | S | . | . | trans | -85.9 | 114.3 | 176.6 | -56.4 | -57.7 | 0 | 0 | 0 | 108.6 | F158 A195 F198 I216 | F158-I200 HydrophobicContact CB-CG2 3.95Å; F158-I200 HydrophobicContact CD1-CB 4.25Å; F158-I200 HydrophobicContact CD1-CG1 3.95Å; F158-I200 HydrophobicContact CD1-CG2 4.04Å; F158-I200 HydrophobicContact CD2-CD1 4.08Å; F158-I200 HydrophobicContact CD2-CG1 3.91Å; F158-I200 HydrophobicContact CD2-CG2 4.38Å; F158-I200 HydrophobicContact CE1-CB 4.42Å; F158-I200 HydrophobicContact CE1-CG1 3.78Å; F158-I200 HydrophobicContact CE2-CD1 3.96Å; F158-I200 HydrophobicContact CE2-CG1 3.73Å; F158-I200 HydrophobicContact CG-CB 4.42Å; F158-I200 HydrophobicContact CG-CG1 4.02Å; F158-I200 HydrophobicContact CG-CG2 3.88Å; F158-I200 HydrophobicContact CZ-CD1 4.37Å; F158-I200 HydrophobicContact CZ-CG1 3.68Å; A195-I200 HydrophobicContact CB-CB 4.36Å; A195-I200 PolarHBondContact O-N 3.41Å; F198-I200 HydrophobicContact CB-CD1 4.34Å; F198-I200 HydrophobicContact CB-CG1 3.83Å; F198-I200 PolarHBondContact O-N 3.26Å; I200-I216 HydrophobicContact CD1-CG2 4.31Å | ||
| 201 | S | 81.7 | Confident | 81.4 | Confident | 93 Ų | 93 | 71.7 Ų | 71.7 | 65% | 0.65 | 40% | 0.396 | S | S | * | . | trans | -78.8 | 133.2 | 171.5 | 49.2 | 0 | 0 | 0 | 0 | 110.4 | P203 | S201-P203 VanDerWaalsContact O-CD 3.25Å; S201-P203 WeakPolarHBondContact O-CD 3.41Å | ||
| 202 | I | 71.8 | Confident | 81.3 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 40% | 0.4 | 41% | 0.405 | S | S | . | . | trans | -65.1 | 117.1 | 173.6 | -58.2 | 164 | 0 | 0 | 0 | 108 | P188 K189 S204 | P188-I202 HydrophobicContact CB-CG1 4.33Å; K189-I202 HydrophobicContact CG-CD1 4.33Å; K189-I202 HydrophobicContact CG-CG2 4.05Å; I202-S204 PolarHBondContact O-N 3.29Å; I202-S204 VanDerWaalsContact O-N 3.07Å | ||
| 203 | P | 70.1 | Confident | 81.4 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 29% | 0.286 | 39% | 0.389 | S | S | . | . | trans | -62.8 | 114.4 | 178.1 | -19.4 | 32.4 | 0 | 0 | 0 | 109.4 | S201 L212 | S201-P203 VanDerWaalsContact O-CD 3.25Å; S201-P203 WeakPolarHBondContact O-CD 3.41Å; P203-L212 HydrophobicContact CB-CB 4.03Å; P203-L212 HydrophobicContact CG-CB 4.41Å; P203-L212 WeakPolarHBondContact CG-O 3.41Å | ||
| 204 | S | 61.3 | Low | 81.6 | Confident | 115 Ų | 115 | 67 Ų | 67 | 80% | 0.804 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -84.3 | -24.2 | -179.3 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | I202 | I202-S204 PolarHBondContact O-N 3.29Å; I202-S204 VanDerWaalsContact O-N 3.07Å |
| 205 | D | 62.9 | Low | 81.8 | Confident | 145 Ų | 145 | 66.8 Ų | 66.8 | 78% | 0.775 | 38% | 0.377 | S | S | * | . | trans | -109.7 | 91.5 | 179.8 | -76.6 | -29.9 | 0 | 0 | 0 | 110 | ||||
| 206 | S | 59.2 | Low | 81.9 | Confident | 54 Ų | 54 | 66.6 Ų | 66.6 | 38% | 0.378 | 38% | 0.376 | S | S | . | . | trans | -117.1 | 120.8 | 174 | -97.6 | 0 | 0 | 0 | 0 | 110.6 | Q208 P211 L212 | S206-Q208 PolarHBondContact O-N 3.4Å; S206-P211 VanDerWaalsContact CB-CB 3.49Å; S206-P211 WeakPolarHBondContact OG-CA 3.27Å; S206-P211 WeakPolarHBondContact OG-CB 3.21Å; S206-L212 PolarHBondContact OG-N 2.78Å | ||
| 207 | A | 64.3 | Low | 82.2 | Confident | 69 Ų | 69 | 60.1 Ų | 60.1 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | trans | -56.7 | 130.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | N209 N210 | A207-N209 PolarHBondContact O-N 3.5Å; A207-N210 CarbonylContact O-C 3.58Å; A207-N210 PolarHBondContact O-N 2.83Å; A207-N210 VanDerWaalsContact O-N 3.11Å | ||
| 208 | Q | 67.7 | Low | 82.3 | Confident | 193 Ų | 193 | 59 Ų | 59 | 90% | 0.902 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.8 | -168.5 | -168.9 | 148.2 | -17.4 | 0 | 0 | 114.2 | S206 | S206-Q208 PolarHBondContact O-N 3.4Š|
| 209 | N | 73.6 | Confident | 82.3 | Confident | 153 Ų | 153 | 60.8 Ų | 60.8 | 82% | 0.818 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -19.8 | -177.4 | -63.1 | -10 | 0 | 0 | 0 | 114 | A207 | A207-N209 PolarHBondContact O-N 3.5Š|
| 210 | N | 85.1 | Confident | 82.1 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -152.7 | 78.9 | -177.1 | -170.4 | 21.5 | 0 | 0 | 0 | 111.2 | A207 H231 R232 M233 | A207-N210 CarbonylContact O-C 3.58Å; A207-N210 PolarHBondContact O-N 2.83Å; A207-N210 VanDerWaalsContact O-N 3.11Å; N210-H231 VanDerWaalsContact ND2-CB 3.32Å; N210-H231 WeakPolarHBondContact ND2-CB 3.06Å; N210-H231 PolarHBondContact O-ND1 3.15Å; N210-H231 VanDerWaalsContact O-ND1 3.07Å; N210-H231 WeakPolarHBondContact OD1-CB 3.43Å; N210-R232 PolarHBondContact OD1-N 3.28Å; N210-M233 HydrophobicContact CB-CG 4.3Å; N210-M233 WeakPolarHBondContact OD1-CB 3.46Å; N210-M233 VanDerWaalsContact OD1-CG 3.22Å; N210-M233 WeakPolarHBondContact OD1-CG 3.21Å; N210-M233 PolarHBondContact OD1-N 2.91Å |
| 211 | P | 88.9 | Confident | 82 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | trans | -68.1 | 156 | -174.5 | 26.1 | -32.2 | 0 | 0 | 0 | 112.6 | S206 H231 R232 | S206-P211 VanDerWaalsContact CB-CB 3.49Å; S206-P211 WeakPolarHBondContact OG-CA 3.27Å; S206-P211 WeakPolarHBondContact OG-CB 3.21Å; P211-H231 WeakPolarHBondContact O-CA 3.45Å; P211-R232 HydrophobicContact CG-CB 4.38Å; P211-R232 PolarHBondContact O-N 3.32Å | ||
| 212 | L | 92 | Very high | 82.5 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 137.1 | 167.2 | -75.4 | 162.3 | 0 | 0 | 0 | 109.4 | P203 S206 N229 L230 | P203-L212 HydrophobicContact CB-CB 4.03Å; P203-L212 HydrophobicContact CG-CB 4.41Å; P203-L212 WeakPolarHBondContact CG-O 3.41Å; S206-L212 PolarHBondContact OG-N 2.78Å; L212-N229 HydrophobicContact CD2-CB 3.73Å; L212-L230 WeakPolarHBondContact CA-O 3.49Å |
| 213 | I | 93.7 | Very high | 83.5 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 162.5 | 177.2 | 61.4 | 163.4 | 0 | 0 | 0 | 109.6 | I157 D159 L230 R232 I238 | I157-I213 HydrophobicContact CG2-CD1 3.8Å; D159-I213 HydrophobicContact CB-CB 4.44Å; D159-I213 HydrophobicContact CB-CG2 3.74Å; D159-I213 VanDerWaalsContact CG-CG2 3.45Å; I213-L230 HydrophobicContact CD1-CD2 3.88Å; I213-L230 HydrophobicContact CD1-CG 4.06Å; I213-L230 HydrophobicContact CG1-CB 4.22Å; I213-L230 HydrophobicContact CG1-CD2 3.99Å; I213-L230 HydrophobicContact CG1-CG 3.88Å; I213-L230 WeakPolarHBondContact CG1-O 3.08Å; I213-L230 PolarHBondContact N-O 3.35Å; I213-R232 HydrophobicContact CG2-CB 4.16Å; I213-I238 HydrophobicContact CD1-CD1 4.21Å |
| 214 | S | 95.3 | Very high | 84.8 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 145 | 169 | -65.7 | 0 | 0 | 0 | 0 | 110.1 | F158 | F158-S214 PolarHBondContact N-O 3.13Å; F158-S214 PolarHBondContact O-N 2.81Å |
| 215 | A | 96.7 | Very high | 86.5 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.017 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L155 V156 Y226 L230 F241 | L155-A215 HydrophobicContact CD1-CB 4.36Å; V156-A215 WeakPolarHBondContact O-CA 3.43Å; A215-Y226 WeakPolarHBondContact O-CB 3.45Å; A215-Y226 PolarHBondContact O-N 3Å; A215-L230 HydrophobicContact CB-CD2 3.77Å; A215-F241 HydrophobicContact CB-CD1 4.29Å; A215-F241 HydrophobicContact CB-CE1 4.06Å |
| 216 | I | 96.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.6 | 170.1 | 69 | 180 | 0 | 0 | 0 | 109.9 | L155 V156 F158 F198 I200 L218 M223 Y224 Q225 | L155-I216 CarbonylContact C-O 3.55Å; L155-I216 WeakPolarHBondContact CA-O 3.45Å; V156-I216 HydrophobicContact CB-CD1 4.23Å; V156-I216 HydrophobicContact CB-CG1 3.73Å; V156-I216 HydrophobicContact CG1-CG1 4.48Å; V156-I216 HydrophobicContact CG2-CG1 4.41Å; V156-I216 PolarHBondContact N-O 3.33Å; V156-I216 PolarHBondContact O-N 3.37Å; F158-I216 HydrophobicContact CE2-CB 4.49Å; F158-I216 HydrophobicContact CE2-CD1 3.78Å; F158-I216 HydrophobicContact CE2-CG1 3.83Å; F158-I216 HydrophobicContact CE2-CG2 4.02Å; F158-I216 HydrophobicContact CZ-CD1 3.91Å; F158-I216 HydrophobicContact CZ-CG1 4.44Å; F198-I216 HydrophobicContact CD1-CD1 3.78Å; F198-I216 HydrophobicContact CD2-CD1 4.15Å; F198-I216 HydrophobicContact CE1-CD1 3.88Å; F198-I216 HydrophobicContact CE2-CD1 4.28Å; F198-I216 HydrophobicContact CG-CD1 3.91Å; F198-I216 HydrophobicContact CZ-CD1 4.15Å; I200-I216 HydrophobicContact CD1-CG2 4.31Å; I216-L218 HydrophobicContact CD1-CD2 4.06Å; I216-L218 HydrophobicContact CG1-CD2 4.46Å; I216-M223 HydrophobicContact CB-CG 4.28Å; I216-M223 HydrophobicContact CD1-SD 4.39Å; I216-M223 HydrophobicContact CG2-SD 4.44Å; I216-Y224 CarbonylContact C-O 3.48Å; I216-Y224 WeakPolarHBondContact CA-O 3.43Å; I216-Q225 HydrophobicContact CG2-CB 4.02Å; I216-Q225 HydrophobicContact CG2-CG 4.06Å |
| 217 | L | 96.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.5 | 171.7 | -178.6 | 73 | 0 | 0 | 0 | 108.8 | N153 W154 L155 V181 K219 M223 Y224 F241 Y246 | N153-L217 HydrophobicContact CB-CD1 4.36Å; W154-L217 CarbonylContact O-C 3.55Å; W154-L217 WeakPolarHBondContact O-CA 3.49Å; L155-L217 HydrophobicContact CB-CD1 4.34Å; V181-L217 HydrophobicContact CG1-CD1 4.36Å; L217-K219 HydrophobicContact CG-CB 4.48Å; L217-M223 CarbonylContact O-C 3.6Å; L217-M223 WeakPolarHBondContact O-CA 3.3Å; L217-Y224 PolarHBondContact N-O 3.28Å; L217-Y224 PolarHBondContact O-N 2.97Å; L217-F241 HydrophobicContact CB-CE1 3.95Å; L217-F241 HydrophobicContact CB-CZ 3.86Å; L217-Y246 HydrophobicContact CD2-CD1 3.74Å; L217-Y246 HydrophobicContact CD2-CD2 4.16Å; L217-Y246 HydrophobicContact CD2-CG 3.54Å |
| 218 | L | 94.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117 | 172.4 | -48.5 | 176.1 | 0 | 0 | 0 | 108.2 | F139 A145 N153 W154 V156 F198 I216 M223 I254 | F139-L218 HydrophobicContact CZ-CD1 4.07Å; A145-L218 HydrophobicContact CB-CD1 3.81Å; N153-L218 WeakPolarHBondContact CA-O 3.32Å; W154-L218 HydrophobicContact CB-CB 4.15Å; W154-L218 HydrophobicContact CB-CD1 4.22Å; W154-L218 HydrophobicContact CB-CG 4.42Å; W154-L218 PolarHBondContact N-O 3.49Å; W154-L218 PolarHBondContact O-N 3.29Å; V156-L218 HydrophobicContact CG2-CD1 4.25Å; F198-L218 HydrophobicContact CE1-CD2 4.48Å; I216-L218 HydrophobicContact CD1-CD2 4.06Å; I216-L218 HydrophobicContact CG1-CD2 4.46Å; L218-M223 HydrophobicContact CD2-CB 4.27Å; L218-M223 HydrophobicContact CD2-CG 4.14Å; L218-I254 HydrophobicContact CB-CD1 4.37Å; L218-I254 HydrophobicContact CD2-CD1 4.09Å; L218-I254 HydrophobicContact CD2-CG1 4.09Å |
| 219 | K | 92.6 | Very high | 92 | Very high | 42 Ų | 42 | 48.3 Ų | 48.3 | 18% | 0.183 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 117.1 | -176.8 | 174.3 | 165.7 | -172.6 | 173.3 | 0 | 109.9 | N153 L217 S221 T222 Y224 Y246 | N153-K219 WeakPolarHBondContact OD1-CG 3.39Å; L217-K219 HydrophobicContact CG-CB 4.48Å; K219-S221 PolarHBondContact O-N 3.17Å; K219-T222 PolarHBondContact N-O 3.1Å; K219-T222 WeakPolarHBondContact O-CA 3.33Å; K219-T222 VanDerWaalsContact O-CB 3.28Å; K219-T222 WeakPolarHBondContact O-CB 3.07Å; K219-T222 PolarHBondContact O-N 3.47Å; K219-Y224 HydrophobicContact CB-CE2 4.25Å; K219-Y246 HydrophobicContact CD-CE2 4.16Å; K219-Y246 VanDerWaalsContact NZ-CZ 3.33Å; K219-Y246 PolarHBondContact NZ-OH 3.01Å |
| 220 | Q | 88.2 | Confident | 92.9 | Very high | 150 Ų | 150 | 41.1 Ų | 41.1 | 70% | 0.701 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 57.2 | 173.6 | -60.4 | 171.3 | -27.2 | 0 | 0 | 112.7 | T222 | Q220-T222 PolarHBondContact O-N 2.01Å; Q220-T222 PolarHBondContact O-OG1 3.12Å |
| 221 | S | 87.7 | Confident | 93.2 | Very high | 69 Ų | 69 | 42 Ų | 42 | 48% | 0.483 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 8.3 | -177.3 | -52.7 | 0 | 0 | 0 | 0 | 115.6 | G148 K219 | G148-S221 WeakPolarHBondContact CA-OG 3.48Å; K219-S221 PolarHBondContact O-N 3.17Å |
| 222 | T | 92.2 | Very high | 93.3 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.4 | 176.4 | -53.5 | 0 | 0 | 0 | 0 | 109.4 | K219 Q220 Y224 K251 G252 | K219-T222 PolarHBondContact N-O 3.1Å; K219-T222 WeakPolarHBondContact O-CA 3.33Å; K219-T222 VanDerWaalsContact O-CB 3.28Å; K219-T222 WeakPolarHBondContact O-CB 3.07Å; K219-T222 PolarHBondContact O-N 3.47Å; Q220-T222 PolarHBondContact O-N 2.01Å; Q220-T222 PolarHBondContact O-OG1 3.12Å; T222-Y224 HydrophobicContact CG2-CD2 4.26Å; T222-Y224 HydrophobicContact CG2-CE1 4.27Å; T222-Y224 HydrophobicContact CG2-CE2 3.61Å; T222-K251 HydrophobicContact CG2-CD 4.32Å; T222-K251 HydrophobicContact CG2-CG 3.74Å; T222-G252 WeakPolarHBondContact CG2-O 3.4Å |
| 223 | M | 94.4 | Very high | 93.2 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136 | 169.3 | -178.6 | -175.5 | 70.5 | 0 | 0 | 109.5 | F198 I216 L217 L218 G252 I254 | F198-M223 HydrophobicContact CD1-SD 3.37Å; F198-M223 WeakPolarHBondContact CD1-SD 3.34Å; F198-M223 HydrophobicContact CE1-SD 3.74Å; I216-M223 HydrophobicContact CB-CG 4.28Å; I216-M223 HydrophobicContact CD1-SD 4.39Å; I216-M223 HydrophobicContact CG2-SD 4.44Å; L217-M223 CarbonylContact O-C 3.6Å; L217-M223 WeakPolarHBondContact O-CA 3.3Å; L218-M223 HydrophobicContact CD2-CB 4.27Å; L218-M223 HydrophobicContact CD2-CG 4.14Å; M223-G252 PolarHBondContact N-O 3.31Å; M223-G252 PolarHBondContact O-N 2.9Å; M223-G252 VanDerWaalsContact O-O 3.1Å; M223-I254 HydrophobicContact CB-CG1 3.97Å |
| 224 | Y | 97 | Very high | 93.1 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 9% | 0.09 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 129.7 | 165.1 | -57.6 | -92.2 | 0 | 0 | 0 | 107.7 | I216 L217 K219 T222 F241 Y246 I250 K251 | I216-Y224 CarbonylContact C-O 3.48Å; I216-Y224 WeakPolarHBondContact CA-O 3.43Å; L217-Y224 PolarHBondContact N-O 3.28Å; L217-Y224 PolarHBondContact O-N 2.97Å; K219-Y224 HydrophobicContact CB-CE2 4.25Å; T222-Y224 HydrophobicContact CG2-CD2 4.26Å; T222-Y224 HydrophobicContact CG2-CE1 4.27Å; T222-Y224 HydrophobicContact CG2-CE2 3.61Å; Y224-F241 WeakPolarHBondContact O-CZ 3.37Å; Y224-Y246 AromaticContact CD1-CD2 3.91Å; Y224-Y246 HydrophobicContact CD1-CD2 3.91Å; Y224-Y246 WeakPolarHBondContact CD1-O 3.43Å; Y224-Y246 AromaticContact CD2-CD2 3.83Å; Y224-Y246 HydrophobicContact CD2-CD2 3.83Å; Y224-Y246 AromaticContact CE1-CD2 3.84Å; Y224-Y246 HydrophobicContact CE1-CD2 3.84Å; Y224-Y246 HydrophobicContact CE1-CE2 4.33Å; Y224-Y246 AromaticContact CE2-CD2 3.79Å; Y224-Y246 HydrophobicContact CE2-CD2 3.79Å; Y224-Y246 HydrophobicContact CE2-CE2 4.1Å; Y224-Y246 AromaticContact CG-CD2 3.9Å; Y224-Y246 HydrophobicContact CG-CD2 3.9Å; Y224-Y246 AromaticContact CZ-CD2 3.79Å; Y224-Y246 AromaticContact CZ-CE2 3.97Å; Y224-I250 CarbonylContact C-O 3.57Å; Y224-I250 VanDerWaalsContact CA-O 3.28Å; Y224-I250 WeakPolarHBondContact CA-O 3.46Å; Y224-K251 HydrophobicContact CD1-CB 4.08Å; Y224-K251 HydrophobicContact CD1-CG 4.16Å; Y224-K251 HydrophobicContact CE1-CB 4.03Å; Y224-K251 HydrophobicContact CE1-CD 3.89Å; Y224-K251 HydrophobicContact CE1-CG 3.71Å |
| 225 | Q | 96.8 | Very high | 92.9 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.9 | 177.9 | 175.1 | 175.1 | 4.4 | 0 | 0 | 109.3 | I216 S227 H249 I250 | I216-Q225 HydrophobicContact CG2-CB 4.02Å; I216-Q225 HydrophobicContact CG2-CG 4.06Å; Q225-S227 PolarHBondContact O-N 3.49Å; Q225-H249 WeakPolarHBondContact O-CB 3.36Å; Q225-I250 HydrophobicContact CB-CB 4.25Å; Q225-I250 PolarHBondContact N-O 2.83Å; Q225-I250 PolarHBondContact O-N 2.87Å; Q225-I250 VanDerWaalsContact O-N 3.09Å |
| 226 | Y | 96.4 | Very high | 92.6 | Very high | 20 Ų | 20 | 50 Ų | 50 | 8% | 0.078 | 25% | 0.249 | C | C | . | . | trans | -58.2 | 126.8 | 178.2 | -165.3 | -93.4 | 0 | 0 | 0 | 110.1 | A215 K228 L230 Q237 F241 H249 | A215-Y226 WeakPolarHBondContact O-CB 3.45Å; A215-Y226 PolarHBondContact O-N 3Å; Y226-K228 HydrophobicContact CD1-CB 4.4Å; Y226-K228 WeakPolarHBondContact CD1-O 3.39Å; Y226-K228 HydrophobicContact CE1-CB 3.62Å; Y226-K228 WeakPolarHBondContact CE1-O 3.43Å; Y226-L230 HydrophobicContact CD1-CB 3.71Å; Y226-L230 HydrophobicContact CD1-CD1 4.5Å; Y226-L230 HydrophobicContact CD1-CD2 4.22Å; Y226-L230 HydrophobicContact CD1-CG 4.38Å; Y226-L230 HydrophobicContact CE1-CB 3.72Å; Y226-L230 HydrophobicContact CE1-CD1 4.03Å; Y226-L230 HydrophobicContact CE1-CG 4.32Å; Y226-L230 HydrophobicContact CG-CD2 4.3Å; Y226-Q237 PolarHBondContact OH-OE1 3.44Å; Y226-F241 HydrophobicContact CD2-CB 3.85Å; Y226-F241 HydrophobicContact CD2-CD1 4.15Å; Y226-F241 AromaticContact CD2-CD2 3.67Å; Y226-F241 HydrophobicContact CD2-CD2 3.67Å; Y226-F241 HydrophobicContact CD2-CE2 4.23Å; Y226-F241 AromaticContact CD2-CG 3.62Å; Y226-F241 HydrophobicContact CD2-CG 3.62Å; Y226-F241 HydrophobicContact CE2-CB 4.07Å; Y226-F241 HydrophobicContact CE2-CD2 4.45Å; Y226-F241 HydrophobicContact CE2-CG 4.33Å; Y226-H249 AromaticContact CD2-CE1 3.42Å; Y226-H249 VanDerWaalsContact CD2-CE1 3.42Å; Y226-H249 WeakPolarHBondContact CD2-CE1 3.32Å; Y226-H249 AromaticContact CD2-ND1 3.94Å; Y226-H249 AromaticContact CD2-NE2 3.59Å; Y226-H249 AromaticContact CE2-CE1 3.26Å; Y226-H249 WeakPolarHBondContact CE2-CE1 3.24Å; Y226-H249 AromaticContact CE2-NE2 3.42Å; Y226-H249 WeakPolarHBondContact CE2-NE2 3.39Å; Y226-H249 AromaticContact CZ-CE1 3.79Å | ||
| 227 | S | 91.6 | Very high | 92.5 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 43% | 0.427 | 26% | 0.264 | S | S | . | . | trans | -98.6 | -12.7 | -165.1 | 61 | 0 | 0 | 0 | 0 | 114.8 | Q225 H249 | Q225-S227 PolarHBondContact O-N 3.49Å; S227-H249 PolarHBondContact N-ND1 2.83Å; S227-H249 VanDerWaalsContact N-ND1 3.17Å; S227-H249 PolarHBondContact OG-ND1 2.83Å | ||
| 228 | K | 91.6 | Very high | 92.4 | Very high | 141 Ų | 141 | 53.2 Ų | 53.2 | 61% | 0.613 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -104.8 | 171.3 | 179.9 | -57.7 | 174.5 | -176.4 | 170.6 | 0 | 109.6 | Y226 L230 | Y226-K228 HydrophobicContact CD1-CB 4.4Å; Y226-K228 WeakPolarHBondContact CD1-O 3.39Å; Y226-K228 HydrophobicContact CE1-CB 3.62Å; Y226-K228 WeakPolarHBondContact CE1-O 3.43Å; K228-L230 PolarHBondContact O-N 2.75Å |
| 229 | N | 90.6 | Very high | 92.5 | Very high | 127 Ų | 127 | 54 Ų | 54 | 68% | 0.679 | 27% | 0.268 | S | S | * | . | trans | -66.7 | 121.5 | 168.9 | -69.4 | -13.5 | 0 | 0 | 0 | 109 | L212 | L212-N229 HydrophobicContact CD2-CB 3.73Š| ||
| 230 | L | 92.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.1 | 179 | -174.9 | 65.1 | 0 | 0 | 0 | 108.4 | L212 I213 A215 Y226 K228 D234 Q237 I238 | L212-L230 WeakPolarHBondContact CA-O 3.49Å; I213-L230 HydrophobicContact CD1-CD2 3.88Å; I213-L230 HydrophobicContact CD1-CG 4.06Å; I213-L230 HydrophobicContact CG1-CB 4.22Å; I213-L230 HydrophobicContact CG1-CD2 3.99Å; I213-L230 HydrophobicContact CG1-CG 3.88Å; I213-L230 WeakPolarHBondContact CG1-O 3.08Å; I213-L230 PolarHBondContact N-O 3.35Å; A215-L230 HydrophobicContact CB-CD2 3.77Å; Y226-L230 HydrophobicContact CD1-CB 3.71Å; Y226-L230 HydrophobicContact CD1-CD1 4.5Å; Y226-L230 HydrophobicContact CD1-CD2 4.22Å; Y226-L230 HydrophobicContact CD1-CG 4.38Å; Y226-L230 HydrophobicContact CE1-CB 3.72Å; Y226-L230 HydrophobicContact CE1-CD1 4.03Å; Y226-L230 HydrophobicContact CE1-CG 4.32Å; Y226-L230 HydrophobicContact CG-CD2 4.3Å; K228-L230 PolarHBondContact O-N 2.75Å; L230-D234 HydrophobicContact CD1-CB 3.88Å; L230-Q237 HydrophobicContact CD1-CB 3.81Å; L230-I238 HydrophobicContact CD1-CG1 4.13Å; L230-I238 HydrophobicContact CD2-CG1 4.12Å; L230-I238 HydrophobicContact CG-CG1 4.47Å |
| 231 | H | 91.7 | Very high | 93.1 | Very high | 61 Ų | 61 | 48.4 Ų | 48.4 | 28% | 0.282 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 154.7 | 171.6 | -63.7 | -93.1 | 0 | 0 | 0 | 111.1 | N210 P211 M233 D234 | N210-H231 VanDerWaalsContact ND2-CB 3.32Å; N210-H231 WeakPolarHBondContact ND2-CB 3.06Å; N210-H231 PolarHBondContact O-ND1 3.15Å; N210-H231 VanDerWaalsContact O-ND1 3.07Å; N210-H231 WeakPolarHBondContact OD1-CB 3.43Å; P211-H231 WeakPolarHBondContact O-CA 3.45Å; H231-M233 PolarHBondContact O-N 2.85Å; H231-D234 VanDerWaalsContact CB-OD2 3.31Å; H231-D234 WeakPolarHBondContact CB-OD2 3.49Å; H231-D234 IonicContact CD2-OD2 3.54Å; H231-D234 IonicContact CG-OD2 3.82Å; H231-D234 PolarHBondContact N-OD2 2.83Å; H231-D234 WeakPolarHBondContact O-CB 3.34Å; H231-D234 PolarHBondContact O-N 2.98Å |
| 232 | R | 90.5 | Very high | 93.5 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -42.9 | 179.4 | -179 | -174.6 | -66.1 | 155.6 | -3.1 | 112.9 | D159 N210 P211 I213 D234 Y235 | D159-R232 IonicContact OD1-CZ 3.75Å; D159-R232 IonicContact OD1-NE 3.77Å; D159-R232 IonicContact OD1-NH2 2.84Å; D159-R232 PolarHBondContact OD1-NH2 2.8Å; D159-R232 IonicContact OD2-CZ 3.42Å; D159-R232 IonicContact OD2-NE 2.79Å; D159-R232 PolarHBondContact OD2-NE 2.84Å; D159-R232 IonicContact OD2-NH2 3.2Å; D159-R232 PolarHBondContact OD2-NH2 2.83Å; N210-R232 PolarHBondContact OD1-N 3.28Å; P211-R232 HydrophobicContact CG-CB 4.38Å; P211-R232 PolarHBondContact O-N 3.32Å; I213-R232 HydrophobicContact CG2-CB 4.16Å; R232-D234 VanDerWaalsContact C-N 3.27Å; R232-D234 PolarHBondContact O-N 3.49Å; R232-Y235 WeakPolarHBondContact O-CE1 3.03Å |
| 233 | M | 88.8 | Confident | 93.7 | Very high | 41 Ų | 41 | 46 Ų | 46 | 20% | 0.202 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.3 | -175.9 | -59.7 | -58.5 | -62.4 | 0 | 0 | 113.9 | M92 I168 N210 H231 Y235 | M92-M233 WeakPolarHBondContact O-CE 3.44Å; I168-M233 HydrophobicContact CD1-SD 4.39Å; N210-M233 HydrophobicContact CB-CG 4.3Å; N210-M233 WeakPolarHBondContact OD1-CB 3.46Å; N210-M233 VanDerWaalsContact OD1-CG 3.22Å; N210-M233 WeakPolarHBondContact OD1-CG 3.21Å; N210-M233 PolarHBondContact OD1-N 2.91Å; H231-M233 PolarHBondContact O-N 2.85Å; M233-Y235 HydrophobicContact CE-CE2 3.61Å; M233-Y235 WeakPolarHBondContact CE-OH 3.48Å; M233-Y235 PolarHBondContact O-N 3.05Å; M233-Y235 HydrophobicContact SD-CE1 4.46Å; M233-Y235 HydrophobicContact SD-CE2 4.4Å; M233-Y235 PolarHBondContact SD-OH 3.32Å |
| 234 | D | 91.2 | Very high | 93.7 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | trans | -80 | 53.2 | -179.9 | -69.8 | -32.2 | 0 | 0 | 0 | 112.1 | L230 H231 R232 E236 Q237 I238 | L230-D234 HydrophobicContact CD1-CB 3.88Å; H231-D234 VanDerWaalsContact CB-OD2 3.31Å; H231-D234 WeakPolarHBondContact CB-OD2 3.49Å; H231-D234 IonicContact CD2-OD2 3.54Å; H231-D234 IonicContact CG-OD2 3.82Å; H231-D234 PolarHBondContact N-OD2 2.83Å; H231-D234 WeakPolarHBondContact O-CB 3.34Å; H231-D234 PolarHBondContact O-N 2.98Å; R232-D234 VanDerWaalsContact C-N 3.27Å; R232-D234 PolarHBondContact O-N 3.49Å; D234-E236 VanDerWaalsContact C-N 3.28Å; D234-E236 PolarHBondContact O-N 2.92Å; D234-Q237 HydrophobicContact CB-CB 4.09Å; D234-Q237 HydrophobicContact CB-CG 4.08Å; D234-Q237 WeakPolarHBondContact O-CB 3.5Å; D234-Q237 PolarHBondContact O-N 3.01Å; D234-Q237 PolarHBondContact OD1-NE2 3.47Å; D234-Q237 PolarHBondContact OD2-NE2 3.35Å; D234-I238 PolarHBondContact O-N 2.81Å | ||
| 235 | Y | 91.1 | Very high | 93.6 | Very high | 31 Ų | 31 | 50 Ų | 50 | 12% | 0.122 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54.5 | -40.7 | -172.8 | -52.7 | -48.9 | 0 | 0 | 0 | 113.6 | F110 I168 L172 R232 M233 Q237 I238 F239 | F110-Y235 AromaticContact CD1-CD2 3.81Å; F110-Y235 HydrophobicContact CD1-CD2 3.81Å; F110-Y235 AromaticContact CD1-CE2 3.95Å; F110-Y235 HydrophobicContact CD1-CE2 3.95Å; F110-Y235 HydrophobicContact CD1-CG 4.2Å; F110-Y235 AromaticContact CE1-CD2 3.65Å; F110-Y235 HydrophobicContact CE1-CD2 3.65Å; F110-Y235 HydrophobicContact CE1-CE1 4.24Å; F110-Y235 AromaticContact CE1-CE2 3.28Å; F110-Y235 HydrophobicContact CE1-CE2 3.28Å; F110-Y235 HydrophobicContact CE1-CG 4.24Å; F110-Y235 AromaticContact CE1-CZ 3.58Å; F110-Y235 HydrophobicContact CE2-CE1 4.46Å; F110-Y235 HydrophobicContact CZ-CD2 4.38Å; F110-Y235 HydrophobicContact CZ-CE1 4.01Å; F110-Y235 AromaticContact CZ-CE2 3.8Å; F110-Y235 HydrophobicContact CZ-CE2 3.8Å; F110-Y235 AromaticContact CZ-CZ 3.55Å; I168-Y235 HydrophobicContact CG2-CE1 3.55Å; L172-Y235 HydrophobicContact CD1-CD1 4.17Å; L172-Y235 HydrophobicContact CD1-CE1 4.5Å; L172-Y235 HydrophobicContact CD2-CD1 4.02Å; L172-Y235 HydrophobicContact CD2-CG 4.43Å; L172-Y235 HydrophobicContact CG-CD1 4.48Å; R232-Y235 WeakPolarHBondContact O-CE1 3.03Å; M233-Y235 HydrophobicContact CE-CE2 3.61Å; M233-Y235 WeakPolarHBondContact CE-OH 3.48Å; M233-Y235 PolarHBondContact O-N 3.05Å; M233-Y235 HydrophobicContact SD-CE1 4.46Å; M233-Y235 HydrophobicContact SD-CE2 4.4Å; M233-Y235 PolarHBondContact SD-OH 3.32Å; Y235-Q237 VanDerWaalsContact C-N 3.31Å; Y235-Q237 PolarHBondContact O-N 3.32Å; Y235-I238 WeakPolarHBondContact O-CB 3.38Å; Y235-I238 PolarHBondContact O-N 2.87Å; Y235-F239 WeakPolarHBondContact O-CD2 3.38Å; Y235-F239 PolarHBondContact O-N 3.21Å |
| 236 | E | 91.2 | Very high | 93.5 | Very high | 120 Ų | 120 | 50.3 Ų | 50.3 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61 | -42 | 177.2 | -176.3 | 57.4 | -147.6 | 0 | 0 | 111.3 | D234 I238 F239 Q240 | D234-E236 VanDerWaalsContact C-N 3.28Å; D234-E236 PolarHBondContact O-N 2.92Å; E236-I238 VanDerWaalsContact C-N 3.34Å; E236-I238 PolarHBondContact O-N 3.28Å; E236-F239 PolarHBondContact O-N 3.22Å; E236-Q240 VanDerWaalsContact O-CG 3.31Å; E236-Q240 WeakPolarHBondContact O-CG 3.43Å; E236-Q240 PolarHBondContact O-N 3Å; E236-Q240 PolarHBondContact OE1-NE2 3.12Å |
| 237 | Q | 94.7 | Very high | 93.5 | Very high | 68 Ų | 68 | 52.8 Ų | 52.8 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 177.9 | -57.1 | -176.7 | 51.9 | 0 | 0 | 111.1 | Y226 L230 D234 Y235 F241 | Y226-Q237 PolarHBondContact OH-OE1 3.44Å; L230-Q237 HydrophobicContact CD1-CB 3.81Å; D234-Q237 HydrophobicContact CB-CB 4.09Å; D234-Q237 HydrophobicContact CB-CG 4.08Å; D234-Q237 WeakPolarHBondContact O-CB 3.5Å; D234-Q237 PolarHBondContact O-N 3.01Å; D234-Q237 PolarHBondContact OD1-NE2 3.47Å; D234-Q237 PolarHBondContact OD2-NE2 3.35Å; Y235-Q237 VanDerWaalsContact C-N 3.31Å; Y235-Q237 PolarHBondContact O-N 3.32Å; Q237-F241 VanDerWaalsContact O-CB 3.24Å; Q237-F241 WeakPolarHBondContact O-CB 3.42Å; Q237-F241 PolarHBondContact O-N 3.39Å |
| 238 | I | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 173.7 | -63.3 | 172.8 | 0 | 0 | 0 | 110.6 | L155 I157 L172 I213 L230 D234 Y235 E236 F241 A242 | L155-I238 HydrophobicContact CD2-CG2 3.69Å; I157-I238 HydrophobicContact CD1-CG2 4.48Å; L172-I238 HydrophobicContact CD1-CD1 4.27Å; I213-I238 HydrophobicContact CD1-CD1 4.21Å; L230-I238 HydrophobicContact CD1-CG1 4.13Å; L230-I238 HydrophobicContact CD2-CG1 4.12Å; L230-I238 HydrophobicContact CG-CG1 4.47Å; D234-I238 PolarHBondContact O-N 2.81Å; Y235-I238 WeakPolarHBondContact O-CB 3.38Å; Y235-I238 PolarHBondContact O-N 2.87Å; E236-I238 VanDerWaalsContact C-N 3.34Å; E236-I238 PolarHBondContact O-N 3.28Å; I238-F241 PolarHBondContact O-N 3.11Å; I238-A242 WeakPolarHBondContact O-CB 3.32Å; I238-A242 PolarHBondContact O-N 3.13Å |
| 239 | F | 95.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 178.3 | -77.3 | -59.1 | 0 | 0 | 0 | 112.7 | F110 L172 T175 L176 Y235 E236 F241 A242 L243 | F110-F239 HydrophobicContact CB-CE2 3.76Å; F110-F239 HydrophobicContact CB-CZ 3.8Å; F110-F239 WeakPolarHBondContact O-CE2 3.4Å; L172-F239 HydrophobicContact CD2-CE1 4.23Å; L172-F239 HydrophobicContact CD2-CE2 3.7Å; L172-F239 HydrophobicContact CD2-CZ 3.49Å; L172-F239 VanDerWaalsContact CD2-CZ 3.49Å; T175-F239 HydrophobicContact CG2-CD1 4.36Å; T175-F239 HydrophobicContact CG2-CE1 3.48Å; T175-F239 VanDerWaalsContact CG2-CE1 3.48Å; T175-F239 HydrophobicContact CG2-CZ 3.75Å; L176-F239 HydrophobicContact CD2-CD1 3.71Å; L176-F239 HydrophobicContact CD2-CE1 4.03Å; L176-F239 HydrophobicContact CG-CD1 3.97Å; L176-F239 HydrophobicContact CG-CE1 3.83Å; Y235-F239 WeakPolarHBondContact O-CD2 3.38Å; Y235-F239 PolarHBondContact O-N 3.21Å; E236-F239 PolarHBondContact O-N 3.22Å; F239-F241 VanDerWaalsContact C-N 3.3Å; F239-F241 PolarHBondContact O-N 3.43Å; F239-A242 PolarHBondContact O-N 3.35Å; F239-L243 VanDerWaalsContact O-CB 3.28Å; F239-L243 WeakPolarHBondContact O-CB 3.45Å; F239-L243 VanDerWaalsContact O-CG 3.22Å; F239-L243 WeakPolarHBondContact O-CG 3.48Å; F239-L243 PolarHBondContact O-N 2.83Å; F239-L243 VanDerWaalsContact O-N 3.11Å |
| 240 | Q | 95.9 | Very high | 94.1 | Very high | 74 Ų | 74 | 48.1 Ų | 48.1 | 35% | 0.346 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 175.9 | -67.9 | -62.1 | -35 | 0 | 0 | 110 | E236 A242 L243 T244 D245 | E236-Q240 VanDerWaalsContact O-CG 3.31Å; E236-Q240 WeakPolarHBondContact O-CG 3.43Å; E236-Q240 PolarHBondContact O-N 3Å; E236-Q240 PolarHBondContact OE1-NE2 3.12Å; Q240-A242 PolarHBondContact O-N 3.43Å; Q240-L243 PolarHBondContact O-N 3.42Å; Q240-T244 WeakPolarHBondContact CA-OG1 3.28Å; Q240-T244 PolarHBondContact O-N 3.41Å; Q240-T244 PolarHBondContact O-OG1 3.06Å; Q240-T244 PolarHBondContact OE1-OG1 2.89Å; Q240-D245 PolarHBondContact O-N 3.04Å |
| 241 | F | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -57 | -51.8 | 177.1 | 179.4 | -122.3 | 0 | 0 | 0 | 111.9 | L155 A215 L217 Y224 Y226 Q237 I238 F239 L243 D245 Y246 H249 | L155-F241 HydrophobicContact CD1-CD1 3.67Å; L155-F241 HydrophobicContact CD1-CE1 3.75Å; A215-F241 HydrophobicContact CB-CD1 4.29Å; A215-F241 HydrophobicContact CB-CE1 4.06Å; L217-F241 HydrophobicContact CB-CE1 3.95Å; L217-F241 HydrophobicContact CB-CZ 3.86Å; Y224-F241 WeakPolarHBondContact O-CZ 3.37Å; Y226-F241 HydrophobicContact CD2-CB 3.85Å; Y226-F241 HydrophobicContact CD2-CD1 4.15Å; Y226-F241 AromaticContact CD2-CD2 3.67Å; Y226-F241 HydrophobicContact CD2-CD2 3.67Å; Y226-F241 HydrophobicContact CD2-CE2 4.23Å; Y226-F241 AromaticContact CD2-CG 3.62Å; Y226-F241 HydrophobicContact CD2-CG 3.62Å; Y226-F241 HydrophobicContact CE2-CB 4.07Å; Y226-F241 HydrophobicContact CE2-CD2 4.45Å; Y226-F241 HydrophobicContact CE2-CG 4.33Å; Q237-F241 VanDerWaalsContact O-CB 3.24Å; Q237-F241 WeakPolarHBondContact O-CB 3.42Å; Q237-F241 PolarHBondContact O-N 3.39Å; I238-F241 PolarHBondContact O-N 3.11Å; F239-F241 VanDerWaalsContact C-N 3.3Å; F239-F241 PolarHBondContact O-N 3.43Å; F241-L243 PolarHBondContact O-N 3.02Å; F241-D245 WeakPolarHBondContact CA-OD1 3.32Å; F241-D245 PolarHBondContact N-OD1 3.44Å; F241-Y246 VanDerWaalsContact O-CB 3.23Å; F241-Y246 WeakPolarHBondContact O-CB 3.47Å; F241-Y246 PolarHBondContact O-N 2.87Å; F241-H249 AromaticContact CD2-CD2 3.44Å; F241-H249 VanDerWaalsContact CD2-CD2 3.44Å; F241-H249 WeakPolarHBondContact CD2-CD2 3.46Å; F241-H249 AromaticContact CD2-NE2 3.89Å; F241-H249 HydrophobicContact CE2-CB 4.06Å; F241-H249 AromaticContact CE2-CD2 3.78Å |
| 242 | A | 96.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -64 | -26.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | L155 L176 V181 I238 F239 Q240 | L155-A242 HydrophobicContact CD2-CB 4.19Å; L176-A242 HydrophobicContact CD1-CB 3.84Å; L176-A242 HydrophobicContact CD2-CB 3.77Å; V181-A242 HydrophobicContact CG1-CB 4.36Å; I238-A242 WeakPolarHBondContact O-CB 3.32Å; I238-A242 PolarHBondContact O-N 3.13Å; F239-A242 PolarHBondContact O-N 3.35Å; Q240-A242 PolarHBondContact O-N 3.43Å |
| 243 | L | 95.5 | Very high | 94.4 | Very high | 47 Ų | 47 | 56.1 Ų | 56.1 | 25% | 0.246 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -116.2 | -39.8 | -164.5 | -60.1 | 175.4 | 0 | 0 | 0 | 114.7 | L176 K179 V181 F239 Q240 F241 | L176-L243 HydrophobicContact CD2-CD1 4.07Å; L176-L243 HydrophobicContact CD2-CD2 3.74Å; L176-L243 HydrophobicContact CD2-CG 3.86Å; K179-L243 HydrophobicContact CB-CD2 3.68Å; K179-L243 HydrophobicContact CD-CD1 3.43Å; K179-L243 VanDerWaalsContact CD-CD1 3.43Å; K179-L243 HydrophobicContact CD-CD2 3.51Å; K179-L243 HydrophobicContact CD-CG 4.1Å; K179-L243 HydrophobicContact CG-CD2 4.25Å; V181-L243 HydrophobicContact CG2-CD2 4.08Å; F239-L243 VanDerWaalsContact O-CB 3.28Å; F239-L243 WeakPolarHBondContact O-CB 3.45Å; F239-L243 VanDerWaalsContact O-CG 3.22Å; F239-L243 WeakPolarHBondContact O-CG 3.48Å; F239-L243 PolarHBondContact O-N 2.83Å; F239-L243 VanDerWaalsContact O-N 3.11Å; Q240-L243 PolarHBondContact O-N 3.42Å; F241-L243 PolarHBondContact O-N 3.02Å |
| 244 | T | 94.7 | Very high | 94.5 | Very high | 83 Ų | 83 | 55.1 Ų | 55.1 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -129.9 | -47 | -162.1 | 48.4 | 0 | 0 | 0 | 0 | 113.3 | Q240 | Q240-T244 WeakPolarHBondContact CA-OG1 3.28Å; Q240-T244 PolarHBondContact O-N 3.41Å; Q240-T244 PolarHBondContact O-OG1 3.06Å; Q240-T244 PolarHBondContact OE1-OG1 2.89Å |
| 245 | D | 94.6 | Very high | 94.5 | Very high | 40 Ų | 40 | 55.2 Ų | 55.2 | 21% | 0.214 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -108 | 5.1 | -167.7 | 78.5 | -11.7 | 0 | 0 | 0 | 115.2 | Q240 F241 S247 N248 H249 | Q240-D245 PolarHBondContact O-N 3.04Å; F241-D245 WeakPolarHBondContact CA-OD1 3.32Å; F241-D245 PolarHBondContact N-OD1 3.44Å; D245-S247 PolarHBondContact O-N 3.31Å; D245-N248 WeakPolarHBondContact O-CB 3.43Å; D245-N248 PolarHBondContact O-N 3Å; D245-H249 PolarHBondContact O-CD2 2.95Å; D245-H249 IonicContact OD1-NE2 3.82Å; D245-H249 IonicContact OD2-NE2 3.92Å |
| 246 | Y | 96.4 | Very high | 94.3 | Very high | 45 Ų | 45 | 64.1 Ų | 64.1 | 18% | 0.176 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -48.4 | -33.3 | 176 | 58.2 | -91.3 | 0 | 0 | 0 | 114.1 | L217 K219 Y224 F241 N248 H249 | L217-Y246 HydrophobicContact CD2-CD1 3.74Å; L217-Y246 HydrophobicContact CD2-CD2 4.16Å; L217-Y246 HydrophobicContact CD2-CG 3.54Å; K219-Y246 HydrophobicContact CD-CE2 4.16Å; K219-Y246 VanDerWaalsContact NZ-CZ 3.33Å; K219-Y246 PolarHBondContact NZ-OH 3.01Å; Y224-Y246 AromaticContact CD1-CD2 3.91Å; Y224-Y246 HydrophobicContact CD1-CD2 3.91Å; Y224-Y246 WeakPolarHBondContact CD1-O 3.43Å; Y224-Y246 AromaticContact CD2-CD2 3.83Å; Y224-Y246 HydrophobicContact CD2-CD2 3.83Å; Y224-Y246 AromaticContact CE1-CD2 3.84Å; Y224-Y246 HydrophobicContact CE1-CD2 3.84Å; Y224-Y246 HydrophobicContact CE1-CE2 4.33Å; Y224-Y246 AromaticContact CE2-CD2 3.79Å; Y224-Y246 HydrophobicContact CE2-CD2 3.79Å; Y224-Y246 HydrophobicContact CE2-CE2 4.1Å; Y224-Y246 AromaticContact CG-CD2 3.9Å; Y224-Y246 HydrophobicContact CG-CD2 3.9Å; Y224-Y246 AromaticContact CZ-CD2 3.79Å; Y224-Y246 AromaticContact CZ-CE2 3.97Å; F241-Y246 VanDerWaalsContact O-CB 3.23Å; F241-Y246 WeakPolarHBondContact O-CB 3.47Å; F241-Y246 PolarHBondContact O-N 2.87Å; Y246-N248 PolarHBondContact O-N 3.14Å; Y246-H249 WeakPolarHBondContact O-CB 3.35Å; Y246-H249 PolarHBondContact O-N 3.26Å |
| 247 | S | 95.1 | Very high | 94 | Very high | 71 Ų | 71 | 60.7 Ų | 60.7 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -67.8 | -19.2 | -179.1 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | D245 H249 | D245-S247 PolarHBondContact O-N 3.31Å; S247-H249 VanDerWaalsContact C-N 3.27Å |
| 248 | N | 95.6 | Very high | 93 | Very high | 126 Ų | 126 | 62 Ų | 62 | 67% | 0.674 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -85.1 | -3.7 | 177.8 | -59.1 | -31.8 | 0 | 0 | 0 | 112.5 | D245 Y246 | D245-N248 WeakPolarHBondContact O-CB 3.43Å; D245-N248 PolarHBondContact O-N 3Å; Y246-N248 PolarHBondContact O-N 3.14Å |
| 249 | H | 96 | Very high | 92.1 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 7% | 0.074 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -101.1 | -177.3 | -179.7 | -68.6 | -74.7 | 0 | 0 | 0 | 111.8 | Q225 Y226 S227 F241 D245 Y246 S247 K251 | Q225-H249 WeakPolarHBondContact O-CB 3.36Å; Y226-H249 AromaticContact CD2-CE1 3.42Å; Y226-H249 VanDerWaalsContact CD2-CE1 3.42Å; Y226-H249 WeakPolarHBondContact CD2-CE1 3.32Å; Y226-H249 AromaticContact CD2-ND1 3.94Å; Y226-H249 AromaticContact CD2-NE2 3.59Å; Y226-H249 AromaticContact CE2-CE1 3.26Å; Y226-H249 WeakPolarHBondContact CE2-CE1 3.24Å; Y226-H249 AromaticContact CE2-NE2 3.42Å; Y226-H249 WeakPolarHBondContact CE2-NE2 3.39Å; Y226-H249 AromaticContact CZ-CE1 3.79Å; S227-H249 PolarHBondContact N-ND1 2.83Å; S227-H249 VanDerWaalsContact N-ND1 3.17Å; S227-H249 PolarHBondContact OG-ND1 2.83Å; F241-H249 AromaticContact CD2-CD2 3.44Å; F241-H249 VanDerWaalsContact CD2-CD2 3.44Å; F241-H249 WeakPolarHBondContact CD2-CD2 3.46Å; F241-H249 AromaticContact CD2-NE2 3.89Å; F241-H249 HydrophobicContact CE2-CB 4.06Å; F241-H249 AromaticContact CE2-CD2 3.78Å; D245-H249 PolarHBondContact O-CD2 2.95Å; D245-H249 IonicContact OD1-NE2 3.82Å; D245-H249 IonicContact OD2-NE2 3.92Å; Y246-H249 WeakPolarHBondContact O-CB 3.35Å; Y246-H249 PolarHBondContact O-N 3.26Å; S247-H249 VanDerWaalsContact C-N 3.27Å; H249-K251 PolarHBondContact O-N 2.87Å |
| 250 | I | 95.3 | Very high | 91.3 | Very high | 90 Ų | 90 | 73.4 Ų | 73.4 | 46% | 0.462 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 111.8 | -173.9 | -63.8 | 158.4 | 0 | 0 | 0 | 108.6 | Y224 Q225 | Y224-I250 CarbonylContact C-O 3.57Å; Y224-I250 VanDerWaalsContact CA-O 3.28Å; Y224-I250 WeakPolarHBondContact CA-O 3.46Å; Q225-I250 HydrophobicContact CB-CB 4.25Å; Q225-I250 PolarHBondContact N-O 2.83Å; Q225-I250 PolarHBondContact O-N 2.87Å; Q225-I250 VanDerWaalsContact O-N 3.09Å |
| 251 | K | 96 | Very high | 90.5 | Very high | 141 Ų | 141 | 76.2 Ų | 76.2 | 61% | 0.613 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 134.2 | 177 | -176.5 | -179.5 | 179.3 | 178.5 | 0 | 110.2 | T222 Y224 H249 | T222-K251 HydrophobicContact CG2-CD 4.32Å; T222-K251 HydrophobicContact CG2-CG 3.74Å; Y224-K251 HydrophobicContact CD1-CB 4.08Å; Y224-K251 HydrophobicContact CD1-CG 4.16Å; Y224-K251 HydrophobicContact CE1-CB 4.03Å; Y224-K251 HydrophobicContact CE1-CD 3.89Å; Y224-K251 HydrophobicContact CE1-CG 3.71Å; H249-K251 PolarHBondContact O-N 2.87Å |
| 252 | G | 93.2 | Very high | 89.5 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 27% | 0.268 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 168.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T222 M223 | T222-G252 WeakPolarHBondContact CG2-O 3.4Å; M223-G252 PolarHBondContact N-O 3.31Å; M223-G252 PolarHBondContact O-N 2.9Å; M223-G252 VanDerWaalsContact O-O 3.1Å |
| 253 | S | 91.5 | Very high | 88.6 | Confident | 98 Ų | 98 | 83 Ų | 83 | 69% | 0.685 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 144.8 | 165.4 | 55.3 | 0 | 0 | 0 | 0 | 109.6 | P255 | S253-P255 WeakPolarHBondContact O-CD 3.49Å; S253-P255 VanDerWaalsContact O-N 3.15Å |
| 254 | I | 91.7 | Very high | 87.9 | Confident | 20 Ų | 20 | 86.1 Ų | 86.1 | 10% | 0.103 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 116.9 | 172.2 | -61.4 | 174.2 | 0 | 0 | 0 | 108.2 | A145 F198 L218 M223 | A145-I254 HydrophobicContact CB-CG2 3.98Å; A145-I254 WeakPolarHBondContact O-CD1 3.37Å; F198-I254 HydrophobicContact CE1-CG2 4.36Å; L218-I254 HydrophobicContact CB-CD1 4.37Å; L218-I254 HydrophobicContact CD2-CD1 4.09Å; L218-I254 HydrophobicContact CD2-CG1 4.09Å; M223-I254 HydrophobicContact CB-CG1 3.97Å |
| 255 | P | 90.4 | Very high | 87.3 | Confident | 40 Ų | 40 | 84.8 Ų | 84.8 | 26% | 0.26 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 143.8 | 177.7 | -22.2 | 34.1 | 0 | 0 | 0 | 109.9 | R197 F198 S253 | R197-P255 HydrophobicContact CG-CB 3.94Å; R197-P255 PolarHBondContact NE-O 3.12Å; R197-P255 PolarHBondContact NH2-O 3.04Å; R197-P255 WeakPolarHBondContact O-CG 3.4Å; F198-P255 HydrophobicContact CD1-CG 4.23Å; F198-P255 HydrophobicContact CE1-CG 4.44Å; S253-P255 WeakPolarHBondContact O-CD 3.49Å; S253-P255 VanDerWaalsContact O-N 3.15Å |
| 256 | R | 87.8 | Confident | 86.7 | Confident | 217 Ų | 217 | 86.6 Ų | 86.6 | 82% | 0.819 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -68 | 152.3 | 176.8 | -70.7 | -175.6 | 179.6 | 175.6 | 0.2 | 110.8 | R197 R258 | R197-R256 PolarHBondContact NE-O 2.68Å; R256-R258 PolarHBondContact O-N 3.33Å |
| 257 | P | 84.2 | Confident | 86.1 | Confident | 49 Ų | 49 | 87.7 Ų | 87.7 | 32% | 0.318 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 137.5 | 169.4 | 25.4 | -32.3 | 0 | 0 | 0 | 109.1 | M259 | P257-M259 PolarHBondContact O-N 3.49Š|
| 258 | R | 73.4 | Confident | 85.5 | Confident | 96 Ų | 96 | 89.7 Ų | 89.7 | 36% | 0.362 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 124.8 | 174.4 | -70.1 | -170.7 | 175.4 | -146.4 | -6.9 | 108.8 | R256 D262 D266 | R256-R258 PolarHBondContact O-N 3.33Å; R258-D262 WeakPolarHBondContact CA-OD2 3.45Å; R258-D266 IonicContact CZ-OD2 3.55Å; R258-D266 IonicContact NH1-OD2 2.69Å; R258-D266 PolarHBondContact NH1-OD2 3.05Å; R258-D266 IonicContact NH2-OD2 3.88Å |
| 259 | M | 78.1 | Confident | 85 | Confident | 123 Ų | 123 | 87.5 Ų | 87.5 | 61% | 0.606 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -83.6 | 159.2 | 172.6 | -65.7 | -176 | -71.2 | 0 | 0 | 110 | P257 F261 D262 E263 | P257-M259 PolarHBondContact O-N 3.49Å; M259-F261 PolarHBondContact O-N 3.41Å; M259-F261 VanDerWaalsContact O-N 3.11Å; M259-D262 PolarHBondContact N-OD2 3.05Å; M259-D262 WeakPolarHBondContact O-CA 3.45Å; M259-D262 WeakPolarHBondContact O-CB 3.45Å; M259-D262 PolarHBondContact O-N 3.39Å; M259-E263 PolarHBondContact O-N 2.85Å |
| 260 | I | 77.8 | Confident | 84.4 | Confident | 135 Ų | 135 | 88.1 Ų | 88.1 | 69% | 0.692 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -54.2 | -33.2 | 174 | -59.5 | 169.7 | 0 | 0 | 0 | 110.7 | E263 M264 | I260-E263 PolarHBondContact O-N 3.49Å; I260-M264 HydrophobicContact CG2-CE 4.49Å; I260-M264 PolarHBondContact O-N 3.07Å; I260-M264 VanDerWaalsContact O-N 3.1Å |
| 261 | F | 78.1 | Confident | 83.8 | Confident | 134 Ų | 134 | 90 Ų | 90 | 59% | 0.588 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.7 | -38.7 | 174.1 | -173.3 | -101 | 0 | 0 | 0 | 113 | M259 E263 M264 V265 | M259-F261 PolarHBondContact O-N 3.41Å; M259-F261 VanDerWaalsContact O-N 3.11Å; F261-E263 VanDerWaalsContact C-N 3.31Å; F261-E263 PolarHBondContact O-N 3.22Å; F261-M264 HydrophobicContact CB-CE 4.43Å; F261-M264 HydrophobicContact CD2-CE 4Å; F261-M264 PolarHBondContact O-N 3.03Å; F261-V265 HydrophobicContact CD1-CG2 3.94Å; F261-V265 HydrophobicContact CE1-CG2 3.54Å; F261-V265 HydrophobicContact CE2-CG2 4.41Å; F261-V265 HydrophobicContact CZ-CG2 3.8Å; F261-V265 VanDerWaalsContact O-CG2 3.31Å; F261-V265 WeakPolarHBondContact O-CG2 3.49Å; F261-V265 PolarHBondContact O-N 3.35Å |
| 262 | D | 77.1 | Confident | 83.1 | Confident | 55 Ų | 55 | 85.8 Ų | 85.8 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 177.8 | -57.5 | -30.8 | 0 | 0 | 0 | 110.9 | R258 M259 V265 D266 | R258-D262 WeakPolarHBondContact CA-OD2 3.45Å; M259-D262 PolarHBondContact N-OD2 3.05Å; M259-D262 WeakPolarHBondContact O-CA 3.45Å; M259-D262 WeakPolarHBondContact O-CB 3.45Å; M259-D262 PolarHBondContact O-N 3.39Å; D262-V265 PolarHBondContact O-N 3.46Å; D262-D266 WeakPolarHBondContact O-CB 3.41Å; D262-D266 PolarHBondContact O-N 3.26Å |
| 263 | E | 77.4 | Confident | 82.7 | Confident | 91 Ų | 91 | 87.5 Ų | 87.5 | 43% | 0.425 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 175.1 | -65.9 | 179.7 | -179.7 | 0 | 0 | 112.1 | M259 I260 F261 D266 A267 | M259-E263 PolarHBondContact O-N 2.85Å; I260-E263 PolarHBondContact O-N 3.49Å; F261-E263 VanDerWaalsContact C-N 3.31Å; F261-E263 PolarHBondContact O-N 3.22Å; E263-D266 PolarHBondContact O-N 2.94Å; E263-A267 WeakPolarHBondContact O-CB 3.41Å; E263-A267 PolarHBondContact O-N 3.01Å |
| 264 | M | 81.7 | Confident | 82.4 | Confident | 113 Ų | 113 | 87.8 Ų | 87.8 | 56% | 0.557 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.1 | -40 | 173.8 | -71 | -170.2 | -67.2 | 0 | 0 | 112 | I260 F261 A267 L268 | I260-M264 HydrophobicContact CG2-CE 4.49Å; I260-M264 PolarHBondContact O-N 3.07Å; I260-M264 VanDerWaalsContact O-N 3.1Å; F261-M264 HydrophobicContact CB-CE 4.43Å; F261-M264 HydrophobicContact CD2-CE 4Å; F261-M264 PolarHBondContact O-N 3.03Å; M264-A267 PolarHBondContact O-N 3.21Å; M264-L268 WeakPolarHBondContact O-CB 3.46Å; M264-L268 PolarHBondContact O-N 3.22Å |
| 265 | V | 82.8 | Confident | 81.9 | Confident | 55 Ų | 55 | 88.7 Ų | 88.7 | 33% | 0.333 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 176.2 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | F261 D262 A267 L268 V269 | F261-V265 HydrophobicContact CD1-CG2 3.94Å; F261-V265 HydrophobicContact CE1-CG2 3.54Å; F261-V265 HydrophobicContact CE2-CG2 4.41Å; F261-V265 HydrophobicContact CZ-CG2 3.8Å; F261-V265 VanDerWaalsContact O-CG2 3.31Å; F261-V265 WeakPolarHBondContact O-CG2 3.49Å; F261-V265 PolarHBondContact O-N 3.35Å; D262-V265 PolarHBondContact O-N 3.46Å; V265-A267 VanDerWaalsContact C-N 3.33Å; V265-A267 PolarHBondContact O-N 2.88Å; V265-L268 PolarHBondContact O-N 3.39Å; V265-V269 HydrophobicContact CG1-CG2 4.23Å; V265-V269 WeakPolarHBondContact O-CB 3.41Å; V265-V269 VanDerWaalsContact O-CG2 3.26Å; V265-V269 WeakPolarHBondContact O-CG2 3.27Å; V265-V269 PolarHBondContact O-N 2.92Å |
| 266 | D | 81 | Confident | 81.6 | Confident | 78 Ų | 78 | 90.1 Ų | 90.1 | 42% | 0.417 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 176.2 | -81.4 | -7.9 | 0 | 0 | 0 | 111.3 | R258 D262 E263 V269 G270 | R258-D266 IonicContact CZ-OD2 3.55Å; R258-D266 IonicContact NH1-OD2 2.69Å; R258-D266 PolarHBondContact NH1-OD2 3.05Å; R258-D266 IonicContact NH2-OD2 3.88Å; D262-D266 WeakPolarHBondContact O-CB 3.41Å; D262-D266 PolarHBondContact O-N 3.26Å; E263-D266 PolarHBondContact O-N 2.94Å; D266-V269 PolarHBondContact O-N 3.28Å; D266-G270 PolarHBondContact O-N 2.91Å |
| 267 | A | 83.2 | Confident | 81.4 | Confident | 68 Ų | 68 | 85.6 Ų | 85.6 | 56% | 0.562 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E263 M264 V265 G270 F271 | E263-A267 WeakPolarHBondContact O-CB 3.41Å; E263-A267 PolarHBondContact O-N 3.01Å; M264-A267 PolarHBondContact O-N 3.21Å; V265-A267 VanDerWaalsContact C-N 3.33Å; V265-A267 PolarHBondContact O-N 2.88Å; A267-G270 PolarHBondContact O-N 2.63Å; A267-F271 WeakPolarHBondContact O-CB 3.16Å; A267-F271 PolarHBondContact O-N 3.36Å |
| 268 | L | 83.2 | Confident | 81.4 | Confident | 113 Ų | 113 | 90.3 Ų | 90.3 | 59% | 0.592 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.8 | -41.7 | 176.8 | -172.8 | 71.9 | 0 | 0 | 0 | 111.7 | M264 V265 T272 | M264-L268 WeakPolarHBondContact O-CB 3.46Å; M264-L268 PolarHBondContact O-N 3.22Å; V265-L268 PolarHBondContact O-N 3.39Å; L268-T272 WeakPolarHBondContact O-CB 3.47Å; L268-T272 PolarHBondContact O-N 3.1Å; L268-T272 PolarHBondContact O-OG1 2.83Å |
| 269 | V | 84.7 | Confident | 81.9 | Confident | 80 Ų | 80 | 90.7 Ų | 90.7 | 49% | 0.485 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | V265 D266 T272 V273 | V265-V269 HydrophobicContact CG1-CG2 4.23Å; V265-V269 WeakPolarHBondContact O-CB 3.41Å; V265-V269 VanDerWaalsContact O-CG2 3.26Å; V265-V269 WeakPolarHBondContact O-CG2 3.27Å; V265-V269 PolarHBondContact O-N 2.92Å; D266-V269 PolarHBondContact O-N 3.28Å; V269-T272 WeakPolarHBondContact O-CB 3.2Å; V269-T272 PolarHBondContact O-N 3.25Å; V269-T272 VanDerWaalsContact O-N 3.17Å; V269-V273 HydrophobicContact CG1-CG2 4.33Å; V269-V273 WeakPolarHBondContact O-CG2 3.3Å; V269-V273 PolarHBondContact O-N 3.02Å |
| 270 | G | 83.4 | Confident | 82.1 | Confident | 29 Ų | 29 | 86.1 Ų | 86.1 | 30% | 0.299 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56 | -52.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D266 A267 T272 V273 D274 | D266-G270 PolarHBondContact O-N 2.91Å; A267-G270 PolarHBondContact O-N 2.63Å; G270-T272 VanDerWaalsContact C-N 3.28Å; G270-T272 PolarHBondContact O-N 2.71Å; G270-V273 PolarHBondContact O-N 2.83Å; G270-V273 VanDerWaalsContact O-N 3.13Å; G270-D274 WeakPolarHBondContact O-CB 3.46Å; G270-D274 PolarHBondContact O-N 2.96Å |
| 271 | F | 83.6 | Confident | 82.3 | Confident | 128 Ų | 128 | 86.7 Ų | 86.7 | 56% | 0.561 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57 | -41.2 | 175.1 | -178.7 | -104.7 | 0 | 0 | 0 | 112.6 | A267 D274 L275 | A267-F271 WeakPolarHBondContact O-CB 3.16Å; A267-F271 PolarHBondContact O-N 3.36Å; F271-D274 PolarHBondContact O-N 2.91Å; F271-L275 HydrophobicContact CD1-CD1 3.82Å; F271-L275 HydrophobicContact CD1-CG 4.39Å; F271-L275 HydrophobicContact CE1-CD1 3.31Å; F271-L275 HydrophobicContact CE1-CG 4.06Å; F271-L275 HydrophobicContact CE2-CD1 4.45Å; F271-L275 HydrophobicContact CE2-CG 4.39Å; F271-L275 HydrophobicContact CZ-CD1 3.68Å; F271-L275 HydrophobicContact CZ-CD2 4.28Å; F271-L275 HydrophobicContact CZ-CG 4.05Å; F271-L275 WeakPolarHBondContact O-CB 3.44Å; F271-L275 VanDerWaalsContact O-CG 3.3Å; F271-L275 WeakPolarHBondContact O-CG 3.22Å; F271-L275 PolarHBondContact O-N 2.94Å |
| 272 | T | 81.4 | Confident | 82.5 | Confident | 54 Ų | 54 | 85.2 Ų | 85.2 | 33% | 0.331 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 178 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | L268 V269 G270 Q276 I284 | L268-T272 WeakPolarHBondContact O-CB 3.47Å; L268-T272 PolarHBondContact O-N 3.1Å; L268-T272 PolarHBondContact O-OG1 2.83Å; V269-T272 WeakPolarHBondContact O-CB 3.2Å; V269-T272 PolarHBondContact O-N 3.25Å; V269-T272 VanDerWaalsContact O-N 3.17Å; G270-T272 VanDerWaalsContact C-N 3.28Å; G270-T272 PolarHBondContact O-N 2.71Å; T272-Q276 WeakPolarHBondContact O-CB 3.31Å; T272-Q276 PolarHBondContact O-N 3.06Å; T272-I284 HydrophobicContact CG2-CG2 3.88Å |
| 273 | V | 83.7 | Confident | 82.7 | Confident | 61 Ų | 61 | 86.2 Ų | 86.2 | 37% | 0.37 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 176.8 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | V269 G270 Q276 N277 | V269-V273 HydrophobicContact CG1-CG2 4.33Å; V269-V273 WeakPolarHBondContact O-CG2 3.3Å; V269-V273 PolarHBondContact O-N 3.02Å; G270-V273 PolarHBondContact O-N 2.83Å; G270-V273 VanDerWaalsContact O-N 3.13Å; V273-Q276 CarbonylContact O-C 3.36Å; V273-Q276 WeakPolarHBondContact O-CA 3.36Å; V273-Q276 VanDerWaalsContact O-CB 3.3Å; V273-Q276 WeakPolarHBondContact O-CB 3.39Å; V273-Q276 PolarHBondContact O-N 2.98Å; V273-N277 VanDerWaalsContact O-CG 3.28Å; V273-N277 PolarHBondContact O-N 2.84Å; V273-N277 PolarHBondContact O-ND2 2.87Å |
| 274 | D | 85 | Confident | 82.9 | Confident | 104 Ų | 104 | 82.9 Ų | 82.9 | 56% | 0.556 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.3 | -48.2 | 176.8 | -72.1 | -21.1 | 0 | 0 | 0 | 110.8 | G270 F271 Q276 N277 E278 | G270-D274 WeakPolarHBondContact O-CB 3.46Å; G270-D274 PolarHBondContact O-N 2.96Å; F271-D274 PolarHBondContact O-N 2.91Å; D274-Q276 PolarHBondContact O-N 2.76Å; D274-N277 PolarHBondContact O-N 3Å; D274-E278 PolarHBondContact O-N 2.93Å |
| 275 | L | 82.3 | Confident | 83 | Confident | 39 Ų | 39 | 83.5 Ų | 83.5 | 20% | 0.204 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -54.4 | -39.4 | 170.1 | -73.8 | 178.9 | 0 | 0 | 0 | 110.8 | F271 N277 E278 F279 I284 | F271-L275 HydrophobicContact CD1-CD1 3.82Å; F271-L275 HydrophobicContact CD1-CG 4.39Å; F271-L275 HydrophobicContact CE1-CD1 3.31Å; F271-L275 HydrophobicContact CE1-CG 4.06Å; F271-L275 HydrophobicContact CE2-CD1 4.45Å; F271-L275 HydrophobicContact CE2-CG 4.39Å; F271-L275 HydrophobicContact CZ-CD1 3.68Å; F271-L275 HydrophobicContact CZ-CD2 4.28Å; F271-L275 HydrophobicContact CZ-CG 4.05Å; F271-L275 WeakPolarHBondContact O-CB 3.44Å; F271-L275 VanDerWaalsContact O-CG 3.3Å; F271-L275 WeakPolarHBondContact O-CG 3.22Å; F271-L275 PolarHBondContact O-N 2.94Å; L275-N277 VanDerWaalsContact C-N 3.35Å; L275-N277 PolarHBondContact O-N 3.37Å; L275-E278 PolarHBondContact O-N 3.05Å; L275-F279 HydrophobicContact CB-CD2 4.5Å; L275-F279 HydrophobicContact CD2-CD2 3.85Å; L275-F279 HydrophobicContact CD2-CE2 3.69Å; L275-F279 PolarHBondContact O-N 3.42Å; L275-I284 HydrophobicContact CB-CD1 3.62Å; L275-I284 HydrophobicContact CB-CG1 4.01Å; L275-I284 VanDerWaalsContact O-CD1 3.3Å; L275-I284 WeakPolarHBondContact O-CD1 3.49Å |
| 276 | Q | 83.6 | Confident | 83.2 | Confident | 70 Ų | 70 | 85.9 Ų | 85.9 | 33% | 0.327 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.5 | -36.1 | -176.7 | -164.8 | -168.3 | -77.7 | 0 | 0 | 112.7 | T272 V273 D274 E278 G280 K281 I284 | T272-Q276 WeakPolarHBondContact O-CB 3.31Å; T272-Q276 PolarHBondContact O-N 3.06Å; V273-Q276 CarbonylContact O-C 3.36Å; V273-Q276 WeakPolarHBondContact O-CA 3.36Å; V273-Q276 VanDerWaalsContact O-CB 3.3Å; V273-Q276 WeakPolarHBondContact O-CB 3.39Å; V273-Q276 PolarHBondContact O-N 2.98Å; D274-Q276 PolarHBondContact O-N 2.76Å; Q276-E278 VanDerWaalsContact C-N 3.34Å; Q276-G280 WeakPolarHBondContact O-CA 3.4Å; Q276-G280 PolarHBondContact O-N 2.63Å; Q276-K281 HydrophobicContact CG-CG 3.82Å; Q276-I284 HydrophobicContact CB-CD1 3.5Å; Q276-I284 HydrophobicContact CG-CD1 4.07Å |
| 277 | N | 84.3 | Confident | 83.5 | Confident | 122 Ų | 122 | 86.3 Ų | 86.3 | 65% | 0.652 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -71.3 | -33.8 | 175.1 | -65.9 | -24.6 | 0 | 0 | 0 | 111.1 | V273 D274 L275 | V273-N277 VanDerWaalsContact O-CG 3.28Å; V273-N277 PolarHBondContact O-N 2.84Å; V273-N277 PolarHBondContact O-ND2 2.87Å; D274-N277 PolarHBondContact O-N 3Å; L275-N277 VanDerWaalsContact C-N 3.35Å; L275-N277 PolarHBondContact O-N 3.37Å |
| 278 | E | 84.8 | Confident | 83.6 | Confident | 148 Ų | 148 | 85 Ų | 85 | 69% | 0.692 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -81.9 | -47 | -178.4 | -169.2 | 172.6 | -171.1 | 0 | 0 | 113.7 | D274 L275 Q276 | D274-E278 PolarHBondContact O-N 2.93Å; L275-E278 PolarHBondContact O-N 3.05Å; Q276-E278 VanDerWaalsContact C-N 3.34Å |
| 279 | F | 83.1 | Confident | 83.8 | Confident | 104 Ų | 104 | 82.9 Ų | 82.9 | 46% | 0.456 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -106.8 | -9 | -171.9 | -63 | -78.2 | 0 | 0 | 0 | 114.5 | L275 L283 | L275-F279 HydrophobicContact CB-CD2 4.5Å; L275-F279 HydrophobicContact CD2-CD2 3.85Å; L275-F279 HydrophobicContact CD2-CE2 3.69Å; L275-F279 PolarHBondContact O-N 3.42Å; F279-L283 HydrophobicContact CB-CB 4.35Å; F279-L283 HydrophobicContact CB-CD2 3.82Å; F279-L283 HydrophobicContact CD1-CD2 4.28Å; F279-L283 HydrophobicContact CG-CD2 4.11Å |
| 280 | G | 81.7 | Confident | 84.1 | Confident | 27 Ų | 27 | 83.3 Ų | 83.3 | 28% | 0.278 | 45% | 0.452 | S | S | . | . | trans | 81.4 | 155.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q276 P282 L283 | Q276-G280 WeakPolarHBondContact O-CA 3.4Å; Q276-G280 PolarHBondContact O-N 2.63Å; G280-P282 VanDerWaalsContact C-CD 3.42Å; G280-L283 PolarHBondContact O-N 3.06Å | ||
| 281 | K | 81.9 | Confident | 84.4 | Confident | 147 Ų | 147 | 84.4 Ų | 84.4 | 64% | 0.639 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -49.2 | -45.9 | -176.7 | -66.5 | -177.7 | 179.7 | -177.6 | 0 | 116.2 | Q276 L283 L285 | Q276-K281 HydrophobicContact CG-CG 3.82Å; K281-L283 PolarHBondContact O-N 3.1Å; K281-L285 PolarHBondContact O-N 3.35Å |
| 282 | P | 83.4 | Confident | 84.7 | Confident | 103 Ų | 103 | 83.8 Ų | 83.8 | 67% | 0.669 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -69.5 | -34.6 | -172.3 | 25.9 | -33.3 | 0 | 0 | 0 | 113 | G280 I284 L286 | G280-P282 VanDerWaalsContact C-CD 3.42Å; P282-I284 VanDerWaalsContact C-N 3.34Å; P282-I284 PolarHBondContact O-N 3.3Å; P282-L286 PolarHBondContact O-N 3.36Å; P282-L286 VanDerWaalsContact O-N 3.13Å |
| 283 | L | 81.2 | Confident | 85.2 | Confident | 76 Ų | 76 | 87.7 Ų | 87.7 | 40% | 0.398 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.2 | -32.7 | -175.9 | -164.3 | 125.3 | 0 | 0 | 0 | 112 | F279 G280 K281 L286 L287 | F279-L283 HydrophobicContact CB-CB 4.35Å; F279-L283 HydrophobicContact CB-CD2 3.82Å; F279-L283 HydrophobicContact CD1-CD2 4.28Å; F279-L283 HydrophobicContact CG-CD2 4.11Å; G280-L283 PolarHBondContact O-N 3.06Å; K281-L283 PolarHBondContact O-N 3.1Å; L283-L286 WeakPolarHBondContact O-CB 3.46Å; L283-L286 PolarHBondContact O-N 2.64Å; L283-L287 HydrophobicContact CD2-CD1 3.65Å; L283-L287 HydrophobicContact CD2-CG 4.29Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 3.22Å |
| 284 | I | 81.2 | Confident | 85.6 | Confident | 22 Ų | 22 | 88.7 Ų | 88.7 | 11% | 0.113 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -79 | -36.2 | 178.7 | -72.3 | 156.7 | 0 | 0 | 0 | 112.6 | T272 L275 Q276 P282 L286 L287 G288 | T272-I284 HydrophobicContact CG2-CG2 3.88Å; L275-I284 HydrophobicContact CB-CD1 3.62Å; L275-I284 HydrophobicContact CB-CG1 4.01Å; L275-I284 VanDerWaalsContact O-CD1 3.3Å; L275-I284 WeakPolarHBondContact O-CD1 3.49Å; Q276-I284 HydrophobicContact CB-CD1 3.5Å; Q276-I284 HydrophobicContact CG-CD1 4.07Å; P282-I284 VanDerWaalsContact C-N 3.34Å; P282-I284 PolarHBondContact O-N 3.3Å; I284-L286 PolarHBondContact O-N 3.17Å; I284-L287 PolarHBondContact O-N 3.15Å; I284-G288 PolarHBondContact O-N 3.26Å |
| 285 | L | 83.4 | Confident | 86 | Confident | 126 Ų | 126 | 86.3 Ų | 86.3 | 66% | 0.66 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57.7 | -42.1 | 169.1 | -94.6 | 170.1 | 0 | 0 | 0 | 110 | K281 G288 V289 | K281-L285 PolarHBondContact O-N 3.35Å; L285-G288 PolarHBondContact O-N 3.49Å; L285-V289 WeakPolarHBondContact O-CB 2.96Å; L285-V289 WeakPolarHBondContact O-CG2 3.48Å; L285-V289 PolarHBondContact O-N 3.41Å |
| 286 | L | 87.6 | Confident | 86.5 | Confident | 105 Ų | 105 | 90.3 Ų | 90.3 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 175.1 | -176.6 | 68.5 | 0 | 0 | 0 | 112.1 | P282 L283 I284 G288 V289 I290 | P282-L286 PolarHBondContact O-N 3.36Å; P282-L286 VanDerWaalsContact O-N 3.13Å; L283-L286 WeakPolarHBondContact O-CB 3.46Å; L283-L286 PolarHBondContact O-N 2.64Å; I284-L286 PolarHBondContact O-N 3.17Å; L286-G288 VanDerWaalsContact C-N 3.32Å; L286-G288 PolarHBondContact O-N 3.41Å; L286-V289 PolarHBondContact O-N 3.31Å; L286-I290 HydrophobicContact CD1-CD1 4.34Å; L286-I290 HydrophobicContact CG-CD1 3.97Å; L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.32Å; L286-I290 PolarHBondContact O-N 3.5Å |
| 287 | L | 86.4 | Confident | 87 | Confident | 87 Ų | 87 | 92.1 Ų | 92.1 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 177.5 | -74.8 | 169.7 | 0 | 0 | 0 | 112.2 | L283 I284 I290 A291 | L283-L287 HydrophobicContact CD2-CD1 3.65Å; L283-L287 HydrophobicContact CD2-CG 4.29Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 3.22Å; I284-L287 PolarHBondContact O-N 3.15Å; L287-I290 PolarHBondContact O-N 3Å; L287-A291 WeakPolarHBondContact O-CB 3.5Å; L287-A291 PolarHBondContact O-N 3.45Å |
| 288 | G | 85.1 | Confident | 87.5 | Confident | 41 Ų | 41 | 92.7 Ų | 92.7 | 42% | 0.423 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I284 L285 L286 A291 L292 | I284-G288 PolarHBondContact O-N 3.26Å; L285-G288 PolarHBondContact O-N 3.49Å; L286-G288 VanDerWaalsContact C-N 3.32Å; L286-G288 PolarHBondContact O-N 3.41Å; G288-A291 PolarHBondContact O-N 3.08Å; G288-L292 WeakPolarHBondContact O-CB 3.37Å; G288-L292 PolarHBondContact O-N 3.06Å |
| 289 | V | 88.8 | Confident | 87.9 | Confident | 68 Ų | 68 | 89.3 Ų | 89.3 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 173.3 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | L285 L286 A291 L292 F293 | L285-V289 WeakPolarHBondContact O-CB 2.96Å; L285-V289 WeakPolarHBondContact O-CG2 3.48Å; L285-V289 PolarHBondContact O-N 3.41Å; L286-V289 PolarHBondContact O-N 3.31Å; V289-A291 VanDerWaalsContact C-N 3.35Å; V289-A291 PolarHBondContact O-N 2.89Å; V289-L292 PolarHBondContact O-N 3.42Å; V289-F293 HydrophobicContact CG1-CD2 3.63Å; V289-F293 HydrophobicContact CG1-CE2 3.63Å; V289-F293 VanDerWaalsContact O-CD2 3.27Å; V289-F293 WeakPolarHBondContact O-CD2 3.12Å; V289-F293 PolarHBondContact O-N 3.16Å |
| 290 | I | 90.2 | Very high | 88.4 | Confident | 88 Ų | 88 | 85.8 Ų | 85.8 | 45% | 0.451 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 177 | -68.1 | 165.9 | 0 | 0 | 0 | 110.3 | L286 L287 L292 F293 T294 | L286-I290 HydrophobicContact CD1-CD1 4.34Å; L286-I290 HydrophobicContact CG-CD1 3.97Å; L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.32Å; L286-I290 PolarHBondContact O-N 3.5Å; L287-I290 PolarHBondContact O-N 3Å; I290-L292 VanDerWaalsContact C-N 3.34Å; I290-L292 PolarHBondContact O-N 3.03Å; I290-F293 PolarHBondContact O-N 2.88Å; I290-T294 HydrophobicContact CG2-CG2 4.41Å; I290-T294 WeakPolarHBondContact O-CG2 3.44Å; I290-T294 PolarHBondContact O-N 2.91Å; I290-T294 PolarHBondContact O-OG1 3.27Å |
| 291 | A | 88.9 | Confident | 89 | Confident | 53 Ų | 53 | 89.4 Ų | 89.4 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L287 G288 V289 F293 T294 A295 | L287-A291 WeakPolarHBondContact O-CB 3.5Å; L287-A291 PolarHBondContact O-N 3.45Å; G288-A291 PolarHBondContact O-N 3.08Å; V289-A291 VanDerWaalsContact C-N 3.35Å; V289-A291 PolarHBondContact O-N 2.89Å; A291-F293 PolarHBondContact O-N 3.39Å; A291-T294 WeakPolarHBondContact CA-OG1 3.49Å; A291-T294 PolarHBondContact O-N 3.12Å; A291-T294 PolarHBondContact O-OG1 3.06Å; A291-A295 PolarHBondContact O-N 3.02Å |
| 292 | L | 90.1 | Very high | 89.5 | Confident | 114 Ų | 114 | 87 Ų | 87 | 60% | 0.597 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 178.3 | -159.4 | 157.8 | 0 | 0 | 0 | 111.6 | G288 V289 I290 T294 A295 M296 | G288-L292 WeakPolarHBondContact O-CB 3.37Å; G288-L292 PolarHBondContact O-N 3.06Å; V289-L292 PolarHBondContact O-N 3.42Å; I290-L292 VanDerWaalsContact C-N 3.34Å; I290-L292 PolarHBondContact O-N 3.03Å; L292-T294 PolarHBondContact O-N 2.73Å; L292-A295 PolarHBondContact O-N 3.08Å; L292-M296 HydrophobicContact CD2-CG 3.95Å; L292-M296 WeakPolarHBondContact O-CG 3.46Å; L292-M296 PolarHBondContact O-N 3.49Å |
| 293 | F | 93 | Very high | 89.9 | Confident | 136 Ų | 136 | 87.7 Ų | 87.7 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.2 | -43.1 | 174.3 | -88.2 | -75.7 | 0 | 0 | 0 | 112.2 | V289 I290 A291 A295 M296 I297 | V289-F293 HydrophobicContact CG1-CD2 3.63Å; V289-F293 HydrophobicContact CG1-CE2 3.63Å; V289-F293 VanDerWaalsContact O-CD2 3.27Å; V289-F293 WeakPolarHBondContact O-CD2 3.12Å; V289-F293 PolarHBondContact O-N 3.16Å; I290-F293 PolarHBondContact O-N 2.88Å; A291-F293 PolarHBondContact O-N 3.39Å; F293-A295 VanDerWaalsContact C-N 3.35Å; F293-A295 PolarHBondContact O-N 3.22Å; F293-M296 PolarHBondContact O-N 3Å; F293-I297 VanDerWaalsContact O-CG1 3.3Å; F293-I297 WeakPolarHBondContact O-CG1 3.12Å; F293-I297 PolarHBondContact O-N 3.16Å |
| 294 | T | 92.6 | Very high | 90.5 | Very high | 83 Ų | 83 | 88.6 Ų | 88.6 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 177.6 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | I290 A291 L292 I297 F298 | I290-T294 HydrophobicContact CG2-CG2 4.41Å; I290-T294 WeakPolarHBondContact O-CG2 3.44Å; I290-T294 PolarHBondContact O-N 2.91Å; I290-T294 PolarHBondContact O-OG1 3.27Å; A291-T294 WeakPolarHBondContact CA-OG1 3.49Å; A291-T294 PolarHBondContact O-N 3.12Å; A291-T294 PolarHBondContact O-OG1 3.06Å; L292-T294 PolarHBondContact O-N 2.73Å; T294-I297 PolarHBondContact O-N 2.99Å; T294-F298 WeakPolarHBondContact O-CB 3.31Å; T294-F298 PolarHBondContact O-N 3.08Å |
| 295 | A | 92.6 | Very high | 90.9 | Very high | 53 Ų | 53 | 91.2 Ų | 91.2 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A291 L292 F293 I297 F298 V299 | A291-A295 PolarHBondContact O-N 3.02Å; L292-A295 PolarHBondContact O-N 3.08Å; F293-A295 VanDerWaalsContact C-N 3.35Å; F293-A295 PolarHBondContact O-N 3.22Å; A295-I297 PolarHBondContact O-N 2.85Å; A295-F298 PolarHBondContact O-N 3.16Å; A295-V299 WeakPolarHBondContact O-CG2 3.24Å; A295-V299 PolarHBondContact O-N 2.67Å |
| 296 | M | 93.4 | Very high | 91.1 | Very high | 124 Ų | 124 | 87.2 Ų | 87.2 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 176.2 | -72.8 | -62 | -63.5 | 0 | 0 | 112.3 | L292 F293 F298 G300 | L292-M296 HydrophobicContact CD2-CG 3.95Å; L292-M296 WeakPolarHBondContact O-CG 3.46Å; L292-M296 PolarHBondContact O-N 3.49Å; F293-M296 PolarHBondContact O-N 3Å; M296-F298 VanDerWaalsContact C-N 3.35Å; M296-G300 PolarHBondContact O-N 3.35Å |
| 297 | I | 94.2 | Very high | 91.3 | Very high | 107 Ų | 107 | 90 Ų | 90 | 55% | 0.549 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 174.4 | -67.8 | 166.2 | 0 | 0 | 0 | 110.1 | F293 T294 A295 G300 L301 | F293-I297 VanDerWaalsContact O-CG1 3.3Å; F293-I297 WeakPolarHBondContact O-CG1 3.12Å; F293-I297 PolarHBondContact O-N 3.16Å; T294-I297 PolarHBondContact O-N 2.99Å; A295-I297 PolarHBondContact O-N 2.85Å; I297-G300 PolarHBondContact O-N 3.07Å; I297-L301 HydrophobicContact CG2-CD1 4.11Å; I297-L301 HydrophobicContact CG2-CG 4.43Å; I297-L301 WeakPolarHBondContact O-CG 3.28Å; I297-L301 PolarHBondContact O-N 3.17Å |
| 298 | F | 94.5 | Very high | 91.3 | Very high | 135 Ų | 135 | 95.1 Ų | 95.1 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -44.6 | 179.6 | -171.4 | -105.7 | 0 | 0 | 0 | 112.5 | T294 A295 M296 L301 I302 | T294-F298 WeakPolarHBondContact O-CB 3.31Å; T294-F298 PolarHBondContact O-N 3.08Å; A295-F298 PolarHBondContact O-N 3.16Å; M296-F298 VanDerWaalsContact C-N 3.35Å; F298-L301 PolarHBondContact O-N 2.6Å; F298-I302 HydrophobicContact CD1-CD1 3.76Å; F298-I302 HydrophobicContact CE1-CD1 3.39Å; F298-I302 HydrophobicContact CE1-CG1 4.38Å; F298-I302 HydrophobicContact CZ-CD1 3.95Å; F298-I302 WeakPolarHBondContact O-CG1 3.28Å; F298-I302 PolarHBondContact O-N 2.92Å |
| 299 | V | 93.5 | Very high | 91.3 | Very high | 76 Ų | 76 | 99.3 Ų | 99.3 | 46% | 0.461 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 174.1 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | A295 L301 I302 L303 | A295-V299 WeakPolarHBondContact O-CG2 3.24Å; A295-V299 PolarHBondContact O-N 2.67Å; V299-L301 VanDerWaalsContact C-N 3.32Å; V299-L301 PolarHBondContact O-N 3.47Å; V299-I302 PolarHBondContact O-N 2.86Å; V299-L303 HydrophobicContact CG1-CD1 4.2Å; V299-L303 HydrophobicContact CG1-CG 4.48Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 3.28Å |
| 300 | G | 93.8 | Very high | 90.9 | Very high | 31 Ų | 31 | 99.2 Ų | 99.2 | 32% | 0.32 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M296 I297 L303 V304 | M296-G300 PolarHBondContact O-N 3.35Å; I297-G300 PolarHBondContact O-N 3.07Å; G300-L303 PolarHBondContact O-N 3.13Å; G300-V304 VanDerWaalsContact O-CG2 3.31Å; G300-V304 WeakPolarHBondContact O-CG2 3.13Å; G300-V304 PolarHBondContact O-N 3.07Å |
| 301 | L | 93.9 | Very high | 90 | Very high | 102 Ų | 102 | 96.6 Ų | 96.6 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 176 | -72.4 | 172.8 | 0 | 0 | 0 | 112.2 | I297 F298 V299 L303 V304 V305 | I297-L301 HydrophobicContact CG2-CD1 4.11Å; I297-L301 HydrophobicContact CG2-CG 4.43Å; I297-L301 WeakPolarHBondContact O-CG 3.28Å; I297-L301 PolarHBondContact O-N 3.17Å; F298-L301 PolarHBondContact O-N 2.6Å; V299-L301 VanDerWaalsContact C-N 3.32Å; V299-L301 PolarHBondContact O-N 3.47Å; L301-L303 VanDerWaalsContact C-N 3.31Å; L301-L303 PolarHBondContact O-N 3.03Å; L301-V304 PolarHBondContact O-N 2.83Å; L301-V305 WeakPolarHBondContact O-CB 3.05Å; L301-V305 VanDerWaalsContact O-CG2 3.28Å; L301-V305 WeakPolarHBondContact O-CG2 3.48Å; L301-V305 PolarHBondContact O-N 3.39Å |
| 302 | I | 92.5 | Very high | 89.2 | Confident | 96 Ų | 96 | 96.7 Ų | 96.7 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 175.3 | -70.5 | 171.1 | 0 | 0 | 0 | 110.8 | F298 V299 V305 G306 | F298-I302 HydrophobicContact CD1-CD1 3.76Å; F298-I302 HydrophobicContact CE1-CD1 3.39Å; F298-I302 HydrophobicContact CE1-CG1 4.38Å; F298-I302 HydrophobicContact CZ-CD1 3.95Å; F298-I302 WeakPolarHBondContact O-CG1 3.28Å; F298-I302 PolarHBondContact O-N 2.92Å; V299-I302 PolarHBondContact O-N 2.86Å; I302-V305 PolarHBondContact O-N 3.38Å; I302-G306 PolarHBondContact O-N 3.07Å |
| 303 | L | 92.1 | Very high | 87.8 | Confident | 119 Ų | 119 | 99.5 Ų | 99.5 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.4 | -41.1 | 177.2 | -69.4 | 174.7 | 0 | 0 | 0 | 112.1 | V299 G300 L301 G306 F307 | V299-L303 HydrophobicContact CG1-CD1 4.2Å; V299-L303 HydrophobicContact CG1-CG 4.48Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 3.28Å; G300-L303 PolarHBondContact O-N 3.13Å; L301-L303 VanDerWaalsContact C-N 3.31Å; L301-L303 PolarHBondContact O-N 3.03Å; L303-G306 PolarHBondContact O-N 3.33Å; L303-F307 WeakPolarHBondContact O-CB 3.46Å; L303-F307 PolarHBondContact O-N 3.4Å |
| 304 | V | 91.8 | Very high | 86.2 | Confident | 95 Ų | 95 | 100.7 Ų | 100.7 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | 175.3 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | G300 L301 F307 W308 | G300-V304 VanDerWaalsContact O-CG2 3.31Å; G300-V304 WeakPolarHBondContact O-CG2 3.13Å; G300-V304 PolarHBondContact O-N 3.07Å; L301-V304 PolarHBondContact O-N 2.83Å; V304-F307 PolarHBondContact O-N 2.95Å; V304-W308 WeakPolarHBondContact O-CB 3.48Å; V304-W308 PolarHBondContact O-N 2.87Å |
| 305 | V | 90.8 | Very high | 84.5 | Confident | 77 Ų | 77 | 102.7 Ų | 102.7 | 47% | 0.467 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.8 | -45.3 | 176.7 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | L301 I302 F307 W308 F309 | L301-V305 WeakPolarHBondContact O-CB 3.05Å; L301-V305 VanDerWaalsContact O-CG2 3.28Å; L301-V305 WeakPolarHBondContact O-CG2 3.48Å; L301-V305 PolarHBondContact O-N 3.39Å; I302-V305 PolarHBondContact O-N 3.38Å; V305-F307 VanDerWaalsContact C-N 3.34Å; V305-F307 PolarHBondContact O-N 3.48Å; V305-W308 PolarHBondContact O-N 2.91Å; V305-F309 HydrophobicContact CG1-CD2 3.61Å; V305-F309 HydrophobicContact CG1-CE2 3.57Å; V305-F309 VanDerWaalsContact O-CD2 3.27Å; V305-F309 WeakPolarHBondContact O-CD2 3.47Å; V305-F309 PolarHBondContact O-N 3.39Å |
| 306 | G | 88.4 | Confident | 82.5 | Confident | 42 Ų | 42 | 108 Ų | 108 | 43% | 0.433 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.8 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I302 L303 F309 A310 | I302-G306 PolarHBondContact O-N 3.07Å; L303-G306 PolarHBondContact O-N 3.33Å; G306-F309 PolarHBondContact O-N 3.35Å; G306-A310 WeakPolarHBondContact O-CB 3.44Å; G306-A310 PolarHBondContact O-N 2.93Å |
| 307 | F | 90 | Very high | 80.4 | Confident | 162 Ų | 162 | 109.8 Ų | 109.8 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.9 | -39.3 | 175 | -169.7 | -93.9 | 0 | 0 | 0 | 112.1 | L303 V304 V305 A310 G311 | L303-F307 WeakPolarHBondContact O-CB 3.46Å; L303-F307 PolarHBondContact O-N 3.4Å; V304-F307 PolarHBondContact O-N 2.95Å; V305-F307 VanDerWaalsContact C-N 3.34Å; V305-F307 PolarHBondContact O-N 3.48Å; F307-A310 PolarHBondContact O-N 3.21Å; F307-G311 PolarHBondContact O-N 3.4Å |
| 308 | W | 87 | Confident | 78.2 | Confident | 195 Ų | 195 | 107.4 Ų | 107.4 | 74% | 0.739 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.7 | -41.8 | 177 | -146.4 | 78.3 | 0 | 0 | 0 | 111.6 | V304 V305 S312 | V304-W308 WeakPolarHBondContact O-CB 3.48Å; V304-W308 PolarHBondContact O-N 2.87Å; V305-W308 PolarHBondContact O-N 2.91Å; W308-S312 WeakPolarHBondContact O-CB 3.18Å; W308-S312 PolarHBondContact O-N 3.41Å |
| 309 | F | 84.6 | Confident | 75.8 | Confident | 130 Ų | 130 | 110.5 Ų | 110.5 | 57% | 0.57 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.7 | -41.8 | 173.3 | -83.9 | -70.1 | 0 | 0 | 0 | 112.7 | V305 G306 S312 F313 | V305-F309 HydrophobicContact CG1-CD2 3.61Å; V305-F309 HydrophobicContact CG1-CE2 3.57Å; V305-F309 VanDerWaalsContact O-CD2 3.27Å; V305-F309 WeakPolarHBondContact O-CD2 3.47Å; V305-F309 PolarHBondContact O-N 3.39Å; G306-F309 PolarHBondContact O-N 3.35Å; F309-S312 PolarHBondContact O-N 3.12Å; F309-F313 WeakPolarHBondContact O-CD2 3.48Å |
| 310 | A | 80.9 | Confident | 73.2 | Confident | 65 Ų | 65 | 115.6 Ų | 115.6 | 54% | 0.537 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.6 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | G306 F307 S312 F313 | G306-A310 WeakPolarHBondContact O-CB 3.44Å; G306-A310 PolarHBondContact O-N 2.93Å; F307-A310 PolarHBondContact O-N 3.21Å; A310-S312 VanDerWaalsContact C-N 3.34Å; A310-S312 PolarHBondContact O-N 3.42Å; A310-F313 PolarHBondContact O-N 3.32Å |
| 311 | G | 72.4 | Confident | 70.5 | Confident | 33 Ų | 33 | 122.7 Ų | 122.7 | 34% | 0.34 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.9 | -25.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | F307 F313 E314 | F307-G311 PolarHBondContact O-N 3.4Å; G311-F313 VanDerWaalsContact C-N 3.26Å; G311-F313 PolarHBondContact O-N 3.27Å; G311-E314 PolarHBondContact O-N 3.39Å |
| 312 | S | 72.1 | Confident | 68 | Low | 55 Ų | 55 | 124 Ų | 124 | 39% | 0.385 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.8 | -23.5 | 176.1 | -169.4 | 0 | 0 | 0 | 0 | 113.1 | W308 F309 A310 E314 | W308-S312 WeakPolarHBondContact O-CB 3.18Å; W308-S312 PolarHBondContact O-N 3.41Å; F309-S312 PolarHBondContact O-N 3.12Å; A310-S312 VanDerWaalsContact C-N 3.34Å; A310-S312 PolarHBondContact O-N 3.42Å; S312-E314 VanDerWaalsContact C-N 3.32Å |
| 313 | F | 59.6 | Low | 65.4 | Low | 174 Ų | 174 | 124.9 Ų | 124.9 | 76% | 0.763 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -24.2 | 175.1 | -87.4 | -79.7 | 0 | 0 | 0 | 113 | F309 A310 G311 | F309-F313 WeakPolarHBondContact O-CD2 3.48Å; A310-F313 PolarHBondContact O-N 3.32Å; G311-F313 VanDerWaalsContact C-N 3.26Å; G311-F313 PolarHBondContact O-N 3.27Å |
| 314 | E | 60.4 | Low | 62.7 | Low | 160 Ų | 160 | 126.3 Ų | 126.3 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -16.2 | -176 | -161.3 | 148 | -175.4 | 0 | 0 | 113.4 | G311 S312 | G311-E314 PolarHBondContact O-N 3.39Å; S312-E314 VanDerWaalsContact C-N 3.32Å |
| 315 | N | 55.4 | Low | 60 | Low | 126 Ų | 126 | 128.5 Ų | 128.5 | 67% | 0.674 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -1.8 | -177 | -82.8 | -33.1 | 0 | 0 | 0 | 115.3 | ||
| 316 | H | 50.8 | Low | 57.2 | Low | 163 Ų | 163 | 133.6 Ų | 133.6 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -84.6 | -15.5 | 178 | -92.5 | -66.7 | 0 | 0 | 0 | 114.8 | ||
| 317 | D | 50.5 | Low | 54.6 | Low | 162 Ų | 162 | 137 Ų | 137 | 87% | 0.866 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -101.9 | -0.5 | -179.3 | -73.5 | -25.9 | 0 | 0 | 0 | 114.6 | ||
| 318 | A | 48.1 | Very low | 51.9 | Low | 57 Ų | 57 | 134.1 Ų | 134.1 | 47% | 0.471 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -140.1 | 85.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 319 | K | 43.5 | Very low | 49.1 | Very low | 200 Ų | 200 | 132.7 Ų | 132.7 | 87% | 0.87 | 71% | 0.71 | S | S | * | * | trans | 163.5 | 78.8 | 132.8 | -85.1 | 156.9 | -167.7 | 177.7 | 0 | 111.3 | ||||
| 320 | E | 39.6 | Very low | 46.6 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | trans | -91.4 | 86.8 | 150.9 | -159.5 | 178.4 | -157.1 | 0 | 0 | 107.6 | ||||
| 321 | H | 37.2 | Very low | 44.2 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | trans | -139.8 | 84.9 | 165.2 | -88.6 | -58.5 | 0 | 0 | 0 | 109 | ||||
| 322 | V | 41.5 | Very low | 42.2 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 123.7 | 166.8 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | ||
| 323 | P | 36.1 | Very low | 40.4 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 132 | 174 | 10.5 | 3.8 | 0 | 0 | 0 | 111.5 | ||
| 324 | L | 35.2 | Very low | 39.1 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 129.4 | 169.5 | -81.6 | 82.6 | 0 | 0 | 0 | 112.4 | ||
| 325 | T | 36.7 | Very low | 38 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | trans | -126.4 | 117.5 | 140.9 | -58.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 326 | K | 32.1 | Very low | 36.8 | Very low | 185 Ų | 185 | 146 Ų | 146 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -65.1 | 135.7 | 178 | -68.6 | 167.8 | 172.2 | 174.9 | 0 | 110.7 | ||||
| 327 | S | 33.1 | Very low | 36.2 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -157.5 | 122.8 | 143.3 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 328 | S | 32.1 | Very low | 35.5 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 43.9 | 103.3 | 144.3 | -158.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 329 | H | 29.4 | Very low | 34.8 | Very low | 165 Ų | 165 | 145.1 Ų | 145.1 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | 88.8 | 137.1 | 82.2 | -154.7 | 22.4 | 0 | 0 | 0 | 113.5 | |||||
| 330 | Q | 33 | Very low | 34.5 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | 91 | 98.1 | 171 | -71 | -178.7 | -42.1 | 0 | 0 | 116.3 | ||||
| 331 | T | 28.8 | Very low | 34.4 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | 71.2 | 112.1 | 79.7 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 332 | G | 31.6 | Very low | 34.4 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | 161.1 | 93 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 333 | D | 33.4 | Very low | 34.1 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | 75 | 116.2 | 139.9 | -57.7 | -21.7 | 0 | 0 | 0 | 122.7 | ||||
| 334 | D | 32.9 | Very low | 34.5 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | 98.8 | 120.9 | 119.8 | -93.1 | 0.5 | 0 | 0 | 0 | 122.4 | |||||
| 335 | K | 36.3 | Very low | 34.7 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | 77.7 | 107.8 | 144.6 | -65.1 | 170.1 | -172.1 | 164.2 | 0 | 117.5 | ||||
| 336 | R | 30.3 | Very low | 34.7 | Very low | 216 Ų | 216 | 151.6 Ų | 151.6 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | 71.6 | 101 | 75 | -171.5 | 178.8 | -177 | 170 | 2.1 | 113.8 | |||||
| 337 | S | 39.4 | Very low | 34.8 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -171.5 | 107.3 | 145.6 | 30.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 338 | E | 34.5 | Very low | 34.9 | Very low | 159 Ų | 159 | 151.8 Ų | 151.8 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | 36.3 | 128.3 | 84.3 | -85.7 | -179.4 | 142.7 | 0 | 0 | 112.9 | |||||
| 339 | S | 34.3 | Very low | 35.1 | Very low | 94 Ų | 94 | 154.6 Ų | 154.6 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | cis | -177 | 145.2 | 8.2 | 52.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 340 | V | 37.5 | Very low | 35.4 | Very low | 120 Ų | 120 | 154 Ų | 154 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | 65.8 | 138.9 | 128.6 | 176.3 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 341 | K | 37.1 | Very low | 35.5 | Very low | 176 Ų | 176 | 153.6 Ų | 153.6 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | trans | 85.8 | 139.7 | 156.3 | -86.3 | 160.8 | -171.5 | 177.7 | 0 | 117.8 | ||||
| 342 | K | 38.2 | Very low | 36 | Very low | 179 Ų | 179 | 155.3 Ų | 155.3 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | cis | -163.8 | 153.2 | -7.7 | -136.6 | 178.5 | -170.1 | -173.5 | 0 | 108.1 | ||||
| 343 | T | 33.7 | Very low | 36.3 | Very low | 131 Ų | 131 | 161.6 Ų | 161.6 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -52.3 | 147.2 | 170.6 | 30.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 344 | K | 45.4 | Very low | 36.5 | Very low | 194 Ų | 194 | 162.2 Ų | 162.2 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -159.8 | 111.1 | 138.4 | -146.3 | 177.8 | -176.8 | -174.2 | 0 | 111.1 | ||||
| 345 | N | 38.8 | Very low | 36.9 | Very low | 166 Ų | 166 | 165.4 Ų | 165.4 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -163.8 | 90.9 | 152.1 | -98.7 | -3.3 | 0 | 0 | 0 | 107.3 | ||||
| 346 | E | 36.8 | Very low | 36.9 | Very low | 267 Ų | 267 | 164.6 Ų | 164.6 | 100% | 1.248 | 82% | 0.821 | S | S | * | * | -155.7 | 0 | 124.5 | -104.8 | -179.1 | 169.6 | 0 | 0 | 107.6 |
Retrieved 346 of 346 residues in 124 ms
(Link to these results)