| 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 | 67.3 | Low | 89.4 | Confident | 205 Ų | 205 | 111.5 Ų | 111.5 | 100% | 1.01 | 58% | 0.584 | S | S | * | * | 0 | 122.8 | 0 | -76.6 | -169 | 176.9 | 0 | 0 | 108.3 | |||||
| 2 | D | 84.3 | Confident | 89.8 | Confident | 126 Ų | 126 | 115.1 Ų | 115.1 | 67% | 0.674 | 59% | 0.591 | S | S | * | * | trans | -74 | 152.2 | -172.5 | -43.3 | -72.5 | 0 | 0 | 0 | 111.8 | A4 C5 R6 | D2-A4 PolarHBondContact O-N 3.3Å; D2-A4 VanDerWaalsContact O-N 3.14Å; D2-C5 WeakPolarHBondContact O-CB 3Å; D2-C5 PolarHBondContact O-N 3.46Å; D2-R6 PolarHBondContact O-N 3.23Å | ||
| 3 | G | 90.3 | Very high | 90.3 | Very high | 49 Ų | 49 | 113 Ų | 113 | 51% | 0.505 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -55 | -35.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | C5 R6 I7 | G3-C5 VanDerWaalsContact C-N 3.3Å; G3-C5 PolarHBondContact O-N 2.98Å; G3-R6 PolarHBondContact O-N 3.4Å; G3-I7 WeakPolarHBondContact O-CG1 3.35Å; G3-I7 PolarHBondContact O-N 3.46Å |
| 4 | A | 90.2 | Very high | 90.7 | Very high | 63 Ų | 63 | 109.8 Ų | 109.8 | 52% | 0.521 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.2 | -34.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D2 K8 | D2-A4 PolarHBondContact O-N 3.3Å; D2-A4 VanDerWaalsContact O-N 3.14Å; A4-K8 VanDerWaalsContact O-CG 3.32Å; A4-K8 WeakPolarHBondContact O-CG 3.48Å; A4-K8 PolarHBondContact O-N 3.38Å; A4-K8 VanDerWaalsContact O-N 3.08Å |
| 5 | C | 91.2 | Very high | 91 | Very high | 66 Ų | 66 | 112.7 Ų | 112.7 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.5 | -46.7 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | D2 G3 I7 K8 A9 | D2-C5 WeakPolarHBondContact O-CB 3Å; D2-C5 PolarHBondContact O-N 3.46Å; G3-C5 VanDerWaalsContact C-N 3.3Å; G3-C5 PolarHBondContact O-N 2.98Å; C5-I7 PolarHBondContact O-N 3.1Å; C5-K8 PolarHBondContact O-N 3.34Å; C5-A9 PolarHBondContact O-N 3.24Å |
| 6 | R | 92.5 | Very high | 91.4 | Very high | 144 Ų | 144 | 107.9 Ų | 107.9 | 54% | 0.543 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.9 | -43.7 | 175.7 | -68.6 | -173.4 | 66.3 | -172 | -2.1 | 112.1 | D2 G3 K8 A9 Y10 | D2-R6 PolarHBondContact O-N 3.23Å; G3-R6 PolarHBondContact O-N 3.4Å; R6-K8 PolarHBondContact O-N 2.99Å; R6-A9 PolarHBondContact O-N 3.02Å; R6-Y10 HydrophobicContact CB-CD2 4.46Å; R6-Y10 HydrophobicContact CB-CE2 4.28Å; R6-Y10 PolarHBondContact NH2-OH 3.11Å; R6-Y10 WeakPolarHBondContact O-CD2 3.1Å; R6-Y10 PolarHBondContact O-N 3.08Å |
| 7 | I | 93.3 | Very high | 91.7 | Very high | 101 Ų | 101 | 104.5 Ų | 104.5 | 52% | 0.518 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.5 | -41.1 | 178.4 | -67.3 | 164.6 | 0 | 0 | 0 | 111.2 | G3 C5 K11 | G3-I7 WeakPolarHBondContact O-CG1 3.35Å; G3-I7 PolarHBondContact O-N 3.46Å; C5-I7 PolarHBondContact O-N 3.1Å; I7-K11 HydrophobicContact CG2-CD 4.43Å; I7-K11 WeakPolarHBondContact O-CB 3.23Å; I7-K11 WeakPolarHBondContact O-CG 3.27Å; I7-K11 PolarHBondContact O-N 3.28Å |
| 8 | K | 92.4 | Very high | 92 | Very high | 156 Ų | 156 | 101.6 Ų | 101.6 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61 | -43.5 | 173.5 | -75.3 | 175.3 | 179.9 | -176.7 | 0 | 111.8 | A4 C5 R6 K11 F12 | A4-K8 VanDerWaalsContact O-CG 3.32Å; A4-K8 WeakPolarHBondContact O-CG 3.48Å; A4-K8 PolarHBondContact O-N 3.38Å; A4-K8 VanDerWaalsContact O-N 3.08Å; C5-K8 PolarHBondContact O-N 3.34Å; R6-K8 PolarHBondContact O-N 2.99Å; K8-K11 PolarHBondContact O-N 3.11Å; K8-F12 WeakPolarHBondContact O-CB 3.34Å; K8-F12 PolarHBondContact O-N 3Å |
| 9 | A | 93.3 | Very high | 92.2 | Very high | 54 Ų | 54 | 100.6 Ų | 100.6 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C5 R6 K11 F12 V13 | C5-A9 PolarHBondContact O-N 3.24Å; R6-A9 PolarHBondContact O-N 3.02Å; A9-K11 VanDerWaalsContact C-N 3.33Å; A9-K11 PolarHBondContact O-N 2.78Å; A9-F12 PolarHBondContact O-N 3.22Å; A9-V13 WeakPolarHBondContact O-CG2 3.46Å; A9-V13 PolarHBondContact O-N 3.2Å |
| 10 | Y | 94.2 | Very high | 92.4 | Very high | 148 Ų | 148 | 103 Ų | 103 | 58% | 0.58 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.1 | -40.9 | 175.7 | -73.3 | -62.3 | 0 | 0 | 0 | 112.1 | R6 V13 S14 | R6-Y10 HydrophobicContact CB-CD2 4.46Å; R6-Y10 HydrophobicContact CB-CE2 4.28Å; R6-Y10 PolarHBondContact NH2-OH 3.11Å; R6-Y10 WeakPolarHBondContact O-CD2 3.1Å; R6-Y10 PolarHBondContact O-N 3.08Å; Y10-V13 PolarHBondContact O-N 3Å; Y10-S14 WeakPolarHBondContact O-CB 3.3Å; Y10-S14 PolarHBondContact O-N 3.1Å; Y10-S14 PolarHBondContact O-OG 3.38Å |
| 11 | K | 94.3 | Very high | 92.7 | Very high | 115 Ų | 115 | 101.8 Ų | 101.8 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60 | -49.8 | 174 | -78.3 | -171.8 | 177.2 | -167.9 | 0 | 111.3 | I7 K8 A9 V13 S14 Y15 | I7-K11 HydrophobicContact CG2-CD 4.43Å; I7-K11 WeakPolarHBondContact O-CB 3.23Å; I7-K11 WeakPolarHBondContact O-CG 3.27Å; I7-K11 PolarHBondContact O-N 3.28Å; K8-K11 PolarHBondContact O-N 3.11Å; A9-K11 VanDerWaalsContact C-N 3.33Å; A9-K11 PolarHBondContact O-N 2.78Å; K11-V13 VanDerWaalsContact C-N 3.34Å; K11-V13 PolarHBondContact O-N 3.36Å; K11-S14 WeakPolarHBondContact CA-OG 3.47Å; K11-S14 PolarHBondContact O-N 3.22Å; K11-S14 VanDerWaalsContact O-N 3.13Å; K11-S14 PolarHBondContact O-OG 3.46Å; K11-Y15 HydrophobicContact CB-CD2 4.29Å; K11-Y15 HydrophobicContact CB-CE2 3.99Å; K11-Y15 WeakPolarHBondContact O-CD2 3.03Å; K11-Y15 PolarHBondContact O-N 3.01Å |
| 12 | F | 94.6 | Very high | 94.1 | Very high | 154 Ų | 154 | 96.2 Ų | 96.2 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -56 | -45 | 177.5 | -178.5 | -100.1 | 0 | 0 | 0 | 112.6 | K8 A9 Y15 S16 | K8-F12 WeakPolarHBondContact O-CB 3.34Å; K8-F12 PolarHBondContact O-N 3Å; A9-F12 PolarHBondContact O-N 3.22Å; F12-Y15 PolarHBondContact O-N 3.11Å; F12-S16 PolarHBondContact O-N 3.47Å; F12-S16 PolarHBondContact O-OG 3.39Å |
| 13 | V | 95.7 | Very high | 94.7 | Very high | 88 Ų | 88 | 94.6 Ų | 94.6 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 176 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | A9 Y10 K11 S16 A17 | A9-V13 WeakPolarHBondContact O-CG2 3.46Å; A9-V13 PolarHBondContact O-N 3.2Å; Y10-V13 PolarHBondContact O-N 3Å; K11-V13 VanDerWaalsContact C-N 3.34Å; K11-V13 PolarHBondContact O-N 3.36Å; V13-S16 PolarHBondContact O-OG 3.4Å; V13-S16 VanDerWaalsContact O-OG 3.1Å; V13-A17 VanDerWaalsContact O-CB 3.27Å; V13-A17 WeakPolarHBondContact O-CB 3.23Å; V13-A17 PolarHBondContact O-N 3.46Å |
| 14 | S | 96 | Very high | 95.1 | Very high | 68 Ų | 68 | 95.1 Ų | 95.1 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 176.8 | 69 | 0 | 0 | 0 | 0 | 112.7 | Y10 K11 A18 | Y10-S14 WeakPolarHBondContact O-CB 3.3Å; Y10-S14 PolarHBondContact O-N 3.1Å; Y10-S14 PolarHBondContact O-OG 3.38Å; K11-S14 WeakPolarHBondContact CA-OG 3.47Å; K11-S14 PolarHBondContact O-N 3.22Å; K11-S14 VanDerWaalsContact O-N 3.13Å; K11-S14 PolarHBondContact O-OG 3.46Å; S14-A18 VanDerWaalsContact O-CB 3.29Å; S14-A18 WeakPolarHBondContact O-CB 3.23Å; S14-A18 PolarHBondContact O-N 3.22Å |
| 15 | Y | 96.2 | Very high | 95.4 | Very high | 153 Ų | 153 | 96.4 Ų | 96.4 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.7 | -44.1 | 175.4 | -69.8 | -53.7 | 0 | 0 | 0 | 111.7 | K11 F12 A18 T19 | K11-Y15 HydrophobicContact CB-CD2 4.29Å; K11-Y15 HydrophobicContact CB-CE2 3.99Å; K11-Y15 WeakPolarHBondContact O-CD2 3.03Å; K11-Y15 PolarHBondContact O-N 3.01Å; F12-Y15 PolarHBondContact O-N 3.11Å; Y15-A18 PolarHBondContact O-N 2.99Å; Y15-T19 WeakPolarHBondContact O-CG2 3.46Å; Y15-T19 PolarHBondContact O-N 3.48Å; Y15-T19 PolarHBondContact O-OG1 3.12Å |
| 16 | S | 96.2 | Very high | 95.7 | Very high | 37 Ų | 37 | 98 Ų | 98 | 26% | 0.259 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 177.4 | 65.2 | 0 | 0 | 0 | 0 | 111 | F12 V13 A18 T19 F20 | F12-S16 PolarHBondContact O-N 3.47Å; F12-S16 PolarHBondContact O-OG 3.39Å; V13-S16 PolarHBondContact O-OG 3.4Å; V13-S16 VanDerWaalsContact O-OG 3.1Å; S16-A18 PolarHBondContact O-N 3.46Å; S16-T19 WeakPolarHBondContact CA-OG1 3.32Å; S16-T19 PolarHBondContact O-N 3.36Å; S16-T19 VanDerWaalsContact O-N 3.17Å; S16-T19 PolarHBondContact O-OG1 2.86Å; S16-F20 WeakPolarHBondContact O-CD2 3.39Å; S16-F20 PolarHBondContact O-N 3.25Å |
| 17 | A | 96.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 94.6 Ų | 94.6 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.5 | -46.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V13 T19 F20 S21 | V13-A17 VanDerWaalsContact O-CB 3.27Å; V13-A17 WeakPolarHBondContact O-CB 3.23Å; V13-A17 PolarHBondContact O-N 3.46Å; A17-T19 PolarHBondContact O-N 3.01Å; A17-F20 PolarHBondContact O-N 3.03Å; A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 2.96Å |
| 18 | A | 96.7 | Very high | 96.1 | Very high | 52 Ų | 52 | 91.7 Ų | 91.7 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S14 Y15 S16 S21 V22 | S14-A18 VanDerWaalsContact O-CB 3.29Å; S14-A18 WeakPolarHBondContact O-CB 3.23Å; S14-A18 PolarHBondContact O-N 3.22Å; Y15-A18 PolarHBondContact O-N 2.99Å; S16-A18 PolarHBondContact O-N 3.46Å; A18-S21 PolarHBondContact O-N 2.82Å; A18-V22 WeakPolarHBondContact O-CG2 3.35Å; A18-V22 PolarHBondContact O-N 2.85Å |
| 19 | T | 96.6 | Very high | 96.3 | Very high | 83 Ų | 83 | 88 Ų | 88 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 176.3 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | Y15 S16 A17 V22 V23 | Y15-T19 WeakPolarHBondContact O-CG2 3.46Å; Y15-T19 PolarHBondContact O-N 3.48Å; Y15-T19 PolarHBondContact O-OG1 3.12Å; S16-T19 WeakPolarHBondContact CA-OG1 3.32Å; S16-T19 PolarHBondContact O-N 3.36Å; S16-T19 VanDerWaalsContact O-N 3.17Å; S16-T19 PolarHBondContact O-OG1 2.86Å; A17-T19 PolarHBondContact O-N 3.01Å; T19-V22 PolarHBondContact O-N 3.37Å; T19-V23 WeakPolarHBondContact O-CB 3.46Å; T19-V23 VanDerWaalsContact O-CG2 3.27Å; T19-V23 WeakPolarHBondContact O-CG2 3.15Å; T19-V23 PolarHBondContact O-N 3.49Å |
| 20 | F | 97 | Very high | 96.4 | Very high | 149 Ų | 149 | 91.2 Ų | 91.2 | 65% | 0.654 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 174.6 | -72.5 | -58.9 | 0 | 0 | 0 | 112 | S16 A17 V23 A24 | S16-F20 WeakPolarHBondContact O-CD2 3.39Å; S16-F20 PolarHBondContact O-N 3.25Å; A17-F20 PolarHBondContact O-N 3.03Å; F20-V23 PolarHBondContact O-N 2.87Å; F20-A24 VanDerWaalsContact O-CB 3.29Å; F20-A24 WeakPolarHBondContact O-CB 3.35Å; F20-A24 PolarHBondContact O-N 3.46Å |
| 21 | S | 97.2 | Very high | 96.5 | Very high | 78 Ų | 78 | 86.3 Ų | 86.3 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 174.6 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | A17 A18 A24 V25 | A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 2.96Å; A18-S21 PolarHBondContact O-N 2.82Å; S21-A24 PolarHBondContact O-N 2.82Å; S21-V25 WeakPolarHBondContact O-CG2 3.2Å; S21-V25 PolarHBondContact O-N 3.19Å |
| 22 | V | 97.4 | Very high | 96.6 | Very high | 87 Ų | 87 | 86.2 Ų | 86.2 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 177.5 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | A18 T19 A24 V25 L26 | A18-V22 WeakPolarHBondContact O-CG2 3.35Å; A18-V22 PolarHBondContact O-N 2.85Å; T19-V22 PolarHBondContact O-N 3.37Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.4Å; V22-V25 PolarHBondContact O-N 2.86Å; V22-L26 HydrophobicContact CG1-CD1 3.86Å; V22-L26 HydrophobicContact CG1-CG 4.36Å; V22-L26 WeakPolarHBondContact O-CB 3.14Å; V22-L26 VanDerWaalsContact O-CG 3.31Å; V22-L26 WeakPolarHBondContact O-CG 3.38Å; V22-L26 PolarHBondContact O-N 2.92Å |
| 23 | V | 97.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 82.5 Ų | 82.5 | 56% | 0.558 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 176.9 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | T19 F20 L26 S27 | T19-V23 WeakPolarHBondContact O-CB 3.46Å; T19-V23 VanDerWaalsContact O-CG2 3.27Å; T19-V23 WeakPolarHBondContact O-CG2 3.15Å; T19-V23 PolarHBondContact O-N 3.49Å; F20-V23 PolarHBondContact O-N 2.87Å; V23-L26 PolarHBondContact O-N 2.86Å; V23-S27 VanDerWaalsContact O-CB 3.25Å; V23-S27 WeakPolarHBondContact O-CB 3.46Å; V23-S27 PolarHBondContact O-N 3.32Å |
| 24 | A | 97.4 | Very high | 96.8 | Very high | 61 Ų | 61 | 83 Ų | 83 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F20 S21 V22 S27 A28 | F20-A24 VanDerWaalsContact O-CB 3.29Å; F20-A24 WeakPolarHBondContact O-CB 3.35Å; F20-A24 PolarHBondContact O-N 3.46Å; S21-A24 PolarHBondContact O-N 2.82Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.4Å; A24-S27 PolarHBondContact O-N 3.37Å; A24-A28 PolarHBondContact O-N 3.1Å |
| 25 | V | 97.6 | Very high | 96.8 | Very high | 90 Ų | 90 | 83.9 Ų | 83.9 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 176 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | S21 V22 S27 A28 C29 | S21-V25 WeakPolarHBondContact O-CG2 3.2Å; S21-V25 PolarHBondContact O-N 3.19Å; V22-V25 PolarHBondContact O-N 2.86Å; V25-S27 VanDerWaalsContact C-N 3.32Å; V25-S27 PolarHBondContact O-N 3.13Å; V25-A28 WeakPolarHBondContact O-CB 3.22Å; V25-A28 PolarHBondContact O-N 3.46Å; V25-C29 PolarHBondContact O-N 2.83Å; V25-C29 PolarHBondContact O-SG 3.3Å |
| 26 | L | 96.7 | Very high | 96.8 | Very high | 99 Ų | 99 | 83.9 Ų | 83.9 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 176.6 | -69.9 | 172.2 | 0 | 0 | 0 | 111.9 | V22 V23 C29 I30 | V22-L26 HydrophobicContact CG1-CD1 3.86Å; V22-L26 HydrophobicContact CG1-CG 4.36Å; V22-L26 WeakPolarHBondContact O-CB 3.14Å; V22-L26 VanDerWaalsContact O-CG 3.31Å; V22-L26 WeakPolarHBondContact O-CG 3.38Å; V22-L26 PolarHBondContact O-N 2.92Å; V23-L26 PolarHBondContact O-N 2.86Å; L26-C29 PolarHBondContact O-N 3.13Å; L26-I30 WeakPolarHBondContact O-CG1 3.39Å; L26-I30 PolarHBondContact O-N 2.96Å |
| 27 | S | 96.9 | Very high | 96.8 | Very high | 72 Ų | 72 | 87.5 Ų | 87.5 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 174.2 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | V23 A24 V25 I30 S31 | V23-S27 VanDerWaalsContact O-CB 3.25Å; V23-S27 WeakPolarHBondContact O-CB 3.46Å; V23-S27 PolarHBondContact O-N 3.32Å; A24-S27 PolarHBondContact O-N 3.37Å; V25-S27 VanDerWaalsContact C-N 3.32Å; V25-S27 PolarHBondContact O-N 3.13Å; S27-I30 PolarHBondContact O-N 3.09Å; S27-S31 WeakPolarHBondContact O-CB 3.05Å; S27-S31 PolarHBondContact O-N 2.04Å; S27-S31 PolarHBondContact O-OG 3.39Å |
| 28 | A | 97 | Very high | 96.8 | Very high | 41 Ų | 41 | 91.4 Ų | 91.4 | 34% | 0.339 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A24 V25 I30 S31 L32 | A24-A28 PolarHBondContact O-N 3.1Å; V25-A28 WeakPolarHBondContact O-CB 3.22Å; V25-A28 PolarHBondContact O-N 3.46Å; A28-I30 VanDerWaalsContact C-N 3.26Å; A28-I30 PolarHBondContact O-N 3.24Å; A28-S31 WeakPolarHBondContact CA-OG 3.14Å; A28-S31 PolarHBondContact O-N 3.24Å; A28-S31 PolarHBondContact O-OG 3.05Å; A28-L32 WeakPolarHBondContact O-CB 3.3Å; A28-L32 VanDerWaalsContact O-CG 3.28Å; A28-L32 WeakPolarHBondContact O-CG 3.46Å; A28-L32 PolarHBondContact O-N 3.12Å |
| 29 | C | 96.9 | Very high | 96.8 | Very high | 78 Ų | 78 | 92.7 Ų | 92.7 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -27.8 | 178.1 | -69.2 | 0 | 0 | 0 | 0 | 113.7 | V25 L26 P33 | V25-C29 PolarHBondContact O-N 2.83Å; V25-C29 PolarHBondContact O-SG 3.3Å; L26-C29 PolarHBondContact O-N 3.13Å; C29-P33 WeakPolarHBondContact O-CD 3.32Å; C29-P33 VanDerWaalsContact O-CG 3.31Å; C29-P33 WeakPolarHBondContact O-CG 3.11Å |
| 30 | I | 96.3 | Very high | 96.7 | Very high | 121 Ų | 121 | 92 Ų | 92 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -86.6 | -40.3 | 175.9 | -65.7 | 164.9 | 0 | 0 | 0 | 111.3 | L26 S27 A28 V34 | L26-I30 WeakPolarHBondContact O-CG1 3.39Å; L26-I30 PolarHBondContact O-N 2.96Å; S27-I30 PolarHBondContact O-N 3.09Å; A28-I30 VanDerWaalsContact C-N 3.26Å; A28-I30 PolarHBondContact O-N 3.24Å; I30-V34 WeakPolarHBondContact O-CG2 3.44Å |
| 31 | S | 96.5 | Very high | 96.6 | Very high | 45 Ų | 45 | 89.4 Ų | 89.4 | 32% | 0.315 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.8 | -37.6 | -177.6 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | S27 A28 V34 I35 | S27-S31 WeakPolarHBondContact O-CB 3.05Å; S27-S31 PolarHBondContact O-N 2.04Å; S27-S31 PolarHBondContact O-OG 3.39Å; A28-S31 WeakPolarHBondContact CA-OG 3.14Å; A28-S31 PolarHBondContact O-N 3.24Å; A28-S31 PolarHBondContact O-OG 3.05Å; S31-V34 PolarHBondContact O-N 2.92Å; S31-I35 WeakPolarHBondContact O-CB 3.41Å; S31-I35 VanDerWaalsContact O-CG1 3.27Å; S31-I35 WeakPolarHBondContact O-CG1 3.1Å; S31-I35 PolarHBondContact O-N 3.11Å |
| 32 | L | 96.5 | Very high | 96.5 | Very high | 114 Ų | 114 | 87.8 Ų | 87.8 | 60% | 0.597 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -46.2 | -178.6 | -73.1 | 168.5 | 0 | 0 | 0 | 113.5 | A28 V34 I35 Y36 | A28-L32 WeakPolarHBondContact O-CB 3.3Å; A28-L32 VanDerWaalsContact O-CG 3.28Å; A28-L32 WeakPolarHBondContact O-CG 3.46Å; A28-L32 PolarHBondContact O-N 3.12Å; L32-V34 PolarHBondContact O-N 3.18Å; L32-I35 PolarHBondContact O-N 2.93Å; L32-Y36 WeakPolarHBondContact O-CB 3.4Å; L32-Y36 PolarHBondContact O-N 3.14Å |
| 33 | P | 96.3 | Very high | 96.4 | Very high | 76 Ų | 76 | 88.7 Ų | 88.7 | 49% | 0.494 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 173.4 | -24.7 | 35.3 | 0 | 0 | 0 | 113.9 | C29 Y36 N37 | C29-P33 WeakPolarHBondContact O-CD 3.32Å; C29-P33 VanDerWaalsContact O-CG 3.31Å; C29-P33 WeakPolarHBondContact O-CG 3.11Å; P33-Y36 PolarHBondContact O-N 3.05Å; P33-N37 VanDerWaalsContact O-CB 3.32Å; P33-N37 WeakPolarHBondContact O-CB 3.06Å; P33-N37 PolarHBondContact O-N 3.44Å |
| 34 | V | 96.5 | Very high | 96.2 | Very high | 98 Ų | 98 | 89.5 Ų | 89.5 | 59% | 0.594 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.1 | -44 | 178.1 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | I30 S31 L32 N37 Y38 | I30-V34 WeakPolarHBondContact O-CG2 3.44Å; S31-V34 PolarHBondContact O-N 2.92Å; L32-V34 PolarHBondContact O-N 3.18Å; V34-N37 PolarHBondContact O-N 3.41Å; V34-Y38 WeakPolarHBondContact O-CB 3.13Å; V34-Y38 PolarHBondContact O-N 3.43Å |
| 35 | I | 96.6 | Very high | 96 | Very high | 87 Ų | 87 | 90.6 Ų | 90.6 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 174.9 | -68.5 | 164.3 | 0 | 0 | 0 | 110.5 | S31 L32 Y38 I39 | S31-I35 WeakPolarHBondContact O-CB 3.41Å; S31-I35 VanDerWaalsContact O-CG1 3.27Å; S31-I35 WeakPolarHBondContact O-CG1 3.1Å; S31-I35 PolarHBondContact O-N 3.11Å; L32-I35 PolarHBondContact O-N 2.93Å; I35-Y38 PolarHBondContact O-N 3.1Å; I35-I39 HydrophobicContact CG2-CD1 3.77Å; I35-I39 HydrophobicContact CG2-CG1 4.48Å; I35-I39 WeakPolarHBondContact O-CB 3.33Å; I35-I39 VanDerWaalsContact O-CG1 3.27Å; I35-I39 WeakPolarHBondContact O-CG1 3.32Å; I35-I39 PolarHBondContact O-N 3.33Å |
| 36 | Y | 96.5 | Very high | 95.7 | Very high | 152 Ų | 152 | 91.2 Ų | 91.2 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.9 | -46.6 | 176.9 | -175.5 | -88.8 | 0 | 0 | 0 | 112 | L32 P33 I39 Q40 | L32-Y36 WeakPolarHBondContact O-CB 3.4Å; L32-Y36 PolarHBondContact O-N 3.14Å; P33-Y36 PolarHBondContact O-N 3.05Å; Y36-I39 PolarHBondContact O-N 3.06Å; Y36-Q40 HydrophobicContact CD1-CG 4.1Å; Y36-Q40 HydrophobicContact CE1-CG 3.7Å; Y36-Q40 WeakPolarHBondContact O-CG 3.49Å; Y36-Q40 PolarHBondContact O-N 3.42Å; Y36-Q40 PolarHBondContact OH-NE2 2.88Å |
| 37 | N | 95.9 | Very high | 95.6 | Very high | 113 Ų | 113 | 92.7 Ų | 92.7 | 60% | 0.604 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.9 | -47 | 176.3 | -172.2 | -35.8 | 0 | 0 | 0 | 110.9 | P33 V34 I39 Q40 H41 | P33-N37 VanDerWaalsContact O-CB 3.32Å; P33-N37 WeakPolarHBondContact O-CB 3.06Å; P33-N37 PolarHBondContact O-N 3.44Å; V34-N37 PolarHBondContact O-N 3.41Å; N37-I39 PolarHBondContact O-N 3.39Å; N37-Q40 PolarHBondContact O-N 3.08Å; N37-Q40 VanDerWaalsContact O-N 3.12Å; N37-H41 PolarHBondContact O-N 3.43Å |
| 38 | Y | 96.4 | Very high | 95.4 | Very high | 131 Ų | 131 | 96 Ų | 96 | 51% | 0.514 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.1 | -45.5 | 175.7 | -177.7 | -103.1 | 0 | 0 | 0 | 112.4 | V34 I35 Q40 H41 V42 | V34-Y38 WeakPolarHBondContact O-CB 3.13Å; V34-Y38 PolarHBondContact O-N 3.43Å; I35-Y38 PolarHBondContact O-N 3.1Å; Y38-Q40 VanDerWaalsContact C-N 3.34Å; Y38-Q40 PolarHBondContact O-N 3.01Å; Y38-H41 PolarHBondContact O-N 3.29Å; Y38-V42 HydrophobicContact CD1-CG2 4.28Å; Y38-V42 HydrophobicContact CD2-CG2 4.45Å; Y38-V42 HydrophobicContact CE1-CG2 3.92Å; Y38-V42 HydrophobicContact CE2-CG2 4.11Å; Y38-V42 WeakPolarHBondContact O-CB 3.3Å; Y38-V42 VanDerWaalsContact O-CG2 3.28Å; Y38-V42 WeakPolarHBondContact O-CG2 3.48Å; Y38-V42 PolarHBondContact O-N 3.37Å |
| 39 | I | 96.5 | Very high | 95.1 | Very high | 79 Ų | 79 | 97.8 Ų | 97.8 | 41% | 0.405 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 176.3 | -70.6 | 166.9 | 0 | 0 | 0 | 111.4 | I35 Y36 N37 K43 | I35-I39 HydrophobicContact CG2-CD1 3.77Å; I35-I39 HydrophobicContact CG2-CG1 4.48Å; I35-I39 WeakPolarHBondContact O-CB 3.33Å; I35-I39 VanDerWaalsContact O-CG1 3.27Å; I35-I39 WeakPolarHBondContact O-CG1 3.32Å; I35-I39 PolarHBondContact O-N 3.33Å; Y36-I39 PolarHBondContact O-N 3.06Å; N37-I39 PolarHBondContact O-N 3.39Å; I39-K43 HydrophobicContact CG2-CD 4.26Å; I39-K43 WeakPolarHBondContact O-CB 3.02Å; I39-K43 VanDerWaalsContact O-CG 3.31Å; I39-K43 WeakPolarHBondContact O-CG 3.43Å; I39-K43 PolarHBondContact O-N 3.37Å |
| 40 | Q | 95.5 | Very high | 94.8 | Very high | 69 Ų | 69 | 99.6 Ų | 99.6 | 32% | 0.322 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 176.5 | -67.7 | -68.5 | 19.2 | 0 | 0 | 112.2 | Y36 N37 Y38 V42 K43 L44 | Y36-Q40 HydrophobicContact CD1-CG 4.1Å; Y36-Q40 HydrophobicContact CE1-CG 3.7Å; Y36-Q40 WeakPolarHBondContact O-CG 3.49Å; Y36-Q40 PolarHBondContact O-N 3.42Å; Y36-Q40 PolarHBondContact OH-NE2 2.88Å; N37-Q40 PolarHBondContact O-N 3.08Å; N37-Q40 VanDerWaalsContact O-N 3.12Å; Y38-Q40 VanDerWaalsContact C-N 3.34Å; Y38-Q40 PolarHBondContact O-N 3.01Å; Q40-V42 VanDerWaalsContact C-N 3.34Å; Q40-V42 PolarHBondContact O-N 3.01Å; Q40-K43 PolarHBondContact O-N 2.99Å; Q40-L44 WeakPolarHBondContact O-CB 3.38Å; Q40-L44 WeakPolarHBondContact O-CG 3.33Å; Q40-L44 PolarHBondContact O-N 3.03Å |
| 41 | H | 95.1 | Very high | 94.5 | Very high | 95 Ų | 95 | 100.2 Ų | 100.2 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 174.2 | -174.3 | -78.1 | 0 | 0 | 0 | 111.3 | N37 Y38 K43 L44 Q45 | N37-H41 PolarHBondContact O-N 3.43Å; Y38-H41 PolarHBondContact O-N 3.29Å; H41-K43 PolarHBondContact O-N 3.29Å; H41-L44 PolarHBondContact O-N 3.44Å; H41-Q45 WeakPolarHBondContact O-CB 3.46Å; H41-Q45 PolarHBondContact O-N 3.04Å |
| 42 | V | 95.2 | Very high | 94.1 | Very high | 43 Ų | 43 | 103.9 Ų | 103.9 | 26% | 0.261 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 177.4 | 165.4 | 0 | 0 | 0 | 0 | 111.9 | Y38 Q40 Q45 M46 | Y38-V42 HydrophobicContact CD1-CG2 4.28Å; Y38-V42 HydrophobicContact CD2-CG2 4.45Å; Y38-V42 HydrophobicContact CE1-CG2 3.92Å; Y38-V42 HydrophobicContact CE2-CG2 4.11Å; Y38-V42 WeakPolarHBondContact O-CB 3.3Å; Y38-V42 VanDerWaalsContact O-CG2 3.28Å; Y38-V42 WeakPolarHBondContact O-CG2 3.48Å; Y38-V42 PolarHBondContact O-N 3.37Å; Q40-V42 VanDerWaalsContact C-N 3.34Å; Q40-V42 PolarHBondContact O-N 3.01Å; V42-Q45 PolarHBondContact O-N 3.22Å; V42-M46 HydrophobicContact CG1-CE 3.7Å; V42-M46 PolarHBondContact O-N 2.89Å |
| 43 | K | 94 | Very high | 93.8 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 172.5 | -78.2 | 176 | 177.1 | -175.8 | 0 | 112.8 | I39 Q40 H41 Q45 H47 | I39-K43 HydrophobicContact CG2-CD 4.26Å; I39-K43 WeakPolarHBondContact O-CB 3.02Å; I39-K43 VanDerWaalsContact O-CG 3.31Å; I39-K43 WeakPolarHBondContact O-CG 3.43Å; I39-K43 PolarHBondContact O-N 3.37Å; Q40-K43 PolarHBondContact O-N 2.99Å; H41-K43 PolarHBondContact O-N 3.29Å; K43-Q45 VanDerWaalsContact C-N 3.34Å; K43-H47 PolarHBondContact O-N 3.12Å; K43-H47 PolarHBondContact O-ND1 3.1Å |
| 44 | L | 93.5 | Very high | 93.5 | Very high | 108 Ų | 108 | 104.3 Ų | 104.3 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.8 | -25.9 | 178.3 | -71.3 | 170.3 | 0 | 0 | 0 | 113.1 | Q40 H41 R48 | Q40-L44 WeakPolarHBondContact O-CB 3.38Å; Q40-L44 WeakPolarHBondContact O-CG 3.33Å; Q40-L44 PolarHBondContact O-N 3.03Å; H41-L44 PolarHBondContact O-N 3.44Å; L44-R48 PolarHBondContact O-N 3.14Å; L44-R48 PolarHBondContact O-NE 3.21Å |
| 45 | Q | 93.1 | Very high | 93 | Very high | 84 Ų | 84 | 105.4 Ų | 105.4 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.5 | -56.9 | 169.6 | -179.1 | 162.4 | -2.9 | 0 | 0 | 109.7 | H41 V42 K43 H47 R48 D49 | H41-Q45 WeakPolarHBondContact O-CB 3.46Å; H41-Q45 PolarHBondContact O-N 3.04Å; V42-Q45 PolarHBondContact O-N 3.22Å; K43-Q45 VanDerWaalsContact C-N 3.34Å; Q45-H47 PolarHBondContact O-N 3.42Å; Q45-H47 VanDerWaalsContact O-N 3.11Å; Q45-R48 WeakPolarHBondContact O-CA 3.18Å; Q45-R48 WeakPolarHBondContact O-CB 3.38Å; Q45-R48 PolarHBondContact O-N 2.85Å; Q45-D49 VanDerWaalsContact CG-OD2 3.3Å; Q45-D49 WeakPolarHBondContact CG-OD2 3.46Å; Q45-D49 PolarHBondContact O-N 3.48Å |
| 46 | M | 92.5 | Very high | 92.5 | Very high | 103 Ų | 103 | 104 Ų | 104 | 51% | 0.507 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -54.9 | -35 | 176.6 | -77.8 | -165.5 | -83.1 | 0 | 0 | 113.6 | V42 L50 | V42-M46 HydrophobicContact CG1-CE 3.7Å; V42-M46 PolarHBondContact O-N 2.89Å; M46-L50 VanDerWaalsContact O-CB 3.24Å; M46-L50 WeakPolarHBondContact O-CB 3.4Å; M46-L50 WeakPolarHBondContact O-CD1 3.31Å; M46-L50 WeakPolarHBondContact O-CG 3.39Å; M46-L50 PolarHBondContact O-N 3.16Å |
| 47 | H | 93.5 | Very high | 91.9 | Very high | 130 Ų | 130 | 100.5 Ų | 100.5 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.3 | -38.8 | 173.8 | -85.3 | 72.1 | 0 | 0 | 0 | 113.3 | K43 Q45 M51 | K43-H47 PolarHBondContact O-N 3.12Å; K43-H47 PolarHBondContact O-ND1 3.1Å; Q45-H47 PolarHBondContact O-N 3.42Å; Q45-H47 VanDerWaalsContact O-N 3.11Å; H47-M51 WeakPolarHBondContact O-CB 3.42Å; H47-M51 WeakPolarHBondContact O-CG 3.39Å; H47-M51 PolarHBondContact O-N 3.3Å; H47-M51 VanDerWaalsContact O-N 3.11Å |
| 48 | R | 93.4 | Very high | 91.3 | Very high | 142 Ų | 142 | 100.6 Ų | 100.6 | 54% | 0.536 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.7 | -45.9 | 174.5 | -77.9 | 178.5 | -74.9 | 165.6 | -3 | 110.8 | L44 Q45 L50 M51 L52 | L44-R48 PolarHBondContact O-N 3.14Å; L44-R48 PolarHBondContact O-NE 3.21Å; Q45-R48 WeakPolarHBondContact O-CA 3.18Å; Q45-R48 WeakPolarHBondContact O-CB 3.38Å; Q45-R48 PolarHBondContact O-N 2.85Å; R48-L50 VanDerWaalsContact C-N 3.33Å; R48-L50 PolarHBondContact O-N 3.42Å; R48-M51 PolarHBondContact O-N 2.99Å; R48-M51 VanDerWaalsContact O-N 3.14Å; R48-L52 WeakPolarHBondContact O-CG 3.32Å; R48-L52 PolarHBondContact O-N 3.4Å |
| 49 | D | 89.9 | Confident | 90.7 | Very high | 79 Ų | 79 | 99.2 Ų | 99.2 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | -179.2 | -53.5 | -21.5 | 0 | 0 | 0 | 111.1 | Q45 C53 | Q45-D49 VanDerWaalsContact CG-OD2 3.3Å; Q45-D49 WeakPolarHBondContact CG-OD2 3.46Å; Q45-D49 PolarHBondContact O-N 3.48Å; D49-C53 WeakPolarHBondContact O-CB 3.33Å; D49-C53 PolarHBondContact O-N 2.9Å |
| 50 | L | 91.7 | Very high | 90 | Very high | 116 Ų | 116 | 99 Ų | 99 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.6 | -36.7 | 173.7 | -76.2 | 169.2 | 0 | 0 | 0 | 113.3 | M46 R48 K54 | M46-L50 VanDerWaalsContact O-CB 3.24Å; M46-L50 WeakPolarHBondContact O-CB 3.4Å; M46-L50 WeakPolarHBondContact O-CD1 3.31Å; M46-L50 WeakPolarHBondContact O-CG 3.39Å; M46-L50 PolarHBondContact O-N 3.16Å; R48-L50 VanDerWaalsContact C-N 3.33Å; R48-L50 PolarHBondContact O-N 3.42Å; L50-K54 VanDerWaalsContact O-CB 3.32Å; L50-K54 WeakPolarHBondContact O-CB 3.04Å; L50-K54 PolarHBondContact O-N 3.43Å |
| 51 | M | 88.9 | Confident | 89.3 | Confident | 134 Ų | 134 | 101.1 Ų | 101.1 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.5 | -42.1 | 176.8 | -73.4 | -70.3 | -70.6 | 0 | 0 | 111.7 | H47 R48 K54 Q55 | H47-M51 WeakPolarHBondContact O-CB 3.42Å; H47-M51 WeakPolarHBondContact O-CG 3.39Å; H47-M51 PolarHBondContact O-N 3.3Å; H47-M51 VanDerWaalsContact O-N 3.11Å; R48-M51 PolarHBondContact O-N 2.99Å; R48-M51 VanDerWaalsContact O-N 3.14Å; M51-K54 PolarHBondContact O-N 2.9Å; M51-Q55 PolarHBondContact O-N 3.33Å; M51-Q55 VanDerWaalsContact O-N 3.08Å |
| 52 | L | 89.2 | Confident | 88.6 | Confident | 121 Ų | 121 | 103 Ų | 103 | 63% | 0.634 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.7 | -46.2 | 173.8 | -68.1 | 170.8 | 0 | 0 | 0 | 111.3 | R48 K54 Q55 S56 | R48-L52 WeakPolarHBondContact O-CG 3.32Å; R48-L52 PolarHBondContact O-N 3.4Å; L52-K54 PolarHBondContact O-N 3.12Å; L52-Q55 PolarHBondContact O-N 2.84Å; L52-S56 PolarHBondContact O-N 3.39Å |
| 53 | C | 90.7 | Very high | 87.8 | Confident | 73 Ų | 73 | 106.4 Ų | 106.4 | 49% | 0.493 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 175.3 | -180 | 0 | 0 | 0 | 0 | 112.2 | D49 Q55 S56 T57 | D49-C53 WeakPolarHBondContact O-CB 3.33Å; D49-C53 PolarHBondContact O-N 2.9Å; C53-Q55 VanDerWaalsContact C-N 3.33Å; C53-Q55 PolarHBondContact O-N 3.45Å; C53-S56 PolarHBondContact O-N 3.25Å; C53-T57 WeakPolarHBondContact O-CG2 3.35Å; C53-T57 PolarHBondContact O-N 3.43Å; C53-T57 PolarHBondContact O-OG1 2.9Å; C53-T57 VanDerWaalsContact O-OG1 3.05Å |
| 54 | K | 88.2 | Confident | 87.3 | Confident | 127 Ų | 127 | 105.3 Ų | 105.3 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61 | -41.1 | 175.2 | -177.5 | -178.4 | 174.7 | -172.3 | 0 | 112 | L50 M51 L52 T57 H58 | L50-K54 VanDerWaalsContact O-CB 3.32Å; L50-K54 WeakPolarHBondContact O-CB 3.04Å; L50-K54 PolarHBondContact O-N 3.43Å; M51-K54 PolarHBondContact O-N 2.9Å; L52-K54 PolarHBondContact O-N 3.12Å; K54-T57 PolarHBondContact O-OG1 3.46Å; K54-H58 PolarHBondContact O-CD2 2.92Å; K54-H58 PolarHBondContact O-N 3.36Å |
| 55 | Q | 87.4 | Confident | 86.5 | Confident | 120 Ų | 120 | 106.4 Ų | 106.4 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.4 | -45.1 | 178.1 | -174.9 | 168.8 | -35.1 | 0 | 0 | 111.6 | M51 L52 C53 T57 H58 E59 | M51-Q55 PolarHBondContact O-N 3.33Å; M51-Q55 VanDerWaalsContact O-N 3.08Å; L52-Q55 PolarHBondContact O-N 2.84Å; C53-Q55 VanDerWaalsContact C-N 3.33Å; C53-Q55 PolarHBondContact O-N 3.45Å; Q55-T57 VanDerWaalsContact C-N 3.31Å; Q55-T57 PolarHBondContact O-N 3.45Å; Q55-H58 WeakPolarHBondContact O-CB 3.34Å; Q55-H58 PolarHBondContact O-N 2.82Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.3Å; Q55-E59 PolarHBondContact NE2-OE1 2.94Å; Q55-E59 PolarHBondContact O-N 3.42Å; Q55-E59 VanDerWaalsContact O-N 3.1Å |
| 56 | S | 85.7 | Confident | 85.6 | Confident | 59 Ų | 59 | 111 Ų | 111 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 177.7 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | L52 C53 H58 E59 V60 | L52-S56 PolarHBondContact O-N 3.39Å; C53-S56 PolarHBondContact O-N 3.25Å; S56-H58 VanDerWaalsContact C-N 3.32Å; S56-H58 PolarHBondContact O-N 3.48Å; S56-E59 PolarHBondContact O-N 2.91Å; S56-V60 WeakPolarHBondContact O-CG2 3.16Å; S56-V60 PolarHBondContact O-N 3.11Å |
| 57 | T | 84.4 | Confident | 84.2 | Confident | 78 Ų | 78 | 113.2 Ų | 113.2 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.7 | -26.4 | 174 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | C53 K54 Q55 L61 | C53-T57 WeakPolarHBondContact O-CG2 3.35Å; C53-T57 PolarHBondContact O-N 3.43Å; C53-T57 PolarHBondContact O-OG1 2.9Å; C53-T57 VanDerWaalsContact O-OG1 3.05Å; K54-T57 PolarHBondContact O-OG1 3.46Å; Q55-T57 VanDerWaalsContact C-N 3.31Å; Q55-T57 PolarHBondContact O-N 3.45Å; T57-L61 WeakPolarHBondContact O-CB 3.28Å; T57-L61 PolarHBondContact O-N 2.89Å; T57-L61 VanDerWaalsContact O-N 3.08Å |
| 58 | H | 83.7 | Confident | 83.3 | Confident | 115 Ų | 115 | 116 Ų | 116 | 53% | 0.532 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.6 | -39.5 | 169.8 | -82 | -69 | 0 | 0 | 0 | 112.4 | K54 Q55 S56 H62 | K54-H58 PolarHBondContact O-CD2 2.92Å; K54-H58 PolarHBondContact O-N 3.36Å; Q55-H58 WeakPolarHBondContact O-CB 3.34Å; Q55-H58 PolarHBondContact O-N 2.82Å; S56-H58 VanDerWaalsContact C-N 3.32Å; S56-H58 PolarHBondContact O-N 3.48Å; H58-H62 WeakPolarHBondContact O-CB 3.41Å; H58-H62 PolarHBondContact O-N 2.89Å |
| 59 | E | 81.9 | Confident | 81.4 | Confident | 101 Ų | 101 | 111.6 Ų | 111.6 | 47% | 0.472 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -52.1 | 177.6 | -70.5 | 160.4 | -175.8 | 0 | 0 | 110.6 | Q55 S56 L61 H62 E63 | Q55-E59 WeakPolarHBondContact CG-OE1 3.3Å; Q55-E59 PolarHBondContact NE2-OE1 2.94Å; Q55-E59 PolarHBondContact O-N 3.42Å; Q55-E59 VanDerWaalsContact O-N 3.1Å; S56-E59 PolarHBondContact O-N 2.91Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.25Å; E59-H62 WeakPolarHBondContact O-CB 3.39Å; E59-H62 PolarHBondContact O-N 2.93Å; E59-E63 PolarHBondContact O-N 3.44Å |
| 60 | V | 82.2 | Confident | 79.4 | Confident | 74 Ų | 74 | 112.2 Ų | 112.2 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.7 | -38.6 | 176.4 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | S56 H62 E63 V64 | S56-V60 WeakPolarHBondContact O-CG2 3.16Å; S56-V60 PolarHBondContact O-N 3.11Å; V60-H62 VanDerWaalsContact C-N 3.3Å; V60-H62 PolarHBondContact O-N 3.42Å; V60-E63 PolarHBondContact O-N 2.88Å; V60-V64 HydrophobicContact CG1-CG2 4.27Å; V60-V64 WeakPolarHBondContact O-CB 3.34Å; V60-V64 VanDerWaalsContact O-CG2 3.28Å; V60-V64 WeakPolarHBondContact O-CG2 3.47Å; V60-V64 PolarHBondContact O-N 3.14Å |
| 61 | L | 82.1 | Confident | 77 | Confident | 115 Ų | 115 | 112.1 Ų | 112.1 | 60% | 0.602 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.6 | -33.6 | 175.4 | -179.6 | 62.6 | 0 | 0 | 0 | 112.2 | T57 E59 K65 | T57-L61 WeakPolarHBondContact O-CB 3.28Å; T57-L61 PolarHBondContact O-N 2.89Å; T57-L61 VanDerWaalsContact O-N 3.08Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.25Å; L61-K65 WeakPolarHBondContact O-CB 3.37Å; L61-K65 PolarHBondContact O-N 3.27Å |
| 62 | H | 79.6 | Confident | 74.9 | Confident | 134 Ų | 134 | 113.4 Ų | 113.4 | 62% | 0.62 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.4 | -45.4 | 175.5 | -173.7 | -87.8 | 0 | 0 | 0 | 111.4 | H58 E59 V60 K65 Y66 | H58-H62 WeakPolarHBondContact O-CB 3.41Å; H58-H62 PolarHBondContact O-N 2.89Å; E59-H62 WeakPolarHBondContact O-CB 3.39Å; E59-H62 PolarHBondContact O-N 2.93Å; V60-H62 VanDerWaalsContact C-N 3.3Å; V60-H62 PolarHBondContact O-N 3.42Å; H62-K65 PolarHBondContact O-N 3.15Å; H62-Y66 WeakPolarHBondContact O-CB 3.28Å; H62-Y66 PolarHBondContact O-N 3.33Å |
| 63 | E | 78.6 | Confident | 72.6 | Confident | 115 Ų | 115 | 114.9 Ų | 114.9 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.7 | -48.2 | 174.2 | -69 | -178.5 | 158.6 | 0 | 0 | 111.9 | E59 V60 K65 Y66 H67 | E59-E63 PolarHBondContact O-N 3.44Å; V60-E63 PolarHBondContact O-N 2.88Å; E63-K65 VanDerWaalsContact C-N 3.28Å; E63-K65 PolarHBondContact O-N 2.86Å; E63-Y66 WeakPolarHBondContact O-CB 3.49Å; E63-Y66 PolarHBondContact O-N 2.97Å; E63-Y66 VanDerWaalsContact O-N 3.15Å; E63-H67 PolarHBondContact O-CD2 2.98Å; E63-H67 PolarHBondContact O-N 2.91Å |
| 64 | V | 83.8 | Confident | 70.4 | Confident | 84 Ų | 84 | 117.8 Ų | 117.8 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.1 | -38.3 | 176.6 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | V60 R68 | V60-V64 HydrophobicContact CG1-CG2 4.27Å; V60-V64 WeakPolarHBondContact O-CB 3.34Å; V60-V64 VanDerWaalsContact O-CG2 3.28Å; V60-V64 WeakPolarHBondContact O-CG2 3.47Å; V60-V64 PolarHBondContact O-N 3.14Å; V64-R68 WeakPolarHBondContact O-CB 3.39Å; V64-R68 PolarHBondContact O-N 2.93Å |
| 65 | K | 75.6 | Confident | 67.7 | Low | 131 Ų | 131 | 114.8 Ų | 114.8 | 57% | 0.57 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.3 | -42.1 | 175 | -171.6 | 179.1 | 177.9 | -172.9 | 0 | 112.2 | L61 H62 E63 R68 G69 D70 | L61-K65 WeakPolarHBondContact O-CB 3.37Å; L61-K65 PolarHBondContact O-N 3.27Å; H62-K65 PolarHBondContact O-N 3.15Å; E63-K65 VanDerWaalsContact C-N 3.28Å; E63-K65 PolarHBondContact O-N 2.86Å; K65-R68 PolarHBondContact O-N 2.9Å; K65-G69 PolarHBondContact O-N 3.22Å; K65-D70 WeakPolarHBondContact CE-O 3.31Å |
| 66 | Y | 75.3 | Confident | 65.3 | Low | 179 Ų | 179 | 115.9 Ų | 115.9 | 70% | 0.702 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.8 | -48.8 | 177.2 | -178.4 | -102.3 | 0 | 0 | 0 | 111.4 | H62 E63 R68 G69 | H62-Y66 WeakPolarHBondContact O-CB 3.28Å; H62-Y66 PolarHBondContact O-N 3.33Å; E63-Y66 WeakPolarHBondContact O-CB 3.49Å; E63-Y66 PolarHBondContact O-N 2.97Å; E63-Y66 VanDerWaalsContact O-N 3.15Å; Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 2.93Å; Y66-G69 PolarHBondContact O-N 2.89Å |
| 67 | H | 61.9 | Low | 62.8 | Low | 151 Ų | 151 | 123.8 Ų | 123.8 | 70% | 0.699 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.1 | -22.9 | 177.4 | -68.7 | -59 | 0 | 0 | 0 | 114.2 | E63 G69 | E63-H67 PolarHBondContact O-CD2 2.98Å; E63-H67 PolarHBondContact O-N 2.91Å; H67-G69 VanDerWaalsContact C-N 3.32Å |
| 68 | R | 74.3 | Confident | 60.3 | Low | 189 Ų | 189 | 131.5 Ų | 131.5 | 71% | 0.713 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75 | -19.1 | 174.1 | -175.3 | 173.7 | 178 | 127.7 | 8.5 | 113.4 | V64 K65 Y66 D70 | V64-R68 WeakPolarHBondContact O-CB 3.39Å; V64-R68 PolarHBondContact O-N 2.93Å; K65-R68 PolarHBondContact O-N 2.9Å; Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 2.93Å; R68-D70 VanDerWaalsContact C-N 3.32Å; R68-D70 WeakPolarHBondContact CD-OD2 3.47Å; R68-D70 WeakPolarHBondContact CG-OD2 3.45Å; R68-D70 IonicContact NE-OD2 3.12Å; R68-D70 PolarHBondContact NE-OD2 2.9Å; R68-D70 VanDerWaalsContact NE-OD2 3.12Å; R68-D70 PolarHBondContact O-N 2.99Å |
| 69 | G | 53.9 | Low | 57.9 | Low | 48 Ų | 48 | 134.9 Ų | 134.9 | 50% | 0.495 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 76.5 | 9.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | K65 Y66 H67 T71 | K65-G69 PolarHBondContact O-N 3.22Å; Y66-G69 PolarHBondContact O-N 2.89Å; H67-G69 VanDerWaalsContact C-N 3.32Å; G69-T71 CarbonylContact O-C 3.26Å; G69-T71 WeakPolarHBondContact O-CA 3.19Å; G69-T71 PolarHBondContact O-N 3.36Å |
| 70 | D | 48.5 | Very low | 55.5 | Low | 92 Ų | 92 | 139.9 Ų | 139.9 | 49% | 0.492 | 68% | 0.679 | S | S | . | * | trans | -77.4 | 90.6 | 168.9 | -71.8 | -50.7 | 0 | 0 | 0 | 109.5 | K65 R68 | K65-D70 WeakPolarHBondContact CE-O 3.31Å; R68-D70 VanDerWaalsContact C-N 3.32Å; R68-D70 WeakPolarHBondContact CD-OD2 3.47Å; R68-D70 WeakPolarHBondContact CG-OD2 3.45Å; R68-D70 IonicContact NE-OD2 3.12Å; R68-D70 PolarHBondContact NE-OD2 2.9Å; R68-D70 VanDerWaalsContact NE-OD2 3.12Å; R68-D70 PolarHBondContact O-N 2.99Å | ||
| 71 | T | 40.9 | Very low | 53.4 | Low | 115 Ų | 115 | 143 Ų | 143 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | S | Bend | cis | -143.9 | 153.3 | 14.8 | 53.5 | 0 | 0 | 0 | 0 | 112.5 | G69 | G69-T71 CarbonylContact O-C 3.26Å; G69-T71 WeakPolarHBondContact O-CA 3.19Å; G69-T71 PolarHBondContact O-N 3.36Å |
| 72 | M | 45.9 | Very low | 51 | Low | 160 Ų | 160 | 144.5 Ų | 144.5 | 79% | 0.788 | 70% | 0.702 | S | S | * | * | 170 | 99 | 128.4 | -89.9 | -62.8 | 168.5 | 0 | 0 | 110.8 | V74 | M72-V74 PolarHBondContact O-N 3.05Š| |||
| 73 | D | 40.6 | Very low | 48.8 | Very low | 153 Ų | 153 | 143 Ų | 143 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -73.6 | 114.7 | 171.5 | 175.2 | 14.7 | 0 | 0 | 0 | 110.8 | G75 | D73-G75 PolarHBondContact OD1-N 2.93Š| ||
| 74 | V | 43.5 | Very low | 46.8 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | trans | -129.5 | 38.6 | 169.8 | -161.2 | 0 | 0 | 0 | 0 | 110.1 | M72 N76 | M72-V74 PolarHBondContact O-N 3.05Å; V74-N76 PolarHBondContact O-N 3.08Å | ||
| 75 | G | 32.6 | Very low | 44.4 | Very low | 63 Ų | 63 | 145.9 Ų | 145.9 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | trans | -76.3 | 29.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | D73 | D73-G75 PolarHBondContact OD1-N 2.93Š| ||
| 76 | N | 36.8 | Very low | 42.5 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | -136.4 | 76 | -168.7 | -132.5 | -18.2 | 0 | 0 | 0 | 117.5 | V74 | V74-N76 PolarHBondContact O-N 3.08Š| ||
| 77 | R | 32.5 | Very low | 40.6 | Very low | 225 Ų | 225 | 140.9 Ų | 140.9 | 85% | 0.849 | 74% | 0.741 | S | S | * | * | trans | 22 | 111.5 | 138.1 | -57.8 | 171.7 | 179.7 | 168.8 | -0.4 | 118.2 | ||||
| 78 | R | 32.7 | Very low | 39.4 | Very low | 241 Ų | 241 | 141.1 Ų | 141.1 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | -179.7 | 136.1 | 130.4 | -104.4 | 160.3 | -172.9 | -152.5 | 1.9 | 113.4 | ||||
| 79 | K | 31.9 | Very low | 37.3 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 81% | 0.809 | 75% | 0.748 | S | S | * | * | trans | 62.9 | 119.3 | 165.6 | -72.1 | -179.7 | 176.8 | -178.1 | 0 | 114.4 | ||||
| 80 | R | 32.8 | Very low | 36.2 | Very low | 205 Ų | 205 | 141.6 Ų | 141.6 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | 69 | 103.7 | 75.3 | -164.6 | -149.7 | -137.9 | 167.5 | 6.8 | 109.3 | |||||
| 81 | D | 38.1 | Very low | 35.6 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | -160.4 | 143.4 | 107.6 | -78.5 | -22.3 | 0 | 0 | 0 | 110.4 | |||||
| 82 | D | 32 | Very low | 35.3 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -21.9 | 151.4 | -175.4 | -54.4 | -42.1 | 0 | 0 | 0 | 124 | ||||
| 83 | A | 32.5 | Very low | 35 | Very low | 102 Ų | 102 | 147.7 Ų | 147.7 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 60.5 | 86.5 | 142.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 84 | N | 36.5 | Very low | 35 | Very low | 154 Ų | 154 | 145 Ų | 145 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | -151.9 | 145.6 | 101 | -164.4 | 12 | 0 | 0 | 0 | 111.7 | |||||
| 85 | S | 33.3 | Very low | 34.5 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -111.9 | 84.6 | -177.4 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 86 | T | 36.4 | Very low | 35.1 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | -134.7 | 82.1 | 152.9 | 46.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 87 | S | 36.1 | Very low | 35 | Very low | 90 Ų | 90 | 151.8 Ų | 151.8 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | 74.8 | 115.4 | 74.7 | 75.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 88 | I | 35.3 | Very low | 35.5 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | 71 | 99 | 162.9 | -56.3 | -179.1 | 0 | 0 | 0 | 113.4 | ||||
| 89 | Q | 30.2 | Very low | 36.6 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | 64.2 | 85.6 | 58.5 | -163.2 | 174.2 | -4.4 | 0 | 0 | 110.6 | |||||
| 90 | A | 31.1 | Very low | 37.3 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | 47.6 | 83.7 | 73.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 91 | D | 35.4 | Very low | 38.4 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | -165.3 | 127.9 | 128 | -120.9 | -66.9 | 0 | 0 | 0 | 110.6 | |||||
| 92 | Y | 35.4 | Very low | 39.3 | Very low | 222 Ų | 222 | 134.2 Ų | 134.2 | 87% | 0.871 | 76% | 0.756 | S | S | * | * | trans | -111.4 | 103.4 | 172.9 | -87.2 | -86.9 | 0 | 0 | 0 | 108.2 | A94 | Y92-A94 PolarHBondContact O-N 3Å; Y92-A94 VanDerWaalsContact O-N 3.16Å | ||
| 93 | P | 38.6 | Very low | 40.5 | Very low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | -71.6 | 109.6 | 172.6 | 28.8 | -32.4 | 0 | 0 | 0 | 109.5 | ||||
| 94 | A | 40.8 | Very low | 41.8 | Very low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | trans | -78.8 | 135.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y92 | Y92-A94 PolarHBondContact O-N 3Å; Y92-A94 VanDerWaalsContact O-N 3.16Å | ||
| 95 | K | 34.6 | Very low | 43 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -163.5 | 144.2 | 152 | -124.2 | -172.7 | 171.8 | -128.9 | 0 | 114.9 | ||||
| 96 | E | 43.3 | Very low | 44.3 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | 70.7 | 119.4 | 158 | -75.6 | 157.6 | 179.4 | 0 | 0 | 119 | ||||
| 97 | D | 36.5 | Very low | 45.6 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 83% | 0.834 | 68% | 0.682 | S | S | * | * | trans | -76.3 | 140.4 | -171.7 | -49.2 | -117 | 0 | 0 | 0 | 114.7 | ||||
| 98 | D | 42.7 | Very low | 47.1 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | trans | -109.4 | 93.7 | 152 | -168.6 | 3.3 | 0 | 0 | 0 | 108 | C100 | D98-C100 PolarHBondContact O-N 2.97Š| ||
| 99 | S | 55.4 | Low | 48.6 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 22.8 | -160.6 | 57.3 | 0 | 0 | 0 | 0 | 116.1 | ||
| 100 | C | 46.9 | Very low | 50.3 | Low | 86 Ų | 86 | 111.8 Ų | 111.8 | 58% | 0.581 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -15.4 | -174.5 | -69 | 0 | 0 | 0 | 0 | 115.5 | D98 H102 C103 | D98-C100 PolarHBondContact O-N 2.97Å; C100-H102 VanDerWaalsContact C-N 3.25Å; C100-H102 PolarHBondContact O-N 3.38Å; C100-C103 PolarHBondContact O-N 3.32Å |
| 101 | D | 55.2 | Low | 52.1 | Low | 137 Ų | 137 | 115 Ų | 115 | 73% | 0.733 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -61.7 | -30.4 | -174.3 | -81.2 | -27.2 | 0 | 0 | 0 | 113.5 | C103 C104 | D101-C103 PolarHBondContact O-N 3.32Å; D101-C104 PolarHBondContact O-N 3.32Å |
| 102 | H | 56.5 | Low | 53.6 | Low | 192 Ų | 192 | 112.2 Ų | 112.2 | 89% | 0.889 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -65.3 | -8.3 | -176.9 | -83.7 | -63.1 | 0 | 0 | 0 | 116.2 | C100 | C100-H102 VanDerWaalsContact C-N 3.25Å; C100-H102 PolarHBondContact O-N 3.38Å |
| 103 | C | 58.5 | Low | 55.1 | Low | 101 Ų | 101 | 102 Ų | 102 | 68% | 0.682 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -114.9 | 1.9 | -178.9 | -80 | 0 | 0 | 0 | 0 | 115.1 | C100 D101 I105 | C100-C103 PolarHBondContact O-N 3.32Å; D101-C103 PolarHBondContact O-N 3.32Å; C103-I105 PolarHBondContact O-N 3Å |
| 104 | C | 58.5 | Low | 56.6 | Low | 60 Ų | 60 | 100.9 Ų | 100.9 | 41% | 0.405 | 59% | 0.589 | S | S | . | * | trans | -85.4 | 92.8 | 178.5 | -74.3 | 0 | 0 | 0 | 0 | 112 | D101 A106 | D101-C104 PolarHBondContact O-N 3.32Å; C104-A106 PolarHBondContact O-N 3.22Å; C104-A106 VanDerWaalsContact O-N 3.12Å | ||
| 105 | I | 63 | Low | 57.8 | Low | 145 Ų | 145 | 100.3 Ų | 100.3 | 74% | 0.744 | 58% | 0.577 | S | S | * | * | trans | -70.3 | 106.9 | 165.3 | -57.4 | 178.9 | 0 | 0 | 0 | 108.3 | C103 | C103-I105 PolarHBondContact O-N 3Š| ||
| 106 | A | 60.5 | Low | 59.2 | Low | 49 Ų | 49 | 92.5 Ų | 92.5 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 150.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | C104 | C104-A106 PolarHBondContact O-N 3.22Å; C104-A106 VanDerWaalsContact O-N 3.12Å |
| 107 | G | 62.9 | Low | 60.4 | Low | 11 Ų | 11 | 95.6 Ų | 95.6 | 11% | 0.113 | 55% | 0.55 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 165 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G155 | G107-G155 WeakPolarHBondContact O-CA 3.45Š|
| 108 | P | 67.4 | Low | 61.6 | Low | 90 Ų | 90 | 92 Ų | 92 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 146.5 | 171.5 | 26.9 | -34.6 | 0 | 0 | 0 | 110 | G280 | P108-G280 WeakPolarHBondContact O-CA 3.29Š|
| 109 | P | 66.1 | Low | 62.4 | Low | 91 Ų | 91 | 87.2 Ų | 87.2 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 144.7 | 176.6 | -22.9 | 31.6 | 0 | 0 | 0 | 111.3 | P156 | P109-P156 WeakPolarHBondContact CA-O 3.32Å; P109-P156 HydrophobicContact CB-CG 4.2Å; P109-P156 HydrophobicContact CG-CG 4.04Å |
| 110 | G | 66.7 | Low | 62.9 | Low | 14 Ų | 14 | 90.8 Ų | 90.8 | 14% | 0.144 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 166.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P156 G158 Q278 | G110-P156 PolarHBondContact N-O 3.4Å; G110-P156 VanDerWaalsContact N-O 3.13Å; G110-G158 WeakPolarHBondContact O-CA 3.32Å; G110-Q278 WeakPolarHBondContact CA-O 3.24Å |
| 111 | L | 70 | Confident | 63.6 | Low | 152 Ų | 152 | 90.5 Ų | 90.5 | 80% | 0.796 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 138.3 | 169.1 | -66.6 | 178.2 | 0 | 0 | 0 | 109.3 | G277 | L111-G277 WeakPolarHBondContact O-CA 3.46Š|
| 112 | P | 66 | Low | 63.5 | Low | 88 Ų | 88 | 84.3 Ų | 84.3 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 152.7 | 179 | -28.7 | 35.6 | 0 | 0 | 0 | 113.2 | L159 | P112-L159 VanDerWaalsContact CA-O 3.32Å; P112-L159 WeakPolarHBondContact CA-O 3.28Å |
| 113 | G | 67.6 | Low | 63.9 | Low | 8 Ų | 8 | 85.1 Ų | 85.1 | 8% | 0.082 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 144.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L159 G161 P275 | G113-L159 PolarHBondContact N-O 3.29Å; G113-G161 WeakPolarHBondContact O-CA 3.1Å; G113-P275 WeakPolarHBondContact CA-O 3.44Å |
| 114 | V | 69.6 | Low | 63.8 | Low | 104 Ų | 104 | 83.4 Ų | 83.4 | 63% | 0.63 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 146.5 | 163.5 | -66.5 | 0 | 0 | 0 | 0 | 109 | G274 P275 | V114-G274 WeakPolarHBondContact O-CA 3.35Å; V114-P275 HydrophobicContact CG2-CG 4.16Å |
| 115 | P | 65.4 | Low | 63.3 | Low | 84 Ų | 84 | 81.7 Ų | 81.7 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 151.7 | 177.4 | -27.7 | 34.9 | 0 | 0 | 0 | 112.4 | P162 | P115-P162 WeakPolarHBondContact CA-O 3.11Å; P115-P162 HydrophobicContact CB-CG 4.14Å; P115-P162 HydrophobicContact CG-CG 4.06Å |
| 116 | G | 64 | Low | 63 | Low | 7 Ų | 7 | 81.2 Ų | 81.2 | 7% | 0.072 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -50 | 146.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P162 G164 P272 | G116-P162 PolarHBondContact N-O 2.93Å; G116-G164 WeakPolarHBondContact O-CA 3.36Å; G116-P272 VanDerWaalsContact CA-O 3.3Å; G116-P272 WeakPolarHBondContact CA-O 3.05Å |
| 117 | R | 68.6 | Low | 62.6 | Low | 220 Ų | 220 | 82.6 Ų | 82.6 | 83% | 0.83 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 144.1 | 163.3 | -67.9 | -173.3 | -179.3 | -169.5 | 0.6 | 107.7 | ||
| 118 | P | 61.8 | Low | 61.4 | Low | 79 Ų | 79 | 85.9 Ų | 85.9 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -47.4 | 152.9 | 173.8 | -27.7 | 34.5 | 0 | 0 | 0 | 111.8 | P165 | P118-P165 WeakPolarHBondContact CA-O 3.45Å; P118-P165 HydrophobicContact CB-CG 4.02Å; P118-P165 HydrophobicContact CG-CG 3.94Å |
| 119 | G | 58.7 | Low | 60.2 | Low | 6 Ų | 6 | 88.4 Ų | 88.4 | 6% | 0.062 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -47.8 | 145.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P165 G167 P269 | G119-P165 PolarHBondContact N-O 2.72Å; G119-G167 WeakPolarHBondContact O-CA 3.39Å; G119-P269 WeakPolarHBondContact CA-O 3.41Å |
| 120 | K | 66.6 | Low | 59.3 | Low | 182 Ų | 182 | 89.5 Ų | 89.5 | 79% | 0.791 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 135.9 | 163.4 | -67.7 | -175.5 | 179.6 | -178.1 | 0 | 106.7 | G268 | K120-G268 WeakPolarHBondContact O-CA 3.49Š|
| 121 | P | 61.5 | Low | 57.8 | Low | 80 Ų | 80 | 92.7 Ų | 92.7 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 152.7 | 176.1 | -29.9 | 36 | 0 | 0 | 0 | 111.9 | R123 D168 | P121-R123 PolarHBondContact O-N 2.89Å; P121-D168 CarbonylContact C-O 3.45Å; P121-D168 WeakPolarHBondContact CA-O 3.27Å; P121-D168 HydrophobicContact CB-CB 4.49Å |
| 122 | G | 54.1 | Low | 56.6 | Low | 7 Ų | 7 | 91.7 Ų | 91.7 | 7% | 0.072 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -47.8 | 140.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | P124 D168 G170 L266 | G122-P124 WeakPolarHBondContact O-CD 3.39Å; G122-D168 PolarHBondContact N-O 3.02Å; G122-G170 WeakPolarHBondContact O-CA 3.4Å; G122-L266 WeakPolarHBondContact CA-O 3.25Å |
| 123 | R | 64.5 | Low | 55.3 | Low | 209 Ų | 209 | 93.9 Ų | 93.9 | 79% | 0.789 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 131.4 | 171.8 | -70.7 | -169.4 | -178.1 | -151.6 | 3.5 | 107.9 | P121 G125 | P121-R123 PolarHBondContact O-N 2.89Å; R123-G125 PolarHBondContact O-N 3.49Å |
| 124 | P | 56.6 | Low | 53.6 | Low | 65 Ų | 65 | 97 Ų | 97 | 42% | 0.422 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -49 | 140.5 | 165.2 | -30.5 | 38 | 0 | 0 | 0 | 111 | G122 L126 E171 | G122-P124 WeakPolarHBondContact O-CD 3.39Å; P124-L126 PolarHBondContact O-N 3.32Å; P124-L126 VanDerWaalsContact O-N 3.12Å; P124-E171 VanDerWaalsContact CA-O 3.23Å; P124-E171 WeakPolarHBondContact CA-O 3.5Å; P124-E171 VanDerWaalsContact CB-O 3.23Å; P124-E171 WeakPolarHBondContact CB-O 3.08Å; P124-E171 HydrophobicContact CG-CB 4.25Å |
| 125 | G | 48.6 | Very low | 52.1 | Low | 25 Ų | 25 | 100.7 Ų | 100.7 | 26% | 0.258 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 117.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R123 P127 G173 | R123-G125 PolarHBondContact O-N 3.49Å; G125-P127 VanDerWaalsContact O-CD 3.3Å; G125-P127 WeakPolarHBondContact O-CD 3.47Å; G125-G173 WeakPolarHBondContact O-CA 3.41Å |
| 126 | L | 55.6 | Low | 51.1 | Low | 135 Ų | 135 | 102.1 Ų | 102.1 | 71% | 0.707 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 122.4 | -172.5 | -73.8 | 173.1 | 0 | 0 | 0 | 111.8 | P124 | P124-L126 PolarHBondContact O-N 3.32Å; P124-L126 VanDerWaalsContact O-N 3.12Å |
| 127 | P | 51.8 | Low | 49.5 | Very low | 78 Ų | 78 | 105.1 Ų | 105.1 | 51% | 0.506 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -63 | 139.3 | 160.3 | -18.2 | 32.9 | 0 | 0 | 0 | 109.7 | G125 I129 | G125-P127 VanDerWaalsContact O-CD 3.3Å; G125-P127 WeakPolarHBondContact O-CD 3.47Å; P127-I129 WeakPolarHBondContact O-CG1 3.31Å; P127-I129 PolarHBondContact O-N 2.91Å |
| 128 | G | 37.2 | Very low | 47.9 | Very low | 80 Ų | 80 | 103.3 Ų | 103.3 | 83% | 0.825 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 131.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 129 | I | 43.9 | Very low | 47.3 | Very low | 142 Ų | 142 | 104.9 Ų | 104.9 | 73% | 0.728 | 64% | 0.639 | S | S | * | * | trans | -107.6 | 119.6 | -168.4 | -48.1 | 178.7 | 0 | 0 | 0 | 111.3 | P127 | P127-I129 WeakPolarHBondContact O-CG1 3.31Å; P127-I129 PolarHBondContact O-N 2.91Å | ||
| 130 | P | 46.6 | Very low | 46.6 | Very low | 115 Ų | 115 | 109.7 Ų | 109.7 | 75% | 0.747 | 67% | 0.669 | S | S | * | * | trans | -73.4 | 140.3 | 165.8 | -16.2 | 31.9 | 0 | 0 | 0 | 112 | ||||
| 131 | G | 35.4 | Very low | 44.8 | Very low | 80 Ų | 80 | 106 Ų | 106 | 83% | 0.825 | 67% | 0.665 | S | S | * | * | trans | -82.9 | 163 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 132 | T | 43.5 | Very low | 43.8 | Very low | 131 Ų | 131 | 110.6 Ų | 110.6 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -134.2 | 140.7 | -175.1 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 133 | P | 39.8 | Very low | 42.9 | Very low | 135 Ų | 135 | 114.5 Ų | 114.5 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | trans | -66 | 174.1 | 168.3 | -20.4 | 34.2 | 0 | 0 | 0 | 113.8 | ||||
| 134 | G | 32.7 | Very low | 41.6 | Very low | 72 Ų | 72 | 113.7 Ų | 113.7 | 74% | 0.742 | 71% | 0.709 | S | S | * | * | trans | -159.6 | -155.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 135 | E | 36.8 | Very low | 40.8 | Very low | 183 Ų | 183 | 114.8 Ų | 114.8 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | trans | 69.4 | 155 | -168.2 | -86.2 | -148.9 | 78.7 | 0 | 0 | 116.7 | ||||
| 136 | P | 44.8 | Very low | 41.4 | Very low | 113 Ų | 113 | 119.1 Ų | 119.1 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | cis | -137.8 | 165.3 | 23.6 | 43 | -25.4 | 0 | 0 | 0 | 120.3 | ||||
| 137 | A | 31.1 | Very low | 41.1 | Very low | 71 Ų | 71 | 118.3 Ų | 118.3 | 59% | 0.587 | 75% | 0.75 | S | S | * | * | trans | 52.7 | 119.6 | 139.5 | 0 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 138 | Q | 34.6 | Very low | 41 | Very low | 181 Ų | 181 | 120.2 Ų | 120.2 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | 71.4 | 162.3 | 126.8 | -71.8 | -171 | 33.1 | 0 | 0 | 122.8 | |||||
| 139 | P | 47.7 | Very low | 41.2 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -124.9 | -121 | -18.6 | 27.8 | -2.1 | 0 | 0 | 0 | 115.2 | ||||
| 140 | P | 45.5 | Very low | 41.5 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | -135.1 | -163.7 | -123.5 | 44.4 | -23 | 0 | 0 | 0 | 118.2 | |||||
| 141 | C | 29.4 | Very low | 41.8 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | trans | 77.4 | 148.8 | 163.3 | -67.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 142 | E | 40 | Very low | 42.3 | Very low | 176 Ų | 176 | 121.6 Ų | 121.6 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | cis | -154 | -152.3 | -15.8 | -123.4 | 168.7 | 126.9 | 0 | 0 | 111.9 | ||||
| 143 | S | 35.6 | Very low | 42.7 | Very low | 90 Ų | 90 | 118.9 Ų | 118.9 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | trans | -138 | -173.4 | -155.5 | 59 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 144 | F | 35.8 | Very low | 43.6 | Very low | 191 Ų | 191 | 115 Ų | 115 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | trans | 93.9 | 91.2 | 165.4 | -74.2 | -81.6 | 0 | 0 | 0 | 123.8 | ||||
| 145 | A | 40.4 | Very low | 44.8 | Very low | 89 Ų | 89 | 111.5 Ų | 111.5 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | 69.4 | -164.1 | 108.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 146 | P | 61.7 | Low | 46.2 | Very low | 115 Ų | 115 | 106 Ų | 106 | 75% | 0.747 | 64% | 0.639 | S | S | * | * | -112.2 | 175.9 | -128.7 | 43.9 | -26.6 | 0 | 0 | 0 | 114 | |||||
| 147 | P | 49 | Very low | 47.2 | Very low | 119 Ų | 119 | 104.2 Ų | 104.2 | 77% | 0.773 | 63% | 0.627 | S | S | * | * | -154.8 | -135.3 | 65.3 | 43.6 | -18.6 | 0 | 0 | 0 | 111.7 | |||||
| 148 | P | 49.2 | Very low | 48.7 | Very low | 117 Ų | 117 | 100.9 Ų | 100.9 | 76% | 0.76 | 60% | 0.6 | S | S | * | * | cis | -125.2 | -166.5 | -32.4 | 38.6 | -20.1 | 0 | 0 | 0 | 113.6 | ||||
| 149 | C | 42.1 | Very low | 50.2 | Low | 114 Ų | 114 | 99.2 Ų | 99.2 | 77% | 0.77 | 60% | 0.596 | S | S | * | * | trans | -98.9 | 167.9 | -171 | -46.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 150 | K | 49.5 | Very low | 51 | Low | 180 Ų | 180 | 99.4 Ų | 99.4 | 78% | 0.783 | 59% | 0.587 | S | S | * | * | trans | 71.2 | 127.4 | 166.9 | -59.3 | 178.8 | 179.3 | -177.7 | 0 | 114.1 | ||||
| 151 | P | 52.2 | Low | 51.7 | Low | 109 Ų | 109 | 94.4 Ų | 94.4 | 71% | 0.708 | 56% | 0.555 | S | S | * | * | S | Bend | -120 | -175.1 | 55.3 | 15.4 | 7 | 0 | 0 | 0 | 114.2 | |||
| 152 | C | 46.9 | Very low | 53.2 | Low | 44 Ų | 44 | 93 Ų | 93 | 30% | 0.297 | 54% | 0.544 | S | S | . | . | trans | -45.4 | 130.7 | 172.7 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | C285 | C152-C285 HydrophobicContact CB-CB 4.31Å; C152-C285 WeakPolarHBondContact CB-SG 3.47Å; C152-C285 WeakPolarHBondContact SG-CB 3.33Å; C152-C285 CovalentContact SG-SG 2.04Å; C152-C285 PolarHBondContact SG-SG 3.42Å | ||
| 153 | P | 53 | Low | 54.1 | Low | 73 Ų | 73 | 88.1 Ų | 88.1 | 47% | 0.474 | 53% | 0.528 | S | S | . | . | trans | -62.9 | 138.1 | -172 | 23.9 | -33.1 | 0 | 0 | 0 | 111.2 | ||||
| 154 | P | 57.9 | Low | 55.3 | Low | 53 Ų | 53 | 84 Ų | 84 | 34% | 0.344 | 50% | 0.499 | S | S | . | . | B | Isolated β-bridge | trans | -42.1 | 150.8 | 151.6 | -30.9 | 39.4 | 0 | 0 | 0 | 111.6 | P279 G280 | P154-P279 HydrophobicContact CB-CB 3.39Å; P154-P279 HydrophobicContact CG-CB 3.99Å; P154-G280 WeakPolarHBondContact CB-O 3.27Å |
| 155 | G | 58.7 | Low | 56.5 | Low | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -49.5 | 147.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G107 G280 E281 | G107-G155 WeakPolarHBondContact O-CA 3.45Å; G155-G280 PolarHBondContact O-N 3.21Å; G155-E281 PolarHBondContact N-O 3.14Å; G155-E281 VanDerWaalsContact N-O 3.13Å |
| 156 | P | 65.8 | Low | 57.5 | Low | 68 Ų | 68 | 77.8 Ų | 77.8 | 44% | 0.442 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 141 | -173.5 | 22.3 | -33.3 | 0 | 0 | 0 | 110.2 | P109 G110 G158 | P109-P156 WeakPolarHBondContact CA-O 3.32Å; P109-P156 HydrophobicContact CB-CG 4.2Å; P109-P156 HydrophobicContact CG-CG 4.04Å; G110-P156 PolarHBondContact N-O 3.4Å; G110-P156 VanDerWaalsContact N-O 3.13Å; P156-G158 PolarHBondContact O-N 3.27Å |
| 157 | P | 66.2 | Low | 57.3 | Low | 75 Ų | 75 | 72.5 Ų | 72.5 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -47 | 133.8 | 179.1 | -30.3 | 36.3 | 0 | 0 | 0 | 111 | P276 | P157-P276 HydrophobicContact CB-CB 3.79Š|
| 158 | G | 61.7 | Low | 57.9 | Low | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.01 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 149.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G110 P156 Q160 G277 | G110-G158 WeakPolarHBondContact O-CA 3.32Å; P156-G158 PolarHBondContact O-N 3.27Å; G158-Q160 PolarHBondContact O-N 3.28Å; G158-G277 PolarHBondContact O-N 3.38Å |
| 159 | L | 65.2 | Low | 58.5 | Low | 146 Ų | 146 | 70.6 Ų | 70.6 | 76% | 0.764 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -48 | 140.2 | -177.7 | -69.4 | 179.6 | 0 | 0 | 0 | 111 | P112 G113 G161 | P112-L159 VanDerWaalsContact CA-O 3.32Å; P112-L159 WeakPolarHBondContact CA-O 3.28Å; G113-L159 PolarHBondContact N-O 3.29Å; L159-G161 PolarHBondContact O-N 2.87Å |
| 160 | Q | 64.9 | Low | 59.1 | Low | 116 Ų | 116 | 65.4 Ų | 65.4 | 54% | 0.542 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 132.8 | -173.2 | -165.9 | 170.5 | 27.7 | 0 | 0 | 110.8 | G158 P273 G274 | G158-Q160 PolarHBondContact O-N 3.28Å; Q160-P273 HydrophobicContact CG-CB 3.85Å; Q160-G274 WeakPolarHBondContact CG-O 3.45Å; Q160-G274 PolarHBondContact NE2-O 2.99Å |
| 161 | G | 59.7 | Low | 59.6 | Low | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 145.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G113 L159 G274 P275 | G113-G161 WeakPolarHBondContact O-CA 3.1Å; L159-G161 PolarHBondContact O-N 2.87Å; G161-G274 PolarHBondContact O-N 3.4Å; G161-P275 PolarHBondContact N-O 3Å |
| 162 | P | 61.4 | Low | 60 | Low | 76 Ų | 76 | 62 Ų | 62 | 49% | 0.494 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 153.5 | -178.1 | 24.8 | -34.3 | 0 | 0 | 0 | 111 | P115 G116 G164 | P115-P162 WeakPolarHBondContact CA-O 3.11Å; P115-P162 HydrophobicContact CB-CG 4.14Å; P115-P162 HydrophobicContact CG-CG 4.06Å; G116-P162 PolarHBondContact N-O 2.93Å; P162-G164 PolarHBondContact O-N 3.19Å |
| 163 | P | 59.6 | Low | 60.4 | Low | 74 Ų | 74 | 60.1 Ų | 60.1 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 139.4 | 174.3 | -26.2 | 33.7 | 0 | 0 | 0 | 112.1 | I270 P273 | P163-I270 HydrophobicContact CB-CG2 3.48Å; P163-I270 VanDerWaalsContact CB-CG2 3.48Å; P163-P273 HydrophobicContact CG-CG 4.38Å |
| 164 | G | 60.4 | Low | 60.7 | Low | 2 Ų | 2 | 63.2 Ų | 63.2 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 155.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G116 P162 I270 G271 | G116-G164 WeakPolarHBondContact O-CA 3.36Å; P162-G164 PolarHBondContact O-N 3.19Å; G164-I270 WeakPolarHBondContact O-CG2 3.27Å; G164-G271 PolarHBondContact N-O 3.32Å; G164-G271 PolarHBondContact O-N 3.37Å |
| 165 | P | 62.2 | Low | 60.6 | Low | 75 Ų | 75 | 63.4 Ų | 63.4 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 158.7 | 175.1 | 25.8 | -34.3 | 0 | 0 | 0 | 111.1 | P118 G119 G271 | P118-P165 WeakPolarHBondContact CA-O 3.45Å; P118-P165 HydrophobicContact CB-CG 4.02Å; P118-P165 HydrophobicContact CG-CG 3.94Å; G119-P165 PolarHBondContact N-O 2.72Å; P165-G271 PolarHBondContact O-N 3.36Å |
| 166 | P | 61.2 | Low | 60.1 | Low | 76 Ų | 76 | 64.8 Ų | 64.8 | 49% | 0.494 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -47.6 | 146.7 | 168.9 | -25.5 | 33.9 | 0 | 0 | 0 | 111.6 | I270 | P166-I270 HydrophobicContact CG-CG1 4.13Š|
| 167 | G | 55.7 | Low | 59.4 | Low | 3 Ų | 3 | 73.1 Ų | 73.1 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 152.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G119 G268 | G119-G167 WeakPolarHBondContact O-CA 3.39Å; G167-G268 PolarHBondContact N-O 3.13Å; G167-G268 PolarHBondContact O-N 2.91Å |
| 168 | D | 62.3 | Low | 58.6 | Low | 114 Ų | 114 | 73.3 Ų | 73.3 | 61% | 0.61 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 154.2 | 175.3 | -58.6 | -69.3 | 0 | 0 | 0 | 111.7 | P121 G122 | P121-D168 CarbonylContact C-O 3.45Å; P121-D168 WeakPolarHBondContact CA-O 3.27Å; P121-D168 HydrophobicContact CB-CB 4.49Å; G122-D168 PolarHBondContact N-O 3.02Å |
| 169 | P | 62 | Low | 57.8 | Low | 83 Ų | 83 | 74.6 Ų | 74.6 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 146.9 | 171.5 | -26.3 | 36 | 0 | 0 | 0 | 112.4 | G265 | P169-G265 WeakPolarHBondContact CA-O 3.27Å; P169-G265 WeakPolarHBondContact CB-O 3.48Å |
| 170 | G | 55.5 | Low | 56.5 | Low | 5 Ų | 5 | 74.2 Ų | 74.2 | 5% | 0.052 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -75.7 | 140.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G122 G265 | G122-G170 WeakPolarHBondContact O-CA 3.4Å; G170-G265 PolarHBondContact N-O 2.96Å; G170-G265 PolarHBondContact O-N 2.96Å |
| 171 | E | 60 | Low | 55.2 | Low | 161 Ų | 161 | 74.5 Ų | 74.5 | 75% | 0.752 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 144.3 | 174.9 | -62.3 | -175.8 | 145.8 | 0 | 0 | 111.8 | P124 | P124-E171 VanDerWaalsContact CA-O 3.23Å; P124-E171 WeakPolarHBondContact CA-O 3.5Å; P124-E171 VanDerWaalsContact CB-O 3.23Å; P124-E171 WeakPolarHBondContact CB-O 3.08Å; P124-E171 HydrophobicContact CG-CB 4.25Å |
| 172 | A | 60.2 | Low | 54.2 | Low | 55 Ų | 55 | 77.4 Ų | 77.4 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 139.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N174 | A172-N174 PolarHBondContact O-N 2.87Š|
| 173 | G | 55.7 | Low | 53.4 | Low | 5 Ų | 5 | 78.4 Ų | 78.4 | 5% | 0.052 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 126.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G125 G262 | G125-G173 WeakPolarHBondContact O-CA 3.41Å; G173-G262 PolarHBondContact O-N 3.1Å |
| 174 | N | 58.9 | Low | 52.5 | Low | 139 Ų | 139 | 82.7 Ų | 82.7 | 74% | 0.743 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 130.6 | 179.5 | -85 | -58.5 | 0 | 0 | 0 | 112.3 | A172 | A172-N174 PolarHBondContact O-N 2.87Š|
| 175 | P | 54.7 | Low | 51.8 | Low | 56 Ų | 56 | 85.2 Ų | 85.2 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 144.2 | -178.7 | -27.9 | 36.1 | 0 | 0 | 0 | 114.4 | Q258 P261 | P175-Q258 VanDerWaalsContact CB-CD 3.46Å; P175-Q258 HydrophobicContact CB-CG 3.63Å; P175-P261 HydrophobicContact CG-CG 4.33Å |
| 176 | G | 49.5 | Very low | 51 | Low | 30 Ų | 30 | 87.5 Ų | 87.5 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 150.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q258 G259 | G176-Q258 WeakPolarHBondContact O-CA 3.43Å; G176-Q258 WeakPolarHBondContact O-CB 3.45Å; G176-Q258 VanDerWaalsContact O-CG 3.27Å; G176-Q258 WeakPolarHBondContact O-CG 3.38Å; G176-Q258 PolarHBondContact O-NE2 3.29Å; G176-Q258 VanDerWaalsContact O-NE2 3.11Å; G176-G259 PolarHBondContact N-O 3.45Å |
| 177 | R | 50.2 | Low | 50.3 | Low | 242 Ų | 242 | 89.9 Ų | 89.9 | 91% | 0.913 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 136.7 | 172.5 | -101 | -174.6 | 174.4 | 178.9 | -0.8 | 110.7 | ||
| 178 | P | 49.1 | Very low | 50 | Low | 80 Ų | 80 | 92.9 Ų | 92.9 | 52% | 0.519 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 144.1 | 169.9 | -20.2 | 31.7 | 0 | 0 | 0 | 111.7 | Q258 | P178-Q258 HydrophobicContact CG-CB 4.48Š|
| 179 | G | 46.5 | Very low | 49.3 | Very low | 27 Ų | 27 | 93.9 Ų | 93.9 | 28% | 0.278 | 58% | 0.576 | S | S | . | * | trans | -70.6 | 174.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K255 G256 | G179-K255 VanDerWaalsContact CA-O 3.23Å; G179-K255 WeakPolarHBondContact CA-O 3.39Å; G179-K255 PolarHBondContact N-O 3.42Å; G179-G256 WeakPolarHBondContact O-CA 3.29Å; G179-G256 PolarHBondContact O-N 3.12Å | ||
| 180 | K | 37 | Very low | 49 | Very low | 138 Ų | 138 | 99.1 Ų | 99.1 | 60% | 0.6 | 59% | 0.593 | S | S | * | * | trans | -79.2 | -158.4 | 175.8 | -58.7 | -177.4 | 179.9 | -173.8 | 0 | 112.4 | Q254 K255 G256 | K180-Q254 VanDerWaalsContact C-N 3.29Å; K180-Q254 HydrophobicContact CB-CB 4.26Å; K180-Q254 HydrophobicContact CB-CG 4.1Å; K180-Q254 VanDerWaalsContact N-OE1 3.11Å; K180-Q254 CarbonylContact O-C 3.53Å; K180-Q254 PolarHBondContact O-N 3.33Å; K180-K255 CarbonylContact O-C 3.12Å; K180-K255 WeakPolarHBondContact O-CA 3.36Å; K180-K255 PolarHBondContact O-N 3.17Å; K180-K255 VanDerWaalsContact O-N 3.1Å; K180-G256 PolarHBondContact O-N 2.88Å | ||
| 181 | D | 38.1 | Very low | 49 | Very low | 122 Ų | 122 | 101.6 Ų | 101.6 | 65% | 0.652 | 62% | 0.619 | S | S | * | * | trans | -72.8 | -135.9 | -155.9 | -42.3 | -89.3 | 0 | 0 | 0 | 115.1 | G253 Q254 | D181-G253 VanDerWaalsContact C-C 3.43Å; D181-G253 CarbonylContact O-C 3.49Å; D181-G253 VanDerWaalsContact O-C 3.26Å; D181-Q254 CarbonylContact O-C 3.31Å; D181-Q254 VanDerWaalsContact O-C 3.31Å; D181-Q254 PolarHBondContact O-N 3.25Å | ||
| 182 | A | 39.2 | Very low | 48.7 | Very low | 63 Ų | 63 | 99.8 Ų | 99.8 | 52% | 0.521 | 62% | 0.621 | S | S | . | * | cis | -154.9 | -172.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | L251 | A182-L251 WeakPolarHBondContact CB-O 3.32Š| ||
| 183 | A | 43.6 | Very low | 48.8 | Very low | 97 Ų | 97 | 103.3 Ų | 103.3 | 80% | 0.802 | 64% | 0.639 | S | S | * | * | trans | -143.8 | 157.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 184 | M | 40.4 | Very low | 48.9 | Very low | 164 Ų | 164 | 106.3 Ų | 106.3 | 81% | 0.808 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 141.8 | -177.3 | -172.8 | 168.5 | 68.7 | 0 | 0 | 111.9 | ||
| 185 | G | 45.4 | Very low | 48.8 | Very low | 55 Ų | 55 | 105.5 Ų | 105.5 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -76 | 155.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 186 | P | 45.5 | Very low | 49.1 | Very low | 122 Ų | 122 | 109 Ų | 109 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 157 | 176.6 | 32.2 | -35.6 | 0 | 0 | 0 | 112.5 | ||
| 187 | P | 46.8 | Very low | 49.4 | Very low | 127 Ų | 127 | 111.1 Ų | 111.1 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 154.1 | 172.8 | -23.3 | 34.7 | 0 | 0 | 0 | 113.7 | ||
| 188 | G | 49.4 | Very low | 49.7 | Very low | 66 Ų | 66 | 104.1 Ų | 104.1 | 68% | 0.68 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -75 | 159.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 189 | P | 48.1 | Very low | 50.5 | Low | 134 Ų | 134 | 106.4 Ų | 106.4 | 87% | 0.87 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 155.6 | 177.8 | 32.1 | -35.7 | 0 | 0 | 0 | 112.7 | ||
| 190 | Q | 56.1 | Low | 51.1 | Low | 193 Ų | 193 | 108.2 Ų | 108.2 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -67 | 143.8 | 174.8 | -169.9 | 177.5 | 15 | 0 | 0 | 111.8 | ||
| 191 | G | 55.6 | Low | 52.1 | Low | 58 Ų | 58 | 108.1 Ų | 108.1 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 156.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 192 | P | 53.6 | Low | 53.5 | Low | 122 Ų | 122 | 110.2 Ų | 110.2 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 157.6 | -179.8 | 31.9 | -36 | 0 | 0 | 0 | 112.9 | ||
| 193 | P | 61.8 | Low | 54.6 | Low | 129 Ų | 129 | 110.8 Ų | 110.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 151.6 | 172.4 | -22.6 | 34.2 | 0 | 0 | 0 | 113.7 | ||
| 194 | G | 56.8 | Low | 55.1 | Low | 68 Ų | 68 | 110.8 Ų | 110.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 161 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 195 | P | 56.4 | Low | 56.4 | Low | 122 Ų | 122 | 109.1 Ų | 109.1 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 155.9 | -179.8 | 31.6 | -35.9 | 0 | 0 | 0 | 112.8 | ||
| 196 | P | 62.6 | Low | 57.3 | Low | 129 Ų | 129 | 110 Ų | 110 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 150.1 | 170.6 | -22.4 | 34 | 0 | 0 | 0 | 113.2 | ||
| 197 | G | 56 | Low | 57.6 | Low | 75 Ų | 75 | 112 Ų | 112 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 156.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 198 | A | 55.7 | Low | 58.2 | Low | 96 Ų | 96 | 111.7 Ų | 111.7 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 150 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 199 | P | 65.6 | Low | 58.6 | Low | 128 Ų | 128 | 112.1 Ų | 112.1 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 149.9 | 168.4 | -23 | 34.2 | 0 | 0 | 0 | 112.7 | ||
| 200 | G | 58.9 | Low | 58.9 | Low | 65 Ų | 65 | 113.8 Ų | 113.8 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74 | 162.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 201 | P | 59.2 | Low | 58.5 | Low | 135 Ų | 135 | 110.9 Ų | 110.9 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 152.8 | 176.9 | 31.8 | -35.6 | 0 | 0 | 0 | 112.4 | ||
| 202 | D | 67 | Low | 58.1 | Low | 166 Ų | 166 | 113.1 Ų | 113.1 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 151.9 | 175 | -62.1 | -53.2 | 0 | 0 | 0 | 112.7 | ||
| 203 | G | 62.8 | Low | 57.7 | Low | 75 Ų | 75 | 116 Ų | 116 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 149.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 204 | A | 53.9 | Low | 57.1 | Low | 98 Ų | 98 | 115.1 Ų | 115.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 141.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 205 | P | 66.8 | Low | 56.5 | Low | 128 Ų | 128 | 120.5 Ų | 120.5 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 150 | 172.8 | -22.4 | 33.9 | 0 | 0 | 0 | 113.2 | ||
| 206 | G | 64.6 | Low | 56.1 | Low | 74 Ų | 74 | 120.8 Ų | 120.8 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 151.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 207 | D | 51.4 | Low | 55 | Low | 163 Ų | 163 | 123 Ų | 123 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 144.5 | -176.8 | -73.6 | -56.4 | 0 | 0 | 0 | 113.8 | ||
| 208 | P | 60.5 | Low | 54.5 | Low | 121 Ų | 121 | 126.8 Ų | 126.8 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 142.7 | -179.8 | -20.6 | 33.5 | 0 | 0 | 0 | 115.2 | ||
| 209 | G | 58.2 | Low | 54.1 | Low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 141.8 | 170 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 210 | I | 53 | Low | 53.6 | Low | 170 Ų | 170 | 125.7 Ų | 125.7 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 134.9 | -175.6 | 29.1 | 172.2 | 0 | 0 | 0 | 113.3 | ||
| 211 | P | 47.7 | Very low | 53.2 | Low | 131 Ų | 131 | 131.6 Ų | 131.6 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 141.7 | 179.3 | -7.9 | 25.5 | 0 | 0 | 0 | 113.3 | ||
| 212 | A | 47.2 | Very low | 53 | Low | 105 Ų | 105 | 131 Ų | 131 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | trans | -120.2 | 145.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 213 | Q | 46.4 | Very low | 52.4 | Low | 184 Ų | 184 | 126.7 Ų | 126.7 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -103.5 | 143.2 | -164.2 | -65.5 | 174.4 | -40.3 | 0 | 0 | 114.2 | ||||
| 214 | S | 48.4 | Very low | 51.9 | Low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | 50.1 | 80.3 | 145.4 | 63.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 215 | Q | 43.2 | Very low | 52.2 | Low | 181 Ų | 181 | 133.2 Ų | 133.2 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -157.9 | 156.8 | 130.2 | -81.4 | -134.6 | -5.8 | 0 | 0 | 108.6 | M217 | Q215-M217 PolarHBondContact O-N 3.35Š|
| 216 | P | 48.2 | Very low | 51.6 | Low | 129 Ų | 129 | 130.6 Ų | 130.6 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -78.7 | 89 | -164.8 | 30.6 | -36 | 0 | 0 | 0 | 114.2 | ||
| 217 | M | 40.3 | Very low | 51.2 | Low | 174 Ų | 174 | 134.5 Ų | 134.5 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -136.2 | 132.1 | 154.9 | -78.3 | -171.3 | -78 | 0 | 0 | 110.5 | Q215 | Q215-M217 PolarHBondContact O-N 3.35Š| ||
| 218 | I | 45.3 | Very low | 51.7 | Low | 156 Ų | 156 | 132.5 Ų | 132.5 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | 22.3 | 115.3 | 158.7 | -49.6 | 173.3 | 0 | 0 | 0 | 117.1 | G220 | I218-G220 PolarHBondContact O-N 2.91Š| ||
| 219 | P | 48.2 | Very low | 51.6 | Low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 129.5 | 166.4 | -20.4 | 32.8 | 0 | 0 | 0 | 111.6 | ||
| 220 | G | 54.3 | Low | 51.3 | Low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 148.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I218 | I218-G220 PolarHBondContact O-N 2.91Š|
| 221 | E | 49.9 | Very low | 51.6 | Low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 148.5 | 179.6 | -65.4 | -178.1 | 99.5 | 0 | 0 | 111.9 | ||
| 222 | P | 55.6 | Low | 51.9 | Low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 137.6 | 173.6 | -21 | 33.3 | 0 | 0 | 0 | 111.5 | ||
| 223 | G | 55.5 | Low | 52.2 | Low | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 136.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 224 | E | 51.1 | Low | 52.8 | Low | 184 Ų | 184 | 127.7 Ų | 127.7 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 146.1 | -179 | -63.9 | -172.5 | 102.5 | 0 | 0 | 111.8 | G226 | E224-G226 PolarHBondContact O-N 2.78Š|
| 225 | P | 59.8 | Low | 53.1 | Low | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 134.8 | 172.1 | -21.4 | 33.3 | 0 | 0 | 0 | 111.1 | ||
| 226 | G | 55.7 | Low | 53.5 | Low | 74 Ų | 74 | 122.5 Ų | 122.5 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 137.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | E224 | E224-G226 PolarHBondContact O-N 2.78Š|
| 227 | D | 55.6 | Low | 54.2 | Low | 155 Ų | 155 | 122.4 Ų | 122.4 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 141.3 | -178.2 | -77 | -57.9 | 0 | 0 | 0 | 112.7 | G229 | D227-G229 PolarHBondContact O-N 3.5Š|
| 228 | P | 61.8 | Low | 55 | Low | 121 Ų | 121 | 117.5 Ų | 117.5 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 129.5 | 168.3 | -24.4 | 34.3 | 0 | 0 | 0 | 111 | ||
| 229 | G | 57.2 | Low | 55.4 | Low | 66 Ų | 66 | 117.3 Ų | 117.3 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 141.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D227 Q231 | D227-G229 PolarHBondContact O-N 3.5Å; G229-Q231 PolarHBondContact O-N 3.44Å |
| 230 | P | 52.5 | Low | 56 | Low | 127 Ų | 127 | 117.1 Ų | 117.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 140.2 | -173.2 | 24.5 | -34.6 | 0 | 0 | 0 | 110.9 | G232 | P230-G232 PolarHBondContact O-N 3.17Å; P230-G232 VanDerWaalsContact O-N 3.1Å |
| 231 | Q | 60.3 | Low | 56.1 | Low | 193 Ų | 193 | 117 Ų | 117 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 120.8 | 176 | -175.4 | 178.3 | 15.2 | 0 | 0 | 109.5 | G229 | G229-Q231 PolarHBondContact O-N 3.44Š|
| 232 | G | 53.5 | Low | 56.2 | Low | 54 Ų | 54 | 116.6 Ų | 116.6 | 56% | 0.557 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 139.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P230 | P230-G232 PolarHBondContact O-N 3.17Å; P230-G232 VanDerWaalsContact O-N 3.1Å |
| 233 | P | 52.8 | Low | 56.2 | Low | 120 Ų | 120 | 118.5 Ų | 118.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 142.7 | -176.2 | 24.8 | -34.3 | 0 | 0 | 0 | 110.1 | G235 | P233-G235 PolarHBondContact O-N 2.88Š|
| 234 | P | 60.2 | Low | 56.2 | Low | 125 Ų | 125 | 118.1 Ų | 118.1 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 130.1 | 172.3 | -26.3 | 34.8 | 0 | 0 | 0 | 110.1 | ||
| 235 | G | 54.8 | Low | 56.1 | Low | 61 Ų | 61 | 118.2 Ų | 118.2 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 146.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | P233 | P233-G235 PolarHBondContact O-N 2.88Š|
| 236 | P | 51.7 | Low | 55.7 | Low | 120 Ų | 120 | 118.3 Ų | 118.3 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 146.9 | 177 | 25.9 | -34.5 | 0 | 0 | 0 | 109.8 | G238 | P236-G238 PolarHBondContact O-N 2.88Š|
| 237 | P | 62.5 | Low | 55.1 | Low | 127 Ų | 127 | 117.7 Ų | 117.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 130.1 | 167.1 | -23.3 | 33.6 | 0 | 0 | 0 | 108.9 | ||
| 238 | G | 56.6 | Low | 54.3 | Low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -58 | 141.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P236 | P236-G238 PolarHBondContact O-N 2.88Š|
| 239 | D | 53.1 | Low | 53.6 | Low | 152 Ų | 152 | 116 Ų | 116 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 143.4 | 179.1 | -67 | -65 | 0 | 0 | 0 | 110.8 | G241 | D239-G241 PolarHBondContact O-N 3.35Å; D239-G241 VanDerWaalsContact O-N 3.08Å |
| 240 | P | 60.6 | Low | 52.8 | Low | 121 Ų | 121 | 114.8 Ų | 114.8 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 121.6 | 168.4 | -24.2 | 34 | 0 | 0 | 0 | 109.3 | M242 | P240-M242 PolarHBondContact O-N 3.47Š|
| 241 | G | 57.5 | Low | 52.1 | Low | 71 Ų | 71 | 116.4 Ų | 116.4 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 131.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | D239 D243 | D239-G241 PolarHBondContact O-N 3.35Å; D239-G241 VanDerWaalsContact O-N 3.08Å; G241-D243 PolarHBondContact O-N 3.39Å |
| 242 | M | 51 | Low | 51.3 | Low | 183 Ų | 183 | 116.2 Ų | 116.2 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 136 | -177.6 | -67.1 | 178.4 | 65.7 | 0 | 0 | 110.5 | P240 G244 | P240-M242 PolarHBondContact O-N 3.47Å; M242-G244 PolarHBondContact O-N 2.96Å; M242-G244 VanDerWaalsContact O-N 3.11Å |
| 243 | D | 57 | Low | 50.7 | Low | 162 Ų | 162 | 114.2 Ų | 114.2 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 122.1 | 168.5 | -73.3 | -48.8 | 0 | 0 | 0 | 108.5 | G241 E245 | G241-D243 PolarHBondContact O-N 3.39Å; D243-E245 PolarHBondContact O-N 3.34Å |
| 244 | G | 53.9 | Low | 49.9 | Very low | 68 Ų | 68 | 114 Ų | 114 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 132.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | M242 | M242-G244 PolarHBondContact O-N 2.96Å; M242-G244 VanDerWaalsContact O-N 3.11Å |
| 245 | E | 48.9 | Very low | 49.5 | Very low | 186 Ų | 186 | 115.1 Ų | 115.1 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 135 | -177.6 | -72.2 | -168.9 | 101.9 | 0 | 0 | 110.8 | D243 G247 | D243-E245 PolarHBondContact O-N 3.34Å; E245-G247 PolarHBondContact O-N 2.99Å |
| 246 | P | 52.3 | Low | 49.3 | Very low | 126 Ų | 126 | 114.4 Ų | 114.4 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 116.9 | 176.4 | -27.7 | 35.1 | 0 | 0 | 0 | 110.2 | ||
| 247 | G | 43.7 | Very low | 48.8 | Very low | 61 Ų | 61 | 114.3 Ų | 114.3 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 134.3 | -180 | 0 | 0 | 0 | 0 | 0 | 110 | E245 | E245-G247 PolarHBondContact O-N 2.99Š|
| 248 | P | 37.8 | Very low | 48.1 | Very low | 119 Ų | 119 | 113.6 Ų | 113.6 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 142.5 | -168.8 | 22 | -33.9 | 0 | 0 | 0 | 110.5 | G250 | P248-G250 PolarHBondContact O-N 3.26Š|
| 249 | P | 48.2 | Very low | 47.9 | Very low | 122 Ų | 122 | 111.5 Ų | 111.5 | 79% | 0.792 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 116.7 | -173.3 | -30.7 | 35.3 | 0 | 0 | 0 | 112 | L251 | P249-L251 PolarHBondContact O-N 3.08Å; P249-L251 VanDerWaalsContact O-N 3.11Å |
| 250 | G | 40.6 | Very low | 47.7 | Very low | 40 Ų | 40 | 109.7 Ų | 109.7 | 41% | 0.412 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -51.8 | 121.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | P248 K252 | P248-G250 PolarHBondContact O-N 3.26Å; G250-K252 PolarHBondContact O-N 3.49Å |
| 251 | L | 36.1 | Very low | 47.4 | Very low | 161 Ų | 161 | 108.1 Ų | 108.1 | 84% | 0.843 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 125.8 | -167.1 | -75.8 | 174.9 | 0 | 0 | 0 | 111 | A182 P249 G253 | A182-L251 WeakPolarHBondContact CB-O 3.32Å; P249-L251 PolarHBondContact O-N 3.08Å; P249-L251 VanDerWaalsContact O-N 3.11Å; L251-G253 VanDerWaalsContact C-N 3.26Å; L251-G253 PolarHBondContact O-N 2.92Å |
| 252 | K | 44.8 | Very low | 47.3 | Very low | 190 Ų | 190 | 105.9 Ų | 105.9 | 83% | 0.826 | 63% | 0.628 | S | S | * | * | trans | -66.7 | 88.7 | 172.7 | -176 | -179.7 | 176.7 | -178.7 | 0 | 109.9 | G250 | G250-K252 PolarHBondContact O-N 3.49Š| ||
| 253 | G | 40.8 | Very low | 47.4 | Very low | 12 Ų | 12 | 102.5 Ų | 102.5 | 12% | 0.124 | 62% | 0.62 | C | S | . | * | trans | -60.4 | 158.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D181 L251 | D181-G253 VanDerWaalsContact C-C 3.43Å; D181-G253 CarbonylContact O-C 3.49Å; D181-G253 VanDerWaalsContact O-C 3.26Å; L251-G253 VanDerWaalsContact C-N 3.26Å; L251-G253 PolarHBondContact O-N 2.92Å | ||
| 254 | Q | 35.8 | Very low | 47.5 | Very low | 116 Ų | 116 | 100.9 Ų | 100.9 | 54% | 0.542 | 61% | 0.611 | S | S | . | * | trans | -98.8 | -102.6 | -161.9 | -58.7 | 161.1 | -10.4 | 0 | 0 | 109.3 | K180 D181 | K180-Q254 VanDerWaalsContact C-N 3.29Å; K180-Q254 HydrophobicContact CB-CB 4.26Å; K180-Q254 HydrophobicContact CB-CG 4.1Å; K180-Q254 VanDerWaalsContact N-OE1 3.11Å; K180-Q254 CarbonylContact O-C 3.53Å; K180-Q254 PolarHBondContact O-N 3.33Å; D181-Q254 CarbonylContact O-C 3.31Å; D181-Q254 VanDerWaalsContact O-C 3.31Å; D181-Q254 PolarHBondContact O-N 3.25Å | ||
| 255 | K | 51.5 | Low | 47.6 | Very low | 148 Ų | 148 | 97.9 Ų | 97.9 | 64% | 0.643 | 58% | 0.581 | S | S | * | * | trans | -162.6 | 133.5 | 140.1 | -170.6 | 169.8 | 174.5 | 177.1 | 0 | 110.1 | G179 K180 I257 | G179-K255 VanDerWaalsContact CA-O 3.23Å; G179-K255 WeakPolarHBondContact CA-O 3.39Å; G179-K255 PolarHBondContact N-O 3.42Å; K180-K255 CarbonylContact O-C 3.12Å; K180-K255 WeakPolarHBondContact O-CA 3.36Å; K180-K255 PolarHBondContact O-N 3.17Å; K180-K255 VanDerWaalsContact O-N 3.1Å; K255-I257 HydrophobicContact CD-CD1 4.04Å; K255-I257 HydrophobicContact CD-CG1 4.09Å; K255-I257 HydrophobicContact CG-CD1 4.48Å; K255-I257 HydrophobicContact CG-CG1 4.03Å; K255-I257 PolarHBondContact O-N 2.92Å | ||
| 256 | G | 49.9 | Very low | 48.2 | Very low | 46 Ų | 46 | 96.2 Ų | 96.2 | 47% | 0.474 | 58% | 0.577 | S | S | . | * | trans | -70.5 | 89.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | G179 K180 | G179-G256 WeakPolarHBondContact O-CA 3.29Å; G179-G256 PolarHBondContact O-N 3.12Å; K180-G256 PolarHBondContact O-N 2.88Å | ||
| 257 | I | 42.9 | Very low | 48.6 | Very low | 117 Ų | 117 | 94.3 Ų | 94.3 | 60% | 0.6 | 56% | 0.564 | S | S | * | * | trans | -125.9 | 109.1 | 162.4 | -48.3 | -176.4 | 0 | 0 | 0 | 108 | K255 G259 | K255-I257 HydrophobicContact CD-CD1 4.04Å; K255-I257 HydrophobicContact CD-CG1 4.09Å; K255-I257 HydrophobicContact CG-CD1 4.48Å; K255-I257 HydrophobicContact CG-CG1 4.03Å; K255-I257 PolarHBondContact O-N 2.92Å; I257-G259 PolarHBondContact O-N 3.42Å | ||
| 258 | Q | 47.8 | Very low | 49.3 | Very low | 112 Ų | 112 | 91.6 Ų | 91.6 | 52% | 0.523 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 125.2 | 165.8 | 165.2 | 153.8 | 88.6 | 0 | 0 | 108.4 | P175 G176 P178 | P175-Q258 VanDerWaalsContact CB-CD 3.46Å; P175-Q258 HydrophobicContact CB-CG 3.63Å; G176-Q258 WeakPolarHBondContact O-CA 3.43Å; G176-Q258 WeakPolarHBondContact O-CB 3.45Å; G176-Q258 VanDerWaalsContact O-CG 3.27Å; G176-Q258 WeakPolarHBondContact O-CG 3.38Å; G176-Q258 PolarHBondContact O-NE2 3.29Å; G176-Q258 VanDerWaalsContact O-NE2 3.11Å; P178-Q258 HydrophobicContact CG-CB 4.48Å |
| 259 | G | 51.5 | Low | 50.4 | Low | 29 Ų | 29 | 90.8 Ų | 90.8 | 30% | 0.299 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 145.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | G176 I257 | G176-G259 PolarHBondContact N-O 3.45Å; I257-G259 PolarHBondContact O-N 3.42Å |
| 260 | P | 49.3 | Very low | 51.3 | Low | 113 Ų | 113 | 90.5 Ų | 90.5 | 73% | 0.734 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -57 | 156.4 | 176.7 | 27.3 | -35.5 | 0 | 0 | 0 | 110.5 | G262 | P260-G262 PolarHBondContact O-N 2.97Š|
| 261 | P | 54.8 | Low | 52.3 | Low | 89 Ų | 89 | 88.7 Ų | 88.7 | 58% | 0.578 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -49.1 | 137.5 | 167 | -23.3 | 32.9 | 0 | 0 | 0 | 110 | P175 | P175-P261 HydrophobicContact CG-CG 4.33Š|
| 262 | G | 54.2 | Low | 53.6 | Low | 23 Ų | 23 | 85.4 Ų | 85.4 | 24% | 0.237 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 145.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | G173 P260 | G173-G262 PolarHBondContact O-N 3.1Å; P260-G262 PolarHBondContact O-N 2.97Å |
| 263 | P | 54.1 | Low | 54.4 | Low | 113 Ų | 113 | 79.3 Ų | 79.3 | 73% | 0.734 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 150 | 173 | 27.2 | -35.2 | 0 | 0 | 0 | 110 | G265 | P263-G265 PolarHBondContact O-N 3.32Š|
| 264 | D | 59.6 | Low | 55.4 | Low | 127 Ų | 127 | 78.8 Ų | 78.8 | 68% | 0.679 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 136.1 | 178.8 | -61.7 | -43.8 | 0 | 0 | 0 | 110.6 | L266 | D264-L266 PolarHBondContact O-N 2.76Š|
| 265 | G | 55.7 | Low | 56.7 | Low | 6 Ų | 6 | 77 Ų | 77 | 6% | 0.062 | 46% | 0.464 | C | S | . | . | B | Isolated β-bridge | trans | -62.8 | 123.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P169 G170 P263 | P169-G265 WeakPolarHBondContact CA-O 3.27Å; P169-G265 WeakPolarHBondContact CB-O 3.48Å; G170-G265 PolarHBondContact N-O 2.96Å; G170-G265 PolarHBondContact O-N 2.96Å; P263-G265 PolarHBondContact O-N 3.32Å |
| 266 | L | 60.2 | Low | 57.2 | Low | 151 Ų | 151 | 73.7 Ų | 73.7 | 79% | 0.791 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -46.1 | 142.7 | 176.1 | -68.6 | 176.5 | 0 | 0 | 0 | 110.5 | G122 D264 G268 | G122-L266 WeakPolarHBondContact CA-O 3.25Å; D264-L266 PolarHBondContact O-N 2.76Å; L266-G268 PolarHBondContact O-N 2.88Å |
| 267 | P | 61.5 | Low | 57.7 | Low | 86 Ų | 86 | 71.7 Ų | 71.7 | 56% | 0.558 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -46 | 135.7 | 178.6 | -29.7 | 35.2 | 0 | 0 | 0 | 111.9 | ||
| 268 | G | 58.9 | Low | 58.8 | Low | 3 Ų | 3 | 74.2 Ų | 74.2 | 3% | 0.031 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -55.8 | 142.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K120 G167 L266 | K120-G268 WeakPolarHBondContact O-CA 3.49Å; G167-G268 PolarHBondContact N-O 3.13Å; G167-G268 PolarHBondContact O-N 2.91Å; L266-G268 PolarHBondContact O-N 2.88Å |
| 269 | P | 60.9 | Low | 59.3 | Low | 102 Ų | 102 | 72.6 Ų | 72.6 | 66% | 0.662 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 146.2 | 179.9 | 25.7 | -35 | 0 | 0 | 0 | 110.2 | G119 G271 | G119-P269 WeakPolarHBondContact CA-O 3.41Å; P269-G271 PolarHBondContact O-N 2.9Å |
| 270 | I | 66.8 | Low | 59.6 | Low | 116 Ų | 116 | 71.7 Ų | 71.7 | 60% | 0.595 | 44% | 0.436 | S | S | * | . | trans | -43.3 | 129.1 | 174.6 | -69.8 | 174.8 | 0 | 0 | 0 | 109.1 | P163 G164 P166 | P163-I270 HydrophobicContact CB-CG2 3.48Å; P163-I270 VanDerWaalsContact CB-CG2 3.48Å; G164-I270 WeakPolarHBondContact O-CG2 3.27Å; P166-I270 HydrophobicContact CG-CG1 4.13Å | ||
| 271 | G | 61.7 | Low | 60.2 | Low | 2 Ų | 2 | 73.9 Ų | 73.9 | 2% | 0.021 | 44% | 0.437 | C | S | . | . | trans | -56.1 | 144.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G164 P165 P269 | G164-G271 PolarHBondContact N-O 3.32Å; G164-G271 PolarHBondContact O-N 3.37Å; P165-G271 PolarHBondContact O-N 3.36Å; P269-G271 PolarHBondContact O-N 2.9Å | ||
| 272 | P | 63.9 | Low | 60.3 | Low | 92 Ų | 92 | 77.1 Ų | 77.1 | 60% | 0.597 | 44% | 0.442 | S | S | * | . | trans | -53.2 | 149.1 | 177.2 | 25.7 | -34.6 | 0 | 0 | 0 | 109.6 | G116 | G116-P272 VanDerWaalsContact CA-O 3.3Å; G116-P272 WeakPolarHBondContact CA-O 3.05Å | ||
| 273 | P | 60.7 | Low | 60.2 | Low | 63 Ų | 63 | 76.6 Ų | 76.6 | 41% | 0.409 | 44% | 0.436 | S | S | . | . | trans | -43.5 | 149.5 | 167.9 | -29.9 | 36.6 | 0 | 0 | 0 | 111.8 | Q160 P163 | Q160-P273 HydrophobicContact CG-CB 3.85Å; P163-P273 HydrophobicContact CG-CG 4.38Å | ||
| 274 | G | 62.2 | Low | 60.2 | Low | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.01 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 165.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V114 Q160 G161 | V114-G274 WeakPolarHBondContact O-CA 3.35Å; Q160-G274 WeakPolarHBondContact CG-O 3.45Å; Q160-G274 PolarHBondContact NE2-O 2.99Å; G161-G274 PolarHBondContact O-N 3.4Å |
| 275 | P | 63 | Low | 59.8 | Low | 79 Ų | 79 | 73 Ų | 73 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 151.7 | 156.7 | 29.1 | -34.5 | 0 | 0 | 0 | 108.5 | G113 V114 G161 | G113-P275 WeakPolarHBondContact CA-O 3.44Å; V114-P275 HydrophobicContact CG2-CG 4.16Å; G161-P275 PolarHBondContact N-O 3Å |
| 276 | P | 61.4 | Low | 59.4 | Low | 77 Ų | 77 | 74.5 Ų | 74.5 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -48.6 | 154.8 | 162.4 | -26.3 | 35.8 | 0 | 0 | 0 | 110.9 | P157 | P157-P276 HydrophobicContact CB-CB 3.79Š|
| 277 | G | 60.2 | Low | 58.8 | Low | 5 Ų | 5 | 75.5 Ų | 75.5 | 5% | 0.052 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 155.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | L111 G158 | L111-G277 WeakPolarHBondContact O-CA 3.46Å; G158-G277 PolarHBondContact O-N 3.38Å |
| 278 | Q | 66.6 | Low | 57.8 | Low | 169 Ų | 169 | 79.2 Ų | 79.2 | 79% | 0.79 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 143.9 | 167.3 | -72.5 | -170 | 68.5 | 0 | 0 | 108.5 | G110 G280 | G110-Q278 WeakPolarHBondContact CA-O 3.24Å; Q278-G280 PolarHBondContact O-N 3.01Å |
| 279 | P | 58.4 | Low | 57 | Low | 79 Ų | 79 | 83.8 Ų | 83.8 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 142.8 | 174.7 | -23.4 | 33.4 | 0 | 0 | 0 | 110.3 | P154 | P154-P279 HydrophobicContact CB-CB 3.39Å; P154-P279 HydrophobicContact CG-CB 3.99Å |
| 280 | G | 57.3 | Low | 56.2 | Low | 9 Ų | 9 | 80.7 Ų | 80.7 | 9% | 0.093 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 169.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P108 P154 G155 Q278 | P108-G280 WeakPolarHBondContact O-CA 3.29Å; P154-G280 WeakPolarHBondContact CB-O 3.27Å; G155-G280 PolarHBondContact O-N 3.21Å; Q278-G280 PolarHBondContact O-N 3.01Å |
| 281 | E | 61.8 | Low | 55.5 | Low | 160 Ų | 160 | 83.9 Ų | 83.9 | 75% | 0.748 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -56.8 | 150.4 | 174.8 | -64.1 | -167.4 | 144.4 | 0 | 0 | 110.7 | G155 G283 | G155-E281 PolarHBondContact N-O 3.14Å; G155-E281 VanDerWaalsContact N-O 3.13Å; E281-G283 PolarHBondContact O-N 2.93Å |
| 282 | K | 57.4 | Low | 55.1 | Low | 157 Ų | 157 | 91.3 Ų | 91.3 | 68% | 0.683 | 49% | 0.494 | S | S | * | . | B | Isolated β-bridge | trans | -62.2 | 132.3 | -176.1 | -69.8 | -179.1 | 179 | 177.6 | 0 | 110.2 | ||
| 283 | G | 52.5 | Low | 54.5 | Low | 12 Ų | 12 | 90.2 Ų | 90.2 | 12% | 0.124 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 143 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E281 C285 | E281-G283 PolarHBondContact O-N 2.93Å; G283-C285 PolarHBondContact O-N 3.24Å; G283-C285 VanDerWaalsContact O-N 3.1Å |
| 284 | I | 52.4 | Low | 53.6 | Low | 104 Ų | 104 | 87.8 Ų | 87.8 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | trans | -79.1 | 96.7 | -177.8 | -60.8 | 151 | 0 | 0 | 0 | 108.5 | P286 V295 F297 | I284-P286 VanDerWaalsContact O-CD 3.3Å; I284-P286 WeakPolarHBondContact O-CD 3.07Å; I284-V295 HydrophobicContact CG2-CG1 3.81Å; I284-F297 HydrophobicContact CD1-CE1 3.76Å; I284-F297 HydrophobicContact CD1-CZ 4.09Å; I284-F297 HydrophobicContact CG1-CE1 4.17Å; I284-F297 HydrophobicContact CG2-CD1 4.05Å; I284-F297 HydrophobicContact CG2-CE1 3.64Å; I284-F297 HydrophobicContact CG2-CZ 3.94Å | ||
| 285 | C | 52.7 | Low | 53 | Low | 59 Ų | 59 | 89.9 Ų | 89.9 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | trans | -89.5 | 107.7 | 173.6 | -75.4 | 0 | 0 | 0 | 0 | 110.2 | C152 G283 | C152-C285 HydrophobicContact CB-CB 4.31Å; C152-C285 WeakPolarHBondContact CB-SG 3.47Å; C152-C285 WeakPolarHBondContact SG-CB 3.33Å; C152-C285 CovalentContact SG-SG 2.04Å; C152-C285 PolarHBondContact SG-SG 3.42Å; G283-C285 PolarHBondContact O-N 3.24Å; G283-C285 VanDerWaalsContact O-N 3.1Å | ||
| 286 | P | 47.1 | Very low | 52 | Low | 38 Ų | 38 | 90.4 Ų | 90.4 | 25% | 0.247 | 49% | 0.493 | C | S | . | . | trans | -66.9 | 139.9 | -179.8 | 26.5 | -33.1 | 0 | 0 | 0 | 111.2 | I284 Y288 V295 | I284-P286 VanDerWaalsContact O-CD 3.3Å; I284-P286 WeakPolarHBondContact O-CD 3.07Å; P286-Y288 PolarHBondContact O-N 3.35Å; P286-Y288 VanDerWaalsContact O-N 3.14Å; P286-V295 HydrophobicContact CB-CG1 4.01Å; P286-V295 HydrophobicContact CG-CG1 4.32Å | ||
| 287 | K | 46.3 | Very low | 51.4 | Low | 173 Ų | 173 | 88.9 Ų | 88.9 | 75% | 0.752 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -63.8 | -21.8 | -177 | -170.4 | 174.7 | 178.1 | -179.3 | 0 | 113.6 | ||
| 288 | Y | 41.1 | Very low | 50.9 | Low | 164 Ų | 164 | 93.9 Ų | 93.9 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -139.7 | 125.7 | 172.6 | -57.4 | -81.9 | 0 | 0 | 0 | 108.6 | P286 A290 | P286-Y288 PolarHBondContact O-N 3.35Å; P286-Y288 VanDerWaalsContact O-N 3.14Å; Y288-A290 PolarHBondContact O-N 3.38Å |
| 289 | C | 43.3 | Very low | 50.5 | Low | 99 Ų | 99 | 92.5 Ų | 92.5 | 67% | 0.669 | 52% | 0.517 | S | S | * | . | trans | -71.1 | 107.6 | 160.2 | -64.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 290 | A | 42.5 | Very low | 50.1 | Low | 36 Ų | 36 | 91.9 Ų | 91.9 | 30% | 0.298 | 53% | 0.525 | S | S | . | . | trans | -63.1 | 138.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | Y288 D292 G293 F296 | Y288-A290 PolarHBondContact O-N 3.38Å; A290-D292 PolarHBondContact O-N 3.43Å; A290-G293 PolarHBondContact O-N 2.98Å; A290-F296 HydrophobicContact CB-CE2 4.28Å | ||
| 291 | L | 53.7 | Low | 49.6 | Very low | 184 Ų | 184 | 94.5 Ų | 94.5 | 96% | 0.963 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.2 | -177.5 | -70.5 | 165.1 | 0 | 0 | 0 | 112.9 | ||
| 292 | D | 53.1 | Low | 48.7 | Very low | 158 Ų | 158 | 94.3 Ų | 94.3 | 85% | 0.845 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 21.1 | 174.7 | -44.9 | -59.4 | 0 | 0 | 0 | 114.1 | A290 G294 | A290-D292 PolarHBondContact O-N 3.43Å; D292-G294 PolarHBondContact O-N 2.9Å |
| 293 | G | 50.6 | Low | 48.3 | Very low | 68 Ų | 68 | 95.1 Ų | 95.1 | 70% | 0.701 | 53% | 0.531 | S | S | * | . | trans | 73.8 | 13.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | A290 | A290-G293 PolarHBondContact O-N 2.98Š| ||
| 294 | G | 41.7 | Very low | 48.1 | Very low | 13 Ų | 13 | 107.2 Ų | 107.2 | 13% | 0.134 | 57% | 0.573 | C | S | . | * | trans | -80.5 | 124.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | D292 F296 | D292-G294 PolarHBondContact O-N 2.9Å; G294-F296 WeakPolarHBondContact O-CD2 3.33Å | ||
| 295 | V | 49.3 | Very low | 47.9 | Very low | 45 Ų | 45 | 107.4 Ų | 107.4 | 27% | 0.273 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.2 | 118.9 | 177.3 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | I284 P286 F297 | I284-V295 HydrophobicContact CG2-CG1 3.81Å; P286-V295 HydrophobicContact CB-CG1 4.01Å; P286-V295 HydrophobicContact CG-CG1 4.32Å; V295-F297 HydrophobicContact CB-CE2 4.1Å; V295-F297 HydrophobicContact CG1-CD2 4.05Å; V295-F297 HydrophobicContact CG1-CE2 3.54Å; V295-F297 HydrophobicContact CG1-CZ 3.98Å |
| 296 | F | 42.7 | Very low | 47.6 | Very low | 89 Ų | 89 | 109.9 Ų | 109.9 | 39% | 0.39 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.4 | 171.6 | -73 | -88.5 | 0 | 0 | 0 | 111.1 | A290 G294 R302 | A290-F296 HydrophobicContact CB-CE2 4.28Å; G294-F296 WeakPolarHBondContact O-CD2 3.33Å; F296-R302 HydrophobicContact CD1-CB 4.43Å; F296-R302 HydrophobicContact CE1-CB 4.31Å; F296-R302 HydrophobicContact CE1-CG 4.47Å |
| 297 | F | 48.2 | Very low | 47.7 | Very low | 46 Ų | 46 | 113.9 Ų | 113.9 | 20% | 0.202 | 60% | 0.602 | C | S | . | * | trans | -93 | 160.2 | -175.1 | -68.8 | -109.9 | 0 | 0 | 0 | 111.7 | I284 V295 D299 G300 T301 R303 | I284-F297 HydrophobicContact CD1-CE1 3.76Å; I284-F297 HydrophobicContact CD1-CZ 4.09Å; I284-F297 HydrophobicContact CG1-CE1 4.17Å; I284-F297 HydrophobicContact CG2-CD1 4.05Å; I284-F297 HydrophobicContact CG2-CE1 3.64Å; I284-F297 HydrophobicContact CG2-CZ 3.94Å; V295-F297 HydrophobicContact CB-CE2 4.1Å; V295-F297 HydrophobicContact CG1-CD2 4.05Å; V295-F297 HydrophobicContact CG1-CE2 3.54Å; V295-F297 HydrophobicContact CG1-CZ 3.98Å; F297-D299 PolarHBondContact O-N 2.97Å; F297-G300 PolarHBondContact O-N 2.91Å; F297-G300 VanDerWaalsContact O-N 3.1Å; F297-T301 WeakPolarHBondContact CB-O 3.43Å; F297-T301 WeakPolarHBondContact CD2-O 3.11Å; F297-T301 PolarHBondContact N-O 3.03Å; F297-R303 HydrophobicContact CD2-CG 4.46Å; F297-R303 HydrophobicContact CE2-CB 3.81Å; F297-R303 HydrophobicContact CE2-CG 3.86Å; F297-R303 HydrophobicContact CZ-CB 4.23Å; F297-R303 HydrophobicContact CZ-CG 4.15Å | ||
| 298 | A | 50.7 | Low | 47.7 | Very low | 110 Ų | 110 | 110.4 Ų | 110.4 | 91% | 0.909 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -32.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | G300 | A298-G300 PolarHBondContact O-N 3.42Å; A298-G300 VanDerWaalsContact O-N 3.12Å |
| 299 | D | 58.1 | Low | 48.2 | Very low | 139 Ų | 139 | 107.1 Ų | 107.1 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 13.1 | 179.1 | -42.1 | -46.9 | 0 | 0 | 0 | 113.3 | F297 T301 | F297-D299 PolarHBondContact O-N 2.97Å; D299-T301 PolarHBondContact O-N 3.23Å; D299-T301 VanDerWaalsContact O-N 3.09Å |
| 300 | G | 49.4 | Very low | 48.5 | Very low | 66 Ų | 66 | 107.6 Ų | 107.6 | 68% | 0.68 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 70.8 | -1.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F297 A298 | F297-G300 PolarHBondContact O-N 2.91Å; F297-G300 VanDerWaalsContact O-N 3.1Å; A298-G300 PolarHBondContact O-N 3.42Å; A298-G300 VanDerWaalsContact O-N 3.12Å |
| 301 | T | 46.2 | Very low | 48.9 | Very low | 64 Ų | 64 | 112.7 Ų | 112.7 | 39% | 0.393 | 61% | 0.606 | S | S | . | * | trans | -79 | 149.2 | 179 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | F297 D299 | F297-T301 WeakPolarHBondContact CB-O 3.43Å; F297-T301 WeakPolarHBondContact CD2-O 3.11Å; F297-T301 PolarHBondContact N-O 3.03Å; D299-T301 PolarHBondContact O-N 3.23Å; D299-T301 VanDerWaalsContact O-N 3.09Å | ||
| 302 | R | 42.7 | Very low | 48.5 | Very low | 157 Ų | 157 | 107.2 Ų | 107.2 | 59% | 0.592 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.6 | 172.9 | 178.8 | -175.2 | -179.7 | -179 | 5.7 | 107.9 | F296 | F296-R302 HydrophobicContact CD1-CB 4.43Å; F296-R302 HydrophobicContact CE1-CB 4.31Å; F296-R302 HydrophobicContact CE1-CG 4.47Å |
| 303 | R | 50.8 | Low | 48.2 | Very low | 173 Ų | 173 | 103 Ų | 103 | 65% | 0.653 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 146.8 | 167 | -58.7 | -172.7 | -177.5 | -165.7 | 1.3 | 108.6 | F297 | F297-R303 HydrophobicContact CD2-CG 4.46Å; F297-R303 HydrophobicContact CE2-CB 3.81Å; F297-R303 HydrophobicContact CE2-CG 3.86Å; F297-R303 HydrophobicContact CZ-CB 4.23Å; F297-R303 HydrophobicContact CZ-CG 4.15Å |
| 304 | R | 47.5 | Very low | 47.9 | Very low | 266 Ų | 266 | 106.2 Ų | 106.2 | 100% | 1.004 | 54% | 0.543 | S | S | * | . | trans | -96 | 0 | 166.9 | -71.9 | -169.5 | -176.8 | -160.5 | 4.1 | 108.7 |
Retrieved 304 of 304 residues in 200.3 ms
(Link to these results)