| 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 | 42.9 | Very low | 58.9 | Low | 227 Ų | 227 | 123.9 Ų | 123.9 | 100% | 1.118 | 69% | 0.692 | S | S | * | * | 0 | 107 | 0 | -27.6 | -47.9 | 167.8 | 0 | 0 | 106.3 | L3 | M1-L3 PolarHBondContact O-N 3.24Š| |||
| 2 | T | 49 | Very low | 59.2 | Low | 128 Ų | 128 | 117.1 Ų | 117.1 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | trans | -85 | 69.3 | -153.7 | 44.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 3 | L | 53.7 | Low | 59.8 | Low | 163 Ų | 163 | 114 Ų | 114 | 85% | 0.853 | 64% | 0.642 | S | S | * | * | trans | -87.9 | 7.2 | 179.2 | -95 | 156.2 | 0 | 0 | 0 | 115.1 | M1 | M1-L3 PolarHBondContact O-N 3.24Š| ||
| 4 | I | 56.5 | Low | 60.3 | Low | 140 Ų | 140 | 114.6 Ų | 114.6 | 72% | 0.718 | 64% | 0.641 | S | S | * | * | trans | -139.3 | 48.2 | -168.9 | -45 | 168.4 | 0 | 0 | 0 | 112 | V7 | I4-V7 HydrophobicContact CG2-CB 4.33Å; I4-V7 HydrophobicContact CG2-CG2 4.19Å | ||
| 5 | E | 59.3 | Low | 60.4 | Low | 177 Ų | 177 | 113.6 Ų | 113.6 | 83% | 0.827 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -98.7 | -7.1 | 167.8 | -101.9 | 174.5 | 159.3 | 0 | 0 | 113.1 | ||
| 6 | G | 58.9 | Low | 60.6 | Low | 46 Ų | 46 | 110.6 Ų | 110.6 | 47% | 0.474 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -100.8 | -21.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | G8 E10 | G6-G8 PolarHBondContact O-N 3.4Å; G6-E10 WeakPolarHBondContact O-CG 3.26Å |
| 7 | V | 60 | Low | 61.1 | Low | 93 Ų | 93 | 108.5 Ų | 108.5 | 56% | 0.564 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.2 | -30.2 | -171 | -178.9 | 0 | 0 | 0 | 0 | 112.3 | I4 V11 | I4-V7 HydrophobicContact CG2-CB 4.33Å; I4-V7 HydrophobicContact CG2-CG2 4.19Å; V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 2.63Å |
| 8 | G | 62.9 | Low | 61.3 | Low | 46 Ų | 46 | 108.6 Ų | 108.6 | 47% | 0.474 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -75.3 | -35.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G6 T12 | G6-G8 PolarHBondContact O-N 3.4Å; G8-T12 PolarHBondContact O-N 3.48Å; G8-T12 PolarHBondContact O-OG1 2.85Å |
| 9 | D | 67.9 | Low | 61.3 | Low | 113 Ų | 113 | 105.1 Ų | 105.1 | 60% | 0.604 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.6 | -44.7 | -178.1 | -165.5 | 36.2 | 0 | 0 | 0 | 111.3 | V11 T12 V13 | D9-V11 VanDerWaalsContact C-N 3.3Å; D9-V11 PolarHBondContact O-N 3.27Å; D9-T12 WeakPolarHBondContact O-CA 3.35Å; D9-T12 WeakPolarHBondContact O-CB 3.29Å; D9-T12 PolarHBondContact O-N 3.13Å; D9-V13 WeakPolarHBondContact O-CG2 3.39Å; D9-V13 PolarHBondContact O-N 3.22Å |
| 10 | E | 73.5 | Confident | 61.5 | Low | 141 Ų | 141 | 103.7 Ų | 103.7 | 66% | 0.659 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -54.6 | -43.7 | 175.1 | -70.6 | -73 | 163.6 | 0 | 0 | 112.4 | G6 T12 V13 L14 | G6-E10 WeakPolarHBondContact O-CG 3.26Å; E10-T12 VanDerWaalsContact C-N 3.29Å; E10-T12 PolarHBondContact O-N 3.3Å; E10-V13 PolarHBondContact O-N 2.89Å; E10-L14 WeakPolarHBondContact O-CB 3.45Å; E10-L14 PolarHBondContact O-N 2.91Å |
| 11 | V | 63.4 | Low | 61.8 | Low | 89 Ų | 89 | 103.7 Ų | 103.7 | 54% | 0.539 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.1 | -35.2 | 177.9 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | V7 D9 F15 | V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 2.63Å; D9-V11 VanDerWaalsContact C-N 3.3Å; D9-V11 PolarHBondContact O-N 3.27Å; V11-F15 WeakPolarHBondContact O-CB 3.43Å; V11-F15 PolarHBondContact O-N 3.16Å |
| 12 | T | 62.1 | Low | 63 | Low | 42 Ų | 42 | 96.8 Ų | 96.8 | 26% | 0.258 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.2 | -43.2 | 177.7 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | G8 D9 E10 F15 S16 A225 | G8-T12 PolarHBondContact O-N 3.48Å; G8-T12 PolarHBondContact O-OG1 2.85Å; D9-T12 WeakPolarHBondContact O-CA 3.35Å; D9-T12 WeakPolarHBondContact O-CB 3.29Å; D9-T12 PolarHBondContact O-N 3.13Å; E10-T12 VanDerWaalsContact C-N 3.29Å; E10-T12 PolarHBondContact O-N 3.3Å; T12-F15 PolarHBondContact O-N 2.81Å; T12-S16 VanDerWaalsContact O-CB 3.25Å; T12-S16 WeakPolarHBondContact O-CB 3.5Å; T12-S16 PolarHBondContact O-N 2.95Å; T12-A225 HydrophobicContact CG2-CB 4.47Å |
| 13 | V | 66.7 | Low | 63.9 | Low | 77 Ų | 77 | 94.8 Ų | 94.8 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -47.1 | 173.9 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | D9 E10 F15 S16 V17 | D9-V13 WeakPolarHBondContact O-CG2 3.39Å; D9-V13 PolarHBondContact O-N 3.22Å; E10-V13 PolarHBondContact O-N 2.89Å; V13-F15 PolarHBondContact O-N 3.29Å; V13-S16 PolarHBondContact O-N 2.76Å; V13-V17 HydrophobicContact CG1-CG2 4.32Å; V13-V17 WeakPolarHBondContact O-CB 3.47Å; V13-V17 VanDerWaalsContact O-CG2 3.25Å; V13-V17 WeakPolarHBondContact O-CG2 3.26Å; V13-V17 PolarHBondContact O-N 2.74Å |
| 14 | L | 66.9 | Low | 64.9 | Low | 122 Ų | 122 | 92.8 Ų | 92.8 | 64% | 0.639 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59 | -46.2 | 177.7 | -178.9 | 67.2 | 0 | 0 | 0 | 111.9 | E10 V17 L18 | E10-L14 WeakPolarHBondContact O-CB 3.45Å; E10-L14 PolarHBondContact O-N 2.91Å; L14-V17 PolarHBondContact O-N 3.43Å; L14-L18 WeakPolarHBondContact O-CB 3.5Å; L14-L18 PolarHBondContact O-N 2.59Å |
| 15 | F | 62.7 | Low | 65.6 | Low | 100 Ų | 100 | 88.5 Ų | 88.5 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 179.8 | -166.6 | -92.4 | 0 | 0 | 0 | 112 | V11 T12 V13 L18 A19 L210 | V11-F15 WeakPolarHBondContact O-CB 3.43Å; V11-F15 PolarHBondContact O-N 3.16Å; T12-F15 PolarHBondContact O-N 2.81Å; V13-F15 PolarHBondContact O-N 3.29Å; F15-L18 PolarHBondContact O-N 3.09Å; F15-A19 WeakPolarHBondContact O-CB 3.44Å; F15-A19 PolarHBondContact O-N 3.01Å; F15-L210 HydrophobicContact CE1-CD2 4.19Å; F15-L210 HydrophobicContact CZ-CD2 4.34Å; F15-L210 HydrophobicContact CZ-CG 4.24Å |
| 16 | S | 62.7 | Low | 66.1 | Low | 66 Ų | 66 | 83 Ų | 83 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 174.8 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | T12 V13 A19 C20 | T12-S16 VanDerWaalsContact O-CB 3.25Å; T12-S16 WeakPolarHBondContact O-CB 3.5Å; T12-S16 PolarHBondContact O-N 2.95Å; V13-S16 PolarHBondContact O-N 2.76Å; S16-A19 PolarHBondContact O-N 2.83Å; S16-C20 WeakPolarHBondContact O-CB 3.05Å; S16-C20 PolarHBondContact O-N 2.83Å; S16-C20 PolarHBondContact O-SG 2.97Å; S16-C20 VanDerWaalsContact O-SG 3.41Å |
| 17 | V | 69.1 | Low | 66.8 | Low | 74 Ų | 74 | 83.2 Ų | 83.2 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | V13 L14 A19 C20 L21 | V13-V17 HydrophobicContact CG1-CG2 4.32Å; V13-V17 WeakPolarHBondContact O-CB 3.47Å; V13-V17 VanDerWaalsContact O-CG2 3.25Å; V13-V17 WeakPolarHBondContact O-CG2 3.26Å; V13-V17 PolarHBondContact O-N 2.74Å; L14-V17 PolarHBondContact O-N 3.43Å; V17-A19 VanDerWaalsContact C-N 3.34Å; V17-A19 PolarHBondContact O-N 2.84Å; V17-C20 PolarHBondContact O-N 2.82Å; V17-L21 HydrophobicContact CG1-CD1 4.03Å; V17-L21 HydrophobicContact CG1-CG 4.38Å; V17-L21 WeakPolarHBondContact O-CB 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.33Å; V17-L21 PolarHBondContact O-N 2.81Å |
| 18 | L | 64.6 | Low | 67.5 | Low | 111 Ų | 111 | 86.9 Ų | 86.9 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 178 | -171.1 | 72.5 | 0 | 0 | 0 | 111.6 | L14 F15 L21 L22 | L14-L18 WeakPolarHBondContact O-CB 3.5Å; L14-L18 PolarHBondContact O-N 2.59Å; F15-L18 PolarHBondContact O-N 3.09Å; L18-L21 PolarHBondContact O-N 3.24Å; L18-L22 WeakPolarHBondContact O-CB 3.31Å; L18-L22 PolarHBondContact O-N 2.86Å |
| 19 | A | 62.7 | Low | 67.9 | Low | 41 Ų | 41 | 89.2 Ų | 89.2 | 34% | 0.339 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F15 S16 V17 L21 L22 V23 | F15-A19 WeakPolarHBondContact O-CB 3.44Å; F15-A19 PolarHBondContact O-N 3.01Å; S16-A19 PolarHBondContact O-N 2.83Å; V17-A19 VanDerWaalsContact C-N 3.34Å; V17-A19 PolarHBondContact O-N 2.84Å; A19-L21 PolarHBondContact O-N 3.41Å; A19-L22 PolarHBondContact O-N 3.23Å; A19-V23 VanDerWaalsContact O-CG2 3.32Å; A19-V23 WeakPolarHBondContact O-CG2 3.39Å; A19-V23 PolarHBondContact O-N 2.81Å |
| 20 | C | 64.9 | Low | 67.9 | Low | 78 Ų | 78 | 87 Ų | 87 | 53% | 0.527 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 174.2 | -78.7 | 0 | 0 | 0 | 0 | 112 | S16 V17 V23 L24 | S16-C20 WeakPolarHBondContact O-CB 3.05Å; S16-C20 PolarHBondContact O-N 2.83Å; S16-C20 PolarHBondContact O-SG 2.97Å; S16-C20 VanDerWaalsContact O-SG 3.41Å; V17-C20 PolarHBondContact O-N 2.82Å; C20-V23 PolarHBondContact O-N 3.32Å; C20-L24 WeakPolarHBondContact O-CB 3.22Å; C20-L24 PolarHBondContact O-N 3.32Å |
| 21 | L | 68.4 | Low | 68 | Low | 104 Ų | 104 | 85.6 Ų | 85.6 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 176.3 | -74.2 | 174.5 | 0 | 0 | 0 | 112 | V17 L18 A19 L24 A25 | V17-L21 HydrophobicContact CG1-CD1 4.03Å; V17-L21 HydrophobicContact CG1-CG 4.38Å; V17-L21 WeakPolarHBondContact O-CB 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.33Å; V17-L21 PolarHBondContact O-N 2.81Å; L18-L21 PolarHBondContact O-N 3.24Å; A19-L21 PolarHBondContact O-N 3.41Å; L21-L24 PolarHBondContact O-N 2.98Å; L21-A25 VanDerWaalsContact O-CB 3.29Å; L21-A25 WeakPolarHBondContact O-CB 3.12Å; L21-A25 PolarHBondContact O-N 3.16Å |
| 22 | L | 66.8 | Low | 67.2 | Low | 82 Ų | 82 | 86.3 Ų | 86.3 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 175.5 | -176.1 | 69.1 | 0 | 0 | 0 | 111.2 | L18 A19 L24 A25 L26 L206 | L18-L22 WeakPolarHBondContact O-CB 3.31Å; L18-L22 PolarHBondContact O-N 2.86Å; A19-L22 PolarHBondContact O-N 3.23Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-A25 PolarHBondContact O-N 3.39Å; L22-L26 HydrophobicContact CG-CD1 4.21Å; L22-L26 WeakPolarHBondContact O-CB 3.33Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.16Å; L22-L26 PolarHBondContact O-N 3.43Å; L22-L206 HydrophobicContact CD2-CD2 4.09Å |
| 23 | V | 69.2 | Low | 66.6 | Low | 85 Ų | 85 | 89.7 Ų | 89.7 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.6 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | A19 C20 L26 A27 | A19-V23 VanDerWaalsContact O-CG2 3.32Å; A19-V23 WeakPolarHBondContact O-CG2 3.39Å; A19-V23 PolarHBondContact O-N 2.81Å; C20-V23 PolarHBondContact O-N 3.32Å; V23-L26 PolarHBondContact O-N 3.49Å; V23-A27 VanDerWaalsContact O-CB 3.24Å; V23-A27 WeakPolarHBondContact O-CB 3.44Å; V23-A27 PolarHBondContact O-N 3.43Å |
| 24 | L | 74.2 | Confident | 65.6 | Low | 122 Ų | 122 | 89.8 Ų | 89.8 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.1 | -41.8 | 175.4 | -127.5 | 73.2 | 0 | 0 | 0 | 111.7 | C20 L21 L22 A27 W28 | C20-L24 WeakPolarHBondContact O-CB 3.22Å; C20-L24 PolarHBondContact O-N 3.32Å; L21-L24 PolarHBondContact O-N 2.98Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L24-A27 PolarHBondContact O-N 3.31Å; L24-W28 WeakPolarHBondContact O-CB 3.5Å; L24-W28 PolarHBondContact O-N 2.96Å |
| 25 | A | 69.7 | Low | 64.7 | Low | 50 Ų | 50 | 93.1 Ų | 93.1 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L21 L22 W28 V29 | L21-A25 VanDerWaalsContact O-CB 3.29Å; L21-A25 WeakPolarHBondContact O-CB 3.12Å; L21-A25 PolarHBondContact O-N 3.16Å; L22-A25 PolarHBondContact O-N 3.39Å; A25-W28 PolarHBondContact O-N 2.79Å; A25-V29 WeakPolarHBondContact O-CB 3.32Å; A25-V29 VanDerWaalsContact O-CG2 3.22Å; A25-V29 WeakPolarHBondContact O-CG2 3.31Å; A25-V29 PolarHBondContact O-N 3.37Å |
| 26 | L | 70.1 | Confident | 63.9 | Low | 62 Ų | 62 | 92.1 Ų | 92.1 | 33% | 0.325 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 175.3 | -72.8 | 172.1 | 0 | 0 | 0 | 111.7 | L22 V23 W28 V29 S30 | L22-L26 HydrophobicContact CG-CD1 4.21Å; L22-L26 WeakPolarHBondContact O-CB 3.33Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.16Å; L22-L26 PolarHBondContact O-N 3.43Å; V23-L26 PolarHBondContact O-N 3.49Å; L26-W28 VanDerWaalsContact C-N 3.32Å; L26-V29 PolarHBondContact O-N 3.28Å; L26-S30 WeakPolarHBondContact O-CB 3.44Å; L26-S30 PolarHBondContact O-N 2.98Å |
| 27 | A | 73.6 | Confident | 62.9 | Low | 49 Ų | 49 | 92.4 Ų | 92.4 | 41% | 0.405 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -39.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | V23 L24 S30 T31 | V23-A27 VanDerWaalsContact O-CB 3.24Å; V23-A27 WeakPolarHBondContact O-CB 3.44Å; V23-A27 PolarHBondContact O-N 3.43Å; L24-A27 PolarHBondContact O-N 3.31Å; A27-S30 PolarHBondContact O-N 3.18Å; A27-T31 VanDerWaalsContact O-CB 3.32Å; A27-T31 WeakPolarHBondContact O-CB 3.37Å; A27-T31 PolarHBondContact O-N 3.38Å; A27-T31 PolarHBondContact O-OG1 2.91Å |
| 28 | W | 76.5 | Confident | 61.5 | Low | 171 Ų | 171 | 96.3 Ų | 96.3 | 65% | 0.648 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.5 | -47.5 | 176 | -166.9 | 84.5 | 0 | 0 | 0 | 111.3 | L24 A25 L26 S30 T31 H32 | L24-W28 WeakPolarHBondContact O-CB 3.5Å; L24-W28 PolarHBondContact O-N 2.96Å; A25-W28 PolarHBondContact O-N 2.79Å; L26-W28 VanDerWaalsContact C-N 3.32Å; W28-S30 VanDerWaalsContact C-N 3.32Å; W28-S30 PolarHBondContact O-N 3.09Å; W28-T31 CarbonylContact O-C 3.49Å; W28-T31 PolarHBondContact O-N 2.94Å; W28-T31 VanDerWaalsContact O-N 3.13Å; W28-H32 HydrophobicContact CE3-CB 4.49Å; W28-H32 AromaticContact CH2-CD2 3.45Å; W28-H32 VanDerWaalsContact CH2-CD2 3.45Å; W28-H32 WeakPolarHBondContact CH2-CD2 3.4Å; W28-H32 AromaticContact CZ2-CD2 3.88Å; W28-H32 HydrophobicContact CZ3-CB 4.48Å; W28-H32 AromaticContact CZ3-CD2 3.79Å; W28-H32 VanDerWaalsContact O-CB 3.27Å; W28-H32 WeakPolarHBondContact O-CB 3.37Å; W28-H32 PolarHBondContact O-N 2.9Å |
| 29 | V | 70.4 | Confident | 60.6 | Low | 95 Ų | 95 | 96.1 Ų | 96.1 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.8 | -38.6 | 174.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | A25 L26 T31 H32 | A25-V29 WeakPolarHBondContact O-CB 3.32Å; A25-V29 VanDerWaalsContact O-CG2 3.22Å; A25-V29 WeakPolarHBondContact O-CG2 3.31Å; A25-V29 PolarHBondContact O-N 3.37Å; L26-V29 PolarHBondContact O-N 3.28Å; V29-T31 VanDerWaalsContact C-N 3.29Å; V29-T31 PolarHBondContact O-N 2.98Å; V29-H32 PolarHBondContact O-N 2.78Å |
| 30 | S | 68.7 | Low | 60.2 | Low | 66 Ų | 66 | 102.1 Ų | 102.1 | 46% | 0.462 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.8 | -30.7 | 175.1 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | L26 A27 W28 | L26-S30 WeakPolarHBondContact O-CB 3.44Å; L26-S30 PolarHBondContact O-N 2.98Å; A27-S30 PolarHBondContact O-N 3.18Å; W28-S30 VanDerWaalsContact C-N 3.32Å; W28-S30 PolarHBondContact O-N 3.09Å |
| 31 | T | 75.6 | Confident | 59.5 | Low | 111 Ų | 111 | 103.7 Ų | 103.7 | 68% | 0.681 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -86.5 | -21 | 176.4 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | A27 W28 V29 T33 | A27-T31 VanDerWaalsContact O-CB 3.32Å; A27-T31 WeakPolarHBondContact O-CB 3.37Å; A27-T31 PolarHBondContact O-N 3.38Å; A27-T31 PolarHBondContact O-OG1 2.91Å; W28-T31 CarbonylContact O-C 3.49Å; W28-T31 PolarHBondContact O-N 2.94Å; W28-T31 VanDerWaalsContact O-N 3.13Å; V29-T31 VanDerWaalsContact C-N 3.29Å; V29-T31 PolarHBondContact O-N 2.98Å; T31-T33 PolarHBondContact O-N 3.23Å |
| 32 | H | 46.7 | Very low | 58.4 | Low | 105 Ų | 105 | 107.1 Ų | 107.1 | 49% | 0.486 | 63% | 0.634 | S | S | . | * | trans | -78.1 | 68.6 | 175.2 | -161.3 | -66.6 | 0 | 0 | 0 | 109.9 | W28 V29 A34 | W28-H32 HydrophobicContact CE3-CB 4.49Å; W28-H32 AromaticContact CH2-CD2 3.45Å; W28-H32 VanDerWaalsContact CH2-CD2 3.45Å; W28-H32 WeakPolarHBondContact CH2-CD2 3.4Å; W28-H32 AromaticContact CZ2-CD2 3.88Å; W28-H32 HydrophobicContact CZ3-CB 4.48Å; W28-H32 AromaticContact CZ3-CD2 3.79Å; W28-H32 VanDerWaalsContact O-CB 3.27Å; W28-H32 WeakPolarHBondContact O-CB 3.37Å; W28-H32 PolarHBondContact O-N 2.9Å; V29-H32 PolarHBondContact O-N 2.78Å; H32-A34 PolarHBondContact O-N 3.11Å | ||
| 33 | T | 47.7 | Very low | 57.8 | Low | 113 Ų | 113 | 109 Ų | 109 | 69% | 0.693 | 65% | 0.652 | S | S | * | * | trans | -60.9 | 105.9 | 155.6 | 51.5 | 0 | 0 | 0 | 0 | 106.1 | T31 E35 | T31-T33 PolarHBondContact O-N 3.23Å; T33-E35 PolarHBondContact O-N 3.49Å | ||
| 34 | A | 47.6 | Very low | 56.5 | Low | 78 Ų | 78 | 110.6 Ų | 110.6 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | trans | -54.1 | 107.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | H32 G36 | H32-A34 PolarHBondContact O-N 3.11Å; A34-G36 PolarHBondContact O-N 3.16Å | ||
| 35 | E | 46.3 | Very low | 55.2 | Low | 192 Ų | 192 | 107.8 Ų | 107.8 | 90% | 0.897 | 67% | 0.667 | S | S | * | * | trans | -65.4 | 82.1 | 159 | -75.5 | 169.5 | 110.5 | 0 | 0 | 106.3 | T33 G37 | T33-E35 PolarHBondContact O-N 3.49Å; E35-G37 PolarHBondContact O-N 3.44Å | ||
| 36 | G | 47.5 | Very low | 54 | Low | 80 Ų | 80 | 111.3 Ų | 111.3 | 83% | 0.825 | 68% | 0.684 | S | S | * | * | trans | -71.8 | 93.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | A34 | A34-G36 PolarHBondContact O-N 3.16Š| ||
| 37 | G | 39.9 | Very low | 52.7 | Low | 72 Ų | 72 | 113.9 Ų | 113.9 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | trans | 108.9 | 75.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | E35 | E35-G37 PolarHBondContact O-N 3.44Š| ||
| 38 | D | 40.6 | Very low | 51.3 | Low | 156 Ų | 156 | 117.4 Ų | 117.4 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | trans | -73.1 | 160.3 | 135.2 | -118.3 | -43.3 | 0 | 0 | 0 | 108.3 | ||||
| 39 | P | 46.8 | Very low | 49.6 | Very low | 107 Ų | 107 | 114.3 Ų | 114.3 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | cis | -142.1 | 162 | -0.2 | 38.2 | -18.6 | 0 | 0 | 0 | 115.3 | ||||
| 40 | L | 53.7 | Low | 48.2 | Very low | 166 Ų | 166 | 115.1 Ų | 115.1 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | trans | -146.9 | 133.1 | 140.7 | -157.6 | 72.1 | 0 | 0 | 0 | 110.9 | Q42 | L40-Q42 PolarHBondContact O-N 3.22Š| ||
| 41 | P | 50.7 | Low | 47.1 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -73.3 | 128.9 | -168.4 | -7.3 | 24.3 | 0 | 0 | 0 | 110.9 | P43 | P41-P43 VanDerWaalsContact O-CD 3.28Å; P41-P43 WeakPolarHBondContact O-CD 3.38Å | ||
| 42 | Q | 44 | Very low | 45.4 | Very low | 175 Ų | 175 | 121.3 Ų | 121.3 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -85.9 | 110.8 | 164.7 | -131.5 | 178.8 | 6.2 | 0 | 0 | 107.9 | L40 S44 | L40-Q42 PolarHBondContact O-N 3.22Å; Q42-S44 PolarHBondContact O-N 3.42Å; Q42-S44 VanDerWaalsContact O-N 3.12Å | ||
| 43 | P | 54.6 | Low | 45.3 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -77.7 | 98.1 | 164.9 | 29.2 | -24.4 | 0 | 0 | 0 | 107.5 | P41 G45 | P41-P43 VanDerWaalsContact O-CD 3.28Å; P41-P43 WeakPolarHBondContact O-CD 3.38Å; P43-G45 PolarHBondContact O-N 3.23Å | ||
| 44 | S | 42.7 | Very low | 45.1 | Very low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -64.2 | 109.3 | 164.9 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | Q42 | Q42-S44 PolarHBondContact O-N 3.42Å; Q42-S44 VanDerWaalsContact O-N 3.12Å | ||
| 45 | G | 45.8 | Very low | 44.8 | Very low | 63 Ų | 63 | 121.7 Ų | 121.7 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | -169 | 130.5 | 162 | 0 | 0 | 0 | 0 | 0 | 106.7 | P43 | P43-G45 PolarHBondContact O-N 3.23Š| ||
| 46 | T | 44.8 | Very low | 44.8 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | cis | -163.2 | 144.8 | 10.3 | -68.7 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 47 | P | 42.3 | Very low | 44.5 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -76.2 | 126 | 175.6 | 31.4 | -30.8 | 0 | 0 | 0 | 108.9 | ||||
| 48 | T | 45.5 | Very low | 44.5 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -157.3 | 114.8 | 153.8 | -52.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 49 | P | 40 | Very low | 44.9 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | trans | -83.3 | 161.8 | 165.3 | 27.8 | -18 | 0 | 0 | 0 | 111.1 | ||||
| 50 | S | 41.5 | Very low | 44.6 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | 72.8 | 117.1 | 162.7 | 60.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 51 | Q | 44.3 | Very low | 44.1 | Very low | 179 Ų | 179 | 120.4 Ų | 120.4 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | 135.3 | 121.8 | 119 | -155.6 | 173.7 | 4.8 | 0 | 0 | 113.5 | |||||
| 52 | P | 39.6 | Very low | 44.1 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -87.8 | 120.5 | 176.3 | 32.7 | -27.5 | 0 | 0 | 0 | 110 | ||||
| 53 | S | 45.1 | Very low | 43.8 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -158.6 | 125.5 | 166.4 | -162.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 54 | A | 43.9 | Very low | 43.2 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | trans | 62.9 | 86 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119 | M56 | A54-M56 PolarHBondContact O-N 2.81Š| ||
| 55 | A | 40.7 | Very low | 42.9 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 93% | 0.934 | 79% | 0.789 | S | S | * | * | trans | -77.6 | 108.3 | 147.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 56 | M | 45.8 | Very low | 42.9 | Very low | 175 Ų | 175 | 129 Ų | 129 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | trans | -122.7 | 117.1 | 167.3 | -112.4 | -166.4 | -72.8 | 0 | 0 | 107.2 | A54 | A54-M56 PolarHBondContact O-N 2.81Š| ||
| 57 | A | 41.4 | Very low | 42.6 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | 171.2 | 118.1 | 132.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 58 | A | 41.5 | Very low | 42.5 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 69.5 | 115.7 | 135 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 59 | T | 48 | Very low | 42.4 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | 159.9 | 92 | 117.7 | -57.6 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 60 | D | 40.4 | Very low | 42.7 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | 73.4 | 102.5 | 89.2 | -161.9 | 21.5 | 0 | 0 | 0 | 113.6 | |||||
| 61 | S | 43.5 | Very low | 43.1 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 164.4 | 127.4 | 133.9 | -90.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 62 | M | 50.6 | Low | 42.8 | Very low | 182 Ų | 182 | 127.1 Ų | 127.1 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 85 | 104.8 | 140.5 | -65.3 | -71.2 | -77.7 | 0 | 0 | 120.6 | ||||
| 63 | R | 38 | Very low | 43 | Very low | 246 Ų | 246 | 126 Ų | 126 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | trans | -73 | 150.7 | 176.3 | 169.3 | 180 | -177.2 | 157.3 | 0.9 | 115.5 | ||||
| 64 | G | 41.4 | Very low | 43 | Very low | 69 Ų | 69 | 127.8 Ų | 127.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 123.5 | 138 | 154.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 65 | E | 36.5 | Very low | 43.1 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | cis | -173.5 | 132.2 | 0.1 | 179.1 | 86.7 | 95.9 | 0 | 0 | 105.9 | ||||
| 66 | A | 45.4 | Very low | 43.2 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | 62.4 | 154.7 | 151.4 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 67 | P | 40.4 | Very low | 42.7 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -122.8 | 162.2 | -146 | 39.9 | -23.8 | 0 | 0 | 0 | 116.8 | ||||
| 68 | G | 39.6 | Very low | 42.6 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -172.8 | 111.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 69 | A | 43.1 | Very low | 42.5 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | 91.4 | 139.6 | 78.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 70 | E | 47.4 | Very low | 42 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | 88.6 | 131.9 | 164.9 | -43.3 | -159.7 | 110.2 | 0 | 0 | 116.4 | ||||
| 71 | T | 48.2 | Very low | 42.1 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | cis | -173.2 | 147.3 | 3 | 11.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 72 | P | 39.5 | Very low | 42.1 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -122.6 | 135.9 | 153.1 | 34.4 | -21.5 | 0 | 0 | 0 | 111.7 | ||||
| 73 | S | 42.4 | Very low | 41.6 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -161.3 | 146.7 | -179.3 | -86.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 74 | L | 45.8 | Very low | 42.2 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | cis | -168.8 | 154.8 | 10.3 | -109.4 | 158.8 | 0 | 0 | 0 | 107.7 | ||||
| 75 | R | 44.9 | Very low | 42.1 | Very low | 223 Ų | 223 | 140.5 Ų | 140.5 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -44.4 | 157.7 | 167.9 | -71.8 | 168.4 | 156.6 | 127.9 | -5.2 | 114.3 | ||||
| 76 | H | 43.3 | Very low | 42.3 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | -162.2 | 136.2 | 120.8 | -107.1 | 60.5 | 0 | 0 | 0 | 113.4 | |||||
| 77 | R | 35.2 | Very low | 42.1 | Very low | 246 Ų | 246 | 140.5 Ų | 140.5 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | trans | -125.2 | 141.5 | -177.8 | 163.1 | 177 | 172.6 | 101.4 | -3.3 | 107.5 | ||||
| 78 | G | 39.4 | Very low | 41.9 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | 130.2 | 145.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 79 | Q | 40.5 | Very low | 41.7 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | cis | -176.5 | 141.9 | 7.2 | -169 | 150.2 | -21.4 | 0 | 0 | 109.4 | ||||
| 80 | A | 36.6 | Very low | 41.7 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | 72.9 | 145.1 | 144.1 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 81 | A | 43.1 | Very low | 41.3 | Very low | 101 Ų | 101 | 141 Ų | 141 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 86.7 | 123.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 82 | Q | 43 | Very low | 40.9 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | cis | -170.2 | 148.2 | 22 | -169.7 | 172.5 | 5.2 | 0 | 0 | 109.1 | ||||
| 83 | P | 39.4 | Very low | 41.7 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -106.1 | 141.5 | 176.1 | 35.9 | -25.6 | 0 | 0 | 0 | 112.6 | ||||
| 84 | E | 50.6 | Low | 42.2 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -148.3 | 128.5 | 159.9 | -85.6 | -82.7 | 84.5 | 0 | 0 | 108.9 | ||||
| 85 | P | 39.7 | Very low | 42.2 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | trans | -99.6 | 141.4 | 179.5 | 35.9 | -27.9 | 0 | 0 | 0 | 111.4 | ||||
| 86 | S | 41.7 | Very low | 42.5 | Very low | 120 Ų | 120 | 134 Ų | 134 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -165.5 | 106.7 | 154.7 | -86.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 87 | T | 40.3 | Very low | 42.6 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | trans | 9.2 | 118.8 | 138.5 | -38.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 88 | G | 36.1 | Very low | 43.3 | Very low | 70 Ų | 70 | 124.7 Ų | 124.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -176.5 | 89 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T90 | G88-T90 PolarHBondContact O-N 2.85Š| ||
| 89 | F | 36.1 | Very low | 44.1 | Very low | 205 Ų | 205 | 127.3 Ų | 127.3 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | trans | -63.7 | 112.7 | 174.3 | -154.1 | -93 | 0 | 0 | 0 | 108.9 | ||||
| 90 | T | 42.5 | Very low | 45.3 | Very low | 123 Ų | 123 | 124 Ų | 124 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -144 | 113.7 | 163.5 | -58.5 | 0 | 0 | 0 | 0 | 107.6 | G88 T92 | G88-T90 PolarHBondContact O-N 2.85Å; T90-T92 PolarHBondContact O-N 2.8Å; T90-T92 VanDerWaalsContact O-N 3.13Å | ||
| 91 | A | 39.9 | Very low | 47.2 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -63.4 | 107.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 92 | T | 39.8 | Very low | 49.1 | Very low | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 130.5 | 170.7 | -53.6 | 0 | 0 | 0 | 0 | 109.1 | T90 | T90-T92 PolarHBondContact O-N 2.8Å; T90-T92 VanDerWaalsContact O-N 3.13Å |
| 93 | P | 55.2 | Low | 51.1 | Low | 104 Ų | 104 | 118.4 Ų | 118.4 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 150.3 | 176 | -2.5 | 16.7 | 0 | 0 | 0 | 110.6 | A95 | P93-A95 PolarHBondContact O-N 3.2Š|
| 94 | P | 53.1 | Low | 53.4 | Low | 129 Ų | 129 | 115.1 Ų | 115.1 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 127.5 | -179.9 | 27.2 | -32.1 | 0 | 0 | 0 | 110 | ||
| 95 | A | 45.3 | Very low | 55.3 | Low | 83 Ų | 83 | 106.3 Ų | 106.3 | 69% | 0.686 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | P93 D97 | P93-A95 PolarHBondContact O-N 3.2Å; A95-D97 PolarHBondContact O-N 3.3Å |
| 96 | P | 52.2 | Low | 57.7 | Low | 131 Ų | 131 | 105.8 Ų | 105.8 | 85% | 0.851 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 125.2 | 178.6 | 26.9 | -31.3 | 0 | 0 | 0 | 109.7 | ||
| 97 | D | 45.8 | Very low | 60.1 | Low | 155 Ų | 155 | 100 Ų | 100 | 83% | 0.829 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 140 | 177.8 | -80.9 | -63.3 | 0 | 0 | 0 | 113.7 | A95 | A95-D97 PolarHBondContact O-N 3.3Š|
| 98 | S | 49.2 | Very low | 62.5 | Low | 94 Ų | 94 | 95.8 Ų | 95.8 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | trans | 10.5 | 133.9 | 156.9 | -48 | 0 | 0 | 0 | 0 | 119 | Q100 | S98-Q100 PolarHBondContact O-N 2.95Š| ||
| 99 | P | 56.5 | Low | 65.1 | Low | 121 Ų | 121 | 94 Ų | 94 | 79% | 0.786 | 55% | 0.545 | S | S | * | . | trans | -58.8 | 107.7 | 177.8 | 26.3 | -33.5 | 0 | 0 | 0 | 110.2 | E101 | P99-E101 PolarHBondContact O-N 3.45Š| ||
| 100 | Q | 64.7 | Low | 67.4 | Low | 120 Ų | 120 | 91.1 Ų | 91.1 | 56% | 0.561 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 120.3 | 173.4 | -70.8 | 178.8 | -13.9 | 0 | 0 | 108 | S98 W120 H122 | S98-Q100 PolarHBondContact O-N 2.95Å; Q100-W120 VanDerWaalsContact O-CZ3 3.26Å; Q100-W120 WeakPolarHBondContact O-CZ3 3.46Å; Q100-H122 PolarHBondContact OE1-CE1 2.86Å; Q100-H122 PolarHBondContact OE1-ND1 2.79Å |
| 101 | E | 77 | Confident | 69.5 | Low | 166 Ų | 166 | 90.8 Ų | 90.8 | 78% | 0.776 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 142.9 | 178.8 | -71.1 | 179.2 | 125.6 | 0 | 0 | 110.9 | P99 L103 | P99-E101 PolarHBondContact O-N 3.45Å; E101-L103 PolarHBondContact O-N 3.13Å |
| 102 | P | 82.5 | Confident | 71.7 | Confident | 68 Ų | 68 | 92.4 Ų | 92.4 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 128.9 | 175.9 | 27.5 | -33.5 | 0 | 0 | 0 | 110.4 | W120 | P102-W120 HydrophobicContact CB-CE3 4.29Å; P102-W120 HydrophobicContact CB-CH2 4.31Å; P102-W120 HydrophobicContact CB-CZ3 4.17Å |
| 103 | L | 84.7 | Confident | 74 | Confident | 21 Ų | 21 | 88.6 Ų | 88.6 | 11% | 0.11 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 123.8 | 176.8 | -168.4 | 69.2 | 0 | 0 | 0 | 109.7 | E101 L105 A119 L161 P163 | E101-L103 PolarHBondContact O-N 3.13Å; L103-L105 HydrophobicContact CD2-CD2 3.65Å; L103-L105 HydrophobicContact CD2-CG 4.18Å; L103-L105 HydrophobicContact CG-CD2 4.03Å; L103-L105 HydrophobicContact CG-CG 4.23Å; L103-A119 WeakPolarHBondContact CA-O 3.42Å; L103-A119 VanDerWaalsContact CB-O 3.29Å; L103-A119 WeakPolarHBondContact CB-O 3.32Å; L103-A119 PolarHBondContact N-O 3.05Å; L103-A119 PolarHBondContact O-N 3.44Å; L103-A119 VanDerWaalsContact O-O 3.06Å; L103-L161 HydrophobicContact CD2-CB 4.08Å; L103-P163 VanDerWaalsContact CD1-CA 3.46Å; L103-P163 HydrophobicContact CD1-CB 4.01Å |
| 104 | V | 88.2 | Confident | 75.7 | Confident | 44 Ų | 44 | 88.1 Ų | 88.1 | 27% | 0.267 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.3 | 173.6 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | V116 N164 | V104-V116 HydrophobicContact CG1-CG1 3.34Å; V104-N164 WeakPolarHBondContact O-CA 3.1Å; V104-N164 PolarHBondContact O-N 3.44Å |
| 105 | L | 90.3 | Very high | 77.5 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 140.5 | -177.6 | -60.6 | 161 | 0 | 0 | 0 | 109.2 | L103 L107 V116 A117 A119 L128 L156 L161 C165 L167 | L103-L105 HydrophobicContact CD2-CD2 3.65Å; L103-L105 HydrophobicContact CD2-CG 4.18Å; L103-L105 HydrophobicContact CG-CD2 4.03Å; L103-L105 HydrophobicContact CG-CG 4.23Å; L105-L107 HydrophobicContact CB-CD1 4.2Å; L105-V116 CarbonylContact O-C 3.48Å; L105-V116 WeakPolarHBondContact O-CA 3.46Å; L105-A117 HydrophobicContact CB-CB 4.38Å; L105-A117 PolarHBondContact N-O 2.78Å; L105-A117 PolarHBondContact O-N 2.89Å; L105-A119 HydrophobicContact CD1-CB 3.98Å; L105-L128 HydrophobicContact CD1-CD1 4.07Å; L105-L128 HydrophobicContact CD1-CD2 4.02Å; L105-L156 HydrophobicContact CD1-CD1 3.99Å; L105-L156 HydrophobicContact CD1-CD2 4.22Å; L105-L161 HydrophobicContact CD2-CD1 4.21Å; L105-C165 WeakPolarHBondContact CD2-SG 3.37Å; L105-L167 HydrophobicContact CD2-CD1 4.03Å |
| 106 | R | 91.2 | Very high | 79.6 | Confident | 97 Ų | 97 | 85.9 Ų | 85.9 | 37% | 0.366 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 107.6 | 173.8 | -74.7 | 172.3 | 69.5 | -171.3 | 3.2 | 109.6 | K108 E114 Q115 V116 C165 V166 L167 | R106-K108 PolarHBondContact O-N 3.22Å; R106-E114 IonicContact CZ-OE2 3.28Å; R106-E114 VanDerWaalsContact CZ-OE2 3.28Å; R106-E114 IonicContact NE-OE2 3.16Å; R106-E114 PolarHBondContact NE-OE2 2.78Å; R106-E114 VanDerWaalsContact NE-OE2 3.16Å; R106-E114 VanDerWaalsContact NH2-CD 3.34Å; R106-E114 IonicContact NH2-OE1 3.27Å; R106-E114 PolarHBondContact NH2-OE1 2.9Å; R106-E114 IonicContact NH2-OE2 2.63Å; R106-E114 PolarHBondContact NH2-OE2 3.38Å; R106-Q115 CarbonylContact C-O 3.56Å; R106-V116 HydrophobicContact CG-CG2 4.37Å; R106-C165 PolarHBondContact N-O 2.8Å; R106-V166 HydrophobicContact CB-CG2 4.09Å; R106-V166 CarbonylContact O-C 3.6Å; R106-V166 VanDerWaalsContact O-CA 3.22Å; R106-V166 WeakPolarHBondContact O-CA 3.36Å; R106-L167 PolarHBondContact O-N 3.29Å |
| 107 | L | 91.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 107.7 | 175.3 | -75.4 | 75.4 | 0 | 0 | 0 | 108.2 | L105 F109 E114 Q115 A117 Q132 F133 L167 C169 | L105-L107 HydrophobicContact CB-CD1 4.2Å; L107-F109 HydrophobicContact CB-CE2 4.33Å; L107-E114 CarbonylContact O-C 3.55Å; L107-E114 VanDerWaalsContact O-CA 3.31Å; L107-E114 WeakPolarHBondContact O-CA 3.25Å; L107-Q115 HydrophobicContact CB-CB 4.32Å; L107-Q115 WeakPolarHBondContact CB-O 3.14Å; L107-Q115 PolarHBondContact N-O 2.82Å; L107-Q115 PolarHBondContact O-N 3.46Å; L107-A117 HydrophobicContact CD1-CB 3.28Å; L107-Q132 HydrophobicContact CD2-CB 4.22Å; L107-Q132 HydrophobicContact CD2-CG 4.07Å; L107-F133 HydrophobicContact CD2-CE2 3.6Å; L107-F133 HydrophobicContact CD2-CZ 3.65Å; L107-L167 CarbonylContact C-O 3.59Å; L107-L167 WeakPolarHBondContact CA-O 3.36Å; L107-C169 WeakPolarHBondContact CB-SG 3.34Å; L107-C169 VanDerWaalsContact CG-SG 3.52Å |
| 108 | K | 91.7 | Very high | 83.4 | Confident | 62 Ų | 62 | 81.8 Ų | 81.8 | 27% | 0.27 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117.2 | 175.5 | -175.7 | 169.3 | -178 | 173.3 | 0 | 109.7 | R106 D112 E114 V166 L167 H168 C169 | R106-K108 PolarHBondContact O-N 3.22Å; K108-D112 IonicContact NZ-OD1 2.72Å; K108-E114 HydrophobicContact CB-CG 4.36Å; K108-E114 HydrophobicContact CG-CG 4.23Å; K108-V166 HydrophobicContact CB-CG1 3.64Å; K108-V166 HydrophobicContact CD-CG1 4.46Å; K108-L167 PolarHBondContact N-O 2.82Å; K108-H168 CarbonylContact O-C 3.54Å; K108-H168 WeakPolarHBondContact O-CA 3.29Å; K108-C169 PolarHBondContact O-N 2.78Å |
| 109 | F | 89.4 | Confident | 85.2 | Confident | 33 Ų | 33 | 77.5 Ų | 77.5 | 15% | 0.145 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 163.5 | 177.3 | -64.5 | -87.2 | 0 | 0 | 0 | 111.3 | L107 N111 D112 S113 Q115 F133 C169 V171 | L107-F109 HydrophobicContact CB-CE2 4.33Å; F109-N111 WeakPolarHBondContact CB-OD1 3.2Å; F109-N111 PolarHBondContact O-N 2.72Å; F109-D112 PolarHBondContact O-N 3.44Å; F109-S113 WeakPolarHBondContact CB-OG 3.33Å; F109-S113 WeakPolarHBondContact CD2-O 3.49Å; F109-S113 WeakPolarHBondContact CD2-OG 3.2Å; F109-S113 PolarHBondContact N-O 3.1Å; F109-Q115 HydrophobicContact CE2-CB 3.7Å; F109-Q115 HydrophobicContact CZ-CB 4.47Å; F109-F133 AromaticContact CE1-CE1 3.38Å; F109-F133 HydrophobicContact CE1-CE1 3.38Å; F109-F133 AromaticContact CE1-CZ 3.48Å; F109-F133 HydrophobicContact CE1-CZ 3.48Å; F109-F133 VanDerWaalsContact CE1-CZ 3.48Å; F109-F133 AromaticContact CZ-CE1 3.4Å; F109-F133 HydrophobicContact CZ-CE1 3.4Å; F109-F133 AromaticContact CZ-CZ 3.42Å; F109-F133 HydrophobicContact CZ-CZ 3.42Å; F109-F133 VanDerWaalsContact CZ-CZ 3.42Å; F109-C169 HydrophobicContact CD1-CB 3.79Å; F109-C169 HydrophobicContact CE1-CB 3.83Å; F109-C169 HydrophobicContact CG-CB 4.4Å; F109-C169 HydrophobicContact CZ-CB 4.47Å; F109-V171 HydrophobicContact CD1-CG2 4.33Å; F109-V171 HydrophobicContact CE1-CG2 4.37Å |
| 110 | L | 85.1 | Confident | 86.7 | Confident | 145 Ų | 145 | 77.1 Ų | 77.1 | 76% | 0.759 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.1 | 178.4 | -170 | 66.2 | 0 | 0 | 0 | 113.5 | D112 | L110-D112 PolarHBondContact O-N 3.19Š|
| 111 | N | 87.1 | Confident | 87.7 | Confident | 115 Ų | 115 | 73.3 Ų | 73.3 | 62% | 0.615 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 19.7 | 177.9 | 67.4 | -15 | 0 | 0 | 0 | 113.4 | F109 S113 | F109-N111 WeakPolarHBondContact CB-OD1 3.2Å; F109-N111 PolarHBondContact O-N 2.72Å; N111-S113 VanDerWaalsContact CG-OG 3.29Å; N111-S113 PolarHBondContact ND2-OG 2.88Å; N111-S113 PolarHBondContact O-N 3.14Å; N111-S113 VanDerWaalsContact OD1-CB 3.27Å; N111-S113 WeakPolarHBondContact OD1-CB 3.32Å; N111-S113 PolarHBondContact OD1-N 2.9Å; N111-S113 VanDerWaalsContact OD1-N 3.09Å; N111-S113 PolarHBondContact OD1-OG 2.68Å |
| 112 | D | 85.7 | Confident | 88.2 | Confident | 126 Ų | 126 | 70.1 Ų | 70.1 | 67% | 0.674 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 58.3 | 10 | -173.1 | -66.5 | -56.7 | 0 | 0 | 0 | 115.4 | K108 F109 L110 | K108-D112 IonicContact NZ-OD1 2.72Å; F109-D112 PolarHBondContact O-N 3.44Å; L110-D112 PolarHBondContact O-N 3.19Å |
| 113 | S | 88.5 | Confident | 88.4 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | trans | -77 | 142.7 | 170.4 | 71.5 | 0 | 0 | 0 | 0 | 110.5 | F109 N111 | F109-S113 WeakPolarHBondContact CB-OG 3.33Å; F109-S113 WeakPolarHBondContact CD2-O 3.49Å; F109-S113 WeakPolarHBondContact CD2-OG 3.2Å; F109-S113 PolarHBondContact N-O 3.1Å; N111-S113 VanDerWaalsContact CG-OG 3.29Å; N111-S113 PolarHBondContact ND2-OG 2.88Å; N111-S113 PolarHBondContact O-N 3.14Å; N111-S113 VanDerWaalsContact OD1-CB 3.27Å; N111-S113 WeakPolarHBondContact OD1-CB 3.32Å; N111-S113 PolarHBondContact OD1-N 2.9Å; N111-S113 VanDerWaalsContact OD1-N 3.09Å; N111-S113 PolarHBondContact OD1-OG 2.68Å | ||
| 114 | E | 90.1 | Very high | 88.7 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.4 | 176.2 | -63.8 | -174.2 | 176.1 | 0 | 0 | 109.9 | R106 L107 K108 | R106-E114 IonicContact CZ-OE2 3.28Å; R106-E114 VanDerWaalsContact CZ-OE2 3.28Å; R106-E114 IonicContact NE-OE2 3.16Å; R106-E114 PolarHBondContact NE-OE2 2.78Å; R106-E114 VanDerWaalsContact NE-OE2 3.16Å; R106-E114 VanDerWaalsContact NH2-CD 3.34Å; R106-E114 IonicContact NH2-OE1 3.27Å; R106-E114 PolarHBondContact NH2-OE1 2.9Å; R106-E114 IonicContact NH2-OE2 2.63Å; R106-E114 PolarHBondContact NH2-OE2 3.38Å; L107-E114 CarbonylContact O-C 3.55Å; L107-E114 VanDerWaalsContact O-CA 3.31Å; L107-E114 WeakPolarHBondContact O-CA 3.25Å; K108-E114 HydrophobicContact CB-CG 4.36Å; K108-E114 HydrophobicContact CG-CG 4.23Å |
| 115 | Q | 90 | Very high | 88.8 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 34% | 0.341 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.4 | 177.7 | -179.2 | 177.8 | 58.6 | 0 | 0 | 109.7 | R106 L107 F109 | R106-Q115 CarbonylContact C-O 3.56Å; L107-Q115 HydrophobicContact CB-CB 4.32Å; L107-Q115 WeakPolarHBondContact CB-O 3.14Å; L107-Q115 PolarHBondContact N-O 2.82Å; L107-Q115 PolarHBondContact O-N 3.46Å; F109-Q115 HydrophobicContact CE2-CB 3.7Å; F109-Q115 HydrophobicContact CZ-CB 4.47Å |
| 116 | V | 90.4 | Very high | 88.7 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 56% | 0.564 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 116.6 | 177.2 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | V104 L105 R106 | V104-V116 HydrophobicContact CG1-CG1 3.34Å; L105-V116 CarbonylContact O-C 3.48Å; L105-V116 WeakPolarHBondContact O-CA 3.46Å; R106-V116 HydrophobicContact CG-CG2 4.37Å |
| 117 | A | 88.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L105 L107 L128 Q132 | L105-A117 HydrophobicContact CB-CB 4.38Å; L105-A117 PolarHBondContact N-O 2.78Å; L105-A117 PolarHBondContact O-N 2.89Å; L107-A117 HydrophobicContact CD1-CB 3.28Å; A117-L128 HydrophobicContact CB-CD1 4.12Å; A117-Q132 HydrophobicContact CB-CG 3.81Å |
| 118 | R | 89.3 | Confident | 88.5 | Confident | 200 Ų | 200 | 66 Ų | 66 | 76% | 0.755 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.1 | 167.4 | -65.3 | -179.7 | 177.7 | 177.9 | -1.6 | 107.8 | ||
| 119 | A | 87.4 | Confident | 88.4 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 158.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L103 L105 L128 L156 | L103-A119 WeakPolarHBondContact CA-O 3.42Å; L103-A119 VanDerWaalsContact CB-O 3.29Å; L103-A119 WeakPolarHBondContact CB-O 3.32Å; L103-A119 PolarHBondContact N-O 3.05Å; L103-A119 PolarHBondContact O-N 3.44Å; L103-A119 VanDerWaalsContact O-O 3.06Å; L105-A119 HydrophobicContact CD1-CB 3.98Å; A119-L128 HydrophobicContact CB-CD1 3.73Å; A119-L156 HydrophobicContact CB-CD1 3.44Å; A119-L156 VanDerWaalsContact CB-CD1 3.44Å |
| 120 | W | 87.3 | Confident | 88.3 | Confident | 113 Ų | 113 | 70.1 Ų | 70.1 | 43% | 0.428 | 35% | 0.347 | S | S | . | . | trans | -91.2 | 150.3 | 178.5 | -57.4 | 92.1 | 0 | 0 | 0 | 110.6 | Q100 P102 H122 D123 | Q100-W120 VanDerWaalsContact O-CZ3 3.26Å; Q100-W120 WeakPolarHBondContact O-CZ3 3.46Å; P102-W120 HydrophobicContact CB-CE3 4.29Å; P102-W120 HydrophobicContact CB-CH2 4.31Å; P102-W120 HydrophobicContact CB-CZ3 4.17Å; W120-H122 WeakPolarHBondContact CB-CE1 3.35Å; W120-H122 WeakPolarHBondContact CB-NE2 3.33Å; W120-H122 AromaticContact CD2-CE1 4Å; W120-H122 AromaticContact CG-CE1 3.64Å; W120-H122 AromaticContact CG-NE2 3.74Å; W120-H122 PolarHBondContact O-N 3.29Å; W120-H122 VanDerWaalsContact O-N 3.11Å; W120-D123 VanDerWaalsContact CD1-OD2 3.29Å; W120-D123 PolarHBondContact N-OD2 2.98Å; W120-D123 WeakPolarHBondContact O-CB 3.47Å; W120-D123 PolarHBondContact O-N 3.1Å | ||
| 121 | P | 85.9 | Confident | 88.5 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 27% | 0.266 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -23.5 | 176.8 | 23.3 | -33.4 | 0 | 0 | 0 | 113 | G157 | P121-G157 WeakPolarHBondContact O-CA 3.46Å; P121-G157 PolarHBondContact O-N 3.4Å |
| 122 | H | 86.8 | Confident | 88.5 | Confident | 98 Ų | 98 | 64.1 Ų | 64.1 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.2 | 175.3 | 57 | -101.4 | 0 | 0 | 0 | 114 | Q100 W120 | Q100-H122 PolarHBondContact OE1-CE1 2.86Å; Q100-H122 PolarHBondContact OE1-ND1 2.79Å; W120-H122 WeakPolarHBondContact CB-CE1 3.35Å; W120-H122 WeakPolarHBondContact CB-NE2 3.33Å; W120-H122 AromaticContact CD2-CE1 4Å; W120-H122 AromaticContact CG-CE1 3.64Å; W120-H122 AromaticContact CG-NE2 3.74Å; W120-H122 PolarHBondContact O-N 3.29Å; W120-H122 VanDerWaalsContact O-N 3.11Å |
| 123 | D | 88 | Confident | 88.5 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 19% | 0.193 | 29% | 0.291 | C | S | . | . | trans | -69.7 | 145.2 | 176.2 | -74.9 | -31.8 | 0 | 0 | 0 | 110.7 | W120 T155 L156 | W120-D123 VanDerWaalsContact CD1-OD2 3.29Å; W120-D123 PolarHBondContact N-OD2 2.98Å; W120-D123 WeakPolarHBondContact O-CB 3.47Å; W120-D123 PolarHBondContact O-N 3.1Å; D123-T155 WeakPolarHBondContact O-CA 3.48Å; D123-L156 HydrophobicContact CB-CD1 4.19Å; D123-L156 PolarHBondContact O-N 2.84Å | ||
| 124 | T | 91 | Very high | 88.4 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -82.5 | 159.3 | 174.6 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | G126 S127 L128 D152 T153 Q154 T155 | T124-G126 PolarHBondContact O-N 3.46Å; T124-S127 WeakPolarHBondContact O-CB 3.35Å; T124-S127 PolarHBondContact O-N 2.64Å; T124-S127 VanDerWaalsContact O-N 3.09Å; T124-S127 PolarHBondContact OG1-N 2.99Å; T124-L128 PolarHBondContact O-N 3.15Å; T124-D152 WeakPolarHBondContact CB-O 3.32Å; T124-D152 PolarHBondContact OG1-O 3.33Å; T124-T153 WeakPolarHBondContact CG2-O 2.77Å; T124-Q154 CarbonylContact C-O 3.49Å; T124-Q154 WeakPolarHBondContact CA-O 3.33Å; T124-T155 HydrophobicContact CG2-CG2 4.47Å |
| 125 | I | 89.6 | Confident | 88 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.4 | -38.5 | 172.1 | -61.5 | -51 | 0 | 0 | 0 | 111.3 | L128 K129 L142 L149 Q154 L156 L159 | I125-L128 PolarHBondContact O-N 3.18Å; I125-K129 HydrophobicContact CG2-CD 4.2Å; I125-K129 HydrophobicContact CG2-CG 4.45Å; I125-K129 WeakPolarHBondContact O-CB 3.46Å; I125-K129 WeakPolarHBondContact O-CG 3.28Å; I125-K129 PolarHBondContact O-N 3.27Å; I125-L142 HydrophobicContact CG2-CD1 3.81Å; I125-L149 HydrophobicContact CD1-CD2 3.73Å; I125-L149 HydrophobicContact CG1-CD2 4.28Å; I125-L149 HydrophobicContact CG2-CB 4.46Å; I125-Q154 HydrophobicContact CG1-CB 4.39Å; I125-Q154 WeakPolarHBondContact CG1-O 3.23Å; I125-Q154 PolarHBondContact N-O 2.99Å; I125-L156 HydrophobicContact CD1-CD2 3.39Å; I125-L156 HydrophobicContact CD1-CG 4.18Å; I125-L159 HydrophobicContact CD1-CD1 3.65Å; I125-L159 HydrophobicContact CG1-CD1 3.95Å |
| 126 | G | 88.1 | Confident | 87.6 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T124 K129 R130 D152 | T124-G126 PolarHBondContact O-N 3.46Å; G126-K129 PolarHBondContact O-N 3.25Å; G126-R130 WeakPolarHBondContact O-CB 3.44Å; G126-R130 PolarHBondContact O-N 3.31Å; G126-D152 PolarHBondContact N-O 3.12Å |
| 127 | S | 88.7 | Confident | 87.3 | Confident | 40 Ų | 40 | 62.8 Ų | 62.8 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 174.4 | 169.4 | 0 | 0 | 0 | 0 | 111.8 | T124 R130 T131 | T124-S127 WeakPolarHBondContact O-CB 3.35Å; T124-S127 PolarHBondContact O-N 2.64Å; T124-S127 VanDerWaalsContact O-N 3.09Å; T124-S127 PolarHBondContact OG1-N 2.99Å; S127-R130 PolarHBondContact O-N 3.02Å; S127-T131 WeakPolarHBondContact O-CB 3.41Å; S127-T131 PolarHBondContact O-N 2.93Å; S127-T131 PolarHBondContact O-OG1 2.82Å |
| 128 | L | 89.1 | Confident | 86.9 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 176.8 | 179.1 | 71.5 | 0 | 0 | 0 | 111.2 | L105 A117 A119 T124 I125 R130 T131 Q132 L142 L156 | L105-L128 HydrophobicContact CD1-CD1 4.07Å; L105-L128 HydrophobicContact CD1-CD2 4.02Å; A117-L128 HydrophobicContact CB-CD1 4.12Å; A119-L128 HydrophobicContact CB-CD1 3.73Å; T124-L128 PolarHBondContact O-N 3.15Å; I125-L128 PolarHBondContact O-N 3.18Å; L128-R130 VanDerWaalsContact C-N 3.32Å; L128-R130 PolarHBondContact O-N 3.47Å; L128-T131 PolarHBondContact O-N 3.34Å; L128-Q132 HydrophobicContact CD1-CG 4.09Å; L128-Q132 PolarHBondContact O-N 2.96Å; L128-L142 HydrophobicContact CD2-CD1 4.1Å; L128-L156 HydrophobicContact CD2-CD1 4.49Å; L128-L156 HydrophobicContact CD2-CD2 3.98Å |
| 129 | K | 89.9 | Confident | 86.6 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 177.7 | -76.1 | 175.5 | -177.8 | 170.6 | 0 | 111.3 | I125 G126 T131 F133 E137 V140 L142 L149 D152 | I125-K129 HydrophobicContact CG2-CD 4.2Å; I125-K129 HydrophobicContact CG2-CG 4.45Å; I125-K129 WeakPolarHBondContact O-CB 3.46Å; I125-K129 WeakPolarHBondContact O-CG 3.28Å; I125-K129 PolarHBondContact O-N 3.27Å; G126-K129 PolarHBondContact O-N 3.25Å; K129-T131 VanDerWaalsContact C-N 3.35Å; K129-T131 PolarHBondContact O-N 2.96Å; K129-F133 CarbonylContact O-C 3.48Å; K129-F133 VanDerWaalsContact O-CA 3.31Å; K129-F133 WeakPolarHBondContact O-CA 3.46Å; K129-F133 WeakPolarHBondContact O-CB 3.3Å; K129-F133 PolarHBondContact O-N 3.45Å; K129-E137 HydrophobicContact CB-CB 4.3Å; K129-E137 HydrophobicContact CB-CG 4.26Å; K129-V140 WeakPolarHBondContact CE-O 3.27Å; K129-L142 HydrophobicContact CD-CD1 4.39Å; K129-L142 HydrophobicContact CG-CD1 3.75Å; K129-L142 HydrophobicContact CG-CG 4.45Å; K129-L149 PolarHBondContact NZ-O 3.31Å; K129-D152 IonicContact NZ-OD1 3.81Å; K129-D152 PolarHBondContact NZ-OD1 2.99Å |
| 130 | R | 87.7 | Confident | 86.6 | Confident | 172 Ų | 172 | 61.2 Ų | 61.2 | 65% | 0.649 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.4 | -36.4 | 179.3 | -174.3 | 152.5 | -173.7 | 172.7 | 3.2 | 113.2 | G126 S127 L128 E137 | G126-R130 WeakPolarHBondContact O-CB 3.44Å; G126-R130 PolarHBondContact O-N 3.31Å; S127-R130 PolarHBondContact O-N 3.02Å; L128-R130 VanDerWaalsContact C-N 3.32Å; L128-R130 PolarHBondContact O-N 3.47Å; R130-E137 WeakPolarHBondContact CA-OE1 3.39Å; R130-E137 HydrophobicContact CB-CG 4.13Å; R130-E137 WeakPolarHBondContact CB-OE1 3.06Å; R130-E137 WeakPolarHBondContact CD-OE1 2.91Å; R130-E137 WeakPolarHBondContact CG-OE1 3.27Å; R130-E137 IonicContact NE-OE1 3.9Å |
| 131 | T | 88.7 | Confident | 86.7 | Confident | 96 Ų | 96 | 62.3 Ų | 62.3 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -73.8 | -43 | 179.5 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | S127 L128 K129 | S127-T131 WeakPolarHBondContact O-CB 3.41Å; S127-T131 PolarHBondContact O-N 2.93Å; S127-T131 PolarHBondContact O-OG1 2.82Å; L128-T131 PolarHBondContact O-N 3.34Å; K129-T131 VanDerWaalsContact C-N 3.35Å; K129-T131 PolarHBondContact O-N 2.96Å |
| 132 | Q | 86.5 | Confident | 86.8 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -84.8 | -30.2 | -178.3 | -66.1 | -62.5 | -36.9 | 0 | 0 | 113.4 | L107 A117 L128 | L107-Q132 HydrophobicContact CD2-CB 4.22Å; L107-Q132 HydrophobicContact CD2-CG 4.07Å; A117-Q132 HydrophobicContact CB-CG 3.81Å; L128-Q132 HydrophobicContact CD1-CG 4.09Å; L128-Q132 PolarHBondContact O-N 2.96Å |
| 133 | F | 87.1 | Confident | 87 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 10% | 0.101 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -133.6 | 62.6 | -171.7 | -52.9 | -71.6 | 0 | 0 | 0 | 112.7 | L107 F109 K129 G135 R136 E137 V140 | L107-F133 HydrophobicContact CD2-CE2 3.6Å; L107-F133 HydrophobicContact CD2-CZ 3.65Å; F109-F133 AromaticContact CE1-CE1 3.38Å; F109-F133 HydrophobicContact CE1-CE1 3.38Å; F109-F133 AromaticContact CE1-CZ 3.48Å; F109-F133 HydrophobicContact CE1-CZ 3.48Å; F109-F133 VanDerWaalsContact CE1-CZ 3.48Å; F109-F133 AromaticContact CZ-CE1 3.4Å; F109-F133 HydrophobicContact CZ-CE1 3.4Å; F109-F133 AromaticContact CZ-CZ 3.42Å; F109-F133 HydrophobicContact CZ-CZ 3.42Å; F109-F133 VanDerWaalsContact CZ-CZ 3.42Å; K129-F133 CarbonylContact O-C 3.48Å; K129-F133 VanDerWaalsContact O-CA 3.31Å; K129-F133 WeakPolarHBondContact O-CA 3.46Å; K129-F133 WeakPolarHBondContact O-CB 3.3Å; K129-F133 PolarHBondContact O-N 3.45Å; F133-G135 PolarHBondContact O-N 2.82Å; F133-G135 VanDerWaalsContact O-N 3.16Å; F133-R136 HydrophobicContact CB-CB 4.31Å; F133-R136 PolarHBondContact O-N 2.88Å; F133-E137 PolarHBondContact O-N 2.83Å; F133-V140 HydrophobicContact CB-CG2 3.97Å; F133-V140 HydrophobicContact CD1-CG2 4.01Å; F133-V140 HydrophobicContact CD2-CB 4.13Å; F133-V140 HydrophobicContact CD2-CG1 3.85Å; F133-V140 HydrophobicContact CD2-CG2 3.84Å; F133-V140 HydrophobicContact CE1-CG2 4.48Å; F133-V140 HydrophobicContact CE2-CB 4.48Å; F133-V140 HydrophobicContact CE2-CG1 3.72Å; F133-V140 HydrophobicContact CE2-CG2 4.32Å; F133-V140 HydrophobicContact CG-CB 4.43Å; F133-V140 HydrophobicContact CG-CG1 4.5Å; F133-V140 HydrophobicContact CG-CG2 3.66Å; F133-V140 HydrophobicContact CZ-CG1 4.27Å |
| 134 | P | 85.6 | Confident | 87 | Confident | 101 Ų | 101 | 57.9 Ų | 57.9 | 66% | 0.656 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 123.5 | -177.8 | 24.3 | -34.2 | 0 | 0 | 0 | 111.1 | R136 | P134-R136 PolarHBondContact O-N 3Š|
| 135 | G | 81.1 | Confident | 86.7 | Confident | 73 Ų | 73 | 63 Ų | 63 | 75% | 0.753 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | F133 | F133-G135 PolarHBondContact O-N 2.82Å; F133-G135 VanDerWaalsContact O-N 3.16Å |
| 136 | R | 82.5 | Confident | 86.4 | Confident | 152 Ų | 152 | 66.5 Ų | 66.5 | 57% | 0.574 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | 13.7 | 175.4 | -62.9 | -174.4 | -173.1 | 176.9 | 1 | 113.2 | F133 P134 Q138 Q139 V140 | F133-R136 HydrophobicContact CB-CB 4.31Å; F133-R136 PolarHBondContact O-N 2.88Å; P134-R136 PolarHBondContact O-N 3Å; R136-Q138 VanDerWaalsContact C-N 3.3Å; R136-Q138 PolarHBondContact O-N 3.06Å; R136-Q139 HydrophobicContact CB-CB 4.39Å; R136-Q139 WeakPolarHBondContact O-CA 3.21Å; R136-Q139 VanDerWaalsContact O-CB 3.32Å; R136-Q139 WeakPolarHBondContact O-CB 3.22Å; R136-Q139 PolarHBondContact O-N 3.42Å; R136-V140 WeakPolarHBondContact O-CG2 3.45Å; R136-V140 PolarHBondContact O-N 3.08Å |
| 137 | E | 84.2 | Confident | 86.3 | Confident | 54 Ų | 54 | 72 Ų | 72 | 25% | 0.252 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -50.5 | -46.3 | -175.6 | -64.1 | 162.6 | -141.6 | 0 | 0 | 113 | K129 R130 F133 Q139 V140 | K129-E137 HydrophobicContact CB-CB 4.3Å; K129-E137 HydrophobicContact CB-CG 4.26Å; R130-E137 WeakPolarHBondContact CA-OE1 3.39Å; R130-E137 HydrophobicContact CB-CG 4.13Å; R130-E137 WeakPolarHBondContact CB-OE1 3.06Å; R130-E137 WeakPolarHBondContact CD-OE1 2.91Å; R130-E137 WeakPolarHBondContact CG-OE1 3.27Å; R130-E137 IonicContact NE-OE1 3.9Å; F133-E137 PolarHBondContact O-N 2.83Å; E137-Q139 VanDerWaalsContact C-N 3.27Å; E137-Q139 PolarHBondContact O-N 3.08Å; E137-V140 PolarHBondContact O-N 3.17Å |
| 138 | Q | 80.3 | Confident | 86.2 | Confident | 131 Ų | 131 | 74.7 Ų | 74.7 | 61% | 0.612 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -73.3 | -18.4 | -179.9 | -63.5 | -175.1 | -29.8 | 0 | 0 | 113.9 | R136 | R136-Q138 VanDerWaalsContact C-N 3.3Å; R136-Q138 PolarHBondContact O-N 3.06Å |
| 139 | Q | 84 | Confident | 86 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 17% | 0.173 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -84.7 | -21 | 177.2 | -65.6 | 177.6 | 11.6 | 0 | 0 | 111.2 | R136 E137 V171 S172 V175 | R136-Q139 HydrophobicContact CB-CB 4.39Å; R136-Q139 WeakPolarHBondContact O-CA 3.21Å; R136-Q139 VanDerWaalsContact O-CB 3.32Å; R136-Q139 WeakPolarHBondContact O-CB 3.22Å; R136-Q139 PolarHBondContact O-N 3.42Å; E137-Q139 VanDerWaalsContact C-N 3.27Å; E137-Q139 PolarHBondContact O-N 3.08Å; Q139-V171 HydrophobicContact CB-CG1 4.34Å; Q139-V171 CarbonylContact O-C 3.53Å; Q139-S172 WeakPolarHBondContact CB-O 3.32Å; Q139-S172 VanDerWaalsContact CG-O 3.25Å; Q139-S172 WeakPolarHBondContact CG-O 3.31Å; Q139-S172 PolarHBondContact O-N 2.8Å; Q139-V175 HydrophobicContact CG-CG2 3.8Å |
| 140 | V | 87.5 | Confident | 85.6 | Confident | 3 Ų | 3 | 76.7 Ų | 76.7 | 2% | 0.018 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 115.9 | -173.7 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | K129 F133 R136 E137 L142 H170 V171 | K129-V140 WeakPolarHBondContact CE-O 3.27Å; F133-V140 HydrophobicContact CB-CG2 3.97Å; F133-V140 HydrophobicContact CD1-CG2 4.01Å; F133-V140 HydrophobicContact CD2-CB 4.13Å; F133-V140 HydrophobicContact CD2-CG1 3.85Å; F133-V140 HydrophobicContact CD2-CG2 3.84Å; F133-V140 HydrophobicContact CE1-CG2 4.48Å; F133-V140 HydrophobicContact CE2-CB 4.48Å; F133-V140 HydrophobicContact CE2-CG1 3.72Å; F133-V140 HydrophobicContact CE2-CG2 4.32Å; F133-V140 HydrophobicContact CG-CB 4.43Å; F133-V140 HydrophobicContact CG-CG1 4.5Å; F133-V140 HydrophobicContact CG-CG2 3.66Å; F133-V140 HydrophobicContact CZ-CG1 4.27Å; R136-V140 WeakPolarHBondContact O-CG2 3.45Å; R136-V140 PolarHBondContact O-N 3.08Å; E137-V140 PolarHBondContact O-N 3.17Å; V140-L142 HydrophobicContact CG1-CD2 4.3Å; V140-L142 HydrophobicContact CG1-CG 4.34Å; V140-H170 WeakPolarHBondContact CA-O 3.38Å; V140-V171 HydrophobicContact CG2-CG1 4.42Å; V140-V171 HydrophobicContact CG2-CG2 4.2Å |
| 141 | R | 87.8 | Confident | 85.5 | Confident | 136 Ų | 136 | 71.8 Ų | 71.8 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 116.4 | 169.3 | -71.4 | -174.4 | -174.8 | -172.1 | 0.4 | 108.6 | L148 H170 | R141-L148 HydrophobicContact CB-CD1 3.58Å; R141-L148 HydrophobicContact CG-CD1 3.91Å; R141-H170 HydrophobicContact CB-CB 4.3Å; R141-H170 PolarHBondContact N-O 2.72Å; R141-H170 PolarHBondContact O-N 3.39Å |
| 142 | L | 89.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.2 | 174.5 | -69.9 | 170.6 | 0 | 0 | 0 | 108.6 | I125 L128 K129 V140 L149 L167 C169 | I125-L142 HydrophobicContact CG2-CD1 3.81Å; L128-L142 HydrophobicContact CD2-CD1 4.1Å; K129-L142 HydrophobicContact CD-CD1 4.39Å; K129-L142 HydrophobicContact CG-CD1 3.75Å; K129-L142 HydrophobicContact CG-CG 4.45Å; V140-L142 HydrophobicContact CG1-CD2 4.3Å; V140-L142 HydrophobicContact CG1-CG 4.34Å; L142-L149 HydrophobicContact CB-CB 4.04Å; L142-L149 WeakPolarHBondContact O-CB 3.24Å; L142-L149 PolarHBondContact O-N 2.82Å; L142-L167 HydrophobicContact CB-CD2 4.38Å; L142-L167 HydrophobicContact CD1-CD2 4.5Å; L142-L167 HydrophobicContact CD2-CD2 4.23Å; L142-C169 HydrophobicContact CD2-CB 4.43Å; L142-C169 WeakPolarHBondContact CD2-SG 3.22Å |
| 143 | I | 89.7 | Confident | 85.4 | Confident | 53 Ų | 53 | 73.9 Ų | 73.9 | 27% | 0.272 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126 | -175.6 | -58.1 | 158.2 | 0 | 0 | 0 | 108.2 | Q147 L148 H168 H170 | I143-Q147 VanDerWaalsContact CA-O 3.3Å; I143-Q147 WeakPolarHBondContact CA-O 3.49Å; I143-L148 HydrophobicContact CG1-CD1 4.09Å; I143-H168 HydrophobicContact CB-CB 4.04Å; I143-H168 PolarHBondContact N-O 3.33Å; I143-H168 PolarHBondContact O-N 2.79Å; I143-H170 HydrophobicContact CD1-CB 4.38Å |
| 144 | Y | 88.4 | Confident | 85.4 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 11% | 0.11 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 130 | 177.3 | 178.8 | -108.5 | 0 | 0 | 0 | 109.1 | G146 Q147 L149 L161 P162 C165 L167 | Y144-G146 PolarHBondContact O-N 2.85Å; Y144-G146 VanDerWaalsContact O-N 3.1Å; Y144-Q147 PolarHBondContact N-O 2.98Å; Y144-Q147 WeakPolarHBondContact O-CB 3.48Å; Y144-Q147 PolarHBondContact O-N 3.28Å; Y144-L149 VanDerWaalsContact CB-CD1 3.45Å; Y144-L149 VanDerWaalsContact N-CD1 3.32Å; Y144-L161 HydrophobicContact CD1-CD2 3.43Å; Y144-L161 VanDerWaalsContact CD1-CD2 3.43Å; Y144-L161 HydrophobicContact CD2-CD2 3.7Å; Y144-L161 HydrophobicContact CE1-CD2 3.39Å; Y144-L161 HydrophobicContact CE2-CD2 3.68Å; Y144-L161 HydrophobicContact CG-CD2 3.57Å; Y144-P162 WeakPolarHBondContact OH-CD 3.29Å; Y144-C165 HydrophobicContact CE2-CB 4.03Å; Y144-L167 HydrophobicContact CD2-CD1 4.31Å |
| 145 | Q | 84.8 | Confident | 85.5 | Confident | 155 Ų | 155 | 74.1 Ų | 74.1 | 72% | 0.724 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 34.1 | -177.6 | -61.2 | -174.5 | 6.1 | 0 | 0 | 114.6 | Q147 | Q145-Q147 PolarHBondContact O-N 2.75Š|
| 146 | G | 83.1 | Confident | 85.7 | Confident | 74 Ų | 74 | 70.7 Ų | 70.7 | 76% | 0.763 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 0.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y144 | Y144-G146 PolarHBondContact O-N 2.85Å; Y144-G146 VanDerWaalsContact O-N 3.1Å |
| 147 | Q | 85.7 | Confident | 85.8 | Confident | 132 Ų | 132 | 65 Ų | 65 | 62% | 0.617 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136 | 173.7 | -62.4 | -173.7 | -29.7 | 0 | 0 | 110.4 | I143 Y144 Q145 L149 | I143-Q147 VanDerWaalsContact CA-O 3.3Å; I143-Q147 WeakPolarHBondContact CA-O 3.49Å; Y144-Q147 PolarHBondContact N-O 2.98Å; Y144-Q147 WeakPolarHBondContact O-CB 3.48Å; Y144-Q147 PolarHBondContact O-N 3.28Å; Q145-Q147 PolarHBondContact O-N 2.75Å; Q147-L149 WeakPolarHBondContact O-CD1 3.22Å |
| 148 | L | 87.5 | Confident | 85.8 | Confident | 96 Ų | 96 | 65.4 Ų | 65.4 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119.4 | 173.4 | 177.3 | 66.5 | 0 | 0 | 0 | 109.7 | R141 I143 G150 | R141-L148 HydrophobicContact CB-CD1 3.58Å; R141-L148 HydrophobicContact CG-CD1 3.91Å; I143-L148 HydrophobicContact CG1-CD1 4.09Å; L148-G150 PolarHBondContact O-N 3.46Å |
| 149 | L | 84.7 | Confident | 85.7 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 73.4 | 175 | -72.8 | 79.4 | 0 | 0 | 0 | 108.3 | I125 K129 L142 Y144 Q147 L159 L167 | I125-L149 HydrophobicContact CD1-CD2 3.73Å; I125-L149 HydrophobicContact CG1-CD2 4.28Å; I125-L149 HydrophobicContact CG2-CB 4.46Å; K129-L149 PolarHBondContact NZ-O 3.31Å; L142-L149 HydrophobicContact CB-CB 4.04Å; L142-L149 WeakPolarHBondContact O-CB 3.24Å; L142-L149 PolarHBondContact O-N 2.82Å; Y144-L149 VanDerWaalsContact CB-CD1 3.45Å; Y144-L149 VanDerWaalsContact N-CD1 3.32Å; Q147-L149 WeakPolarHBondContact O-CD1 3.22Å; L149-L159 HydrophobicContact CD2-CD1 3.44Å; L149-L159 VanDerWaalsContact CD2-CD1 3.44Å; L149-L159 HydrophobicContact CD2-CD2 3.98Å; L149-L159 HydrophobicContact CD2-CG 4.3Å; L149-L159 HydrophobicContact CG-CD1 4.28Å; L149-L159 HydrophobicContact CG-CD2 4.13Å; L149-L167 HydrophobicContact CD2-CD2 4.45Å |
| 150 | G | 81.2 | Confident | 85.6 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 49% | 0.485 | 37% | 0.374 | S | S | . | . | trans | -83.9 | -24.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L148 D152 | L148-G150 PolarHBondContact O-N 3.46Å; G150-D152 PolarHBondContact O-N 2.87Å | ||
| 151 | D | 85.7 | Confident | 85.3 | Confident | 70 Ų | 70 | 67.2 Ų | 67.2 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | trans | -79.9 | 101.7 | -177.3 | -168.5 | -11.2 | 0 | 0 | 0 | 110.7 | T153 Q154 | D151-T153 PolarHBondContact O-N 3.45Å; D151-T153 VanDerWaalsContact O-N 3.15Å; D151-T153 WeakPolarHBondContact OD1-CB 3.22Å; D151-T153 PolarHBondContact OD1-N 2.89Å; D151-T153 PolarHBondContact OD1-OG1 3.28Å; D151-Q154 HydrophobicContact CB-CB 4.44Å; D151-Q154 HydrophobicContact CB-CG 3.94Å; D151-Q154 PolarHBondContact O-N 3.5Å | ||
| 152 | D | 85.8 | Confident | 85 | Confident | 71 Ų | 71 | 63.7 Ų | 63.7 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.8 | 179.4 | -70.4 | -20 | 0 | 0 | 0 | 112.8 | T124 G126 K129 G150 | T124-D152 WeakPolarHBondContact CB-O 3.32Å; T124-D152 PolarHBondContact OG1-O 3.33Å; G126-D152 PolarHBondContact N-O 3.12Å; K129-D152 IonicContact NZ-OD1 3.81Å; K129-D152 PolarHBondContact NZ-OD1 2.99Å; G150-D152 PolarHBondContact O-N 2.87Å |
| 153 | T | 86.9 | Confident | 84.6 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 65% | 0.65 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -16.6 | 179.4 | 72.2 | 0 | 0 | 0 | 0 | 114 | T124 D151 | T124-T153 WeakPolarHBondContact CG2-O 2.77Å; D151-T153 PolarHBondContact O-N 3.45Å; D151-T153 VanDerWaalsContact O-N 3.15Å; D151-T153 WeakPolarHBondContact OD1-CB 3.22Å; D151-T153 PolarHBondContact OD1-N 2.89Å; D151-T153 PolarHBondContact OD1-OG1 3.28Å |
| 154 | Q | 87.3 | Confident | 84.4 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -66.8 | 140.3 | 178.3 | -80.4 | -171.7 | 18.2 | 0 | 0 | 111.7 | T124 I125 D151 L159 | T124-Q154 CarbonylContact C-O 3.49Å; T124-Q154 WeakPolarHBondContact CA-O 3.33Å; I125-Q154 HydrophobicContact CG1-CB 4.39Å; I125-Q154 WeakPolarHBondContact CG1-O 3.23Å; I125-Q154 PolarHBondContact N-O 2.99Å; D151-Q154 HydrophobicContact CB-CB 4.44Å; D151-Q154 HydrophobicContact CB-CG 3.94Å; D151-Q154 PolarHBondContact O-N 3.5Å; Q154-L159 HydrophobicContact CB-CD1 4.43Å |
| 155 | T | 88.3 | Confident | 84.4 | Confident | 51 Ų | 51 | 69.6 Ų | 69.6 | 31% | 0.313 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -82.1 | 146.3 | 175 | 63 | 0 | 0 | 0 | 0 | 111 | D123 T124 G157 S158 L159 | D123-T155 WeakPolarHBondContact O-CA 3.48Å; T124-T155 HydrophobicContact CG2-CG2 4.47Å; T155-G157 PolarHBondContact O-N 3.09Å; T155-S158 PolarHBondContact N-OG 3.29Å; T155-S158 PolarHBondContact O-N 3.42Å; T155-S158 VanDerWaalsContact O-N 3.1Å; T155-S158 PolarHBondContact O-OG 3.46Å; T155-S158 WeakPolarHBondContact OG1-CB 3.46Å; T155-S158 PolarHBondContact OG1-N 2.93Å; T155-S158 VanDerWaalsContact OG1-N 3.14Å; T155-S158 PolarHBondContact OG1-OG 3.1Å; T155-L159 PolarHBondContact O-N 3.32Å |
| 156 | L | 85.1 | Confident | 84.6 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -32.5 | 175 | -69.1 | 168.9 | 0 | 0 | 0 | 112 | L105 A119 D123 I125 L128 L159 L161 | L105-L156 HydrophobicContact CD1-CD1 3.99Å; L105-L156 HydrophobicContact CD1-CD2 4.22Å; A119-L156 HydrophobicContact CB-CD1 3.44Å; A119-L156 VanDerWaalsContact CB-CD1 3.44Å; D123-L156 HydrophobicContact CB-CD1 4.19Å; D123-L156 PolarHBondContact O-N 2.84Å; I125-L156 HydrophobicContact CD1-CD2 3.39Å; I125-L156 HydrophobicContact CD1-CG 4.18Å; L128-L156 HydrophobicContact CD2-CD1 4.49Å; L128-L156 HydrophobicContact CD2-CD2 3.98Å; L156-L159 PolarHBondContact O-N 3.48Å; L156-L161 HydrophobicContact CB-CD1 4.3Å; L156-L161 HydrophobicContact CD2-CD1 3.5Å |
| 157 | G | 83.7 | Confident | 84.9 | Confident | 33 Ų | 33 | 61 Ų | 61 | 34% | 0.34 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P121 T155 L159 H160 | P121-G157 WeakPolarHBondContact O-CA 3.46Å; P121-G157 PolarHBondContact O-N 3.4Å; T155-G157 PolarHBondContact O-N 3.09Å; G157-L159 PolarHBondContact O-N 3.37Å; G157-H160 PolarHBondContact O-N 2.81Å |
| 158 | S | 83.7 | Confident | 85.2 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 44% | 0.441 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -23.9 | 176.9 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | T155 H160 | T155-S158 PolarHBondContact N-OG 3.29Å; T155-S158 PolarHBondContact O-N 3.42Å; T155-S158 VanDerWaalsContact O-N 3.1Å; T155-S158 PolarHBondContact O-OG 3.46Å; T155-S158 WeakPolarHBondContact OG1-CB 3.46Å; T155-S158 PolarHBondContact OG1-N 2.93Å; T155-S158 VanDerWaalsContact OG1-N 3.14Å; T155-S158 PolarHBondContact OG1-OG 3.1Å; S158-H160 PolarHBondContact O-N 3.48Å |
| 159 | L | 79.5 | Confident | 85.3 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 17% | 0.168 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 1.1 | 175.5 | -74.1 | 147.6 | 0 | 0 | 0 | 112.9 | I125 L149 Q154 T155 L156 G157 L161 | I125-L159 HydrophobicContact CD1-CD1 3.65Å; I125-L159 HydrophobicContact CG1-CD1 3.95Å; L149-L159 HydrophobicContact CD2-CD1 3.44Å; L149-L159 VanDerWaalsContact CD2-CD1 3.44Å; L149-L159 HydrophobicContact CD2-CD2 3.98Å; L149-L159 HydrophobicContact CD2-CG 4.3Å; L149-L159 HydrophobicContact CG-CD1 4.28Å; L149-L159 HydrophobicContact CG-CD2 4.13Å; Q154-L159 HydrophobicContact CB-CD1 4.43Å; T155-L159 PolarHBondContact O-N 3.32Å; L156-L159 PolarHBondContact O-N 3.48Å; G157-L159 PolarHBondContact O-N 3.37Å; L159-L161 HydrophobicContact CB-CD1 4.29Å; L159-L161 HydrophobicContact CB-CD2 4.21Å; L159-L161 HydrophobicContact CB-CG 3.82Å; L159-L161 PolarHBondContact O-N 2.76Å; L159-L161 VanDerWaalsContact O-N 3.16Å |
| 160 | H | 81.4 | Confident | 85.5 | Confident | 164 Ų | 164 | 58.3 Ų | 58.3 | 76% | 0.759 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 42.3 | -177.6 | -71.1 | -84.1 | 0 | 0 | 0 | 112.7 | G157 S158 P162 | G157-H160 PolarHBondContact O-N 2.81Å; S158-H160 PolarHBondContact O-N 3.48Å; H160-P162 WeakPolarHBondContact O-CD 3.29Å |
| 161 | L | 81.4 | Confident | 85.7 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 118.2 | 179.2 | -64.1 | 177.5 | 0 | 0 | 0 | 109.5 | L103 L105 Y144 L156 L159 L167 | L103-L161 HydrophobicContact CD2-CB 4.08Å; L105-L161 HydrophobicContact CD2-CD1 4.21Å; Y144-L161 HydrophobicContact CD1-CD2 3.43Å; Y144-L161 VanDerWaalsContact CD1-CD2 3.43Å; Y144-L161 HydrophobicContact CD2-CD2 3.7Å; Y144-L161 HydrophobicContact CE1-CD2 3.39Å; Y144-L161 HydrophobicContact CE2-CD2 3.68Å; Y144-L161 HydrophobicContact CG-CD2 3.57Å; L156-L161 HydrophobicContact CB-CD1 4.3Å; L156-L161 HydrophobicContact CD2-CD1 3.5Å; L159-L161 HydrophobicContact CB-CD1 4.29Å; L159-L161 HydrophobicContact CB-CD2 4.21Å; L159-L161 HydrophobicContact CB-CG 3.82Å; L159-L161 PolarHBondContact O-N 2.76Å; L159-L161 VanDerWaalsContact O-N 3.16Å; L161-L167 HydrophobicContact CD1-CD1 4.38Å; L161-L167 HydrophobicContact CD2-CD1 4.46Å |
| 162 | P | 81.2 | Confident | 85.3 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 40% | 0.403 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 158.9 | 177 | 27 | -30.6 | 0 | 0 | 0 | 110.8 | Y144 H160 N164 C165 | Y144-P162 WeakPolarHBondContact OH-CD 3.29Å; H160-P162 WeakPolarHBondContact O-CD 3.29Å; P162-N164 PolarHBondContact O-N 3.43Å; P162-C165 HydrophobicContact CG-CB 3.89Å; P162-C165 WeakPolarHBondContact O-CB 3.15Å; P162-C165 PolarHBondContact O-N 3.31Å |
| 163 | P | 82.3 | Confident | 84.5 | Confident | 95 Ų | 95 | 59.8 Ų | 59.8 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 135.6 | 172.6 | 25.9 | -33.3 | 0 | 0 | 0 | 110.8 | L103 C165 | L103-P163 VanDerWaalsContact CD1-CA 3.46Å; L103-P163 HydrophobicContact CD1-CB 4.01Å; P163-C165 VanDerWaalsContact C-N 3.35Å |
| 164 | N | 85.1 | Confident | 83.2 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 25 | -176 | -49.7 | -73.8 | 0 | 0 | 0 | 115.1 | V104 P162 | V104-N164 WeakPolarHBondContact O-CA 3.1Å; V104-N164 PolarHBondContact O-N 3.44Å; P162-N164 PolarHBondContact O-N 3.43Å |
| 165 | C | 87.8 | Confident | 81.6 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 153.8 | 175 | 77.6 | 0 | 0 | 0 | 0 | 112.3 | L105 R106 Y144 P162 P163 L167 | L105-C165 WeakPolarHBondContact CD2-SG 3.37Å; R106-C165 PolarHBondContact N-O 2.8Å; Y144-C165 HydrophobicContact CE2-CB 4.03Å; P162-C165 HydrophobicContact CG-CB 3.89Å; P162-C165 WeakPolarHBondContact O-CB 3.15Å; P162-C165 PolarHBondContact O-N 3.31Å; P163-C165 VanDerWaalsContact C-N 3.35Å; C165-L167 WeakPolarHBondContact SG-CD1 3.39Å |
| 166 | V | 89.3 | Confident | 79.8 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 30% | 0.297 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.9 | 178.4 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | R106 K108 | R106-V166 HydrophobicContact CB-CG2 4.09Å; R106-V166 CarbonylContact O-C 3.6Å; R106-V166 VanDerWaalsContact O-CA 3.22Å; R106-V166 WeakPolarHBondContact O-CA 3.36Å; K108-V166 HydrophobicContact CB-CG1 3.64Å; K108-V166 HydrophobicContact CD-CG1 4.46Å |
| 167 | L | 90.3 | Very high | 78.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.6 | 171.3 | -85.6 | 74.4 | 0 | 0 | 0 | 108.9 | L105 R106 L107 K108 L142 Y144 L149 L161 C165 C169 | L105-L167 HydrophobicContact CD2-CD1 4.03Å; R106-L167 PolarHBondContact O-N 3.29Å; L107-L167 CarbonylContact C-O 3.59Å; L107-L167 WeakPolarHBondContact CA-O 3.36Å; K108-L167 PolarHBondContact N-O 2.82Å; L142-L167 HydrophobicContact CB-CD2 4.38Å; L142-L167 HydrophobicContact CD1-CD2 4.5Å; L142-L167 HydrophobicContact CD2-CD2 4.23Å; Y144-L167 HydrophobicContact CD2-CD1 4.31Å; L149-L167 HydrophobicContact CD2-CD2 4.45Å; L161-L167 HydrophobicContact CD1-CD1 4.38Å; L161-L167 HydrophobicContact CD2-CD1 4.46Å; C165-L167 WeakPolarHBondContact SG-CD1 3.39Å; L167-C169 PolarHBondContact O-N 3.4Å; L167-C169 PolarHBondContact O-SG 2.78Å |
| 168 | H | 91.2 | Very high | 76.9 | Confident | 100 Ų | 100 | 71 Ų | 71 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 121.4 | 173.2 | -71.4 | -105.6 | 0 | 0 | 0 | 108.9 | K108 I143 | K108-H168 CarbonylContact O-C 3.54Å; K108-H168 WeakPolarHBondContact O-CA 3.29Å; I143-H168 HydrophobicContact CB-CB 4.04Å; I143-H168 PolarHBondContact N-O 3.33Å; I143-H168 PolarHBondContact O-N 2.79Å |
| 169 | C | 89.4 | Confident | 75.4 | Confident | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.034 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.8 | -177.4 | -60.1 | 0 | 0 | 0 | 0 | 109.3 | L107 K108 F109 L142 L167 | L107-C169 WeakPolarHBondContact CB-SG 3.34Å; L107-C169 VanDerWaalsContact CG-SG 3.52Å; K108-C169 PolarHBondContact O-N 2.78Å; F109-C169 HydrophobicContact CD1-CB 3.79Å; F109-C169 HydrophobicContact CE1-CB 3.83Å; F109-C169 HydrophobicContact CG-CB 4.4Å; F109-C169 HydrophobicContact CZ-CB 4.47Å; L142-C169 HydrophobicContact CD2-CB 4.43Å; L142-C169 WeakPolarHBondContact CD2-SG 3.22Å; L167-C169 PolarHBondContact O-N 3.4Å; L167-C169 PolarHBondContact O-SG 2.78Å |
| 170 | H | 89.1 | Confident | 74.2 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 34% | 0.343 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.9 | 176.3 | -176 | -96.8 | 0 | 0 | 0 | 110 | V140 R141 I143 S172 | V140-H170 WeakPolarHBondContact CA-O 3.38Å; R141-H170 HydrophobicContact CB-CB 4.3Å; R141-H170 PolarHBondContact N-O 2.72Å; R141-H170 PolarHBondContact O-N 3.39Å; I143-H170 HydrophobicContact CD1-CB 4.38Å; H170-S172 PolarHBondContact CE1-OG 2.79Å; H170-S172 PolarHBondContact ND1-OG 2.87Å |
| 171 | V | 84.3 | Confident | 72.6 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 34% | 0.339 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 104 | -178.7 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | F109 Q139 V140 | F109-V171 HydrophobicContact CD1-CG2 4.33Å; F109-V171 HydrophobicContact CE1-CG2 4.37Å; Q139-V171 HydrophobicContact CB-CG1 4.34Å; Q139-V171 CarbonylContact O-C 3.53Å; V140-V171 HydrophobicContact CG2-CG1 4.42Å; V140-V171 HydrophobicContact CG2-CG2 4.2Å |
| 172 | S | 78.5 | Confident | 70.8 | Confident | 30 Ų | 30 | 82.1 Ų | 82.1 | 21% | 0.21 | 49% | 0.49 | C | S | . | . | trans | -86.3 | 128 | 177.6 | -64.2 | 0 | 0 | 0 | 0 | 111 | Q139 H170 R174 | Q139-S172 WeakPolarHBondContact CB-O 3.32Å; Q139-S172 VanDerWaalsContact CG-O 3.25Å; Q139-S172 WeakPolarHBondContact CG-O 3.31Å; Q139-S172 PolarHBondContact O-N 2.8Å; H170-S172 PolarHBondContact CE1-OG 2.79Å; H170-S172 PolarHBondContact ND1-OG 2.87Å; S172-R174 PolarHBondContact O-N 3.13Å; S172-R174 VanDerWaalsContact O-N 3.13Å | ||
| 173 | T | 69.3 | Low | 69.5 | Low | 133 Ų | 133 | 84.2 Ų | 84.2 | 82% | 0.816 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -78.4 | 9.8 | -174.7 | 51.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 174 | R | 58.3 | Low | 68 | Low | 145 Ų | 145 | 86.2 Ų | 86.2 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | trans | -114.9 | 113 | -178.9 | -67 | -135 | -172.7 | 157 | 2.5 | 112.2 | S172 G176 S191 | S172-R174 PolarHBondContact O-N 3.13Å; S172-R174 VanDerWaalsContact O-N 3.13Å; R174-G176 PolarHBondContact O-N 3.39Å; R174-S191 WeakPolarHBondContact CD-OG 3.26Å; R174-S191 VanDerWaalsContact CG-OG 3.27Å; R174-S191 WeakPolarHBondContact CG-OG 3.19Å; R174-S191 PolarHBondContact NE-OG 3.46Å; R174-S191 PolarHBondContact NH1-OG 3.16Å; R174-S191 PolarHBondContact NH2-O 3.31Å | ||
| 175 | V | 54.1 | Low | 66.1 | Low | 90 Ų | 90 | 85.3 Ų | 85.3 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | trans | -89.9 | 93 | 165.5 | -176.2 | 0 | 0 | 0 | 0 | 107.1 | Q139 | Q139-V175 HydrophobicContact CG-CG2 3.8Š| ||
| 176 | G | 51.7 | Low | 64.2 | Low | 50 Ų | 50 | 89.7 Ų | 89.7 | 52% | 0.515 | 56% | 0.562 | S | S | . | * | trans | -79.6 | 143.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109 | R174 | R174-G176 PolarHBondContact O-N 3.39Š| ||
| 177 | P | 53.6 | Low | 62.4 | Low | 113 Ų | 113 | 96.3 Ų | 96.3 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | trans | -58.2 | 147.1 | 176.9 | 23.9 | -31.9 | 0 | 0 | 0 | 111.1 | N179 | P177-N179 PolarHBondContact O-N 3.13Š| ||
| 178 | P | 54 | Low | 60.7 | Low | 108 Ų | 108 | 102 Ų | 102 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | trans | -66.7 | 99.9 | -179.4 | 27.2 | -32.6 | 0 | 0 | 0 | 109.4 | ||||
| 179 | N | 52.2 | Low | 58.8 | Low | 152 Ų | 152 | 99.9 Ų | 99.9 | 81% | 0.813 | 63% | 0.632 | S | S | * | * | trans | -83.7 | 141.4 | 174.8 | -126.3 | 9.5 | 0 | 0 | 0 | 109.7 | P177 | P177-N179 PolarHBondContact O-N 3.13Š| ||
| 180 | P | 53.8 | Low | 57.1 | Low | 98 Ų | 98 | 105.2 Ų | 105.2 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | trans | -63.3 | 162.2 | -178.6 | 25.4 | -32.1 | 0 | 0 | 0 | 112.8 | C182 | P180-C182 PolarHBondContact O-N 3.36Š| ||
| 181 | P | 48 | Very low | 55.1 | Low | 136 Ų | 136 | 104.2 Ų | 104.2 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | trans | -63.3 | 110.8 | -169.3 | 25.1 | -33.7 | 0 | 0 | 0 | 111.3 | ||||
| 182 | C | 43.2 | Very low | 53.3 | Low | 118 Ų | 118 | 104.7 Ų | 104.7 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | trans | -113.4 | 149.1 | 168.8 | -106.2 | 0 | 0 | 0 | 0 | 110.2 | P180 | P180-C182 PolarHBondContact O-N 3.36Š| ||
| 183 | P | 55 | Low | 52 | Low | 106 Ų | 106 | 109.1 Ų | 109.1 | 69% | 0.688 | 70% | 0.704 | S | S | * | * | trans | -64.2 | 162.2 | -164.3 | 25.5 | -33.9 | 0 | 0 | 0 | 114.3 | G185 | P183-G185 PolarHBondContact O-N 2.94Š| ||
| 184 | P | 50.1 | Low | 51.6 | Low | 138 Ų | 138 | 109.8 Ų | 109.8 | 90% | 0.896 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -66.8 | 124.1 | -173.4 | 29.2 | -34 | 0 | 0 | 0 | 109.9 | ||
| 185 | G | 45.9 | Very low | 51.9 | Low | 80 Ų | 80 | 109 Ų | 109 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | 158.3 | 3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | P183 | P183-G185 PolarHBondContact O-N 2.94Š| ||
| 186 | S | 46.3 | Very low | 52.5 | Low | 103 Ų | 103 | 106.7 Ų | 106.7 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | trans | -132.6 | 93.8 | 173.2 | 37.1 | 0 | 0 | 0 | 0 | 109.7 | P188 | S186-P188 WeakPolarHBondContact O-CD 3.36Å; S186-P188 VanDerWaalsContact O-N 3.13Å | ||
| 187 | E | 52.4 | Low | 53.5 | Low | 188 Ų | 188 | 107.9 Ų | 107.9 | 88% | 0.879 | 70% | 0.698 | S | S | * | * | trans | -52.9 | 109.4 | 162.4 | -76.1 | -103.9 | 87.8 | 0 | 0 | 108.4 | G189 | E187-G189 PolarHBondContact O-N 3.28Š| ||
| 188 | P | 53.3 | Low | 54.3 | Low | 120 Ų | 120 | 107.1 Ų | 107.1 | 78% | 0.779 | 69% | 0.687 | S | S | * | * | trans | -80.5 | 86.2 | 166.6 | 8.2 | 12.8 | 0 | 0 | 0 | 104.6 | S186 | S186-P188 WeakPolarHBondContact O-CD 3.36Å; S186-P188 VanDerWaalsContact O-N 3.13Å | ||
| 189 | G | 51.6 | Low | 55.3 | Low | 55 Ų | 55 | 105.2 Ų | 105.2 | 57% | 0.567 | 67% | 0.671 | S | S | * | * | trans | -47.2 | 133.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E187 S191 | E187-G189 PolarHBondContact O-N 3.28Å; G189-S191 PolarHBondContact O-N 2.86Å | ||
| 190 | P | 54.2 | Low | 56.3 | Low | 116 Ų | 116 | 99.3 Ų | 99.3 | 75% | 0.753 | 64% | 0.639 | S | S | * | * | trans | -68.4 | 102.4 | -173.6 | 30 | -33 | 0 | 0 | 0 | 107.4 | G192 | P190-G192 VanDerWaalsContact C-N 3.26Å; P190-G192 PolarHBondContact O-N 2.97Å | ||
| 191 | S | 47.4 | Very low | 57.3 | Low | 54 Ų | 54 | 97.9 Ų | 97.9 | 38% | 0.378 | 63% | 0.63 | S | S | . | * | 61 | 29.9 | 119.7 | -59 | 0 | 0 | 0 | 0 | 117.9 | R174 G189 | R174-S191 WeakPolarHBondContact CD-OG 3.26Å; R174-S191 VanDerWaalsContact CG-OG 3.27Å; R174-S191 WeakPolarHBondContact CG-OG 3.19Å; R174-S191 PolarHBondContact NE-OG 3.46Å; R174-S191 PolarHBondContact NH1-OG 3.16Å; R174-S191 PolarHBondContact NH2-O 3.31Å; G189-S191 PolarHBondContact O-N 2.86Å | |||
| 192 | G | 46.9 | Very low | 58.6 | Low | 65 Ų | 65 | 96 Ų | 96 | 67% | 0.67 | 61% | 0.612 | S | S | * | * | trans | -103.7 | 64.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P190 E194 | P190-G192 VanDerWaalsContact C-N 3.26Å; P190-G192 PolarHBondContact O-N 2.97Å; G192-E194 PolarHBondContact O-N 3.31Å; G192-E194 VanDerWaalsContact O-N 3.17Å | ||
| 193 | L | 50.5 | Low | 60.2 | Low | 123 Ų | 123 | 92 Ų | 92 | 64% | 0.644 | 58% | 0.583 | S | S | * | * | trans | 39.1 | 65.9 | 163.6 | -140.9 | 157.2 | 0 | 0 | 0 | 114 | I195 L198 | L193-I195 PolarHBondContact O-N 3.14Å; L193-L198 HydrophobicContact CD2-CD1 3.08Å | ||
| 194 | E | 60.2 | Low | 61.5 | Low | 147 Ų | 147 | 90.7 Ų | 90.7 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | trans | -2.8 | 82.5 | 173.1 | -69.9 | -82.6 | 138.5 | 0 | 0 | 113.6 | G192 G196 S197 L198 | G192-E194 PolarHBondContact O-N 3.31Å; G192-E194 VanDerWaalsContact O-N 3.17Å; E194-G196 PolarHBondContact O-N 2.92Å; E194-G196 VanDerWaalsContact O-N 3.08Å; E194-S197 WeakPolarHBondContact O-CA 3.49Å; E194-S197 WeakPolarHBondContact O-CB 3.48Å; E194-S197 PolarHBondContact O-N 3.4Å; E194-L198 PolarHBondContact O-N 3.38Å; E194-L198 VanDerWaalsContact O-N 3.08Å | ||
| 195 | I | 65.7 | Low | 62.9 | Low | 130 Ų | 130 | 89.2 Ų | 89.2 | 67% | 0.667 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -57.2 | -32.5 | -177.1 | -143.3 | 75.2 | 0 | 0 | 0 | 109.8 | L193 L198 L199 | L193-I195 PolarHBondContact O-N 3.14Å; I195-L198 PolarHBondContact O-N 3.43Å; I195-L199 WeakPolarHBondContact O-CB 3.45Å; I195-L199 PolarHBondContact O-N 3.34Å |
| 196 | G | 67.2 | Low | 64.4 | Low | 41 Ų | 41 | 88.2 Ų | 88.2 | 42% | 0.423 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E194 L199 L200 | E194-G196 PolarHBondContact O-N 2.92Å; E194-G196 VanDerWaalsContact O-N 3.08Å; G196-L199 PolarHBondContact O-N 2.92Å; G196-L200 PolarHBondContact O-N 2.91Å; G196-L200 VanDerWaalsContact O-N 3.1Å |
| 197 | S | 70.8 | Confident | 66.2 | Low | 74 Ų | 74 | 84.1 Ų | 84.1 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.4 | -27.2 | 176 | -172.7 | 0 | 0 | 0 | 0 | 112.7 | E194 P201 | E194-S197 WeakPolarHBondContact O-CA 3.49Å; E194-S197 WeakPolarHBondContact O-CB 3.48Å; E194-S197 PolarHBondContact O-N 3.4Å; S197-P201 WeakPolarHBondContact O-CD 3.32Å; S197-P201 WeakPolarHBondContact O-CG 3.37Å |
| 198 | L | 70.4 | Confident | 67.5 | Low | 98 Ų | 98 | 80.8 Ų | 80.8 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -83.8 | -31.4 | 168.7 | -103 | 110.4 | 0 | 0 | 0 | 113.4 | L193 E194 I195 L200 P201 L202 | L193-L198 HydrophobicContact CD2-CD1 3.08Å; E194-L198 PolarHBondContact O-N 3.38Å; E194-L198 VanDerWaalsContact O-N 3.08Å; I195-L198 PolarHBondContact O-N 3.43Å; L198-L200 VanDerWaalsContact C-N 3.31Å; L198-L200 PolarHBondContact O-N 2.94Å; L198-P201 VanDerWaalsContact C-CD 3.49Å; L198-P201 WeakPolarHBondContact O-CD 3.32Å; L198-P201 VanDerWaalsContact O-CG 3.24Å; L198-P201 WeakPolarHBondContact O-CG 3.05Å; L198-L202 VanDerWaalsContact O-CB 3.23Å; L198-L202 WeakPolarHBondContact O-CB 3.39Å; L198-L202 PolarHBondContact O-N 2.89Å; L198-L202 VanDerWaalsContact O-N 3.09Å |
| 199 | L | 75.2 | Confident | 68.7 | Low | 68 Ų | 68 | 79.7 Ų | 79.7 | 36% | 0.356 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 177.4 | -177.1 | 67.5 | 0 | 0 | 0 | 111.1 | I195 G196 L202 L203 | I195-L199 WeakPolarHBondContact O-CB 3.45Å; I195-L199 PolarHBondContact O-N 3.34Å; G196-L199 PolarHBondContact O-N 2.92Å; L199-L202 PolarHBondContact O-N 3.42Å; L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 PolarHBondContact O-N 2.89Å |
| 200 | L | 74.1 | Confident | 70 | Confident | 27 Ų | 27 | 78.9 Ų | 78.9 | 14% | 0.141 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.8 | -52.3 | 179.3 | -168.9 | 64.7 | 0 | 0 | 0 | 114.1 | G196 L198 L202 L203 L204 A240 Y244 | G196-L200 PolarHBondContact O-N 2.91Å; G196-L200 VanDerWaalsContact O-N 3.1Å; L198-L200 VanDerWaalsContact C-N 3.31Å; L198-L200 PolarHBondContact O-N 2.94Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 3.38Å; L200-L203 PolarHBondContact O-N 3.46Å; L200-L204 HydrophobicContact CG-CD1 4.43Å; L200-L204 VanDerWaalsContact O-CG 3.32Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 3.36Å; L200-A240 HydrophobicContact CD1-CB 4.23Å; L200-Y244 HydrophobicContact CD2-CD2 4.34Å; L200-Y244 HydrophobicContact CD2-CE2 3.61Å |
| 201 | P | 75.7 | Confident | 71.3 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.3 | -33.5 | 175.3 | 26.5 | -34.1 | 0 | 0 | 0 | 111.9 | S197 L198 L203 L204 L205 | S197-P201 WeakPolarHBondContact O-CD 3.32Å; S197-P201 WeakPolarHBondContact O-CG 3.37Å; L198-P201 VanDerWaalsContact C-CD 3.49Å; L198-P201 WeakPolarHBondContact O-CD 3.32Å; L198-P201 VanDerWaalsContact O-CG 3.24Å; L198-P201 WeakPolarHBondContact O-CG 3.05Å; P201-L203 VanDerWaalsContact C-N 3.34Å; P201-L204 PolarHBondContact O-N 2.88Å; P201-L205 VanDerWaalsContact O-CB 3.29Å; P201-L205 WeakPolarHBondContact O-CB 3.34Å; P201-L205 PolarHBondContact O-N 3.3Å |
| 202 | L | 75.3 | Confident | 72.7 | Confident | 95 Ų | 95 | 82.2 Ų | 82.2 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 173.4 | -178.9 | 68.1 | 0 | 0 | 0 | 111.4 | L198 L199 L200 L205 L206 | L198-L202 VanDerWaalsContact O-CB 3.23Å; L198-L202 WeakPolarHBondContact O-CB 3.39Å; L198-L202 PolarHBondContact O-N 2.89Å; L198-L202 VanDerWaalsContact O-N 3.09Å; L199-L202 PolarHBondContact O-N 3.42Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 3.38Å; L202-L205 WeakPolarHBondContact O-CB 3.44Å; L202-L205 PolarHBondContact O-N 2.84Å; L202-L206 WeakPolarHBondContact O-CB 3.36Å; L202-L206 PolarHBondContact O-N 2.88Å |
| 203 | L | 76.8 | Confident | 73.9 | Confident | 36 Ų | 36 | 81.2 Ų | 81.2 | 19% | 0.188 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 178.2 | -176.6 | 61.8 | 0 | 0 | 0 | 111.6 | L199 L200 P201 L206 L207 F232 L236 | L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 PolarHBondContact O-N 2.89Å; L200-L203 PolarHBondContact O-N 3.46Å; P201-L203 VanDerWaalsContact C-N 3.34Å; L203-L206 PolarHBondContact O-N 3.28Å; L203-L207 WeakPolarHBondContact O-CB 3.24Å; L203-L207 PolarHBondContact O-N 3.5Å; L203-F232 HydrophobicContact CD1-CE1 4.34Å; L203-F232 HydrophobicContact CD1-CZ 3.94Å; L203-L236 HydrophobicContact CD1-CD2 3.97Å; L203-L236 HydrophobicContact CD2-CD1 4Å; L203-L236 HydrophobicContact CD2-CD2 3.93Å; L203-L236 HydrophobicContact CD2-CG 3.66Å; L203-L236 HydrophobicContact CG-CD1 4.43Å; L203-L236 HydrophobicContact CG-CD2 3.54Å; L203-L236 HydrophobicContact CG-CG 3.9Å |
| 204 | L | 81.8 | Confident | 75.2 | Confident | 77 Ų | 77 | 75.7 Ų | 75.7 | 40% | 0.403 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 172.1 | -70.9 | 169.6 | 0 | 0 | 0 | 112.2 | L200 P201 L207 L208 | L200-L204 HydrophobicContact CG-CD1 4.43Å; L200-L204 VanDerWaalsContact O-CG 3.32Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 3.36Å; P201-L204 PolarHBondContact O-N 2.88Å; L204-L207 WeakPolarHBondContact O-CB 3.33Å; L204-L207 PolarHBondContact O-N 2.86Å; L204-L208 PolarHBondContact O-N 3.46Å |
| 205 | L | 79.4 | Confident | 76 | Confident | 108 Ų | 108 | 73.4 Ų | 73.4 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.5 | -44.2 | 174.7 | 178.4 | 67 | 0 | 0 | 0 | 111.4 | P201 L202 L207 L208 L209 | P201-L205 VanDerWaalsContact O-CB 3.29Å; P201-L205 WeakPolarHBondContact O-CB 3.34Å; P201-L205 PolarHBondContact O-N 3.3Å; L202-L205 WeakPolarHBondContact O-CB 3.44Å; L202-L205 PolarHBondContact O-N 2.84Å; L205-L207 VanDerWaalsContact C-N 3.32Å; L205-L207 PolarHBondContact O-N 3.35Å; L205-L208 WeakPolarHBondContact O-CB 3.44Å; L205-L208 PolarHBondContact O-N 2.85Å; L205-L209 PolarHBondContact O-N 3.35Å |
| 206 | L | 78 | Confident | 76.6 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 31% | 0.309 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 174.2 | -177.5 | 63.3 | 0 | 0 | 0 | 110.3 | L22 L202 L203 L208 L209 L210 | L22-L206 HydrophobicContact CD2-CD2 4.09Å; L202-L206 WeakPolarHBondContact O-CB 3.36Å; L202-L206 PolarHBondContact O-N 2.88Å; L203-L206 PolarHBondContact O-N 3.28Å; L206-L208 VanDerWaalsContact C-N 3.33Å; L206-L208 PolarHBondContact O-N 3.03Å; L206-L209 WeakPolarHBondContact O-CB 3.27Å; L206-L209 PolarHBondContact O-N 2.91Å; L206-L209 VanDerWaalsContact O-N 3.14Å; L206-L210 HydrophobicContact CD1-CD1 3.72Å; L206-L210 HydrophobicContact CG-CD1 3.85Å; L206-L210 WeakPolarHBondContact O-CD1 3.33Å; L206-L210 PolarHBondContact O-N 3.23Å |
| 207 | L | 83.1 | Confident | 76.7 | Confident | 16 Ų | 16 | 76.8 Ų | 76.8 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 176.5 | -175.8 | 69.6 | 0 | 0 | 0 | 112.5 | L203 L204 L205 L209 L210 W211 L229 F232 T233 L236 | L203-L207 WeakPolarHBondContact O-CB 3.24Å; L203-L207 PolarHBondContact O-N 3.5Å; L204-L207 WeakPolarHBondContact O-CB 3.33Å; L204-L207 PolarHBondContact O-N 2.86Å; L205-L207 VanDerWaalsContact C-N 3.32Å; L205-L207 PolarHBondContact O-N 3.35Å; L207-L209 VanDerWaalsContact C-N 3.34Å; L207-L210 PolarHBondContact O-N 3.32Å; L207-W211 PolarHBondContact O-N 2.83Å; L207-L229 HydrophobicContact CD1-CD1 3.71Å; L207-F232 HydrophobicContact CD1-CD1 3.69Å; L207-F232 HydrophobicContact CD1-CE1 4.17Å; L207-T233 HydrophobicContact CD2-CG2 4.07Å; L207-L236 HydrophobicContact CB-CD2 4.14Å; L207-L236 HydrophobicContact CD1-CD2 4.28Å; L207-L236 HydrophobicContact CD2-CD2 3.93Å; L207-L236 HydrophobicContact CG-CD2 4.36Å |
| 208 | L | 80.8 | Confident | 76.5 | Confident | 118 Ų | 118 | 81.2 Ų | 81.2 | 62% | 0.618 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 175.5 | -175.4 | 71.6 | 0 | 0 | 0 | 111.5 | L204 L205 L206 W211 Y212 | L204-L208 PolarHBondContact O-N 3.46Å; L205-L208 WeakPolarHBondContact O-CB 3.44Å; L205-L208 PolarHBondContact O-N 2.85Å; L206-L208 VanDerWaalsContact C-N 3.33Å; L206-L208 PolarHBondContact O-N 3.03Å; L208-W211 PolarHBondContact O-N 3.44Å; L208-Y212 WeakPolarHBondContact O-CB 3.32Å; L208-Y212 PolarHBondContact O-N 3.15Å |
| 209 | L | 76.7 | Confident | 76.3 | Confident | 98 Ų | 98 | 81.9 Ų | 81.9 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 176.7 | -174.6 | 63.7 | 0 | 0 | 0 | 111.7 | L205 L206 L207 Y212 C213 | L205-L209 PolarHBondContact O-N 3.35Å; L206-L209 WeakPolarHBondContact O-CB 3.27Å; L206-L209 PolarHBondContact O-N 2.91Å; L206-L209 VanDerWaalsContact O-N 3.14Å; L207-L209 VanDerWaalsContact C-N 3.34Å; L209-Y212 WeakPolarHBondContact O-CB 3.32Å; L209-Y212 PolarHBondContact O-N 3.33Å; L209-C213 PolarHBondContact O-N 2.89Å; L209-C213 PolarHBondContact O-SG 3.32Å; L209-C213 VanDerWaalsContact O-SG 3.38Å |
| 210 | L | 80 | Confident | 75.9 | Confident | 38 Ų | 38 | 86.3 Ų | 86.3 | 20% | 0.199 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 174.6 | -88.6 | 73.4 | 0 | 0 | 0 | 111.4 | F15 L206 L207 C213 Q214 L229 | F15-L210 HydrophobicContact CE1-CD2 4.19Å; F15-L210 HydrophobicContact CZ-CD2 4.34Å; F15-L210 HydrophobicContact CZ-CG 4.24Å; L206-L210 HydrophobicContact CD1-CD1 3.72Å; L206-L210 HydrophobicContact CG-CD1 3.85Å; L206-L210 WeakPolarHBondContact O-CD1 3.33Å; L206-L210 PolarHBondContact O-N 3.23Å; L207-L210 PolarHBondContact O-N 3.32Å; L210-C213 PolarHBondContact O-N 2.9Å; L210-Q214 WeakPolarHBondContact O-CB 3.35Å; L210-Q214 WeakPolarHBondContact O-CG 3.43Å; L210-Q214 PolarHBondContact O-N 3.48Å; L210-L229 HydrophobicContact CB-CD1 3.75Å; L210-L229 HydrophobicContact CB-CD2 4.25Å; L210-L229 HydrophobicContact CD2-CD1 3.89Å; L210-L229 HydrophobicContact CG-CD1 4.48Å |
| 211 | W | 82.4 | Confident | 75.6 | Confident | 99 Ų | 99 | 87.5 Ų | 87.5 | 38% | 0.375 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 173.3 | -96.9 | 101.4 | 0 | 0 | 0 | 112.6 | L207 L208 Q214 I215 L229 T233 | L207-W211 PolarHBondContact O-N 2.83Å; L208-W211 PolarHBondContact O-N 3.44Å; W211-Q214 WeakPolarHBondContact O-CB 3.21Å; W211-Q214 PolarHBondContact O-N 3.02Å; W211-I215 HydrophobicContact CE3-CD1 4.42Å; W211-I215 VanDerWaalsContact O-CG1 3.32Å; W211-I215 WeakPolarHBondContact O-CG1 3.39Å; W211-I215 PolarHBondContact O-N 3.3Å; W211-L229 HydrophobicContact CD2-CD2 4.1Å; W211-L229 HydrophobicContact CG-CD2 3.96Å; W211-T233 PolarHBondContact NE1-OG1 3.44Å |
| 212 | Y | 76.9 | Confident | 75.4 | Confident | 140 Ų | 140 | 86.7 Ų | 86.7 | 55% | 0.549 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 175.6 | 177.1 | -98.1 | 0 | 0 | 0 | 111.5 | L208 L209 Q214 I215 Q216 | L208-Y212 WeakPolarHBondContact O-CB 3.32Å; L208-Y212 PolarHBondContact O-N 3.15Å; L209-Y212 WeakPolarHBondContact O-CB 3.32Å; L209-Y212 PolarHBondContact O-N 3.33Å; Y212-Q214 VanDerWaalsContact C-N 3.28Å; Y212-Q214 PolarHBondContact O-N 3.18Å; Y212-I215 PolarHBondContact O-N 2.73Å; Y212-I215 VanDerWaalsContact O-N 3.13Å; Y212-Q216 PolarHBondContact O-N 3.37Å |
| 213 | C | 71.2 | Confident | 75.3 | Confident | 44 Ų | 44 | 88.8 Ų | 88.8 | 30% | 0.297 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 175.1 | -72.5 | 0 | 0 | 0 | 0 | 111.5 | L209 L210 I215 Q216 Y217 | L209-C213 PolarHBondContact O-N 2.89Å; L209-C213 PolarHBondContact O-SG 3.32Å; L209-C213 VanDerWaalsContact O-SG 3.38Å; L210-C213 PolarHBondContact O-N 2.9Å; C213-I215 VanDerWaalsContact C-N 3.34Å; C213-I215 PolarHBondContact O-N 3.4Å; C213-Q216 PolarHBondContact O-N 2.8Å; C213-Y217 HydrophobicContact CB-CD2 4.35Å; C213-Y217 WeakPolarHBondContact O-CA 3.42Å; C213-Y217 VanDerWaalsContact O-CB 3.27Å; C213-Y217 WeakPolarHBondContact O-CB 3.43Å; C213-Y217 WeakPolarHBondContact O-CD2 3.47Å; C213-Y217 PolarHBondContact O-N 3.37Å |
| 214 | Q | 78.3 | Confident | 75.1 | Confident | 7 Ų | 7 | 92.5 Ų | 92.5 | 3% | 0.033 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 174.9 | -92.2 | -93.1 | 35.7 | 0 | 0 | 114.2 | L210 W211 Y212 R218 F221 T226 L229 | L210-Q214 WeakPolarHBondContact O-CB 3.35Å; L210-Q214 WeakPolarHBondContact O-CG 3.43Å; L210-Q214 PolarHBondContact O-N 3.48Å; W211-Q214 WeakPolarHBondContact O-CB 3.21Å; W211-Q214 PolarHBondContact O-N 3.02Å; Y212-Q214 VanDerWaalsContact C-N 3.28Å; Y212-Q214 PolarHBondContact O-N 3.18Å; Q214-R218 WeakPolarHBondContact O-CA 3.36Å; Q214-R218 WeakPolarHBondContact O-CG 3.27Å; Q214-R218 PolarHBondContact O-N 2.9Å; Q214-R218 VanDerWaalsContact O-N 3.15Å; Q214-F221 HydrophobicContact CG-CD1 3.83Å; Q214-F221 HydrophobicContact CG-CD2 3.89Å; Q214-F221 HydrophobicContact CG-CE1 3.74Å; Q214-F221 HydrophobicContact CG-CE2 3.87Å; Q214-F221 HydrophobicContact CG-CG 3.85Å; Q214-F221 HydrophobicContact CG-CZ 3.78Å; Q214-F221 VanDerWaalsContact OE1-CD1 3.28Å; Q214-T226 PolarHBondContact NE2-OG1 3.29Å; Q214-T226 PolarHBondContact OE1-OG1 3.49Å; Q214-L229 HydrophobicContact CB-CD2 4.26Å; Q214-L229 HydrophobicContact CG-CD2 3.67Å |
| 215 | I | 77.1 | Confident | 74.6 | Confident | 99 Ų | 99 | 89.8 Ų | 89.8 | 51% | 0.508 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -74.7 | -43.2 | 178.4 | -67.4 | 164.5 | 0 | 0 | 0 | 110.7 | W211 Y212 C213 R218 | W211-I215 HydrophobicContact CE3-CD1 4.42Å; W211-I215 VanDerWaalsContact O-CG1 3.32Å; W211-I215 WeakPolarHBondContact O-CG1 3.39Å; W211-I215 PolarHBondContact O-N 3.3Å; Y212-I215 PolarHBondContact O-N 2.73Å; Y212-I215 VanDerWaalsContact O-N 3.13Å; C213-I215 VanDerWaalsContact C-N 3.34Å; C213-I215 PolarHBondContact O-N 3.4Å; I215-R218 WeakPolarHBondContact O-CG 3.42Å |
| 216 | Q | 77.3 | Confident | 74.5 | Confident | 115 Ų | 115 | 87 Ų | 87 | 54% | 0.537 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -76 | -37.4 | -176.4 | -169.9 | 60.7 | 45.6 | 0 | 0 | 112.6 | Y212 C213 | Y212-Q216 PolarHBondContact O-N 3.37Å; C213-Q216 PolarHBondContact O-N 2.8Å |
| 217 | Y | 68.7 | Low | 74.4 | Confident | 127 Ų | 127 | 89.7 Ų | 89.7 | 50% | 0.498 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 31.5 | 179.7 | -57.3 | -78.6 | 0 | 0 | 0 | 111.7 | C213 P219 F220 F221 | C213-Y217 HydrophobicContact CB-CD2 4.35Å; C213-Y217 WeakPolarHBondContact O-CA 3.42Å; C213-Y217 VanDerWaalsContact O-CB 3.27Å; C213-Y217 WeakPolarHBondContact O-CB 3.43Å; C213-Y217 WeakPolarHBondContact O-CD2 3.47Å; C213-Y217 PolarHBondContact O-N 3.37Å; Y217-P219 VanDerWaalsContact C-N 3.25Å; Y217-P219 VanDerWaalsContact O-N 3.09Å; Y217-F220 AromaticContact CD1-CD2 3.94Å; Y217-F220 HydrophobicContact CD1-CD2 3.94Å; Y217-F220 HydrophobicContact CD1-CE2 4.2Å; Y217-F220 HydrophobicContact CG-CD2 4.44Å; Y217-F220 WeakPolarHBondContact O-CA 3.39Å; Y217-F220 WeakPolarHBondContact O-CB 3.49Å; Y217-F220 PolarHBondContact O-N 2.89Å; Y217-F221 PolarHBondContact O-N 3.23Å |
| 218 | R | 67.2 | Low | 74 | Confident | 168 Ų | 168 | 91 Ų | 91 | 63% | 0.634 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -35.9 | -47.9 | 170.4 | -85.8 | -79.5 | 174.7 | 126.3 | -2.6 | 114.2 | Q214 I215 F220 F221 | Q214-R218 WeakPolarHBondContact O-CA 3.36Å; Q214-R218 WeakPolarHBondContact O-CG 3.27Å; Q214-R218 PolarHBondContact O-N 2.9Å; Q214-R218 VanDerWaalsContact O-N 3.15Å; I215-R218 WeakPolarHBondContact O-CG 3.42Å; R218-F220 PolarHBondContact O-N 2.93Å; R218-F221 PolarHBondContact O-N 3.31Å |
| 219 | P | 65.7 | Low | 74 | Confident | 112 Ų | 112 | 86 Ų | 86 | 73% | 0.727 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -70.7 | -16.7 | -178.5 | 25.9 | -34.5 | 0 | 0 | 0 | 114.5 | Y217 | Y217-P219 VanDerWaalsContact C-N 3.25Å; Y217-P219 VanDerWaalsContact O-N 3.09Å |
| 220 | F | 67.4 | Low | 73.9 | Confident | 160 Ų | 160 | 83.8 Ų | 83.8 | 70% | 0.702 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -96.6 | -10 | 179.1 | -60.8 | -81.3 | 0 | 0 | 0 | 113 | Y217 R218 P222 | Y217-F220 AromaticContact CD1-CD2 3.94Å; Y217-F220 HydrophobicContact CD1-CD2 3.94Å; Y217-F220 HydrophobicContact CD1-CE2 4.2Å; Y217-F220 HydrophobicContact CG-CD2 4.44Å; Y217-F220 WeakPolarHBondContact O-CA 3.39Å; Y217-F220 WeakPolarHBondContact O-CB 3.49Å; Y217-F220 PolarHBondContact O-N 2.89Å; R218-F220 PolarHBondContact O-N 2.93Å; F220-P222 VanDerWaalsContact O-CD 3.28Å; F220-P222 WeakPolarHBondContact O-CD 3.48Å |
| 221 | F | 68 | Low | 73.7 | Confident | 53 Ų | 53 | 83.9 Ų | 83.9 | 23% | 0.232 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -99.9 | 106.7 | -176.2 | -122.6 | -87.2 | 0 | 0 | 0 | 111.3 | Q214 Y217 R218 A225 | Q214-F221 HydrophobicContact CG-CD1 3.83Å; Q214-F221 HydrophobicContact CG-CD2 3.89Å; Q214-F221 HydrophobicContact CG-CE1 3.74Å; Q214-F221 HydrophobicContact CG-CE2 3.87Å; Q214-F221 HydrophobicContact CG-CG 3.85Å; Q214-F221 HydrophobicContact CG-CZ 3.78Å; Q214-F221 VanDerWaalsContact OE1-CD1 3.28Å; Y217-F221 PolarHBondContact O-N 3.23Å; R218-F221 PolarHBondContact O-N 3.31Å; F221-A225 HydrophobicContact CD1-CB 3.3Å; F221-A225 HydrophobicContact CE1-CB 3.18Å; F221-A225 HydrophobicContact CG-CB 4.46Å; F221-A225 HydrophobicContact CZ-CB 4.22Å |
| 222 | P | 70.6 | Confident | 73.5 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 34% | 0.338 | 44% | 0.439 | S | S | . | . | trans | -67.1 | 155.8 | 178.2 | 27.4 | -33.4 | 0 | 0 | 0 | 111 | F220 T224 A225 T226 | F220-P222 VanDerWaalsContact O-CD 3.28Å; F220-P222 WeakPolarHBondContact O-CD 3.48Å; P222-T224 PolarHBondContact O-N 2.82Å; P222-T224 VanDerWaalsContact O-N 3.09Å; P222-A225 HydrophobicContact CG-CB 4.02Å; P222-A225 PolarHBondContact O-N 2.8Å; P222-T226 PolarHBondContact O-N 2.95Å | ||
| 223 | L | 74.5 | Confident | 73.8 | Confident | 139 Ų | 139 | 77.9 Ų | 77.9 | 73% | 0.728 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -50.3 | -39.4 | -178.4 | -175.4 | 67.6 | 0 | 0 | 0 | 112.6 | A225 T226 L227 | L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 2.97Å; L223-T226 PolarHBondContact O-N 3.43Å; L223-L227 HydrophobicContact CD1-CD1 4.2Å; L223-L227 HydrophobicContact CG-CD1 4.17Å; L223-L227 WeakPolarHBondContact O-CD1 3.37Å; L223-L227 PolarHBondContact O-N 2.89Å |
| 224 | T | 73 | Confident | 74.2 | Confident | 113 Ų | 113 | 81.2 Ų | 81.2 | 69% | 0.693 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.2 | -42.5 | 178.4 | -46.7 | 0 | 0 | 0 | 0 | 112.5 | P222 T226 L227 G228 | P222-T224 PolarHBondContact O-N 2.82Å; P222-T224 VanDerWaalsContact O-N 3.09Å; T224-T226 VanDerWaalsContact C-N 3.32Å; T224-L227 PolarHBondContact O-N 3.31Å; T224-G228 PolarHBondContact O-N 3.4Å |
| 225 | A | 70.6 | Confident | 74.2 | Confident | 20 Ų | 20 | 86.1 Ų | 86.1 | 17% | 0.165 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -75.1 | -27.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | T12 F221 P222 L223 G228 L229 | T12-A225 HydrophobicContact CG2-CB 4.47Å; F221-A225 HydrophobicContact CD1-CB 3.3Å; F221-A225 HydrophobicContact CE1-CB 3.18Å; F221-A225 HydrophobicContact CG-CB 4.46Å; F221-A225 HydrophobicContact CZ-CB 4.22Å; P222-A225 HydrophobicContact CG-CB 4.02Å; P222-A225 PolarHBondContact O-N 2.8Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 2.97Å; A225-G228 PolarHBondContact O-N 3.43Å; A225-L229 PolarHBondContact O-N 3.31Å |
| 226 | T | 76.8 | Confident | 74.2 | Confident | 50 Ų | 50 | 81.9 Ų | 81.9 | 31% | 0.307 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.3 | -42.1 | 168 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | Q214 P222 L223 T224 G228 L229 A230 | Q214-T226 PolarHBondContact NE2-OG1 3.29Å; Q214-T226 PolarHBondContact OE1-OG1 3.49Å; P222-T226 PolarHBondContact O-N 2.95Å; L223-T226 PolarHBondContact O-N 3.43Å; T224-T226 VanDerWaalsContact C-N 3.32Å; T226-G228 VanDerWaalsContact C-N 3.31Å; T226-G228 PolarHBondContact O-N 3.44Å; T226-L229 PolarHBondContact O-N 2.94Å; T226-A230 WeakPolarHBondContact O-CB 3.5Å; T226-A230 PolarHBondContact O-N 2.86Å |
| 227 | L | 76.5 | Confident | 74.3 | Confident | 116 Ų | 116 | 80 Ų | 80 | 61% | 0.607 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 171.8 | -100.2 | 75.8 | 0 | 0 | 0 | 111.5 | L223 T224 A230 G231 | L223-L227 HydrophobicContact CD1-CD1 4.2Å; L223-L227 HydrophobicContact CG-CD1 4.17Å; L223-L227 WeakPolarHBondContact O-CD1 3.37Å; L223-L227 PolarHBondContact O-N 2.89Å; T224-L227 PolarHBondContact O-N 3.31Å; L227-A230 PolarHBondContact O-N 3.41Å; L227-G231 PolarHBondContact O-N 3.44Å |
| 228 | G | 73.4 | Confident | 74.8 | Confident | 44 Ų | 44 | 78.9 Ų | 78.9 | 45% | 0.454 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T224 A225 T226 A230 G231 F232 | T224-G228 PolarHBondContact O-N 3.4Å; A225-G228 PolarHBondContact O-N 3.43Å; T226-G228 VanDerWaalsContact C-N 3.31Å; T226-G228 PolarHBondContact O-N 3.44Å; G228-A230 VanDerWaalsContact C-N 3.33Å; G228-A230 PolarHBondContact O-N 2.88Å; G228-G231 PolarHBondContact O-N 3.33Å; G228-F232 WeakPolarHBondContact O-CB 3.33Å; G228-F232 PolarHBondContact O-N 2.98Å |
| 229 | L | 80.8 | Confident | 75.4 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 6% | 0.063 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 177.2 | -175.2 | 62.3 | 0 | 0 | 0 | 112.3 | L207 L210 W211 Q214 A225 T226 F232 T233 | L207-L229 HydrophobicContact CD1-CD1 3.71Å; L210-L229 HydrophobicContact CB-CD1 3.75Å; L210-L229 HydrophobicContact CB-CD2 4.25Å; L210-L229 HydrophobicContact CD2-CD1 3.89Å; L210-L229 HydrophobicContact CG-CD1 4.48Å; W211-L229 HydrophobicContact CD2-CD2 4.1Å; W211-L229 HydrophobicContact CG-CD2 3.96Å; Q214-L229 HydrophobicContact CB-CD2 4.26Å; Q214-L229 HydrophobicContact CG-CD2 3.67Å; A225-L229 PolarHBondContact O-N 3.31Å; T226-L229 PolarHBondContact O-N 2.94Å; L229-F232 PolarHBondContact O-N 2.87Å; L229-T233 WeakPolarHBondContact O-CB 3.37Å; L229-T233 PolarHBondContact O-N 3.24Å; L229-T233 PolarHBondContact O-OG1 3.33Å |
| 230 | A | 76.5 | Confident | 75.9 | Confident | 51 Ų | 51 | 70.5 Ų | 70.5 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T226 L227 G228 T233 L234 | T226-A230 WeakPolarHBondContact O-CB 3.5Å; T226-A230 PolarHBondContact O-N 2.86Å; L227-A230 PolarHBondContact O-N 3.41Å; G228-A230 VanDerWaalsContact C-N 3.33Å; G228-A230 PolarHBondContact O-N 2.88Å; A230-T233 WeakPolarHBondContact O-CB 3.25Å; A230-T233 PolarHBondContact O-N 3.39Å; A230-L234 PolarHBondContact O-N 3.02Å |
| 231 | G | 74.5 | Confident | 76.5 | Confident | 41 Ų | 41 | 69.1 Ų | 69.1 | 42% | 0.423 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L227 G228 L234 L235 | L227-G231 PolarHBondContact O-N 3.44Å; G228-G231 PolarHBondContact O-N 3.33Å; G231-L234 PolarHBondContact O-N 3.35Å; G231-L235 PolarHBondContact O-N 2.95Å |
| 232 | F | 78.2 | Confident | 77 | Confident | 70 Ų | 70 | 69.6 Ų | 69.6 | 31% | 0.307 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 176.1 | -173.1 | -109.6 | 0 | 0 | 0 | 111.9 | L203 L207 G228 L229 L234 L235 L236 | L203-F232 HydrophobicContact CD1-CE1 4.34Å; L203-F232 HydrophobicContact CD1-CZ 3.94Å; L207-F232 HydrophobicContact CD1-CD1 3.69Å; L207-F232 HydrophobicContact CD1-CE1 4.17Å; G228-F232 WeakPolarHBondContact O-CB 3.33Å; G228-F232 PolarHBondContact O-N 2.98Å; L229-F232 PolarHBondContact O-N 2.87Å; F232-L234 VanDerWaalsContact C-N 3.3Å; F232-L234 PolarHBondContact O-N 3.45Å; F232-L235 PolarHBondContact O-N 2.96Å; F232-L236 HydrophobicContact CD1-CD1 4.04Å; F232-L236 HydrophobicContact CD1-CD2 3.91Å; F232-L236 HydrophobicContact CD2-CD1 3.82Å; F232-L236 HydrophobicContact CE1-CD1 3.69Å; F232-L236 HydrophobicContact CE1-CD2 3.39Å; F232-L236 HydrophobicContact CE1-CG 4.2Å; F232-L236 HydrophobicContact CE2-CD1 3.45Å; F232-L236 VanDerWaalsContact CE2-CD1 3.45Å; F232-L236 HydrophobicContact CG-CD1 4.1Å; F232-L236 HydrophobicContact CZ-CD1 3.39Å; F232-L236 HydrophobicContact CZ-CD2 3.86Å; F232-L236 HydrophobicContact CZ-CG 4.27Å; F232-L236 WeakPolarHBondContact O-CB 3.34Å; F232-L236 WeakPolarHBondContact O-CD1 3.2Å; F232-L236 PolarHBondContact O-N 3.09Å |
| 233 | T | 83 | Confident | 77.1 | Confident | 42 Ų | 42 | 73.6 Ų | 73.6 | 26% | 0.258 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56.2 | -45.2 | 172.3 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | L207 W211 L229 A230 S237 | L207-T233 HydrophobicContact CD2-CG2 4.07Å; W211-T233 PolarHBondContact NE1-OG1 3.44Å; L229-T233 WeakPolarHBondContact O-CB 3.37Å; L229-T233 PolarHBondContact O-N 3.24Å; L229-T233 PolarHBondContact O-OG1 3.33Å; A230-T233 WeakPolarHBondContact O-CB 3.25Å; A230-T233 PolarHBondContact O-N 3.39Å; T233-S237 WeakPolarHBondContact O-CB 3.25Å; T233-S237 PolarHBondContact O-N 2.95Å |
| 234 | L | 80.4 | Confident | 77 | Confident | 115 Ų | 115 | 75.5 Ų | 75.5 | 60% | 0.602 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.6 | -44 | 179.2 | -173.4 | 126.8 | 0 | 0 | 0 | 111.9 | A230 G231 F232 S237 L238 | A230-L234 PolarHBondContact O-N 3.02Å; G231-L234 PolarHBondContact O-N 3.35Å; F232-L234 VanDerWaalsContact C-N 3.3Å; F232-L234 PolarHBondContact O-N 3.45Å; L234-S237 PolarHBondContact O-N 3.29Å; L234-L238 HydrophobicContact CD2-CD1 3.89Å; L234-L238 WeakPolarHBondContact O-CG 3.41Å; L234-L238 PolarHBondContact O-N 3.46Å |
| 235 | L | 77.1 | Confident | 77 | Confident | 109 Ų | 109 | 78.6 Ų | 78.6 | 57% | 0.571 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | 176.5 | -175.6 | 68.8 | 0 | 0 | 0 | 111.9 | G231 F232 S237 L238 L239 | G231-L235 PolarHBondContact O-N 2.95Å; F232-L235 PolarHBondContact O-N 2.96Å; L235-S237 VanDerWaalsContact C-N 3.32Å; L235-S237 PolarHBondContact O-N 3.48Å; L235-L238 PolarHBondContact O-N 2.92Å; L235-L239 PolarHBondContact O-N 3.41Å |
| 236 | L | 77.7 | Confident | 76 | Confident | 10 Ų | 10 | 86.7 Ų | 86.7 | 5% | 0.052 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 175.9 | -95.8 | 55.4 | 0 | 0 | 0 | 111.6 | L203 L207 F232 L238 L239 A240 | L203-L236 HydrophobicContact CD1-CD2 3.97Å; L203-L236 HydrophobicContact CD2-CD1 4Å; L203-L236 HydrophobicContact CD2-CD2 3.93Å; L203-L236 HydrophobicContact CD2-CG 3.66Å; L203-L236 HydrophobicContact CG-CD1 4.43Å; L203-L236 HydrophobicContact CG-CD2 3.54Å; L203-L236 HydrophobicContact CG-CG 3.9Å; L207-L236 HydrophobicContact CB-CD2 4.14Å; L207-L236 HydrophobicContact CD1-CD2 4.28Å; L207-L236 HydrophobicContact CD2-CD2 3.93Å; L207-L236 HydrophobicContact CG-CD2 4.36Å; F232-L236 HydrophobicContact CD1-CD1 4.04Å; F232-L236 HydrophobicContact CD1-CD2 3.91Å; F232-L236 HydrophobicContact CD2-CD1 3.82Å; F232-L236 HydrophobicContact CE1-CD1 3.69Å; F232-L236 HydrophobicContact CE1-CD2 3.39Å; F232-L236 HydrophobicContact CE1-CG 4.2Å; F232-L236 HydrophobicContact CE2-CD1 3.45Å; F232-L236 VanDerWaalsContact CE2-CD1 3.45Å; F232-L236 HydrophobicContact CG-CD1 4.1Å; F232-L236 HydrophobicContact CZ-CD1 3.39Å; F232-L236 HydrophobicContact CZ-CD2 3.86Å; F232-L236 HydrophobicContact CZ-CG 4.27Å; F232-L236 WeakPolarHBondContact O-CB 3.34Å; F232-L236 WeakPolarHBondContact O-CD1 3.2Å; F232-L236 PolarHBondContact O-N 3.09Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L236-L239 PolarHBondContact O-N 3.27Å; L236-A240 VanDerWaalsContact O-CB 3.26Å; L236-A240 WeakPolarHBondContact O-CB 3.42Å; L236-A240 PolarHBondContact O-N 2.98Å |
| 237 | S | 80.3 | Confident | 75.9 | Confident | 77 Ų | 77 | 88.5 Ų | 88.5 | 54% | 0.538 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 175.3 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | T233 L234 L235 F241 | T233-S237 WeakPolarHBondContact O-CB 3.25Å; T233-S237 PolarHBondContact O-N 2.95Å; L234-S237 PolarHBondContact O-N 3.29Å; L235-S237 VanDerWaalsContact C-N 3.32Å; L235-S237 PolarHBondContact O-N 3.48Å; S237-F241 VanDerWaalsContact O-CB 3.27Å; S237-F241 WeakPolarHBondContact O-CB 3.37Å; S237-F241 PolarHBondContact O-N 2.92Å |
| 238 | L | 78.7 | Confident | 75.9 | Confident | 102 Ų | 102 | 87.1 Ų | 87.1 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 175.6 | -73.5 | 171.9 | 0 | 0 | 0 | 111.6 | L234 L235 L236 F241 A242 | L234-L238 HydrophobicContact CD2-CD1 3.89Å; L234-L238 WeakPolarHBondContact O-CG 3.41Å; L234-L238 PolarHBondContact O-N 3.46Å; L235-L238 PolarHBondContact O-N 2.92Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L238-F241 PolarHBondContact O-N 3.41Å; L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 2.88Å |
| 239 | L | 79.4 | Confident | 76.1 | Confident | 91 Ų | 91 | 89.4 Ų | 89.4 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 176.1 | -176.6 | 62.5 | 0 | 0 | 0 | 111.1 | L235 L236 F241 A242 M243 | L235-L239 PolarHBondContact O-N 3.41Å; L236-L239 PolarHBondContact O-N 3.27Å; L239-F241 VanDerWaalsContact C-N 3.32Å; L239-F241 PolarHBondContact O-N 2.86Å; L239-A242 PolarHBondContact O-N 3.39Å; L239-M243 WeakPolarHBondContact O-CB 3.36Å; L239-M243 VanDerWaalsContact O-CG 3.3Å; L239-M243 WeakPolarHBondContact O-CG 3.45Å; L239-M243 PolarHBondContact O-N 2.99Å |
| 240 | A | 76.4 | Confident | 75.8 | Confident | 14 Ų | 14 | 94 Ų | 94 | 12% | 0.116 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L200 L236 A242 M243 Y244 | L200-A240 HydrophobicContact CD1-CB 4.23Å; L236-A240 VanDerWaalsContact O-CB 3.26Å; L236-A240 WeakPolarHBondContact O-CB 3.42Å; L236-A240 PolarHBondContact O-N 2.98Å; A240-A242 VanDerWaalsContact C-N 3.33Å; A240-A242 PolarHBondContact O-N 2.91Å; A240-M243 PolarHBondContact O-N 3.26Å; A240-M243 VanDerWaalsContact O-N 3.16Å; A240-Y244 HydrophobicContact CB-CD2 4.32Å; A240-Y244 WeakPolarHBondContact O-CB 3.46Å; A240-Y244 WeakPolarHBondContact O-CD2 3.47Å; A240-Y244 PolarHBondContact O-N 3.3Å |
| 241 | F | 81 | Confident | 75.7 | Confident | 130 Ų | 130 | 96.7 Ų | 96.7 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.8 | -40 | 177.1 | -176.8 | -98.2 | 0 | 0 | 0 | 112.8 | S237 L238 L239 M243 Y244 R245 | S237-F241 VanDerWaalsContact O-CB 3.27Å; S237-F241 WeakPolarHBondContact O-CB 3.37Å; S237-F241 PolarHBondContact O-N 2.92Å; L238-F241 PolarHBondContact O-N 3.41Å; L239-F241 VanDerWaalsContact C-N 3.32Å; L239-F241 PolarHBondContact O-N 2.86Å; F241-M243 VanDerWaalsContact C-N 3.33Å; F241-Y244 PolarHBondContact O-N 3.42Å; F241-R245 WeakPolarHBondContact O-CB 3.28Å; F241-R245 PolarHBondContact O-N 3.17Å |
| 242 | A | 76.9 | Confident | 75.8 | Confident | 63 Ų | 63 | 100.4 Ų | 100.4 | 52% | 0.521 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L238 L239 A240 | L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 2.88Å; L239-A242 PolarHBondContact O-N 3.39Å; A240-A242 VanDerWaalsContact C-N 3.33Å; A240-A242 PolarHBondContact O-N 2.91Å |
| 243 | M | 73.4 | Confident | 75.6 | Confident | 137 Ų | 137 | 102.6 Ų | 102.6 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -77.2 | -32.1 | 177.3 | -68.3 | -59.3 | -58.8 | 0 | 0 | 113.4 | L239 A240 F241 | L239-M243 WeakPolarHBondContact O-CB 3.36Å; L239-M243 VanDerWaalsContact O-CG 3.3Å; L239-M243 WeakPolarHBondContact O-CG 3.45Å; L239-M243 PolarHBondContact O-N 2.99Å; A240-M243 PolarHBondContact O-N 3.26Å; A240-M243 VanDerWaalsContact O-N 3.16Å; F241-M243 VanDerWaalsContact C-N 3.33Å |
| 244 | Y | 73 | Confident | 75.1 | Confident | 178 Ų | 178 | 107.2 Ų | 107.2 | 70% | 0.698 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -85 | -7.9 | 178.3 | -84 | -74.8 | 0 | 0 | 0 | 113.3 | L200 A240 F241 P246 | L200-Y244 HydrophobicContact CD2-CD2 4.34Å; L200-Y244 HydrophobicContact CD2-CE2 3.61Å; A240-Y244 HydrophobicContact CB-CD2 4.32Å; A240-Y244 WeakPolarHBondContact O-CB 3.46Å; A240-Y244 WeakPolarHBondContact O-CD2 3.47Å; A240-Y244 PolarHBondContact O-N 3.3Å; F241-Y244 PolarHBondContact O-N 3.42Å; Y244-P246 VanDerWaalsContact O-CD 3.31Å; Y244-P246 WeakPolarHBondContact O-CD 3.42Å |
| 245 | R | 73.5 | Confident | 74.6 | Confident | 179 Ų | 179 | 106.6 Ų | 106.6 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | trans | -85.2 | 111.5 | 173 | -169.7 | 179.2 | -179.7 | 146.6 | 2.2 | 108.7 | F241 | F241-R245 WeakPolarHBondContact O-CB 3.28Å; F241-R245 PolarHBondContact O-N 3.17Å | ||
| 246 | P | 48.5 | Very low | 74.4 | Confident | 189 Ų | 189 | 106.4 Ų | 106.4 | 100% | 1.227 | 55% | 0.553 | S | S | * | * | trans | -69 | 0 | 179 | 31.5 | -36.4 | 0 | 0 | 0 | 112.7 | Y244 | Y244-P246 VanDerWaalsContact O-CD 3.31Å; Y244-P246 WeakPolarHBondContact O-CD 3.42Å |
Retrieved 246 of 246 residues in 38.7 ms
(Link to these results)