| 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 | 51.6 | Low | 78.6 | Confident | 242 Ų | 242 | 119.1 Ų | 119.1 | 100% | 1.192 | 63% | 0.627 | S | S | * | * | 0 | 96.5 | 0 | -83.3 | 165.1 | 141.3 | 0 | 0 | 107.9 | M3 | M1-M3 PolarHBondContact O-N 3.41Š| |||
| 2 | V | 61 | Low | 79.9 | Confident | 147 Ų | 147 | 117.5 Ų | 117.5 | 89% | 0.891 | 63% | 0.626 | S | S | * | * | trans | -90.8 | 101.1 | 174.9 | -176.8 | 0 | 0 | 0 | 0 | 105.7 | S4 | V2-S4 PolarHBondContact O-N 3.44Š| ||
| 3 | M | 68.7 | Low | 81 | Confident | 120 Ų | 120 | 115.7 Ų | 115.7 | 59% | 0.591 | 63% | 0.627 | S | S | * | * | trans | -59 | 127.3 | 172.7 | -130.4 | 104.6 | 134.3 | 0 | 0 | 107.3 | M1 Q5 Y8 | M1-M3 PolarHBondContact O-N 3.41Å; M3-Q5 PolarHBondContact O-N 3.19Å; M3-Y8 HydrophobicContact CB-CE2 3.76Å; M3-Y8 WeakPolarHBondContact CB-OH 3.47Å | ||
| 4 | S | 74.9 | Confident | 82 | Confident | 79 Ų | 79 | 116.6 Ų | 116.6 | 55% | 0.552 | 62% | 0.622 | S | S | * | * | trans | -56.6 | 130.6 | -177.1 | 48.3 | 0 | 0 | 0 | 0 | 110 | V2 G6 T7 | V2-S4 PolarHBondContact O-N 3.44Å; S4-G6 PolarHBondContact O-N 3.49Å; S4-T7 PolarHBondContact O-N 3.33Å; S4-T7 PolarHBondContact O-OG1 2.93Å | ||
| 5 | Q | 78.6 | Confident | 82.9 | Confident | 172 Ų | 172 | 112.8 Ų | 112.8 | 80% | 0.804 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -47 | -28.9 | -176.6 | -174.5 | 178.9 | -6 | 0 | 0 | 113.8 | M3 T7 | M3-Q5 PolarHBondContact O-N 3.19Å; Q5-T7 PolarHBondContact O-N 2.89Å |
| 6 | G | 82.1 | Confident | 83.8 | Confident | 32 Ų | 32 | 107.5 Ų | 107.5 | 33% | 0.33 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.8 | -29.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | S4 Y8 T9 F10 | S4-G6 PolarHBondContact O-N 3.49Å; G6-Y8 PolarHBondContact O-N 3.1Å; G6-T9 PolarHBondContact O-N 3.25Å; G6-T9 PolarHBondContact O-OG1 3.19Å; G6-F10 WeakPolarHBondContact O-CD2 3.43Å; G6-F10 PolarHBondContact O-N 2.8Å |
| 7 | T | 87.5 | Confident | 84.5 | Confident | 49 Ų | 49 | 108.4 Ų | 108.4 | 30% | 0.301 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.1 | -36.8 | -179.2 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | S4 Q5 F10 L11 | S4-T7 PolarHBondContact O-N 3.33Å; S4-T7 PolarHBondContact O-OG1 2.93Å; Q5-T7 PolarHBondContact O-N 2.89Å; T7-F10 PolarHBondContact O-N 3.38Å; T7-L11 WeakPolarHBondContact O-CB 3.33Å; T7-L11 WeakPolarHBondContact O-CG 3.49Å; T7-L11 PolarHBondContact O-N 2.67Å |
| 8 | Y | 88.1 | Confident | 85.3 | Confident | 131 Ų | 131 | 112.1 Ų | 112.1 | 51% | 0.514 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67 | -40.1 | 178.2 | -63.1 | -73.5 | 0 | 0 | 0 | 112.5 | M3 G6 T12 | M3-Y8 HydrophobicContact CB-CE2 3.76Å; M3-Y8 WeakPolarHBondContact CB-OH 3.47Å; G6-Y8 PolarHBondContact O-N 3.1Å; Y8-T12 VanDerWaalsContact O-CB 3.3Å; Y8-T12 WeakPolarHBondContact O-CB 3.22Å; Y8-T12 PolarHBondContact O-N 3.04Å; Y8-T12 PolarHBondContact O-OG1 3.49Å |
| 9 | T | 90.5 | Very high | 85.9 | Confident | 84 Ų | 84 | 112.4 Ų | 112.4 | 52% | 0.515 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68 | -41.7 | 177.4 | 46 | 0 | 0 | 0 | 0 | 111.5 | G6 T12 C13 | G6-T9 PolarHBondContact O-N 3.25Å; G6-T9 PolarHBondContact O-OG1 3.19Å; T9-T12 PolarHBondContact O-N 3.42Å; T9-C13 WeakPolarHBondContact O-CB 3.23Å; T9-C13 PolarHBondContact O-N 3.29Å |
| 10 | F | 90 | Very high | 86.5 | Confident | 140 Ų | 140 | 112 Ų | 112 | 61% | 0.614 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.8 | -48.1 | 174.7 | -75 | -63.6 | 0 | 0 | 0 | 112.4 | G6 T7 T12 C13 F14 | G6-F10 WeakPolarHBondContact O-CD2 3.43Å; G6-F10 PolarHBondContact O-N 2.8Å; T7-F10 PolarHBondContact O-N 3.38Å; F10-T12 VanDerWaalsContact C-N 3.32Å; F10-T12 PolarHBondContact O-N 3.02Å; F10-C13 PolarHBondContact O-N 2.72Å; F10-F14 WeakPolarHBondContact O-CD2 3.49Å; F10-F14 PolarHBondContact O-N 2.67Å |
| 11 | L | 91.9 | Very high | 87.1 | Confident | 114 Ų | 114 | 113.8 Ų | 113.8 | 60% | 0.597 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.9 | -40.7 | 177.8 | -72.9 | 166.4 | 0 | 0 | 0 | 112 | T7 C13 F14 A15 | T7-L11 WeakPolarHBondContact O-CB 3.33Å; T7-L11 WeakPolarHBondContact O-CG 3.49Å; T7-L11 PolarHBondContact O-N 2.67Å; L11-C13 VanDerWaalsContact C-N 3.34Å; L11-F14 PolarHBondContact O-N 3.14Å; L11-A15 VanDerWaalsContact O-CB 3.24Å; L11-A15 WeakPolarHBondContact O-CB 3.41Å; L11-A15 PolarHBondContact O-N 3.06Å |
| 12 | T | 93.4 | Very high | 89.3 | Confident | 100 Ų | 100 | 103.9 Ų | 103.9 | 61% | 0.613 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.4 | -39.8 | 176.8 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | Y8 T9 F10 G16 | Y8-T12 VanDerWaalsContact O-CB 3.3Å; Y8-T12 WeakPolarHBondContact O-CB 3.22Å; Y8-T12 PolarHBondContact O-N 3.04Å; Y8-T12 PolarHBondContact O-OG1 3.49Å; T9-T12 PolarHBondContact O-N 3.42Å; F10-T12 VanDerWaalsContact C-N 3.32Å; F10-T12 PolarHBondContact O-N 3.02Å; T12-G16 PolarHBondContact O-N 3.42Å |
| 13 | C | 94.2 | Very high | 91.1 | Very high | 94 Ų | 94 | 101.6 Ų | 101.6 | 64% | 0.635 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -45.7 | 174.4 | -81.7 | 0 | 0 | 0 | 0 | 112.5 | T9 F10 L11 G16 F17 | T9-C13 WeakPolarHBondContact O-CB 3.23Å; T9-C13 PolarHBondContact O-N 3.29Å; F10-C13 PolarHBondContact O-N 2.72Å; L11-C13 VanDerWaalsContact C-N 3.34Å; C13-G16 PolarHBondContact O-N 2.88Å; C13-F17 PolarHBondContact O-N 3.45Å |
| 14 | F | 95.1 | Very high | 92.5 | Very high | 128 Ų | 128 | 100.1 Ų | 100.1 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.6 | -47.8 | 175.9 | -79.8 | -67.9 | 0 | 0 | 0 | 111.3 | F10 L11 G16 F17 W18 | F10-F14 WeakPolarHBondContact O-CD2 3.49Å; F10-F14 PolarHBondContact O-N 2.67Å; L11-F14 PolarHBondContact O-N 3.14Å; F14-G16 VanDerWaalsContact C-N 3.27Å; F14-G16 PolarHBondContact O-N 3Å; F14-F17 PolarHBondContact O-N 2.97Å; F14-W18 PolarHBondContact O-N 3.23Å |
| 15 | A | 95.8 | Very high | 93.6 | Very high | 60 Ų | 60 | 100.3 Ų | 100.3 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.8 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L11 W18 L19 | L11-A15 VanDerWaalsContact O-CB 3.24Å; L11-A15 WeakPolarHBondContact O-CB 3.41Å; L11-A15 PolarHBondContact O-N 3.06Å; A15-W18 PolarHBondContact O-N 3.49Å; A15-L19 VanDerWaalsContact O-CB 3.27Å; A15-L19 WeakPolarHBondContact O-CB 3.25Å; A15-L19 PolarHBondContact O-N 3.29Å |
| 16 | G | 96.9 | Very high | 94.5 | Very high | 28 Ų | 28 | 97.9 Ų | 97.9 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T12 C13 F14 W18 L19 I20 | T12-G16 PolarHBondContact O-N 3.42Å; C13-G16 PolarHBondContact O-N 2.88Å; F14-G16 VanDerWaalsContact C-N 3.27Å; F14-G16 PolarHBondContact O-N 3Å; G16-W18 PolarHBondContact O-N 2.92Å; G16-L19 PolarHBondContact O-N 3.24Å; G16-I20 WeakPolarHBondContact O-CB 3.45Å; G16-I20 WeakPolarHBondContact O-CD1 3.41Å; G16-I20 VanDerWaalsContact O-CG1 3.22Å; G16-I20 WeakPolarHBondContact O-CG1 3.49Å; G16-I20 PolarHBondContact O-N 3.02Å |
| 17 | F | 97.1 | Very high | 95.2 | Very high | 123 Ų | 123 | 100.9 Ų | 100.9 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 177 | -179.1 | -96.5 | 0 | 0 | 0 | 111.9 | C13 F14 L19 I20 W21 | C13-F17 PolarHBondContact O-N 3.45Å; F14-F17 PolarHBondContact O-N 2.97Å; F17-L19 VanDerWaalsContact C-N 3.32Å; F17-L19 PolarHBondContact O-N 3.36Å; F17-I20 PolarHBondContact O-N 2.91Å; F17-W21 HydrophobicContact CZ-CE3 4.2Å; F17-W21 VanDerWaalsContact O-CB 3.28Å; F17-W21 WeakPolarHBondContact O-CB 2.85Å; F17-W21 PolarHBondContact O-N 3.36Å |
| 18 | W | 97.4 | Very high | 95.7 | Very high | 175 Ų | 175 | 102.1 Ų | 102.1 | 66% | 0.663 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.2 | -38.5 | 175.7 | -75 | 111.6 | 0 | 0 | 0 | 112.4 | F14 A15 G16 G22 | F14-W18 PolarHBondContact O-N 3.23Å; A15-W18 PolarHBondContact O-N 3.49Å; G16-W18 PolarHBondContact O-N 2.92Å; W18-G22 PolarHBondContact O-N 3.02Å |
| 19 | L | 98 | Very high | 96.2 | Very high | 118 Ų | 118 | 99.8 Ų | 99.8 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.7 | -45.8 | 177.7 | -171.3 | 151.3 | 0 | 0 | 0 | 111.4 | A15 G16 F17 G22 L23 | A15-L19 VanDerWaalsContact O-CB 3.27Å; A15-L19 WeakPolarHBondContact O-CB 3.25Å; A15-L19 PolarHBondContact O-N 3.29Å; G16-L19 PolarHBondContact O-N 3.24Å; F17-L19 VanDerWaalsContact C-N 3.32Å; F17-L19 PolarHBondContact O-N 3.36Å; L19-G22 PolarHBondContact O-N 2.94Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 PolarHBondContact O-N 3.3Å |
| 20 | I | 97.9 | Very high | 96.5 | Very high | 103 Ų | 103 | 100.8 Ų | 100.8 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 176.9 | -67 | 160.7 | 0 | 0 | 0 | 109.9 | G16 F17 G22 L23 I24 | G16-I20 WeakPolarHBondContact O-CB 3.45Å; G16-I20 WeakPolarHBondContact O-CD1 3.41Å; G16-I20 VanDerWaalsContact O-CG1 3.22Å; G16-I20 WeakPolarHBondContact O-CG1 3.49Å; G16-I20 PolarHBondContact O-N 3.02Å; F17-I20 PolarHBondContact O-N 2.91Å; I20-G22 PolarHBondContact O-N 3.27Å; I20-L23 PolarHBondContact O-N 3.27Å; I20-I24 HydrophobicContact CG2-CD1 3.89Å; I20-I24 VanDerWaalsContact O-CG1 3.28Å; I20-I24 WeakPolarHBondContact O-CG1 3.1Å; I20-I24 PolarHBondContact O-N 3.07Å |
| 21 | W | 98.3 | Very high | 96.8 | Very high | 150 Ų | 150 | 96.5 Ų | 96.5 | 57% | 0.568 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.2 | -48.3 | 176.8 | -174.5 | -86.3 | 0 | 0 | 0 | 111.8 | F17 L23 I24 V25 | F17-W21 HydrophobicContact CZ-CE3 4.2Å; F17-W21 VanDerWaalsContact O-CB 3.28Å; F17-W21 WeakPolarHBondContact O-CB 2.85Å; F17-W21 PolarHBondContact O-N 3.36Å; W21-L23 VanDerWaalsContact C-N 3.33Å; W21-L23 PolarHBondContact O-N 3.31Å; W21-I24 PolarHBondContact O-N 3.44Å; W21-V25 WeakPolarHBondContact O-CG2 3.23Å; W21-V25 PolarHBondContact O-N 3.25Å |
| 22 | G | 98.1 | Very high | 97 | Very high | 35 Ų | 35 | 93.9 Ų | 93.9 | 36% | 0.361 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W18 L19 I20 V25 L26 | W18-G22 PolarHBondContact O-N 3.02Å; L19-G22 PolarHBondContact O-N 2.94Å; I20-G22 PolarHBondContact O-N 3.27Å; G22-V25 PolarHBondContact O-N 3.09Å; G22-L26 VanDerWaalsContact O-CB 3.22Å; G22-L26 WeakPolarHBondContact O-CB 3.1Å; G22-L26 PolarHBondContact O-N 3.46Å |
| 23 | L | 98.1 | Very high | 97.1 | Very high | 98 Ų | 98 | 94.1 Ų | 94.1 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 176.2 | -173.9 | 155.5 | 0 | 0 | 0 | 111.4 | L19 I20 W21 L26 L27 | L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 PolarHBondContact O-N 3.3Å; I20-L23 PolarHBondContact O-N 3.27Å; W21-L23 VanDerWaalsContact C-N 3.33Å; W21-L23 PolarHBondContact O-N 3.31Å; L23-L26 PolarHBondContact O-N 3.41Å; L23-L27 VanDerWaalsContact O-CB 3.25Å; L23-L27 WeakPolarHBondContact O-CB 3.31Å; L23-L27 PolarHBondContact O-N 3.43Å |
| 24 | I | 98.1 | Very high | 97.2 | Very high | 90 Ų | 90 | 92.8 Ų | 92.8 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -49.2 | 176.4 | -66.9 | 163.5 | 0 | 0 | 0 | 110 | I20 W21 L26 L27 C28 | I20-I24 HydrophobicContact CG2-CD1 3.89Å; I20-I24 VanDerWaalsContact O-CG1 3.28Å; I20-I24 WeakPolarHBondContact O-CG1 3.1Å; I20-I24 PolarHBondContact O-N 3.07Å; W21-I24 PolarHBondContact O-N 3.44Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 2.91Å; I24-L27 PolarHBondContact O-N 3.35Å; I24-C28 WeakPolarHBondContact O-CB 3.3Å; I24-C28 PolarHBondContact O-N 2.98Å; I24-C28 PolarHBondContact O-SG 2.96Å |
| 25 | V | 97.8 | Very high | 97.2 | Very high | 82 Ų | 82 | 95.8 Ų | 95.8 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | W21 G22 C28 C29 | W21-V25 WeakPolarHBondContact O-CG2 3.23Å; W21-V25 PolarHBondContact O-N 3.25Å; G22-V25 PolarHBondContact O-N 3.09Å; V25-C28 PolarHBondContact O-N 2.95Å; V25-C29 WeakPolarHBondContact O-CB 3.15Å; V25-C29 PolarHBondContact O-N 3.3Å |
| 26 | L | 97.9 | Very high | 97.2 | Very high | 122 Ų | 122 | 101.7 Ų | 101.7 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 176.6 | -176.6 | 68 | 0 | 0 | 0 | 111.2 | G22 L23 I24 C29 F30 | G22-L26 VanDerWaalsContact O-CB 3.22Å; G22-L26 WeakPolarHBondContact O-CB 3.1Å; G22-L26 PolarHBondContact O-N 3.46Å; L23-L26 PolarHBondContact O-N 3.41Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 2.91Å; L26-C29 PolarHBondContact O-N 3.36Å; L26-F30 WeakPolarHBondContact O-CB 3.49Å; L26-F30 PolarHBondContact O-N 2.91Å |
| 27 | L | 98.1 | Very high | 97 | Very high | 95 Ų | 95 | 107 Ų | 107 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 177.6 | -175.7 | 63.3 | 0 | 0 | 0 | 111 | L23 I24 F30 C31 | L23-L27 VanDerWaalsContact O-CB 3.25Å; L23-L27 WeakPolarHBondContact O-CB 3.31Å; L23-L27 PolarHBondContact O-N 3.43Å; I24-L27 PolarHBondContact O-N 3.35Å; L27-F30 PolarHBondContact O-N 3.32Å; L27-C31 WeakPolarHBondContact O-CB 3.29Å; L27-C31 PolarHBondContact O-N 3Å; L27-C31 PolarHBondContact O-SG 2.88Å |
| 28 | C | 97.6 | Very high | 96.9 | Very high | 75 Ų | 75 | 106.3 Ų | 106.3 | 51% | 0.507 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.3 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | I24 V25 S32 | I24-C28 WeakPolarHBondContact O-CB 3.3Å; I24-C28 PolarHBondContact O-N 2.98Å; I24-C28 PolarHBondContact O-SG 2.96Å; V25-C28 PolarHBondContact O-N 2.95Å; C28-S32 WeakPolarHBondContact O-CB 3.32Å; C28-S32 PolarHBondContact O-N 3Å; C28-S32 PolarHBondContact O-OG 3.19Å |
| 29 | C | 97.2 | Very high | 96.7 | Very high | 82 Ų | 82 | 103.9 Ų | 103.9 | 55% | 0.554 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.4 | -47 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | V25 L26 S32 F33 | V25-C29 WeakPolarHBondContact O-CB 3.15Å; V25-C29 PolarHBondContact O-N 3.3Å; L26-C29 PolarHBondContact O-N 3.36Å; C29-S32 WeakPolarHBondContact O-CB 3.31Å; C29-S32 PolarHBondContact O-N 3.45Å; C29-F33 WeakPolarHBondContact O-CB 3.34Å; C29-F33 PolarHBondContact O-N 2.77Å |
| 30 | F | 97.6 | Very high | 96.3 | Very high | 105 Ų | 105 | 106.6 Ų | 106.6 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 178.4 | -176.2 | -107.7 | 0 | 0 | 0 | 111.8 | L26 L27 S32 F33 L34 | L26-F30 WeakPolarHBondContact O-CB 3.49Å; L26-F30 PolarHBondContact O-N 2.91Å; L27-F30 PolarHBondContact O-N 3.32Å; F30-S32 VanDerWaalsContact C-N 3.3Å; F30-S32 PolarHBondContact O-N 3.46Å; F30-F33 PolarHBondContact O-N 3.32Å; F30-L34 HydrophobicContact CD1-CD1 3.76Å; F30-L34 HydrophobicContact CD1-CG 4.05Å; F30-L34 HydrophobicContact CD2-CG 4.45Å; F30-L34 HydrophobicContact CE1-CD1 3.17Å; F30-L34 HydrophobicContact CE1-CD2 4.28Å; F30-L34 HydrophobicContact CE1-CG 3.68Å; F30-L34 HydrophobicContact CE2-CD1 4.43Å; F30-L34 HydrophobicContact CE2-CD2 4.12Å; F30-L34 HydrophobicContact CE2-CG 4.09Å; F30-L34 HydrophobicContact CG-CG 4.43Å; F30-L34 HydrophobicContact CZ-CD1 3.56Å; F30-L34 HydrophobicContact CZ-CD2 3.8Å; F30-L34 HydrophobicContact CZ-CG 3.69Å; F30-L34 WeakPolarHBondContact O-CB 3.39Å; F30-L34 WeakPolarHBondContact O-CG 3.4Å; F30-L34 PolarHBondContact O-N 3.42Å |
| 31 | C | 96.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 108.9 Ų | 108.9 | 33% | 0.331 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 172.4 | -73.8 | 0 | 0 | 0 | 0 | 111.2 | L27 F33 L34 R35 | L27-C31 WeakPolarHBondContact O-CB 3.29Å; L27-C31 PolarHBondContact O-N 3Å; L27-C31 PolarHBondContact O-SG 2.88Å; C31-F33 VanDerWaalsContact C-N 3.33Å; C31-F33 PolarHBondContact O-N 3.17Å; C31-L34 PolarHBondContact O-N 2.8Å; C31-R35 VanDerWaalsContact O-CB 3.28Å; C31-R35 WeakPolarHBondContact O-CB 3.23Å; C31-R35 WeakPolarHBondContact O-CG 3.46Å; C31-R35 PolarHBondContact O-N 2.94Å |
| 32 | S | 96.4 | Very high | 95.4 | Very high | 60 Ų | 60 | 107.5 Ų | 107.5 | 42% | 0.42 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 177.1 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | C28 C29 F30 R36 | C28-S32 WeakPolarHBondContact O-CB 3.32Å; C28-S32 PolarHBondContact O-N 3Å; C28-S32 PolarHBondContact O-OG 3.19Å; C29-S32 WeakPolarHBondContact O-CB 3.31Å; C29-S32 PolarHBondContact O-N 3.45Å; F30-S32 VanDerWaalsContact C-N 3.3Å; F30-S32 PolarHBondContact O-N 3.46Å; S32-R36 WeakPolarHBondContact O-CB 3.49Å; S32-R36 VanDerWaalsContact O-CG 3.27Å; S32-R36 WeakPolarHBondContact O-CG 3.43Å; S32-R36 PolarHBondContact O-N 3.48Å |
| 33 | F | 95.9 | Very high | 95.1 | Very high | 105 Ų | 105 | 110.5 Ų | 110.5 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.5 | -46.4 | 176.6 | -179.1 | -100.4 | 0 | 0 | 0 | 112.1 | C29 F30 C31 R36 R37 | C29-F33 WeakPolarHBondContact O-CB 3.34Å; C29-F33 PolarHBondContact O-N 2.77Å; F30-F33 PolarHBondContact O-N 3.32Å; C31-F33 VanDerWaalsContact C-N 3.33Å; C31-F33 PolarHBondContact O-N 3.17Å; F33-R36 PolarHBondContact O-N 3.34Å; F33-R37 HydrophobicContact CD1-CG 4.14Å; F33-R37 HydrophobicContact CE1-CG 3.69Å; F33-R37 HydrophobicContact CE2-CG 4.24Å; F33-R37 HydrophobicContact CZ-CG 3.76Å; F33-R37 WeakPolarHBondContact O-CB 3.19Å; F33-R37 PolarHBondContact O-N 2.73Å |
| 34 | L | 95.1 | Very high | 94.6 | Very high | 65 Ų | 65 | 111.1 Ų | 111.1 | 34% | 0.34 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 175 | -74.4 | -171.1 | 0 | 0 | 0 | 111 | F30 C31 R36 R37 L38 | F30-L34 HydrophobicContact CD1-CD1 3.76Å; F30-L34 HydrophobicContact CD1-CG 4.05Å; F30-L34 HydrophobicContact CD2-CG 4.45Å; F30-L34 HydrophobicContact CE1-CD1 3.17Å; F30-L34 HydrophobicContact CE1-CD2 4.28Å; F30-L34 HydrophobicContact CE1-CG 3.68Å; F30-L34 HydrophobicContact CE2-CD1 4.43Å; F30-L34 HydrophobicContact CE2-CD2 4.12Å; F30-L34 HydrophobicContact CE2-CG 4.09Å; F30-L34 HydrophobicContact CG-CG 4.43Å; F30-L34 HydrophobicContact CZ-CD1 3.56Å; F30-L34 HydrophobicContact CZ-CD2 3.8Å; F30-L34 HydrophobicContact CZ-CG 3.69Å; F30-L34 WeakPolarHBondContact O-CB 3.39Å; F30-L34 WeakPolarHBondContact O-CG 3.4Å; F30-L34 PolarHBondContact O-N 3.42Å; C31-L34 PolarHBondContact O-N 2.8Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.4Å; L34-R37 PolarHBondContact O-N 3.37Å; L34-L38 WeakPolarHBondContact O-CB 3.15Å; L34-L38 WeakPolarHBondContact O-CG 3.24Å; L34-L38 PolarHBondContact O-N 2.82Å |
| 35 | R | 95.1 | Very high | 94.1 | Very high | 191 Ų | 191 | 114.2 Ų | 114.2 | 72% | 0.721 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.4 | -45.5 | 174.4 | -75.7 | 172.7 | -172.7 | -143.7 | 4 | 111.2 | C31 K39 | C31-R35 VanDerWaalsContact O-CB 3.28Å; C31-R35 WeakPolarHBondContact O-CB 3.23Å; C31-R35 WeakPolarHBondContact O-CG 3.46Å; C31-R35 PolarHBondContact O-N 2.94Å; R35-K39 WeakPolarHBondContact O-CB 2.83Å; R35-K39 PolarHBondContact O-N 2.87Å |
| 36 | R | 95.6 | Very high | 93.5 | Very high | 184 Ų | 184 | 114.7 Ų | 114.7 | 69% | 0.694 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.3 | -41.6 | 176.2 | -73.8 | 174.6 | -176.2 | -173 | 2.1 | 112.3 | S32 F33 L34 R40 | S32-R36 WeakPolarHBondContact O-CB 3.49Å; S32-R36 VanDerWaalsContact O-CG 3.27Å; S32-R36 WeakPolarHBondContact O-CG 3.43Å; S32-R36 PolarHBondContact O-N 3.48Å; F33-R36 PolarHBondContact O-N 3.34Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.4Å; R36-R40 WeakPolarHBondContact O-CG 3.32Å; R36-R40 PolarHBondContact O-N 3.35Å |
| 37 | R | 94.6 | Very high | 93.1 | Very high | 139 Ų | 139 | 118 Ų | 118 | 53% | 0.525 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69 | -46.2 | 179.3 | -88.4 | -80.9 | -171 | 168.5 | 1.6 | 112.2 | F33 L34 R40 R41 | F33-R37 HydrophobicContact CD1-CG 4.14Å; F33-R37 HydrophobicContact CE1-CG 3.69Å; F33-R37 HydrophobicContact CE2-CG 4.24Å; F33-R37 HydrophobicContact CZ-CG 3.76Å; F33-R37 WeakPolarHBondContact O-CB 3.19Å; F33-R37 PolarHBondContact O-N 2.73Å; L34-R37 PolarHBondContact O-N 3.37Å; R37-R40 PolarHBondContact O-N 2.88Å; R37-R41 PolarHBondContact O-N 2.94Å |
| 38 | L | 93.4 | Very high | 92.6 | Very high | 110 Ų | 110 | 118.4 Ų | 118.4 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.6 | -41.5 | 178.1 | -69.2 | 174.6 | 0 | 0 | 0 | 110.3 | L34 R40 R41 Q42 | L34-L38 WeakPolarHBondContact O-CB 3.15Å; L34-L38 WeakPolarHBondContact O-CG 3.24Å; L34-L38 PolarHBondContact O-N 2.82Å; L38-R40 PolarHBondContact O-N 3.22Å; L38-R41 PolarHBondContact O-N 3.27Å; L38-Q42 VanDerWaalsContact O-CB 3.23Å; L38-Q42 WeakPolarHBondContact O-CB 3.22Å; L38-Q42 PolarHBondContact O-N 3.42Å |
| 39 | K | 93.6 | Very high | 91.8 | Very high | 124 Ų | 124 | 121.1 Ų | 121.1 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.3 | -49.7 | 172.3 | -180 | 171 | 175.9 | 172.5 | 0 | 111.1 | R35 R41 Q42 E43 | R35-K39 WeakPolarHBondContact O-CB 2.83Å; R35-K39 PolarHBondContact O-N 2.87Å; K39-R41 PolarHBondContact O-N 2.88Å; K39-Q42 PolarHBondContact O-N 2.86Å; K39-E43 WeakPolarHBondContact CE-OE1 3.43Å; K39-E43 HydrophobicContact CG-CG 4.32Å; K39-E43 IonicContact NZ-OE1 2.88Å; K39-E43 WeakPolarHBondContact O-CB 3.2Å; K39-E43 WeakPolarHBondContact O-CG 3.43Å; K39-E43 PolarHBondContact O-N 3.13Å |
| 40 | R | 90.4 | Very high | 91 | Very high | 174 Ų | 174 | 121.8 Ų | 121.8 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.8 | -45.5 | 176.2 | -76.5 | -178.9 | -175.7 | -120 | 2.4 | 112.5 | R36 R37 L38 Q42 E43 E44 | R36-R40 WeakPolarHBondContact O-CG 3.32Å; R36-R40 PolarHBondContact O-N 3.35Å; R37-R40 PolarHBondContact O-N 2.88Å; L38-R40 PolarHBondContact O-N 3.22Å; R40-Q42 VanDerWaalsContact C-N 3.34Å; R40-Q42 PolarHBondContact O-N 2.8Å; R40-E43 PolarHBondContact O-N 3.02Å; R40-E44 WeakPolarHBondContact O-CB 3.27Å; R40-E44 VanDerWaalsContact O-CG 3.3Å; R40-E44 WeakPolarHBondContact O-CG 3.06Å; R40-E44 PolarHBondContact O-N 3.42Å |
| 41 | R | 89.7 | Confident | 90.2 | Very high | 152 Ų | 152 | 122.6 Ų | 122.6 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.6 | -38.5 | 176.6 | -74.9 | -164.2 | -175 | -97.8 | 9.9 | 112.2 | R37 L38 K39 E44 R45 | R37-R41 PolarHBondContact O-N 2.94Å; L38-R41 PolarHBondContact O-N 3.27Å; K39-R41 PolarHBondContact O-N 2.88Å; R41-E44 PolarHBondContact O-N 2.8Å; R41-R45 WeakPolarHBondContact O-CB 3.33Å; R41-R45 WeakPolarHBondContact O-CG 3.2Å; R41-R45 PolarHBondContact O-N 2.93Å |
| 42 | Q | 87.4 | Confident | 89 | Confident | 121 Ų | 121 | 128.8 Ų | 128.8 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.8 | -38.2 | 179.6 | -166.8 | -116.7 | -48.8 | 0 | 0 | 111.1 | L38 K39 R40 R45 L46 | L38-Q42 VanDerWaalsContact O-CB 3.23Å; L38-Q42 WeakPolarHBondContact O-CB 3.22Å; L38-Q42 PolarHBondContact O-N 3.42Å; K39-Q42 PolarHBondContact O-N 2.86Å; R40-Q42 VanDerWaalsContact C-N 3.34Å; R40-Q42 PolarHBondContact O-N 2.8Å; Q42-R45 PolarHBondContact O-N 3.45Å; Q42-L46 WeakPolarHBondContact O-CB 3.43Å; Q42-L46 PolarHBondContact O-N 3.48Å |
| 43 | E | 91.9 | Very high | 87.8 | Confident | 98 Ų | 98 | 128.6 Ų | 128.6 | 46% | 0.458 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65 | -42.7 | 171.9 | -74.3 | 173.5 | 168 | 0 | 0 | 111.4 | K39 R40 L46 R47 | K39-E43 WeakPolarHBondContact CE-OE1 3.43Å; K39-E43 HydrophobicContact CG-CG 4.32Å; K39-E43 IonicContact NZ-OE1 2.88Å; K39-E43 WeakPolarHBondContact O-CB 3.2Å; K39-E43 WeakPolarHBondContact O-CG 3.43Å; K39-E43 PolarHBondContact O-N 3.13Å; R40-E43 PolarHBondContact O-N 3.02Å; E43-L46 PolarHBondContact O-N 3.41Å; E43-R47 WeakPolarHBondContact O-CB 3.31Å; E43-R47 PolarHBondContact O-N 3.49Å |
| 44 | E | 86.3 | Confident | 86.5 | Confident | 111 Ų | 111 | 128.8 Ų | 128.8 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.6 | -46.7 | 174.2 | -76.9 | 170.2 | 177.9 | 0 | 0 | 111.2 | R40 R41 R47 E48 | R40-E44 WeakPolarHBondContact O-CB 3.27Å; R40-E44 VanDerWaalsContact O-CG 3.3Å; R40-E44 WeakPolarHBondContact O-CG 3.06Å; R40-E44 PolarHBondContact O-N 3.42Å; R41-E44 PolarHBondContact O-N 2.8Å; E44-R47 PolarHBondContact O-N 3.18Å; E44-E48 VanDerWaalsContact O-CG 3.32Å; E44-E48 WeakPolarHBondContact O-CG 3.44Å; E44-E48 PolarHBondContact O-N 3.45Å |
| 45 | R | 88.9 | Confident | 84.9 | Confident | 155 Ų | 155 | 131.7 Ų | 131.7 | 59% | 0.585 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.7 | -41.1 | 177.1 | -69.7 | -58.9 | -171.1 | -160.4 | 3.5 | 112.8 | R41 Q42 R47 E48 Q49 | R41-R45 WeakPolarHBondContact O-CB 3.33Å; R41-R45 WeakPolarHBondContact O-CG 3.2Å; R41-R45 PolarHBondContact O-N 2.93Å; Q42-R45 PolarHBondContact O-N 3.45Å; R45-R47 VanDerWaalsContact C-N 3.33Å; R45-E48 IonicContact CZ-OE2 3.9Å; R45-E48 IonicContact NH1-OE2 3.83Å; R45-E48 PolarHBondContact NH1-OE2 2.8Å; R45-E48 PolarHBondContact O-N 3.2Å; R45-Q49 WeakPolarHBondContact O-CB 3.46Å; R45-Q49 VanDerWaalsContact O-CG 3.31Å; R45-Q49 WeakPolarHBondContact O-CG 3.19Å; R45-Q49 PolarHBondContact O-N 3.05Å |
| 46 | L | 85.4 | Confident | 83.1 | Confident | 92 Ų | 92 | 128.3 Ų | 128.3 | 48% | 0.482 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.1 | -37.5 | 176.3 | -176.2 | 66.1 | 0 | 0 | 0 | 110.7 | Q42 E43 Q49 N50 | Q42-L46 WeakPolarHBondContact O-CB 3.43Å; Q42-L46 PolarHBondContact O-N 3.48Å; E43-L46 PolarHBondContact O-N 3.41Å; L46-Q49 PolarHBondContact O-N 2.75Å; L46-N50 WeakPolarHBondContact O-CB 3.42Å; L46-N50 PolarHBondContact O-N 2.89Å |
| 47 | R | 87.8 | Confident | 81.3 | Confident | 191 Ų | 191 | 125 Ų | 125 | 72% | 0.721 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.6 | -40.6 | 175.7 | -164.6 | -178.7 | 82.5 | 137.2 | 5.5 | 111.3 | E43 E44 R45 N50 L51 | E43-R47 WeakPolarHBondContact O-CB 3.31Å; E43-R47 PolarHBondContact O-N 3.49Å; E44-R47 PolarHBondContact O-N 3.18Å; R45-R47 VanDerWaalsContact C-N 3.33Å; R47-N50 PolarHBondContact O-N 2.96Å; R47-L51 VanDerWaalsContact O-CB 3.23Å; R47-L51 WeakPolarHBondContact O-CB 3.43Å; R47-L51 PolarHBondContact O-N 2.85Å |
| 48 | E | 88.6 | Confident | 79.3 | Confident | 103 Ų | 103 | 122 Ų | 122 | 48% | 0.481 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.2 | -44.5 | 172.2 | -73.1 | 173 | 175.1 | 0 | 0 | 111.3 | E44 R45 R52 | E44-E48 VanDerWaalsContact O-CG 3.32Å; E44-E48 WeakPolarHBondContact O-CG 3.44Å; E44-E48 PolarHBondContact O-N 3.45Å; R45-E48 IonicContact CZ-OE2 3.9Å; R45-E48 IonicContact NH1-OE2 3.83Å; R45-E48 PolarHBondContact NH1-OE2 2.8Å; R45-E48 PolarHBondContact O-N 3.2Å; E48-R52 VanDerWaalsContact O-CB 3.31Å; E48-R52 WeakPolarHBondContact O-CB 3.42Å; E48-R52 WeakPolarHBondContact O-CG 3.28Å; E48-R52 PolarHBondContact O-N 3.26Å |
| 49 | Q | 81 | Confident | 77.2 | Confident | 132 Ų | 132 | 122.1 Ų | 122.1 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.7 | -41.4 | 176 | -75.6 | 179.2 | -23.3 | 0 | 0 | 112.5 | R45 L46 R52 A53 | R45-Q49 WeakPolarHBondContact O-CB 3.46Å; R45-Q49 VanDerWaalsContact O-CG 3.31Å; R45-Q49 WeakPolarHBondContact O-CG 3.19Å; R45-Q49 PolarHBondContact O-N 3.05Å; L46-Q49 PolarHBondContact O-N 2.75Å; Q49-R52 PolarHBondContact O-N 2.73Å; Q49-A53 VanDerWaalsContact O-CB 3.24Å; Q49-A53 WeakPolarHBondContact O-CB 3.23Å; Q49-A53 PolarHBondContact O-N 3.42Å |
| 50 | N | 80 | Confident | 75.3 | Confident | 97 Ų | 97 | 123.5 Ų | 123.5 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.5 | -40.8 | 178.6 | -178.5 | -102.2 | 0 | 0 | 0 | 111.2 | L46 R47 A53 L54 | L46-N50 WeakPolarHBondContact O-CB 3.42Å; L46-N50 PolarHBondContact O-N 2.89Å; R47-N50 PolarHBondContact O-N 2.96Å; N50-A53 PolarHBondContact O-N 3.42Å; N50-L54 WeakPolarHBondContact O-CB 3.2Å; N50-L54 PolarHBondContact O-N 3.48Å |
| 51 | L | 80.2 | Confident | 73.4 | Confident | 122 Ų | 122 | 120.5 Ų | 120.5 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.9 | -43.9 | 174.3 | -166.5 | 79.3 | 0 | 0 | 0 | 111.2 | R47 L54 E55 | R47-L51 VanDerWaalsContact O-CB 3.23Å; R47-L51 WeakPolarHBondContact O-CB 3.43Å; R47-L51 PolarHBondContact O-N 2.85Å; L51-L54 CarbonylContact O-C 3.54Å; L51-L54 PolarHBondContact O-N 2.76Å; L51-E55 WeakPolarHBondContact O-CB 3.33Å; L51-E55 PolarHBondContact O-N 2.84Å |
| 52 | R | 72.6 | Confident | 71.4 | Confident | 179 Ų | 179 | 120 Ų | 120 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.6 | -40.2 | 174.2 | -74.4 | -89 | -172.3 | 130.1 | -1.4 | 112.1 | E48 Q49 E55 L56 | E48-R52 VanDerWaalsContact O-CB 3.31Å; E48-R52 WeakPolarHBondContact O-CB 3.42Å; E48-R52 WeakPolarHBondContact O-CG 3.28Å; E48-R52 PolarHBondContact O-N 3.26Å; Q49-R52 PolarHBondContact O-N 2.73Å; R52-E55 PolarHBondContact O-N 3.19Å; R52-L56 WeakPolarHBondContact O-CD1 3.15Å; R52-L56 PolarHBondContact O-N 2.89Å; R52-L56 VanDerWaalsContact O-N 3.17Å |
| 53 | A | 70.3 | Confident | 69.6 | Low | 56 Ų | 56 | 117 Ų | 117 | 46% | 0.463 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.4 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q49 N50 E55 L56 E57 | Q49-A53 VanDerWaalsContact O-CB 3.24Å; Q49-A53 WeakPolarHBondContact O-CB 3.23Å; Q49-A53 PolarHBondContact O-N 3.42Å; N50-A53 PolarHBondContact O-N 3.42Å; A53-E55 PolarHBondContact O-N 3.33Å; A53-L56 PolarHBondContact O-N 2.86Å; A53-E57 PolarHBondContact O-N 2.77Å; A53-E57 VanDerWaalsContact O-N 3.13Å |
| 54 | L | 69 | Low | 67.5 | Low | 108 Ų | 108 | 117 Ų | 117 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.1 | -13 | 173 | -108.7 | 92.4 | 0 | 0 | 0 | 114.1 | N50 L51 P58 | N50-L54 WeakPolarHBondContact O-CB 3.2Å; N50-L54 PolarHBondContact O-N 3.48Å; L51-L54 CarbonylContact O-C 3.54Å; L51-L54 PolarHBondContact O-N 2.76Å; L54-P58 WeakPolarHBondContact O-CD 3.21Å; L54-P58 WeakPolarHBondContact O-CG 3.22Å |
| 55 | E | 60.9 | Low | 65.7 | Low | 127 Ų | 127 | 118.8 Ų | 118.8 | 59% | 0.593 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -88.6 | -29.3 | 174.1 | -159.3 | -166.5 | 144.8 | 0 | 0 | 111.4 | L51 R52 A53 P58 | L51-E55 WeakPolarHBondContact O-CB 3.33Å; L51-E55 PolarHBondContact O-N 2.84Å; R52-E55 PolarHBondContact O-N 3.19Å; A53-E55 PolarHBondContact O-N 3.33Å; E55-P58 WeakPolarHBondContact O-CD 3.42Å |
| 56 | L | 57.9 | Low | 63.7 | Low | 119 Ų | 119 | 115.4 Ų | 115.4 | 62% | 0.623 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -81 | -26.6 | 176 | -72.4 | 156.9 | 0 | 0 | 0 | 112.5 | R52 A53 E60 | R52-L56 WeakPolarHBondContact O-CD1 3.15Å; R52-L56 PolarHBondContact O-N 2.89Å; R52-L56 VanDerWaalsContact O-N 3.17Å; A53-L56 PolarHBondContact O-N 2.86Å; L56-E60 WeakPolarHBondContact O-CG 3.4Å; L56-E60 PolarHBondContact O-N 2.83Å |
| 57 | E | 56.9 | Low | 61.4 | Low | 116 Ų | 116 | 114.2 Ų | 114.2 | 54% | 0.542 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.3 | -39.4 | -179.6 | -139.9 | -100.6 | 115.7 | 0 | 0 | 114.8 | A53 L59 E60 L61 | A53-E57 PolarHBondContact O-N 2.77Å; A53-E57 VanDerWaalsContact O-N 3.13Å; E57-L59 PolarHBondContact O-N 3.4Å; E57-E60 PolarHBondContact O-N 2.99Å; E57-L61 PolarHBondContact O-N 3.5Å; E57-L61 VanDerWaalsContact O-N 3.09Å |
| 58 | P | 53.7 | Low | 59.3 | Low | 76 Ų | 76 | 110.8 Ų | 110.8 | 49% | 0.494 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -61.9 | -31.7 | 174.4 | -22.3 | 31.4 | 0 | 0 | 0 | 112.9 | L54 E55 E62 | L54-P58 WeakPolarHBondContact O-CD 3.21Å; L54-P58 WeakPolarHBondContact O-CG 3.22Å; E55-P58 WeakPolarHBondContact O-CD 3.42Å; P58-E62 VanDerWaalsContact O-CB 3.25Å; P58-E62 WeakPolarHBondContact O-CB 3.42Å; P58-E62 PolarHBondContact O-N 3.17Å |
| 59 | L | 49.1 | Very low | 57.6 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 58% | 0.581 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -80.4 | -29.4 | 179 | -74.7 | 170.8 | 0 | 0 | 0 | 112.9 | E57 G63 | E57-L59 PolarHBondContact O-N 3.4Å; L59-G63 PolarHBondContact O-N 3.37Å |
| 60 | E | 52.6 | Low | 55.9 | Low | 153 Ų | 153 | 111 Ų | 111 | 72% | 0.715 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.7 | -36.6 | 172.4 | -70.9 | -85.9 | 115.2 | 0 | 0 | 111 | L56 E57 S64 | L56-E60 WeakPolarHBondContact O-CG 3.4Å; L56-E60 PolarHBondContact O-N 2.83Å; E57-E60 PolarHBondContact O-N 2.99Å; E60-S64 VanDerWaalsContact O-CB 3.23Å; E60-S64 WeakPolarHBondContact O-CB 3.25Å; E60-S64 PolarHBondContact O-N 3.26Å; E60-S64 VanDerWaalsContact O-N 3.07Å |
| 61 | L | 50.5 | Low | 54 | Low | 111 Ų | 111 | 109.5 Ų | 109.5 | 58% | 0.581 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.1 | -34.6 | 177.4 | -153.5 | 74.2 | 0 | 0 | 0 | 112.8 | E57 L65 | E57-L61 PolarHBondContact O-N 3.5Å; E57-L61 VanDerWaalsContact O-N 3.09Å; L61-L65 PolarHBondContact O-N 3.4Å |
| 62 | E | 48.4 | Very low | 52.6 | Low | 141 Ų | 141 | 112.4 Ų | 112.4 | 66% | 0.659 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.8 | -37.7 | 173.8 | -165.8 | -171.4 | 103.9 | 0 | 0 | 112 | P58 S64 L65 A66 | P58-E62 VanDerWaalsContact O-CB 3.25Å; P58-E62 WeakPolarHBondContact O-CB 3.42Å; P58-E62 PolarHBondContact O-N 3.17Å; E62-S64 VanDerWaalsContact C-N 3.29Å; E62-S64 PolarHBondContact O-N 3.39Å; E62-L65 PolarHBondContact O-N 3.35Å; E62-A66 PolarHBondContact O-N 2.84Å |
| 63 | G | 48.9 | Very low | 51.3 | Low | 59 Ų | 59 | 108.2 Ų | 108.2 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -67.7 | -26.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L59 | L59-G63 PolarHBondContact O-N 3.37Å |
| 64 | S | 47.4 | Very low | 50.8 | Low | 97 Ų | 97 | 111.1 Ų | 111.1 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -85.8 | -14.4 | 176.5 | -166.7 | 0 | 0 | 0 | 0 | 114.2 | E60 E62 | E60-S64 VanDerWaalsContact O-CB 3.23Å; E60-S64 WeakPolarHBondContact O-CB 3.25Å; E60-S64 PolarHBondContact O-N 3.26Å; E60-S64 VanDerWaalsContact O-N 3.07Å; E62-S64 VanDerWaalsContact C-N 3.29Å; E62-S64 PolarHBondContact O-N 3.39Å |
| 65 | L | 50.2 | Low | 49.9 | Very low | 149 Ų | 149 | 112 Ų | 112 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -100 | -12.9 | 176.9 | -96.6 | 160.4 | 0 | 0 | 0 | 113.6 | L61 E62 | L61-L65 PolarHBondContact O-N 3.4Å; E62-L65 PolarHBondContact O-N 3.35Å |
| 66 | A | 47.2 | Very low | 49.4 | Very low | 84 Ų | 84 | 114.9 Ų | 114.9 | 69% | 0.694 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -106.2 | 63.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E62 | E62-A66 PolarHBondContact O-N 2.84Š|
| 67 | G | 36.8 | Very low | 49.3 | Very low | 67 Ų | 67 | 113.6 Ų | 113.6 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | trans | 158 | 104.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 68 | S | 42.1 | Very low | 49.6 | Very low | 119 Ų | 119 | 113.3 Ų | 113.3 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | trans | -57.3 | 155.9 | 170.7 | -141.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 69 | P | 53.8 | Low | 49.5 | Very low | 116 Ų | 116 | 115.9 Ų | 115.9 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | -84.7 | 149.4 | -163.3 | 35 | -32.2 | 0 | 0 | 0 | 112.6 | ||||
| 70 | P | 45.2 | Very low | 49.1 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -119.2 | 116.2 | 148.5 | 27.4 | -12.2 | 0 | 0 | 0 | 110.5 | ||||
| 71 | G | 40.2 | Very low | 48.5 | Very low | 65 Ų | 65 | 123.3 Ų | 123.3 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | 60.7 | 115.4 | 134.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 72 | L | 50.5 | Low | 48 | Very low | 183 Ų | 183 | 122.8 Ų | 122.8 | 96% | 0.958 | 76% | 0.759 | S | S | * | * | trans | 46.8 | 92.8 | 145 | -76.4 | 110.6 | 0 | 0 | 0 | 118 | ||||
| 73 | A | 46.6 | Very low | 47.6 | Very low | 90 Ų | 90 | 128 Ų | 128 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | -152.1 | 130.1 | 142.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 74 | P | 58.1 | Low | 47.4 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 154.8 | 173.9 | 30.5 | -31.5 | 0 | 0 | 0 | 110.6 | Q76 | P74-Q76 PolarHBondContact O-N 3.44Š|
| 75 | P | 50.2 | Low | 47 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 124.5 | -176.7 | 24.7 | -32.7 | 0 | 0 | 0 | 110.8 | P77 | P75-P77 WeakPolarHBondContact O-CD 3.44Š|
| 76 | Q | 50 | Low | 46.2 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 120.9 | 174.8 | -156.2 | -177.2 | 77.3 | 0 | 0 | 108.8 | P74 | P74-Q76 PolarHBondContact O-N 3.44Š|
| 77 | P | 56.8 | Low | 46.2 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 60% | 0.604 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 149.8 | 175 | 27.6 | -31.1 | 0 | 0 | 0 | 110.9 | P75 | P75-P77 WeakPolarHBondContact O-CD 3.44Š|
| 78 | P | 62.4 | Low | 46.6 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 151 | 174.7 | 25.3 | -33.2 | 0 | 0 | 0 | 111.1 | H80 | P78-H80 PolarHBondContact O-N 3.06Š|
| 79 | P | 51.9 | Low | 46.3 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | trans | -65.4 | 113.5 | -173.3 | 26.5 | -32.7 | 0 | 0 | 0 | 110.6 | R81 | P79-R81 PolarHBondContact O-N 3.43Å; P79-R81 VanDerWaalsContact O-N 3.08Å | ||
| 80 | H | 40.7 | Very low | 45.4 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -61.5 | 106.4 | 169.7 | -87.9 | -81.9 | 0 | 0 | 0 | 110.1 | P78 S82 | P78-H80 PolarHBondContact O-N 3.06Å; H80-S82 PolarHBondContact O-N 2.77Å | ||
| 81 | R | 41 | Very low | 45.2 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -85.1 | 92.6 | 157.5 | -155.9 | 177.8 | 178.5 | 138.3 | 0.8 | 108.4 | P79 | P79-R81 PolarHBondContact O-N 3.43Å; P79-R81 VanDerWaalsContact O-N 3.08Å | ||
| 82 | S | 40.2 | Very low | 44.8 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | 47.1 | 104.8 | 150 | 54.3 | 0 | 0 | 0 | 0 | 118.2 | H80 | H80-S82 PolarHBondContact O-N 2.77Š| ||
| 83 | R | 40 | Very low | 44.2 | Very low | 251 Ų | 251 | 143.9 Ų | 143.9 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | trans | -149.2 | 128.2 | 138.1 | -156.7 | 168.1 | 177.9 | -173.3 | -2.6 | 111.3 | ||||
| 84 | L | 43.2 | Very low | 44.1 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | -54.1 | 151.3 | -170.8 | -139 | 70.5 | 0 | 0 | 0 | 114.6 | ||||
| 85 | E | 39.1 | Very low | 43.1 | Very low | 192 Ų | 192 | 147.3 Ų | 147.3 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -47.1 | 153.3 | 177.3 | -148.9 | 166.3 | 100.1 | 0 | 0 | 116 | ||||
| 86 | A | 34.2 | Very low | 42.3 | Very low | 84 Ų | 84 | 146.8 Ų | 146.8 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | trans | -75.6 | 176.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 87 | P | 47.3 | Very low | 41.7 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -140.9 | 157.9 | 74.4 | 27.1 | -5.2 | 0 | 0 | 0 | 115.3 | |||||
| 88 | A | 44.7 | Very low | 40.6 | Very low | 82 Ų | 82 | 146.9 Ų | 146.9 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -49.7 | 144.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 89 | H | 36.9 | Very low | 39.9 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | 175.3 | 148 | 121.8 | -93.2 | 57.7 | 0 | 0 | 0 | 110.7 | |||||
| 90 | A | 34 | Very low | 39.8 | Very low | 88 Ų | 88 | 148.5 Ų | 148.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 78.9 | 101.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 91 | H | 40.8 | Very low | 39.8 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | 33.1 | 123.3 | 118.8 | -80.1 | 75.5 | 0 | 0 | 0 | 119.1 | |||||
| 92 | S | 32.5 | Very low | 39.7 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | 124.7 | 106.6 | 140.3 | 70 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 93 | H | 38.5 | Very low | 39.7 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | trans | -64.4 | 140 | 153.6 | -104.5 | -103.5 | 0 | 0 | 0 | 108.4 | ||||
| 94 | P | 43.7 | Very low | 39.7 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | -132.4 | 139.6 | 112.8 | 32.9 | -21.8 | 0 | 0 | 0 | 112.6 | V96 | P94-V96 PolarHBondContact O-N 3.25Š| |||
| 95 | H | 37.4 | Very low | 39.1 | Very low | 174 Ų | 174 | 135 Ų | 135 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | trans | -57.8 | 119 | 165.6 | -111.9 | -84 | 0 | 0 | 0 | 109.7 | ||||
| 96 | V | 33.6 | Very low | 39.7 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | trans | -110.9 | 106.6 | 166 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | P94 V98 | P94-V96 PolarHBondContact O-N 3.25Å; V96-V98 HydrophobicContact CG1-CG2 4.13Å | ||
| 97 | H | 36.1 | Very low | 39.7 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -80.3 | 115.9 | 167 | -159.5 | 58.3 | 0 | 0 | 0 | 107.5 | ||||
| 98 | V | 35.5 | Very low | 39.2 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | trans | -91.7 | 112.1 | 179 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | V96 | V96-V98 HydrophobicContact CG1-CG2 4.13Š| ||
| 99 | H | 46.8 | Very low | 39.6 | Very low | 162 Ų | 162 | 136 Ų | 136 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | trans | -88 | 149.1 | 151.9 | -95 | -87.2 | 0 | 0 | 0 | 109 | ||||
| 100 | P | 49.9 | Very low | 39.6 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | -144.7 | 135.3 | 116.5 | 28.4 | -9.5 | 0 | 0 | 0 | 112.5 | |||||
| 101 | L | 39.7 | Very low | 39.6 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | 98.8 | 141.2 | 51.2 | -161.2 | 78 | 0 | 0 | 0 | 111.9 | |||||
| 102 | L | 39 | Very low | 39.6 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | 104.7 | 129.4 | 159.1 | -56.3 | 178.9 | 0 | 0 | 0 | 115 | ||||
| 103 | H | 40.2 | Very low | 40.5 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 63% | 0.625 | 75% | 0.746 | S | S | * | * | cis | -179.4 | 161.8 | 7.7 | -140.4 | -60.6 | 0 | 0 | 0 | 112.7 | ||||
| 104 | H | 40.5 | Very low | 40.4 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | 79.3 | 134 | 161 | -57 | 96.6 | 0 | 0 | 0 | 118.2 | ||||
| 105 | G | 31.7 | Very low | 40.6 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | cis | -168.1 | -166.4 | 22 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 106 | P | 51.4 | Low | 40.7 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | -116 | 164.4 | -129.7 | 40.4 | -33.1 | 0 | 0 | 0 | 118.9 | |||||
| 107 | A | 33.6 | Very low | 41.2 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 79% | 0.793 | 75% | 0.745 | S | S | * | * | trans | 60.6 | 117.3 | 143.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 108 | Q | 37.6 | Very low | 41 | Very low | 190 Ų | 190 | 133.6 Ų | 133.6 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | -175.9 | 151.3 | 99.4 | -125.8 | -157.9 | 7.5 | 0 | 0 | 112.3 | |||||
| 109 | P | 52.9 | Low | 40.8 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 59% | 0.591 | 75% | 0.747 | S | S | * | * | trans | -116.3 | 174.3 | 179.5 | 41.1 | -28 | 0 | 0 | 0 | 114 | ||||
| 110 | H | 36.9 | Very low | 40.3 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | 91.1 | 140.2 | 168.5 | -57.4 | 11.2 | 0 | 0 | 0 | 114.7 | ||||
| 111 | A | 33.2 | Very low | 39.7 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | cis | -166.7 | 154.3 | -1.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 112 | H | 40 | Very low | 39.6 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | 77.8 | 155.7 | 138 | -86.2 | 20.2 | 0 | 0 | 0 | 122.4 | ||||
| 113 | P | 51.5 | Low | 39.4 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | trans | -120.2 | -177.8 | -136.5 | 32.1 | -11.7 | 0 | 0 | 0 | 115.3 | ||||
| 114 | H | 38.2 | Very low | 39.6 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | 87.4 | 159.4 | 167.8 | -65.2 | -80.3 | 0 | 0 | 0 | 118.1 | ||||
| 115 | P | 46.4 | Very low | 39.9 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -129.9 | 166.5 | -46.7 | 34.9 | -18.9 | 0 | 0 | 0 | 112.1 | ||||
| 116 | H | 39.3 | Very low | 40.3 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | -50.2 | 160.7 | 161.6 | -102.9 | -53.6 | 0 | 0 | 0 | 111.9 | ||||
| 117 | P | 45.9 | Very low | 40.4 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 60% | 0.604 | 76% | 0.764 | S | S | * | * | -162.9 | 176.5 | 65.8 | 39.6 | -14.6 | 0 | 0 | 0 | 120.6 | |||||
| 118 | H | 31.4 | Very low | 40.9 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | 81.1 | 101.7 | 153.3 | -55.6 | -51.7 | 0 | 0 | 0 | 120.4 | ||||
| 119 | S | 30.5 | Very low | 41.5 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | -144.3 | 138.2 | 123.7 | -77.7 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 120 | H | 36.9 | Very low | 41.4 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 133.5 | -152.2 | -68.1 | -108.9 | 0 | 0 | 0 | 113.7 | ||
| 121 | H | 37.3 | Very low | 41.7 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -86 | 135.2 | 154.7 | -72.3 | -71.8 | 0 | 0 | 0 | 109.3 | ||
| 122 | H | 37.4 | Very low | 42.1 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 135.7 | 158.9 | -97.4 | -65.7 | 0 | 0 | 0 | 110.2 | ||
| 123 | A | 35.3 | Very low | 42.6 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | 87.1 | 99.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 124 | L | 43.2 | Very low | 42.5 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -81.9 | -175.1 | 157.4 | -139.8 | 72 | 0 | 0 | 0 | 109.7 | ||||
| 125 | P | 48.4 | Very low | 43.1 | Very low | 84 Ų | 84 | 136 Ų | 136 | 55% | 0.545 | 77% | 0.769 | S | S | . | * | cis | -131.4 | 159.6 | -15.7 | 21.4 | 5.3 | 0 | 0 | 0 | 113.2 | ||||
| 126 | H | 39 | Very low | 43.1 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | 175.2 | 155.5 | 79 | -84.3 | -73.9 | 0 | 0 | 0 | 110.6 | |||||
| 127 | P | 53.9 | Low | 43.7 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -103.6 | 163.9 | 178 | 39.3 | -31.3 | 0 | 0 | 0 | 114 | ||||
| 128 | P | 44.4 | Very low | 43.8 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -120.9 | 144.4 | 142.5 | 34.8 | -27 | 0 | 0 | 0 | 112.5 | ||||
| 129 | P | 50.7 | Low | 44.5 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | trans | -101.6 | -174 | 174.2 | 45 | -36.2 | 0 | 0 | 0 | 110.9 | ||||
| 130 | P | 50.7 | Low | 45 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | -99.9 | 142.6 | -106.9 | 29.8 | -10.1 | 0 | 0 | 0 | 113.5 | |||||
| 131 | H | 42.7 | Very low | 45.3 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -123.9 | 96.6 | 165 | -23 | -59.9 | 0 | 0 | 0 | 109.3 | ||||
| 132 | L | 42.1 | Very low | 45.8 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 26.3 | 114.9 | 140 | -69.9 | 156.2 | 0 | 0 | 0 | 117.2 | V134 | L132-V134 PolarHBondContact O-N 2.8Å; L132-V134 VanDerWaalsContact O-N 3.11Å | ||
| 133 | S | 48.8 | Very low | 46.5 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | trans | -37.9 | 105.9 | 163.3 | -32.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 134 | V | 51 | Low | 47 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 122.4 | 161.4 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | L132 | L132-V134 PolarHBondContact O-N 2.8Å; L132-V134 VanDerWaalsContact O-N 3.11Å |
| 135 | P | 49.6 | Very low | 47 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 138.9 | 173.4 | 28.7 | -31.4 | 0 | 0 | 0 | 109.6 | ||
| 136 | P | 46.8 | Very low | 47.1 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 136.3 | -178.3 | 27.6 | -31.6 | 0 | 0 | 0 | 111.1 | ||
| 137 | R | 52.3 | Low | 47.6 | Very low | 224 Ų | 224 | 145.6 Ų | 145.6 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 158.1 | 168.4 | -76.6 | -170.4 | -166.5 | -172.2 | 4.9 | 111.1 | W139 | R137-W139 PolarHBondContact O-N 3.36Š|
| 138 | P | 47 | Very low | 47.5 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -81.6 | 7.5 | -163.9 | -10.1 | 27.9 | 0 | 0 | 0 | 117 | ||
| 139 | W | 46.4 | Very low | 47.8 | Very low | 214 Ų | 214 | 148.7 Ų | 148.7 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -136.6 | 59.6 | -164 | -61.8 | 104.4 | 0 | 0 | 0 | 114.3 | R137 | R137-W139 PolarHBondContact O-N 3.36Š| ||
| 140 | S | 41.3 | Very low | 48.4 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -118 | 99 | 168.3 | -57.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 141 | Y | 43.3 | Very low | 48.8 | Very low | 209 Ų | 209 | 150.5 Ų | 150.5 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | trans | -58.2 | 132.6 | 163.5 | -80.8 | -91.2 | 0 | 0 | 0 | 109.7 | R143 | Y141-R143 PolarHBondContact O-N 3.49Š| ||
| 142 | P | 48.4 | Very low | 49.5 | Very low | 105 Ų | 105 | 147.4 Ų | 147.4 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -75 | 114.5 | 163.8 | -6.5 | 23.6 | 0 | 0 | 0 | 108.4 | Q144 | P142-Q144 PolarHBondContact O-N 2.99Š| ||
| 143 | R | 51.8 | Low | 50.4 | Low | 249 Ų | 249 | 143.7 Ų | 143.7 | 94% | 0.94 | 77% | 0.765 | S | S | * | * | trans | -62.5 | 91.8 | 151.6 | -113.6 | -135 | -86.6 | -173.2 | -7.6 | 107 | Y141 | Y141-R143 PolarHBondContact O-N 3.49Š| ||
| 144 | Q | 44.7 | Very low | 51.3 | Low | 173 Ų | 173 | 140.9 Ų | 140.9 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | -106.3 | 98 | 158 | -89.3 | 175.4 | -4.7 | 0 | 0 | 105.5 | P142 | P142-Q144 PolarHBondContact O-N 2.99Š| ||
| 145 | A | 42.8 | Very low | 52.1 | Low | 83 Ų | 83 | 143.3 Ų | 143.3 | 69% | 0.686 | 74% | 0.742 | S | S | * | * | 61.9 | 83.5 | 91.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 146 | E | 50.6 | Low | 53.2 | Low | 191 Ų | 191 | 144.3 Ų | 144.3 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 2 | 126.2 | 136.6 | -57.9 | 164.8 | -163 | 0 | 0 | 113.7 | ||
| 147 | S | 50.8 | Low | 54.2 | Low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | 94 | 72.2 | 164.1 | -158.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 148 | D | 51.3 | Low | 54.8 | Low | 110 Ų | 110 | 134.7 Ų | 134.7 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | trans | -144.1 | 64 | 136.3 | -136.7 | -12 | 0 | 0 | 0 | 110.6 | S150 K151 | D148-S150 PolarHBondContact O-N 3.28Å; D148-S150 PolarHBondContact OD1-OG 2.85Å; D148-K151 PolarHBondContact O-N 3.26Å | ||
| 149 | M | 51.8 | Low | 55.8 | Low | 188 Ų | 188 | 133.2 Ų | 133.2 | 93% | 0.926 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -1.6 | 177.8 | -69.6 | -72.9 | 144.5 | 0 | 0 | 113.6 | ||
| 150 | S | 62.4 | Low | 56.7 | Low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -11 | 176.9 | 26.5 | 0 | 0 | 0 | 0 | 114.3 | D148 | D148-S150 PolarHBondContact O-N 3.28Å; D148-S150 PolarHBondContact OD1-OG 2.85Å |
| 151 | K | 58.5 | Low | 57.8 | Low | 161 Ų | 161 | 132.1 Ų | 132.1 | 70% | 0.7 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -106.1 | 116 | 179 | -132.5 | 161 | -174.1 | 173.7 | 0 | 108.7 | D148 | D148-K151 PolarHBondContact O-N 3.26Š|
| 152 | P | 58.2 | Low | 59.1 | Low | 107 Ų | 107 | 125.1 Ų | 125.1 | 70% | 0.695 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 139.8 | 165.5 | 24 | -30.8 | 0 | 0 | 0 | 107.5 | C154 | P152-C154 PolarHBondContact O-N 3.11Š|
| 153 | P | 59.8 | Low | 60.2 | Low | 80 Ų | 80 | 128.5 Ų | 128.5 | 52% | 0.519 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -47.5 | 138.5 | -178.3 | 17 | -29.6 | 0 | 0 | 0 | 108.9 | Y155 E157 A158 | P153-Y155 PolarHBondContact O-N 3.38Å; P153-E157 HydrophobicContact CB-CB 4.45Å; P153-A158 HydrophobicContact CB-CB 4.4Å; P153-A158 HydrophobicContact CG-CB 4.22Å |
| 154 | C | 68.9 | Low | 61.2 | Low | 68 Ų | 68 | 121.5 Ų | 121.5 | 46% | 0.459 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 145.6 | 176.8 | 62.9 | 0 | 0 | 0 | 0 | 108.2 | P152 E156 E157 A158 | P152-C154 PolarHBondContact O-N 3.11Å; C154-E156 WeakPolarHBondContact CB-OE2 3.28Å; C154-E156 PolarHBondContact O-N 2.83Å; C154-E157 PolarHBondContact O-N 3.43Å; C154-A158 PolarHBondContact O-N 2.89Å |
| 155 | Y | 67.4 | Low | 62.6 | Low | 178 Ų | 178 | 118.7 Ų | 118.7 | 70% | 0.698 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -51.7 | -32.5 | -176 | 178.3 | -97.1 | 0 | 0 | 0 | 111.2 | P153 V159 | P153-Y155 PolarHBondContact O-N 3.38Å; Y155-V159 HydrophobicContact CD1-CG2 4.04Å; Y155-V159 HydrophobicContact CD2-CG2 4.32Å; Y155-V159 HydrophobicContact CE1-CG2 3.71Å; Y155-V159 HydrophobicContact CE2-CG2 4.02Å; Y155-V159 HydrophobicContact CG-CG2 4.33Å; Y155-V159 VanDerWaalsContact O-CB 3.31Å; Y155-V159 WeakPolarHBondContact O-CB 3.28Å; Y155-V159 WeakPolarHBondContact O-CG2 3.27Å; Y155-V159 PolarHBondContact O-N 3.23Å |
| 156 | E | 71.9 | Confident | 64.1 | Low | 128 Ų | 128 | 118.8 Ų | 118.8 | 60% | 0.598 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63.7 | -40.4 | 176.3 | -63.8 | 71.2 | -156.5 | 0 | 0 | 113.6 | C154 L160 | C154-E156 WeakPolarHBondContact CB-OE2 3.28Å; C154-E156 PolarHBondContact O-N 2.83Å; E156-L160 WeakPolarHBondContact O-CD1 3.33Å; E156-L160 VanDerWaalsContact O-CG 3.29Å; E156-L160 WeakPolarHBondContact O-CG 3.28Å |
| 157 | E | 68.6 | Low | 65.5 | Low | 114 Ų | 114 | 113.1 Ų | 113.1 | 53% | 0.533 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -80 | -37.2 | 177.4 | -172.3 | 178.6 | -169.9 | 0 | 0 | 111.5 | P153 C154 V159 L160 M161 | P153-E157 HydrophobicContact CB-CB 4.45Å; C154-E157 PolarHBondContact O-N 3.43Å; E157-V159 VanDerWaalsContact C-N 3.34Å; E157-V159 PolarHBondContact O-N 3.42Å; E157-L160 PolarHBondContact O-N 3.08Å; E157-M161 WeakPolarHBondContact O-CG 3.24Å; E157-M161 PolarHBondContact O-N 3.05Å |
| 158 | A | 65.4 | Low | 65.6 | Low | 39 Ų | 39 | 116.9 Ų | 116.9 | 32% | 0.322 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.5 | -36.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P153 C154 L160 M161 A162 | P153-A158 HydrophobicContact CB-CB 4.4Å; P153-A158 HydrophobicContact CG-CB 4.22Å; C154-A158 PolarHBondContact O-N 2.89Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-M161 PolarHBondContact O-N 2.85Å; A158-A162 VanDerWaalsContact O-CB 3.29Å; A158-A162 WeakPolarHBondContact O-CB 3.49Å; A158-A162 PolarHBondContact O-N 3.27Å |
| 159 | V | 67.5 | Low | 66.5 | Low | 80 Ų | 80 | 115.2 Ų | 115.2 | 49% | 0.485 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68 | -32.4 | 174.7 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | Y155 E157 | Y155-V159 HydrophobicContact CD1-CG2 4.04Å; Y155-V159 HydrophobicContact CD2-CG2 4.32Å; Y155-V159 HydrophobicContact CE1-CG2 3.71Å; Y155-V159 HydrophobicContact CE2-CG2 4.02Å; Y155-V159 HydrophobicContact CG-CG2 4.33Å; Y155-V159 VanDerWaalsContact O-CB 3.31Å; Y155-V159 WeakPolarHBondContact O-CB 3.28Å; Y155-V159 WeakPolarHBondContact O-CG2 3.27Å; Y155-V159 PolarHBondContact O-N 3.23Å; E157-V159 VanDerWaalsContact C-N 3.34Å; E157-V159 PolarHBondContact O-N 3.42Å |
| 160 | L | 65.7 | Low | 67.5 | Low | 149 Ų | 149 | 111.8 Ų | 111.8 | 78% | 0.78 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.7 | -28.4 | 176.7 | -69.6 | 170.3 | 0 | 0 | 0 | 112.8 | E156 E157 A158 | E156-L160 WeakPolarHBondContact O-CD1 3.33Å; E156-L160 VanDerWaalsContact O-CG 3.29Å; E156-L160 WeakPolarHBondContact O-CG 3.28Å; E157-L160 PolarHBondContact O-N 3.08Å; A158-L160 VanDerWaalsContact C-N 3.31Å |
| 161 | M | 64.6 | Low | 68 | Low | 154 Ų | 154 | 109.9 Ų | 109.9 | 76% | 0.759 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -91.1 | -11 | 176 | -66.6 | -59 | -60.6 | 0 | 0 | 113.7 | E157 A158 E163 | E157-M161 WeakPolarHBondContact O-CG 3.24Å; E157-M161 PolarHBondContact O-N 3.05Å; A158-M161 PolarHBondContact O-N 2.85Å; M161-E163 PolarHBondContact O-N 2.95Å |
| 162 | A | 71.3 | Confident | 68.4 | Low | 61 Ų | 61 | 108.5 Ų | 108.5 | 50% | 0.504 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -71.1 | 114.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | A158 | A158-A162 VanDerWaalsContact O-CB 3.29Å; A158-A162 WeakPolarHBondContact O-CB 3.49Å; A158-A162 PolarHBondContact O-N 3.27Å |
| 163 | E | 69.9 | Low | 68.8 | Low | 176 Ų | 176 | 108.4 Ų | 108.4 | 82% | 0.822 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 132.3 | 167.7 | -170.9 | 171.2 | -173 | 0 | 0 | 108.6 | M161 | M161-E163 PolarHBondContact O-N 2.95Š|
| 164 | P | 73.8 | Confident | 69.1 | Low | 102 Ų | 102 | 108.1 Ų | 108.1 | 66% | 0.662 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 139.2 | 179.5 | 21.8 | -32.8 | 0 | 0 | 0 | 109.2 | ||
| 165 | P | 74.3 | Confident | 68.8 | Low | 114 Ų | 114 | 111.5 Ų | 111.5 | 74% | 0.74 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 136.7 | 179.6 | 22.3 | -32.4 | 0 | 0 | 0 | 109.2 | ||
| 166 | P | 73.5 | Confident | 68.7 | Low | 85 Ų | 85 | 114.2 Ų | 114.2 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 141.1 | -174.5 | 19.5 | -30.9 | 0 | 0 | 0 | 110.1 | Y168 | P166-Y168 PolarHBondContact O-N 3.49Š|
| 167 | P | 79.3 | Confident | 68.1 | Low | 73 Ų | 73 | 109.4 Ų | 109.4 | 47% | 0.474 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 140.2 | -175.6 | 25.2 | -33.6 | 0 | 0 | 0 | 110 | S169 E170 V171 | P167-S169 PolarHBondContact O-N 3.39Å; P167-E170 WeakPolarHBondContact CD-OE2 3.49Å; P167-E170 HydrophobicContact CG-CB 4.07Å; P167-E170 WeakPolarHBondContact O-CB 3.18Å; P167-E170 PolarHBondContact O-N 2.93Å; P167-V171 PolarHBondContact O-N 3.35Å |
| 168 | Y | 53.8 | Low | 67.6 | Low | 186 Ų | 186 | 110.7 Ų | 110.7 | 73% | 0.729 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -56.3 | -27.5 | -176.1 | -134.2 | -92.5 | 0 | 0 | 0 | 112.7 | P166 E170 V171 L172 | P166-Y168 PolarHBondContact O-N 3.49Å; Y168-E170 VanDerWaalsContact C-N 3.34Å; Y168-E170 PolarHBondContact O-N 3.18Å; Y168-V171 PolarHBondContact O-N 2.89Å; Y168-L172 HydrophobicContact CD1-CD1 4.04Å; Y168-L172 HydrophobicContact CD1-CG 4.17Å; Y168-L172 WeakPolarHBondContact O-CB 3.42Å; Y168-L172 VanDerWaalsContact O-CG 3.23Å; Y168-L172 WeakPolarHBondContact O-CG 3.22Å; Y168-L172 PolarHBondContact O-N 3.43Å |
| 169 | S | 70.9 | Confident | 66.9 | Low | 76 Ų | 76 | 118.1 Ų | 118.1 | 53% | 0.531 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.6 | -36.3 | 174.5 | 53 | 0 | 0 | 0 | 0 | 113.4 | P167 L172 T173 | P167-S169 PolarHBondContact O-N 3.39Å; S169-L172 PolarHBondContact O-N 3.38Å; S169-T173 WeakPolarHBondContact O-CG2 3.48Å; S169-T173 PolarHBondContact O-N 2.85Å; S169-T173 PolarHBondContact O-OG1 2.87Å |
| 170 | E | 72.9 | Confident | 66.2 | Low | 116 Ų | 116 | 124.2 Ų | 124.2 | 54% | 0.542 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.8 | -35 | 179.7 | -171.6 | 172.5 | -175.4 | 0 | 0 | 111.3 | P167 Y168 L172 T173 D174 | P167-E170 WeakPolarHBondContact CD-OE2 3.49Å; P167-E170 HydrophobicContact CG-CB 4.07Å; P167-E170 WeakPolarHBondContact O-CB 3.18Å; P167-E170 PolarHBondContact O-N 2.93Å; Y168-E170 VanDerWaalsContact C-N 3.34Å; Y168-E170 PolarHBondContact O-N 3.18Å; E170-L172 VanDerWaalsContact C-N 3.34Å; E170-T173 PolarHBondContact O-OG1 2.95Å; E170-D174 WeakPolarHBondContact O-CB 3.38Å; E170-D174 PolarHBondContact O-N 2.83Å; E170-D174 VanDerWaalsContact O-N 3.14Å |
| 171 | V | 71.8 | Confident | 65.7 | Low | 60 Ų | 60 | 125.3 Ų | 125.3 | 36% | 0.364 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69.2 | -33.5 | 173 | -177 | 0 | 0 | 0 | 0 | 111.6 | P167 Y168 | P167-V171 PolarHBondContact O-N 3.35Å; Y168-V171 PolarHBondContact O-N 2.89Å |
| 172 | L | 66.4 | Low | 65.2 | Low | 133 Ų | 133 | 124.8 Ų | 124.8 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -78 | -28 | 179.1 | -72.2 | 172.8 | 0 | 0 | 0 | 113.4 | Y168 S169 E170 | Y168-L172 HydrophobicContact CD1-CD1 4.04Å; Y168-L172 HydrophobicContact CD1-CG 4.17Å; Y168-L172 WeakPolarHBondContact O-CB 3.42Å; Y168-L172 VanDerWaalsContact O-CG 3.23Å; Y168-L172 WeakPolarHBondContact O-CG 3.22Å; Y168-L172 PolarHBondContact O-N 3.43Å; S169-L172 PolarHBondContact O-N 3.38Å; E170-L172 VanDerWaalsContact C-N 3.34Å |
| 173 | T | 67.2 | Low | 64.3 | Low | 104 Ų | 104 | 126.7 Ų | 126.7 | 64% | 0.638 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -88.1 | -11.1 | 175.9 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | S169 E170 T175 | S169-T173 WeakPolarHBondContact O-CG2 3.48Å; S169-T173 PolarHBondContact O-N 2.85Å; S169-T173 PolarHBondContact O-OG1 2.87Å; E170-T173 PolarHBondContact O-OG1 2.95Å; T173-T175 PolarHBondContact O-N 3.33Å |
| 174 | D | 67.2 | Low | 63.2 | Low | 75 Ų | 75 | 122.4 Ų | 122.4 | 40% | 0.401 | 63% | 0.631 | S | S | . | * | trans | -70.7 | 91.2 | 175 | -172.1 | 10.7 | 0 | 0 | 0 | 111.5 | E170 R176 G177 | E170-D174 WeakPolarHBondContact O-CB 3.38Å; E170-D174 PolarHBondContact O-N 2.83Å; E170-D174 VanDerWaalsContact O-N 3.14Å; D174-R176 PolarHBondContact O-N 3.36Å; D174-R176 WeakPolarHBondContact OD1-CA 3.3Å; D174-R176 WeakPolarHBondContact OD1-CB 2.95Å; D174-R176 PolarHBondContact OD1-N 3.46Å; D174-G177 PolarHBondContact OD1-N 3.32Å | ||
| 175 | T | 61.8 | Low | 62 | Low | 138 Ų | 138 | 122.2 Ų | 122.2 | 85% | 0.847 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -74.2 | -6.6 | 173.1 | 51 | 0 | 0 | 0 | 0 | 113.2 | T173 | T173-T175 PolarHBondContact O-N 3.33Š|
| 176 | R | 65.8 | Low | 60.8 | Low | 236 Ų | 236 | 125.3 Ų | 125.3 | 89% | 0.891 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -88.9 | -28.2 | 179 | -52 | -179.6 | -179.2 | -174.4 | 1.2 | 111.7 | D174 | D174-R176 PolarHBondContact O-N 3.36Å; D174-R176 WeakPolarHBondContact OD1-CA 3.3Å; D174-R176 WeakPolarHBondContact OD1-CB 2.95Å; D174-R176 PolarHBondContact OD1-N 3.46Å |
| 177 | G | 58.2 | Low | 59.7 | Low | 26 Ų | 26 | 127.3 Ų | 127.3 | 27% | 0.268 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -98.2 | 88.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D174 Y179 | D174-G177 PolarHBondContact OD1-N 3.32Å; G177-Y179 PolarHBondContact O-N 2.96Å |
| 178 | L | 57.5 | Low | 58 | Low | 142 Ų | 142 | 129.5 Ų | 129.5 | 74% | 0.743 | 65% | 0.654 | S | S | * | * | trans | -60.9 | 71.6 | 168.2 | -163.9 | 85.4 | 0 | 0 | 0 | 110.3 | R180 | L178-R180 HydrophobicContact CD2-CG 4.17Å; L178-R180 HydrophobicContact CG-CG 4.41Å; L178-R180 PolarHBondContact O-N 3.05Å | ||
| 179 | Y | 51.3 | Low | 57.5 | Low | 194 Ų | 194 | 132 Ų | 132 | 76% | 0.761 | 66% | 0.662 | S | S | * | * | trans | -64.1 | 93.4 | 163.9 | -88.7 | -88.2 | 0 | 0 | 0 | 105.6 | G177 K181 | G177-Y179 PolarHBondContact O-N 2.96Å; Y179-K181 PolarHBondContact O-N 3.23Å | ||
| 180 | R | 53.2 | Low | 56.4 | Low | 208 Ų | 208 | 139.3 Ų | 139.3 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | trans | -59.6 | 80.2 | 162.7 | -75.9 | -177.6 | 172.1 | 143 | -2.3 | 107.1 | L178 I182 | L178-R180 HydrophobicContact CD2-CG 4.17Å; L178-R180 HydrophobicContact CG-CG 4.41Å; L178-R180 PolarHBondContact O-N 3.05Å; R180-I182 PolarHBondContact O-N 2.92Å | ||
| 181 | K | 54.5 | Low | 54.9 | Low | 172 Ų | 172 | 141 Ų | 141 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | trans | -50.7 | 108.7 | 156.2 | -158.1 | -169.1 | -174.6 | -178.7 | 0 | 104 | Y179 V183 | Y179-K181 PolarHBondContact O-N 3.23Å; K181-V183 HydrophobicContact CD-CB 4.23Å; K181-V183 HydrophobicContact CD-CG2 3.58Å; K181-V183 HydrophobicContact CG-CB 4.27Å; K181-V183 HydrophobicContact CG-CG2 3.6Å; K181-V183 PolarHBondContact O-N 2.9Å | ||
| 182 | I | 55.8 | Low | 53.4 | Low | 144 Ų | 144 | 143.7 Ų | 143.7 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | trans | -71.7 | 52.8 | 177 | -43.7 | 169.7 | 0 | 0 | 0 | 108.2 | R180 T184 P185 | R180-I182 PolarHBondContact O-N 2.92Å; I182-T184 VanDerWaalsContact C-N 3.28Å; I182-P185 HydrophobicContact CG2-CB 4.47Å | ||
| 183 | V | 50.8 | Low | 52.3 | Low | 101 Ų | 101 | 142 Ų | 142 | 61% | 0.612 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -85.4 | -5.7 | 177 | 161.4 | 0 | 0 | 0 | 0 | 111.3 | K181 | K181-V183 HydrophobicContact CD-CB 4.23Å; K181-V183 HydrophobicContact CD-CG2 3.58Å; K181-V183 HydrophobicContact CG-CB 4.27Å; K181-V183 HydrophobicContact CG-CG2 3.6Å; K181-V183 PolarHBondContact O-N 2.9Å |
| 184 | T | 46.4 | Very low | 51.2 | Low | 85 Ų | 85 | 146 Ų | 146 | 52% | 0.521 | 73% | 0.73 | S | S | . | * | trans | -151.3 | 101 | 164.4 | 39.8 | 0 | 0 | 0 | 0 | 111.3 | I182 F186 L187 | I182-T184 VanDerWaalsContact C-N 3.28Å; T184-F186 PolarHBondContact O-N 3.45Å; T184-F186 VanDerWaalsContact O-N 3.1Å; T184-L187 HydrophobicContact CG2-CD1 4.13Å; T184-L187 HydrophobicContact CG2-CG 4.43Å | ||
| 185 | P | 50 | Low | 50.4 | Low | 98 Ų | 98 | 152.1 Ų | 152.1 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 7.6 | 167.9 | 27.7 | -26.9 | 0 | 0 | 0 | 112.9 | I182 | I182-P185 HydrophobicContact CG2-CB 4.47Š|
| 186 | F | 48 | Very low | 49.1 | Very low | 180 Ų | 180 | 154.3 Ų | 154.3 | 79% | 0.789 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | -3.9 | -167.1 | -78.2 | -75.9 | 0 | 0 | 0 | 117.1 | T184 | T184-F186 PolarHBondContact O-N 3.45Å; T184-F186 VanDerWaalsContact O-N 3.1Å |
| 187 | L | 51.7 | Low | 48.3 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -104.3 | -21.4 | -176.1 | -67.1 | -179.8 | 0 | 0 | 0 | 115.8 | T184 R189 | T184-L187 HydrophobicContact CG2-CD1 4.13Å; T184-L187 HydrophobicContact CG2-CG 4.43Å; L187-R189 PolarHBondContact O-N 2.76Å |
| 188 | S | 42.4 | Very low | 47.4 | Very low | 120 Ų | 120 | 159.3 Ų | 159.3 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 0.7 | 179.7 | -72.3 | 0 | 0 | 0 | 0 | 115.7 | ||
| 189 | R | 44.2 | Very low | 46.7 | Very low | 238 Ų | 238 | 158 Ų | 158 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -7.7 | 177.9 | -154.3 | 178.4 | -159.7 | -106.2 | 0.3 | 113.9 | L187 | L187-R189 PolarHBondContact O-N 2.76Š|
| 190 | R | 46.4 | Very low | 46.5 | Very low | 230 Ų | 230 | 154.5 Ų | 154.5 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -106.3 | -10.2 | -169.3 | -141.1 | 172.8 | -175 | 129.6 | 0.4 | 115.7 | ||
| 191 | D | 42.4 | Very low | 46 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -115.3 | 18.7 | -169 | -120.1 | -77.3 | 0 | 0 | 0 | 115.2 | ||
| 192 | S | 40.8 | Very low | 45.8 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -131.4 | 21.1 | 173.2 | -58 | 0 | 0 | 0 | 0 | 113.6 | E194 | S192-E194 PolarHBondContact O-N 2.67Š|
| 193 | A | 42.5 | Very low | 44.8 | Very low | 99 Ų | 99 | 151 Ų | 151 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -99.9 | 52.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 194 | E | 45.2 | Very low | 44.3 | Very low | 188 Ų | 188 | 154.4 Ų | 154.4 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -130.1 | 118 | 157.5 | -156.1 | 176 | 103.9 | 0 | 0 | 107.8 | S192 | S192-E194 PolarHBondContact O-N 2.67Š|
| 195 | K | 49.4 | Very low | 44.1 | Very low | 202 Ų | 202 | 154.7 Ų | 154.7 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 81 | 74.8 | 168.7 | -147.8 | -179.8 | -170.6 | -174.4 | 0 | 117.5 | ||
| 196 | Q | 33.9 | Very low | 44.1 | Very low | 184 Ų | 184 | 158.5 Ų | 158.5 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -154.2 | 111 | 130.6 | -157 | 155.1 | -15.7 | 0 | 0 | 111.2 | Q198 | Q196-Q198 PolarHBondContact O-N 3.49Š| ||
| 197 | E | 49.6 | Very low | 43.6 | Very low | 193 Ų | 193 | 158.5 Ų | 158.5 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -64.8 | 112.7 | 171.5 | -168.3 | -175.7 | 114.9 | 0 | 0 | 109.7 | ||||
| 198 | Q | 40.2 | Very low | 43.3 | Very low | 174 Ų | 174 | 160.8 Ų | 160.8 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | -168.1 | 148.3 | 156.2 | -109.3 | 176.7 | 1.5 | 0 | 0 | 110 | Q196 | Q196-Q198 PolarHBondContact O-N 3.49Š| ||
| 199 | P | 42.7 | Very low | 43.1 | Very low | 115 Ų | 115 | 162.8 Ų | 162.8 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | trans | -75.9 | 154.3 | -163 | 29.4 | -32.1 | 0 | 0 | 0 | 113.7 | ||||
| 200 | P | 46.2 | Very low | 42.8 | Very low | 120 Ų | 120 | 162.1 Ų | 162.1 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | trans | -82.7 | 136.1 | -167.2 | 31.4 | -33.2 | 0 | 0 | 0 | 113.3 | S202 | P200-S202 PolarHBondContact O-N 2.86Š| ||
| 201 | P | 43.5 | Very low | 42.6 | Very low | 125 Ų | 125 | 154.2 Ų | 154.2 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -76.2 | 115.6 | 150.8 | 29 | -27 | 0 | 0 | 0 | 108.8 | Y203 | P201-Y203 PolarHBondContact O-N 3.48Š| ||
| 202 | S | 49.8 | Very low | 42.3 | Very low | 113 Ų | 113 | 157.2 Ų | 157.2 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -45.7 | 113.1 | 174.5 | 158.8 | 0 | 0 | 0 | 0 | 113 | P200 | P200-S202 PolarHBondContact O-N 2.86Š| ||
| 203 | Y | 33.8 | Very low | 42.1 | Very low | 213 Ų | 213 | 158.2 Ų | 158.2 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -146.4 | 119.7 | 155.5 | 172.3 | -104.1 | 0 | 0 | 0 | 110.5 | P201 | P201-Y203 PolarHBondContact O-N 3.48Š| ||
| 204 | K | 40.9 | Very low | 41.8 | Very low | 172 Ų | 172 | 157.9 Ų | 157.9 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -72.1 | 128.3 | -174.9 | -66.3 | 169.9 | 178.9 | 170 | 0 | 111.1 | ||||
| 205 | P | 42.8 | Very low | 41.9 | Very low | 92 Ų | 92 | 153.1 Ų | 153.1 | 60% | 0.597 | 80% | 0.795 | S | S | * | * | trans | -90.1 | 117.6 | 170.9 | 32.3 | -27.1 | 0 | 0 | 0 | 110.4 | F207 | P205-F207 HydrophobicContact CB-CD2 4Å; P205-F207 HydrophobicContact CB-CE2 3.89Å; P205-F207 HydrophobicContact CG-CD2 4.35Å; P205-F207 HydrophobicContact CG-CE2 4.28Å; P205-F207 PolarHBondContact O-N 2.89Å | ||
| 206 | L | 49.6 | Very low | 41.6 | Very low | 177 Ų | 177 | 151.1 Ų | 151.1 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | trans | -79 | 99.1 | 167.4 | -70.6 | 175.5 | 0 | 0 | 0 | 108.9 | ||||
| 207 | F | 37 | Very low | 41.9 | Very low | 180 Ų | 180 | 150.6 Ų | 150.6 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | trans | -86.9 | 125.6 | 164.1 | -82.5 | -92.8 | 0 | 0 | 0 | 109 | P205 | P205-F207 HydrophobicContact CB-CD2 4Å; P205-F207 HydrophobicContact CB-CE2 3.89Å; P205-F207 HydrophobicContact CG-CD2 4.35Å; P205-F207 HydrophobicContact CG-CE2 4.28Å; P205-F207 PolarHBondContact O-N 2.89Å | ||
| 208 | L | 45.7 | Very low | 41.4 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -66.6 | 126.5 | 157.6 | -93.6 | 85.7 | 0 | 0 | 0 | 107.9 | ||||
| 209 | D | 37.8 | Very low | 41.3 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -109.6 | 154.9 | 161.6 | -162.4 | 27.2 | 0 | 0 | 0 | 111.3 | ||||
| 210 | R | 39.5 | Very low | 41 | Very low | 225 Ų | 225 | 146.1 Ų | 146.1 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | trans | -106.7 | 118.7 | -144.7 | 171.8 | 109.1 | -177.7 | 176.9 | 1.9 | 110.3 | ||||
| 211 | G | 40.4 | Very low | 40.5 | Very low | 63 Ų | 63 | 144.1 Ų | 144.1 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | trans | 88 | 162.1 | 136.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 212 | Y | 36.2 | Very low | 40.4 | Very low | 214 Ų | 214 | 144.3 Ų | 144.3 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | 77.8 | 83.5 | 167 | -68.5 | -89.9 | 0 | 0 | 0 | 117.7 | ||||
| 213 | N | 38.4 | Very low | 39.9 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | 178.5 | 118.1 | 107.4 | -95.8 | -45.4 | 0 | 0 | 0 | 107.6 | |||||
| 214 | S | 36.1 | Very low | 40.1 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | 58.9 | 95.4 | 97 | -51 | 0 | 0 | 0 | 0 | 109 | |||||
| 215 | A | 45.7 | Very low | 40.4 | Very low | 88 Ų | 88 | 142.4 Ų | 142.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | 61.2 | 123.2 | 90.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 216 | L | 44 | Very low | 40.7 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 83.6 | 98.4 | -179 | -44 | 170.2 | 0 | 0 | 0 | 112.4 | ||||
| 217 | H | 39.6 | Very low | 40.6 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | -166.3 | 124.5 | 101.1 | -106.6 | -99.3 | 0 | 0 | 0 | 109.9 | |||||
| 218 | L | 40 | Very low | 40.6 | Very low | 150 Ų | 150 | 138 Ų | 138 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -41.1 | 157.7 | 158.9 | -67.7 | 140.5 | 0 | 0 | 0 | 111.3 | S220 | L218-S220 VanDerWaalsContact C-N 3.28Å; L218-S220 PolarHBondContact O-N 3.2Å | ||
| 219 | P | 36.7 | Very low | 40.6 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -60.2 | 97.1 | 163.2 | 26.5 | -30.7 | 0 | 0 | 0 | 107.9 | A221 | P219-A221 PolarHBondContact O-N 3.44Š| ||
| 220 | S | 36.6 | Very low | 40.6 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 130.6 | 170.5 | -167.2 | 0 | 0 | 0 | 0 | 107.4 | L218 | L218-S220 VanDerWaalsContact C-N 3.28Å; L218-S220 PolarHBondContact O-N 3.2Å |
| 221 | A | 36.7 | Very low | 40.6 | Very low | 79 Ų | 79 | 129.2 Ų | 129.2 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 160.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P219 R223 | P219-A221 PolarHBondContact O-N 3.44Å; A221-R223 PolarHBondContact O-N 3.48Å |
| 222 | P | 40.2 | Very low | 40.4 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131 | 175.3 | -15.2 | 29.8 | 0 | 0 | 0 | 110 | ||
| 223 | R | 40.6 | Very low | 40.5 | Very low | 238 Ų | 238 | 128.8 Ų | 128.8 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 141.1 | 173.4 | -168 | 177.2 | 174 | 118.6 | 1.3 | 109.8 | A221 | A221-R223 PolarHBondContact O-N 3.48Š|
| 224 | P | 37.6 | Very low | 40.3 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 134.2 | -169.5 | 30.5 | -33.2 | 0 | 0 | 0 | 112.3 | ||
| 225 | A | 46.6 | Very low | 40.1 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -136.5 | 117.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 226 | P | 49.8 | Very low | 39.6 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -110.6 | 169.1 | 165.9 | 36.6 | -26.8 | 0 | 0 | 0 | 111.5 | ||||
| 227 | P | 48 | Very low | 39.2 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | cis | -127.2 | 162.1 | -26 | 35.5 | -19.7 | 0 | 0 | 0 | 112.3 | ||||
| 228 | C | 36.4 | Very low | 39 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | 160.7 | 152.7 | 133.3 | -85.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 229 | P | 46.1 | Very low | 39 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | -114.8 | 169.8 | -125 | 40.3 | -33.8 | 0 | 0 | 0 | 115.8 | |||||
| 230 | A | 37.6 | Very low | 39.3 | Very low | 87 Ų | 87 | 141.1 Ų | 141.1 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | 67.7 | 119.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 231 | L | 40.3 | Very low | 39.7 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | -151.7 | 138.7 | 63.3 | -74.8 | 161.4 | 0 | 0 | 0 | 111.1 | |||||
| 232 | C | 34.7 | Very low | 39.7 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -66.7 | 165 | 174.5 | -65.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 233 | L | 39 | Very low | 40.1 | Very low | 152 Ų | 152 | 145 Ų | 145 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | 95.2 | 132.8 | 160.6 | -56 | 168.7 | 0 | 0 | 0 | 114.5 | ||||
| 234 | Q | 34.6 | Very low | 40.1 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | cis | -179.4 | 117.4 | -7.2 | -177.4 | 160.6 | 23.8 | 0 | 0 | 103.5 | ||||
| 235 | A | 32.4 | Very low | 40.4 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -116.2 | 100.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 236 | D | 34.7 | Very low | 40.3 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -60 | 125.4 | 177.1 | -173.1 | 37.5 | 0 | 0 | 0 | 111.3 | ||||
| 237 | R | 35.2 | Very low | 39.6 | Very low | 234 Ų | 234 | 148.3 Ų | 148.3 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -109.3 | 90.8 | 177.8 | -87.8 | -177.1 | 170.8 | 151.7 | -2 | 109.3 | R239 | R237-R239 PolarHBondContact O-N 3.31Š| ||
| 238 | G | 35.4 | Very low | 39.3 | Very low | 76 Ų | 76 | 148.1 Ų | 148.1 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -68.9 | 93.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 239 | R | 39.8 | Very low | 39.4 | Very low | 216 Ų | 216 | 150.4 Ų | 150.4 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | trans | -83 | 111.5 | 179.3 | -170.2 | 175.6 | 167.2 | -143.6 | -1.7 | 110 | R237 V241 | R237-R239 PolarHBondContact O-N 3.31Å; R239-V241 HydrophobicContact CG-CG2 4.23Å; R239-V241 PolarHBondContact O-N 3.31Å | ||
| 240 | R | 43.8 | Very low | 39.2 | Very low | 231 Ų | 231 | 152.8 Ų | 152.8 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -64.6 | 119.7 | 162 | -78.3 | -166.6 | -76.6 | -129.1 | -0.7 | 109 | ||||
| 241 | V | 44.5 | Very low | 39 | Very low | 108 Ų | 108 | 154 Ų | 154 | 66% | 0.655 | 81% | 0.813 | S | S | * | * | trans | -108.9 | 110.7 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | R239 | R239-V241 HydrophobicContact CG-CG2 4.23Å; R239-V241 PolarHBondContact O-N 3.31Å | ||
| 242 | F | 36.8 | Very low | 38.6 | Very low | 183 Ų | 183 | 150.6 Ų | 150.6 | 80% | 0.803 | 80% | 0.804 | S | S | * | * | trans | -83 | 141.2 | 161.3 | -84.5 | -89.1 | 0 | 0 | 0 | 108.6 | S244 | F242-S244 PolarHBondContact O-N 2.91Š| ||
| 243 | P | 48 | Very low | 38.6 | Very low | 106 Ų | 106 | 155 Ų | 155 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | trans | -79.1 | 114.6 | 176.8 | -8.6 | 25.1 | 0 | 0 | 0 | 111.2 | ||||
| 244 | S | 40.7 | Very low | 38.5 | Very low | 115 Ų | 115 | 154.5 Ų | 154.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -83.3 | 109.7 | 165.3 | 52.8 | 0 | 0 | 0 | 0 | 109.2 | F242 T246 | F242-S244 PolarHBondContact O-N 2.91Å; S244-T246 PolarHBondContact O-N 3.32Å | ||
| 245 | W | 43.1 | Very low | 38.9 | Very low | 237 Ų | 237 | 151.4 Ų | 151.4 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -74.3 | 108.5 | 168.2 | -75.8 | 71.1 | 0 | 0 | 0 | 108.6 | ||||
| 246 | T | 44.7 | Very low | 39.3 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | 150.4 | 96.2 | 151.5 | 52 | 0 | 0 | 0 | 0 | 108.5 | S244 | S244-T246 PolarHBondContact O-N 3.32Š| ||
| 247 | D | 35.3 | Very low | 39.4 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -164.3 | 103.2 | 137.8 | -122.1 | -22.6 | 0 | 0 | 0 | 109.6 | ||||
| 248 | S | 43 | Very low | 39.7 | Very low | 109 Ų | 109 | 150.8 Ų | 150.8 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -113.3 | 115.5 | 158.7 | -72.6 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 249 | E | 38.3 | Very low | 39.9 | Very low | 175 Ų | 175 | 150.5 Ų | 150.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -160.8 | 136.3 | 148.4 | -85.9 | -55.3 | 97.6 | 0 | 0 | 108.3 | ||||
| 250 | L | 42.1 | Very low | 39.9 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -77.6 | 146.4 | -173.6 | -72.2 | 79.5 | 0 | 0 | 0 | 113.1 | ||||
| 251 | S | 32.7 | Very low | 39.6 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -168.4 | 99.6 | 148.6 | -167.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 252 | S | 32.5 | Very low | 39.5 | Very low | 99 Ų | 99 | 151.7 Ų | 151.7 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | 82.7 | 117.7 | 86 | 145.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 253 | R | 33.4 | Very low | 39.9 | Very low | 209 Ų | 209 | 149.5 Ų | 149.5 | 79% | 0.789 | 79% | 0.787 | S | S | * | * | trans | 75.5 | 128.3 | 165.1 | -62.9 | -176.7 | 91.5 | 154.7 | 1.4 | 116.6 | ||||
| 254 | E | 38.2 | Very low | 40.1 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 67% | 0.668 | 79% | 0.793 | S | S | * | * | cis | -174.5 | -172.1 | 9.8 | -152 | 136.4 | 110.4 | 0 | 0 | 105.9 | ||||
| 255 | P | 43.2 | Very low | 40.3 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | -115.5 | 169.5 | -70.6 | 36.3 | -20.9 | 0 | 0 | 0 | 114 | |||||
| 256 | L | 39.9 | Very low | 40.5 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | trans | 65.3 | 98.7 | 149.5 | -148.4 | 79.1 | 0 | 0 | 0 | 118.2 | ||||
| 257 | E | 36.4 | Very low | 40.5 | Very low | 179 Ų | 179 | 145 Ų | 145 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | -153.4 | 126.9 | 129 | -91.3 | -56.2 | 88.3 | 0 | 0 | 108.2 | |||||
| 258 | H | 42.2 | Very low | 41.4 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | -83.3 | 119.8 | -177.5 | -77.4 | 68.7 | 0 | 0 | 0 | 110.2 | ||||
| 259 | G | 39.3 | Very low | 41.7 | Very low | 70 Ų | 70 | 145.6 Ų | 145.6 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 167.8 | 106.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 260 | A | 39.2 | Very low | 41.8 | Very low | 97 Ų | 97 | 147.1 Ų | 147.1 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 75.2 | 68.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | R262 | A260-R262 PolarHBondContact O-N 3.44Š| ||
| 261 | W | 37.4 | Very low | 41.8 | Very low | 246 Ų | 246 | 142.2 Ų | 142.2 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -82.7 | 101.4 | 151.9 | -63.7 | 96.9 | 0 | 0 | 0 | 109.6 | ||||
| 262 | R | 42.3 | Very low | 42.6 | Very low | 238 Ų | 238 | 148.2 Ų | 148.2 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -103.5 | 96.8 | 160.5 | -71.1 | -160.3 | -173.6 | -132.8 | 4.9 | 108.8 | A260 | A260-R262 PolarHBondContact O-N 3.44Š| ||
| 263 | L | 46.4 | Very low | 43.3 | Very low | 136 Ų | 136 | 150 Ų | 150 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | trans | -75.2 | 143.8 | 154.3 | -75.9 | 94.4 | 0 | 0 | 0 | 108.9 | V265 | L263-V265 HydrophobicContact CD2-CG2 4.4Š| ||
| 264 | P | 51.5 | Low | 44.4 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -109.2 | 101.4 | 142.2 | 1.7 | 17.6 | 0 | 0 | 0 | 110 | ||||
| 265 | V | 44.5 | Very low | 44.5 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 70% | 0.697 | 79% | 0.792 | S | S | * | * | trans | -56.1 | 138.5 | 146.7 | -175.4 | 0 | 0 | 0 | 0 | 105.9 | L263 | L263-V265 HydrophobicContact CD2-CG2 4.4Š| ||
| 266 | S | 47.4 | Very low | 44.3 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | 179.7 | 141.5 | 75.3 | -32.3 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 267 | I | 45.6 | Very low | 44.5 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 75% | 0.754 | 83% | 0.828 | S | S | * | * | trans | -72.4 | 133.3 | 166.5 | -62.9 | 148.9 | 0 | 0 | 0 | 108.9 | L269 | I267-L269 PolarHBondContact O-N 3.26Š| ||
| 268 | P | 54.4 | Low | 44.9 | Very low | 127 Ų | 127 | 148.8 Ų | 148.8 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -82.3 | 100.9 | 167.9 | 29.8 | -28.2 | 0 | 0 | 0 | 110.1 | ||||
| 269 | L | 49.3 | Very low | 45.1 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 82% | 0.817 | 83% | 0.83 | S | S | * | * | trans | -77.3 | 123.2 | 162.9 | -79.3 | 164.2 | 0 | 0 | 0 | 109.8 | I267 | I267-L269 PolarHBondContact O-N 3.26Š| ||
| 270 | F | 39.5 | Very low | 45.4 | Very low | 207 Ų | 207 | 152.2 Ų | 152.2 | 91% | 0.908 | 84% | 0.837 | S | S | * | * | trans | 33.4 | 120.3 | 135.3 | -142.3 | -102.7 | 0 | 0 | 0 | 119.7 | ||||
| 271 | G | 41.6 | Very low | 45.8 | Very low | 62 Ų | 62 | 155.6 Ų | 155.6 | 64% | 0.639 | 84% | 0.839 | S | S | * | * | trans | 100.9 | 106.9 | 141.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 272 | R | 49.6 | Very low | 46.4 | Very low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -162.1 | 102.3 | 142.9 | -109.8 | 168.8 | 166.5 | 108.4 | 1.6 | 110.9 | ||||
| 273 | T | 48.3 | Very low | 46.7 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | -64.7 | 127.6 | 156.4 | 49.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 274 | T | 56.2 | Low | 46.7 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 79% | 0.791 | 84% | 0.837 | S | S | * | * | trans | -145 | 118.9 | 153.1 | 58.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 275 | A | 40.2 | Very low | 46.3 | Very low | 98 Ų | 98 | 145.2 Ų | 145.2 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -66.2 | 140.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 276 | V | 38.9 | Very low | 46.5 | Very low | 218 Ų | 218 | 147.9 Ų | 147.9 | 100% | 1.321 | 85% | 0.85 | S | S | * | * | trans | -148.8 | 0 | 143.7 | -178 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 276 of 276 residues in 46.7 ms
(Link to these results)