| 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 | 63.9 | Low | 67.5 | Low | 241 Ų | 241 | 125.7 Ų | 125.7 | 100% | 1.187 | 67% | 0.673 | S | S | * | * | 0 | 34.4 | 0 | -68.9 | -175.6 | 179.6 | 0 | 0 | 113.2 | |||||
| 2 | A | 68.1 | Low | 68.5 | Low | 83 Ų | 83 | 119.8 Ų | 119.8 | 69% | 0.686 | 65% | 0.649 | S | S | * | * | trans | -104.6 | -9.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | R4 | A2-R4 PolarHBondContact O-N 3.29Š| ||
| 3 | G | 65 | Low | 69.7 | Low | 66 Ų | 66 | 124.6 Ų | 124.6 | 68% | 0.68 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -4.1 | -173 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 4 | R | 63.9 | Low | 70.9 | Confident | 221 Ų | 221 | 119.7 Ų | 119.7 | 83% | 0.834 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -25.6 | -172.1 | -60.5 | -179.3 | 92.9 | 177.8 | 5 | 113.4 | A2 | A2-R4 PolarHBondContact O-N 3.29Š|
| 5 | T | 62.8 | Low | 71.9 | Confident | 102 Ų | 102 | 118.8 Ų | 118.8 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80.5 | -43.6 | -170.2 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | R7 A8 E9 | T5-R7 VanDerWaalsContact C-N 3.25Å; T5-R7 PolarHBondContact O-N 3.5Å; T5-A8 WeakPolarHBondContact O-CB 3.48Å; T5-A8 PolarHBondContact O-N 3.33Å; T5-E9 PolarHBondContact O-N 3.07Å; T5-E9 VanDerWaalsContact O-N 3.14Å |
| 6 | V | 65.4 | Low | 73.1 | Confident | 102 Ų | 102 | 116.3 Ų | 116.3 | 62% | 0.618 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.4 | -37.5 | -178.1 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | A8 T10 | V6-A8 VanDerWaalsContact C-N 3.35Å; V6-T10 PolarHBondContact O-N 3.37Å; V6-T10 PolarHBondContact O-OG1 2.71Å; V6-T10 VanDerWaalsContact O-OG1 3.08Å |
| 7 | R | 64.7 | Low | 74.2 | Confident | 164 Ų | 164 | 113.5 Ų | 113.5 | 62% | 0.619 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.6 | -33.6 | 176.8 | -172.6 | 176 | 179.6 | 91.3 | -2.7 | 112.4 | T5 R11 | T5-R7 VanDerWaalsContact C-N 3.25Å; T5-R7 PolarHBondContact O-N 3.5Å; R7-R11 VanDerWaalsContact O-CG 3.31Å; R7-R11 WeakPolarHBondContact O-CG 3.5Å; R7-R11 PolarHBondContact O-N 3.31Å |
| 8 | A | 70.7 | Confident | 75.3 | Confident | 59 Ų | 59 | 112.8 Ų | 112.8 | 49% | 0.488 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.9 | -43.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T5 V6 R11 S12 | T5-A8 WeakPolarHBondContact O-CB 3.48Å; T5-A8 PolarHBondContact O-N 3.33Å; V6-A8 VanDerWaalsContact C-N 3.35Å; A8-R11 PolarHBondContact O-N 3.43Å; A8-S12 PolarHBondContact O-N 3.31Å; A8-S12 VanDerWaalsContact O-N 3.07Å |
| 9 | E | 70.7 | Confident | 76.2 | Confident | 152 Ų | 152 | 113 Ų | 113 | 71% | 0.71 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.6 | -40.2 | -179.6 | -171.1 | 176.2 | 91.8 | 0 | 0 | 112.9 | T5 R11 S12 R13 | T5-E9 PolarHBondContact O-N 3.07Å; T5-E9 VanDerWaalsContact O-N 3.14Å; E9-R11 VanDerWaalsContact C-N 3.3Å; E9-R11 PolarHBondContact O-N 3.37Å; E9-S12 PolarHBondContact O-N 3.22Å; E9-S12 PolarHBondContact O-OG 3.39Å; E9-R13 PolarHBondContact O-N 3.13Å |
| 10 | T | 75.2 | Confident | 77.1 | Confident | 98 Ų | 98 | 113.4 Ų | 113.4 | 60% | 0.601 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.1 | -37.6 | 177.3 | -53 | 0 | 0 | 0 | 0 | 111.3 | V6 A14 | V6-T10 PolarHBondContact O-N 3.37Å; V6-T10 PolarHBondContact O-OG1 2.71Å; V6-T10 VanDerWaalsContact O-OG1 3.08Å; T10-A14 PolarHBondContact O-N 3.19Å |
| 11 | R | 71.7 | Confident | 78 | Confident | 95 Ų | 95 | 111.8 Ų | 111.8 | 36% | 0.358 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69 | -39.2 | 179.1 | -78.8 | 177.5 | 157.9 | -157.9 | -8.2 | 112.4 | R7 A8 E9 K15 N96 | R7-R11 VanDerWaalsContact O-CG 3.31Å; R7-R11 WeakPolarHBondContact O-CG 3.5Å; R7-R11 PolarHBondContact O-N 3.31Å; A8-R11 PolarHBondContact O-N 3.43Å; E9-R11 VanDerWaalsContact C-N 3.3Å; E9-R11 PolarHBondContact O-N 3.37Å; R11-K15 WeakPolarHBondContact O-CG 3.19Å; R11-K15 PolarHBondContact O-N 3.22Å; R11-N96 PolarHBondContact NH1-OD1 2.66Å; R11-N96 PolarHBondContact NH2-OD1 3.07Å |
| 12 | S | 80.1 | Confident | 79.5 | Confident | 54 Ų | 54 | 105.8 Ų | 105.8 | 38% | 0.378 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.8 | -44.3 | 178 | 57.2 | 0 | 0 | 0 | 0 | 111 | A8 E9 A14 K15 D16 | A8-S12 PolarHBondContact O-N 3.31Å; A8-S12 VanDerWaalsContact O-N 3.07Å; E9-S12 PolarHBondContact O-N 3.22Å; E9-S12 PolarHBondContact O-OG 3.39Å; S12-A14 PolarHBondContact O-N 2.82Å; S12-K15 PolarHBondContact O-N 2.86Å; S12-K15 VanDerWaalsContact O-N 3.12Å; S12-D16 PolarHBondContact O-N 3.43Å |
| 13 | R | 84.2 | Confident | 80.6 | Confident | 183 Ų | 183 | 103.8 Ų | 103.8 | 69% | 0.691 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -56.8 | -47.3 | -179.6 | -170.9 | 172.2 | -176.8 | 169.5 | 1.6 | 113.2 | E9 K15 D16 D17 | E9-R13 PolarHBondContact O-N 3.13Å; R13-K15 PolarHBondContact O-N 3.41Å; R13-D16 PolarHBondContact O-N 3.47Å; R13-D17 PolarHBondContact O-N 3.45Å |
| 14 | A | 86.7 | Confident | 81.9 | Confident | 56 Ų | 56 | 104.4 Ų | 104.4 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T10 S12 D17 I18 | T10-A14 PolarHBondContact O-N 3.19Å; S12-A14 PolarHBondContact O-N 2.82Å; A14-D17 PolarHBondContact O-N 2.9Å; A14-I18 WeakPolarHBondContact O-CG1 3.36Å; A14-I18 PolarHBondContact O-N 3.34Å; A14-I18 VanDerWaalsContact O-N 3.16Å |
| 15 | K | 85.6 | Confident | 83.4 | Confident | 106 Ų | 106 | 97.6 Ų | 97.6 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.7 | -68.2 | 174.7 | 98.2 | -179 | 0 | 111.4 | R11 S12 R13 I18 K19 E95 | R11-K15 WeakPolarHBondContact O-CG 3.19Å; R11-K15 PolarHBondContact O-N 3.22Å; S12-K15 PolarHBondContact O-N 2.86Å; S12-K15 VanDerWaalsContact O-N 3.12Å; R13-K15 PolarHBondContact O-N 3.41Å; K15-I18 PolarHBondContact O-N 3.37Å; K15-K19 WeakPolarHBondContact O-CG 3.03Å; K15-K19 PolarHBondContact O-N 3.45Å; K15-E95 IonicContact NZ-OE1 3.38Å |
| 16 | D | 91 | Very high | 84.7 | Confident | 78 Ų | 78 | 97.8 Ų | 97.8 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 176.4 | -81.5 | -67.4 | 0 | 0 | 0 | 112.2 | S12 R13 I18 K19 K20 | S12-D16 PolarHBondContact O-N 3.43Å; R13-D16 PolarHBondContact O-N 3.47Å; D16-I18 PolarHBondContact O-N 2.94Å; D16-K19 PolarHBondContact O-N 3.11Å; D16-K20 VanDerWaalsContact O-CG 3.29Å; D16-K20 WeakPolarHBondContact O-CG 3.38Å; D16-K20 PolarHBondContact O-N 3.48Å |
| 17 | D | 92.3 | Very high | 85.9 | Confident | 69 Ų | 69 | 96.8 Ų | 96.8 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 177 | -74 | -34.4 | 0 | 0 | 0 | 111.8 | R13 A14 K20 V21 | R13-D17 PolarHBondContact O-N 3.45Å; A14-D17 PolarHBondContact O-N 2.9Å; D17-K20 PolarHBondContact O-N 2.79Å; D17-K20 IonicContact OD1-NZ 2.96Å; D17-K20 PolarHBondContact OD1-NZ 3.41Å; D17-V21 WeakPolarHBondContact O-CG2 3.36Å; D17-V21 PolarHBondContact O-N 3.38Å |
| 18 | I | 92.5 | Very high | 87.3 | Confident | 102 Ų | 102 | 93 Ų | 93 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 172.1 | -65.9 | 163.8 | 0 | 0 | 0 | 110.8 | A14 K15 D16 K20 V21 M22 | A14-I18 WeakPolarHBondContact O-CG1 3.36Å; A14-I18 PolarHBondContact O-N 3.34Å; A14-I18 VanDerWaalsContact O-N 3.16Å; K15-I18 PolarHBondContact O-N 3.37Å; D16-I18 PolarHBondContact O-N 2.94Å; I18-K20 VanDerWaalsContact C-N 3.31Å; I18-K20 PolarHBondContact O-N 2.83Å; I18-V21 PolarHBondContact O-N 3.3Å; I18-M22 HydrophobicContact CG2-CE 4.48Å; I18-M22 HydrophobicContact CG2-CG 4.42Å; I18-M22 WeakPolarHBondContact O-CG 3.34Å; I18-M22 PolarHBondContact O-N 3.5Å |
| 19 | K | 93.2 | Very high | 88.4 | Confident | 116 Ų | 116 | 100 Ų | 100 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 177.1 | -74.9 | -177.8 | 178.1 | -171.2 | 0 | 111.8 | K15 D16 M22 A23 E67 | K15-K19 WeakPolarHBondContact O-CG 3.03Å; K15-K19 PolarHBondContact O-N 3.45Å; D16-K19 PolarHBondContact O-N 3.11Å; K19-M22 PolarHBondContact O-N 3.2Å; K19-A23 WeakPolarHBondContact O-CB 3.41Å; K19-A23 PolarHBondContact O-N 2.99Å; K19-E67 IonicContact NZ-OE1 2.79Å; K19-E67 PolarHBondContact NZ-OE1 3.36Å |
| 20 | K | 94 | Very high | 89.4 | Confident | 120 Ų | 120 | 95.6 Ų | 95.6 | 52% | 0.522 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.7 | -72 | 172.3 | -159.9 | 159.4 | 0 | 111.9 | D16 D17 I18 A23 T24 | D16-K20 VanDerWaalsContact O-CG 3.29Å; D16-K20 WeakPolarHBondContact O-CG 3.38Å; D16-K20 PolarHBondContact O-N 3.48Å; D17-K20 PolarHBondContact O-N 2.79Å; D17-K20 IonicContact OD1-NZ 2.96Å; D17-K20 PolarHBondContact OD1-NZ 3.41Å; I18-K20 VanDerWaalsContact C-N 3.31Å; I18-K20 PolarHBondContact O-N 2.83Å; K20-A23 PolarHBondContact O-N 3.45Å; K20-T24 WeakPolarHBondContact O-CB 3.48Å; K20-T24 PolarHBondContact O-N 2.75Å; K20-T24 PolarHBondContact O-OG1 2.74Å |
| 21 | V | 96.3 | Very high | 90.3 | Very high | 80 Ų | 80 | 95.9 Ų | 95.9 | 49% | 0.485 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 176.6 | 170.2 | 0 | 0 | 0 | 0 | 110.1 | D17 I18 A23 T24 I25 | D17-V21 WeakPolarHBondContact O-CG2 3.36Å; D17-V21 PolarHBondContact O-N 3.38Å; I18-V21 PolarHBondContact O-N 3.3Å; V21-A23 PolarHBondContact O-N 2.9Å; V21-T24 PolarHBondContact O-N 3.19Å; V21-T24 VanDerWaalsContact O-N 3.09Å; V21-I25 HydrophobicContact CG1-CD1 3.7Å; V21-I25 HydrophobicContact CG1-CG1 4.31Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.35Å; V21-I25 PolarHBondContact O-N 3.12Å |
| 22 | M | 94.2 | Very high | 91.4 | Very high | 116 Ų | 116 | 94.5 Ų | 94.5 | 57% | 0.571 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.2 | -45.9 | 177.8 | -66.4 | -61 | 160.3 | 0 | 0 | 111.9 | I18 K19 T24 I25 E26 | I18-M22 HydrophobicContact CG2-CE 4.48Å; I18-M22 HydrophobicContact CG2-CG 4.42Å; I18-M22 WeakPolarHBondContact O-CG 3.34Å; I18-M22 PolarHBondContact O-N 3.5Å; K19-M22 PolarHBondContact O-N 3.2Å; M22-T24 VanDerWaalsContact C-N 3.28Å; M22-T24 PolarHBondContact O-N 3.22Å; M22-I25 PolarHBondContact O-N 3.03Å; M22-I25 HydrophobicContact SD-CD1 4.48Å; M22-E26 WeakPolarHBondContact O-CB 3.32Å; M22-E26 PolarHBondContact O-N 3.04Å |
| 23 | A | 92.3 | Very high | 92.2 | Very high | 40 Ų | 40 | 97.5 Ų | 97.5 | 33% | 0.331 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -34.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K19 K20 V21 K27 | K19-A23 WeakPolarHBondContact O-CB 3.41Å; K19-A23 PolarHBondContact O-N 2.99Å; K20-A23 PolarHBondContact O-N 3.45Å; V21-A23 PolarHBondContact O-N 2.9Å; A23-K27 VanDerWaalsContact O-CG 3.26Å; A23-K27 WeakPolarHBondContact O-CG 3.48Å; A23-K27 PolarHBondContact O-N 2.85Å; A23-K27 VanDerWaalsContact O-N 3.08Å |
| 24 | T | 93.1 | Very high | 92.7 | Very high | 79 Ų | 79 | 95.1 Ų | 95.1 | 49% | 0.485 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.8 | -43.8 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | K20 V21 M22 E26 K27 V28 | K20-T24 WeakPolarHBondContact O-CB 3.48Å; K20-T24 PolarHBondContact O-N 2.75Å; K20-T24 PolarHBondContact O-OG1 2.74Å; V21-T24 PolarHBondContact O-N 3.19Å; V21-T24 VanDerWaalsContact O-N 3.09Å; M22-T24 VanDerWaalsContact C-N 3.28Å; M22-T24 PolarHBondContact O-N 3.22Å; T24-E26 VanDerWaalsContact C-N 3.3Å; T24-E26 PolarHBondContact O-N 3.38Å; T24-K27 WeakPolarHBondContact O-CB 3.12Å; T24-K27 PolarHBondContact O-N 3.36Å; T24-V28 WeakPolarHBondContact O-CG2 3.3Å; T24-V28 PolarHBondContact O-N 2.91Å |
| 25 | I | 93.7 | Very high | 93.2 | Very high | 79 Ų | 79 | 98.4 Ų | 98.4 | 41% | 0.405 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 173.9 | -69.2 | 167.9 | 0 | 0 | 0 | 109.5 | V21 M22 K27 V28 R29 | V21-I25 HydrophobicContact CG1-CD1 3.7Å; V21-I25 HydrophobicContact CG1-CG1 4.31Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.35Å; V21-I25 PolarHBondContact O-N 3.12Å; M22-I25 PolarHBondContact O-N 3.03Å; M22-I25 HydrophobicContact SD-CD1 4.48Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 3.09Å; I25-V28 PolarHBondContact O-N 2.89Å; I25-V28 VanDerWaalsContact O-N 3.12Å; I25-R29 HydrophobicContact CG2-CG 4.21Å; I25-R29 VanDerWaalsContact O-CG 3.3Å; I25-R29 WeakPolarHBondContact O-CG 3.38Å; I25-R29 PolarHBondContact O-N 3.42Å |
| 26 | E | 91.5 | Very high | 93.6 | Very high | 105 Ų | 105 | 95.9 Ų | 95.9 | 49% | 0.491 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | -179.7 | -151.4 | -165.2 | -168.1 | 0 | 0 | 111.4 | M22 T24 R29 R30 | M22-E26 WeakPolarHBondContact O-CB 3.32Å; M22-E26 PolarHBondContact O-N 3.04Å; T24-E26 VanDerWaalsContact C-N 3.3Å; T24-E26 PolarHBondContact O-N 3.38Å; E26-R29 PolarHBondContact O-N 3.36Å; E26-R30 VanDerWaalsContact CB-NH1 3.29Å; E26-R30 VanDerWaalsContact CG-CZ 3.45Å; E26-R30 WeakPolarHBondContact O-CD 3.39Å; E26-R30 WeakPolarHBondContact O-CG 3.47Å; E26-R30 PolarHBondContact O-N 3.08Å; E26-R30 PolarHBondContact O-NH1 3.23Å; E26-R30 IonicContact OE1-CZ 3.32Å; E26-R30 IonicContact OE1-NH1 3.17Å; E26-R30 IonicContact OE1-NH2 3.3Å; E26-R30 PolarHBondContact OE1-NH2 3.3Å; E26-R30 IonicContact OE2-CZ 3.99Å; E26-R30 IonicContact OE2-NH1 3.93Å; E26-R30 PolarHBondContact OE2-NH1 3.4Å; E26-R30 IonicContact OE2-NH2 3.43Å; E26-R30 PolarHBondContact OE2-NH2 3.33Å |
| 27 | K | 90.5 | Very high | 93.8 | Very high | 81 Ų | 81 | 95.8 Ų | 95.8 | 35% | 0.352 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 172.2 | -71.9 | 169.7 | -164.7 | -175.7 | 0 | 112.5 | A23 T24 I25 R29 R30 W31 | A23-K27 VanDerWaalsContact O-CG 3.26Å; A23-K27 WeakPolarHBondContact O-CG 3.48Å; A23-K27 PolarHBondContact O-N 2.85Å; A23-K27 VanDerWaalsContact O-N 3.08Å; T24-K27 WeakPolarHBondContact O-CB 3.12Å; T24-K27 PolarHBondContact O-N 3.36Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 3.09Å; K27-R29 VanDerWaalsContact C-N 3.34Å; K27-R29 PolarHBondContact O-N 3.24Å; K27-R30 PolarHBondContact O-N 3.39Å; K27-W31 PolarHBondContact O-NE1 2.9Å |
| 28 | V | 94.1 | Very high | 93.9 | Very high | 85 Ų | 85 | 95.2 Ų | 95.2 | 52% | 0.515 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.8 | -36.3 | -179.2 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | T24 I25 R30 W31 | T24-V28 WeakPolarHBondContact O-CG2 3.3Å; T24-V28 PolarHBondContact O-N 2.91Å; I25-V28 PolarHBondContact O-N 2.89Å; I25-V28 VanDerWaalsContact O-N 3.12Å; V28-R30 PolarHBondContact O-N 3.36Å; V28-W31 WeakPolarHBondContact O-CB 3.16Å; V28-W31 PolarHBondContact O-N 2.95Å |
| 29 | R | 92.6 | Very high | 93.7 | Very high | 207 Ų | 207 | 93.3 Ų | 93.3 | 78% | 0.781 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.1 | -23.9 | 177.1 | -72.1 | 178.6 | 84.1 | 100.9 | 3 | 113.7 | I25 E26 K27 W31 | I25-R29 HydrophobicContact CG2-CG 4.21Å; I25-R29 VanDerWaalsContact O-CG 3.3Å; I25-R29 WeakPolarHBondContact O-CG 3.38Å; I25-R29 PolarHBondContact O-N 3.42Å; E26-R29 PolarHBondContact O-N 3.36Å; K27-R29 VanDerWaalsContact C-N 3.34Å; K27-R29 PolarHBondContact O-N 3.24Å; R29-W31 VanDerWaalsContact C-N 3.31Å |
| 30 | R | 92.4 | Very high | 93.6 | Very high | 59 Ų | 59 | 96.3 Ų | 96.3 | 22% | 0.223 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.2 | 177.3 | -65.5 | 150 | 168.8 | 134.6 | 0.3 | 112.8 | E26 K27 V28 E32 V51 D53 E56 | E26-R30 VanDerWaalsContact CB-NH1 3.29Å; E26-R30 VanDerWaalsContact CG-CZ 3.45Å; E26-R30 WeakPolarHBondContact O-CD 3.39Å; E26-R30 WeakPolarHBondContact O-CG 3.47Å; E26-R30 PolarHBondContact O-N 3.08Å; E26-R30 PolarHBondContact O-NH1 3.23Å; E26-R30 IonicContact OE1-CZ 3.32Å; E26-R30 IonicContact OE1-NH1 3.17Å; E26-R30 IonicContact OE1-NH2 3.3Å; E26-R30 PolarHBondContact OE1-NH2 3.3Å; E26-R30 IonicContact OE2-CZ 3.99Å; E26-R30 IonicContact OE2-NH1 3.93Å; E26-R30 PolarHBondContact OE2-NH1 3.4Å; E26-R30 IonicContact OE2-NH2 3.43Å; E26-R30 PolarHBondContact OE2-NH2 3.33Å; K27-R30 PolarHBondContact O-N 3.39Å; V28-R30 PolarHBondContact O-N 3.36Å; R30-E32 PolarHBondContact O-N 3Å; R30-V51 WeakPolarHBondContact O-CB 3.41Å; R30-V51 WeakPolarHBondContact O-CG2 3.38Å; R30-D53 IonicContact NE-OD2 3.93Å; R30-E56 IonicContact CZ-OE2 2.66Å; R30-E56 IonicContact NE-OE2 3.75Å; R30-E56 IonicContact NH1-OE2 3.31Å; R30-E56 PolarHBondContact NH1-OE2 3.45Å; R30-E56 IonicContact NH2-OE2 3.07Å |
| 31 | W | 95.4 | Very high | 93.5 | Very high | 103 Ų | 103 | 94.3 Ų | 94.3 | 39% | 0.39 | 48% | 0.478 | S | S | . | . | trans | -65.1 | 138 | -177.8 | -71.2 | 28.9 | 0 | 0 | 0 | 110.1 | K27 V28 R29 W48 V49 P50 | K27-W31 PolarHBondContact O-NE1 2.9Å; V28-W31 WeakPolarHBondContact O-CB 3.16Å; V28-W31 PolarHBondContact O-N 2.95Å; R29-W31 VanDerWaalsContact C-N 3.31Å; W31-W48 HydrophobicContact CB-CB 4.42Å; W31-W48 HydrophobicContact CB-CE3 4.22Å; W31-W48 HydrophobicContact CE3-CB 3.69Å; W31-W48 HydrophobicContact CZ3-CB 4.43Å; W31-W48 WeakPolarHBondContact O-CZ3 3.29Å; W31-V49 WeakPolarHBondContact CA-O 3.31Å; W31-P50 HydrophobicContact CD2-CB 4.49Å; W31-P50 HydrophobicContact CD2-CG 4.27Å; W31-P50 HydrophobicContact CH2-CG 4.16Å; W31-P50 HydrophobicContact CZ2-CB 4.36Å; W31-P50 HydrophobicContact CZ2-CG 3.76Å | ||
| 32 | E | 94.6 | Very high | 93.2 | Very high | 67 Ų | 67 | 96.4 Ų | 96.4 | 31% | 0.313 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 144.6 | -179.9 | 67.5 | -179.8 | -176.4 | 0 | 0 | 110.6 | R30 R34 W48 V49 V51 | R30-E32 PolarHBondContact O-N 3Å; E32-R34 VanDerWaalsContact CD-NH2 3.34Å; E32-R34 HydrophobicContact CG-CG 3.73Å; E32-R34 PolarHBondContact O-N 2.66Å; E32-R34 IonicContact OE1-CZ 3.38Å; E32-R34 IonicContact OE1-NE 2.74Å; E32-R34 PolarHBondContact OE1-NE 3Å; E32-R34 IonicContact OE1-NH2 3.19Å; E32-R34 PolarHBondContact OE1-NH2 3.2Å; E32-R34 IonicContact OE2-CZ 3.39Å; E32-R34 IonicContact OE2-NE 3.22Å; E32-R34 PolarHBondContact OE2-NE 3.38Å; E32-R34 IonicContact OE2-NH2 2.75Å; E32-R34 PolarHBondContact OE2-NH2 2.89Å; E32-W48 CarbonylContact O-C 3.54Å; E32-W48 WeakPolarHBondContact O-CA 3.37Å; E32-V49 PolarHBondContact N-O 3.3Å; E32-V49 PolarHBondContact O-N 2.76Å; E32-V51 HydrophobicContact CB-CG2 3.57Å; E32-V51 HydrophobicContact CG-CG2 3.18Å |
| 33 | K | 96.5 | Very high | 93.2 | Very high | 116 Ų | 116 | 96 Ų | 96 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 109.1 | 177.1 | -176.8 | 173.9 | 176.5 | 177.9 | 0 | 108.9 | F46 W48 | K33-F46 HydrophobicContact CD-CB 4.28Å; K33-F46 HydrophobicContact CD-CD1 4.01Å; K33-F46 HydrophobicContact CD-CE1 4.38Å; K33-F46 HydrophobicContact CD-CG 4.13Å; K33-F46 VanDerWaalsContact CE-CD2 3.43Å; K33-F46 HydrophobicContact CG-CB 3.95Å; K33-F46 HydrophobicContact CG-CD1 3.43Å; K33-F46 VanDerWaalsContact CG-CD1 3.43Å; K33-F46 HydrophobicContact CG-CE1 4Å; K33-F46 HydrophobicContact CG-CG 3.9Å; K33-W48 HydrophobicContact CB-CD2 4.21Å; K33-W48 HydrophobicContact CB-CE3 4.01Å; K33-W48 HydrophobicContact CB-CH2 4.06Å; K33-W48 HydrophobicContact CB-CZ2 4.26Å; K33-W48 HydrophobicContact CB-CZ3 3.94Å; K33-W48 HydrophobicContact CD-CZ2 4.44Å |
| 34 | R | 95.1 | Very high | 93.3 | Very high | 134 Ų | 134 | 100.5 Ų | 100.5 | 51% | 0.506 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 147.6 | -179.4 | -71.4 | -82.1 | -174.4 | -174.3 | -7.2 | 111.5 | E32 V36 F46 K47 V49 | E32-R34 VanDerWaalsContact CD-NH2 3.34Å; E32-R34 HydrophobicContact CG-CG 3.73Å; E32-R34 PolarHBondContact O-N 2.66Å; E32-R34 IonicContact OE1-CZ 3.38Å; E32-R34 IonicContact OE1-NE 2.74Å; E32-R34 PolarHBondContact OE1-NE 3Å; E32-R34 IonicContact OE1-NH2 3.19Å; E32-R34 PolarHBondContact OE1-NH2 3.2Å; E32-R34 IonicContact OE2-CZ 3.39Å; E32-R34 IonicContact OE2-NE 3.22Å; E32-R34 PolarHBondContact OE2-NE 3.38Å; E32-R34 IonicContact OE2-NH2 2.75Å; E32-R34 PolarHBondContact OE2-NH2 2.89Å; R34-V36 PolarHBondContact O-N 2.79Å; R34-F46 WeakPolarHBondContact O-CA 3.37Å; R34-K47 PolarHBondContact N-O 3.07Å; R34-K47 PolarHBondContact O-N 3.26Å; R34-V49 HydrophobicContact CB-CG2 4.01Å |
| 35 | W | 95.9 | Very high | 93.5 | Very high | 124 Ų | 124 | 100.7 Ų | 100.7 | 47% | 0.47 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 112.4 | 169.8 | -74.5 | 114.4 | 0 | 0 | 0 | 110 | R44 I45 F46 | W35-R44 HydrophobicContact CB-CB 4.27Å; W35-R44 VanDerWaalsContact CB-NH2 3.3Å; W35-R44 HydrophobicContact CD2-CB 4.44Å; W35-R44 HydrophobicContact CE3-CB 3.85Å; W35-R44 WeakPolarHBondContact CZ3-O 3.38Å; W35-R44 PolarHBondContact O-NH2 3.48Å; W35-I45 CarbonylContact C-O 3.6Å; W35-I45 WeakPolarHBondContact CA-O 3.44Å; W35-I45 VanDerWaalsContact CE3-C 3.44Å; W35-F46 AromaticContact CD1-CE1 3.59Å; W35-F46 AromaticContact CD1-CZ 3.91Å; W35-F46 AromaticContact CD2-CD1 3.82Å; W35-F46 HydrophobicContact CD2-CD1 3.82Å; W35-F46 HydrophobicContact CD2-CD2 4.07Å; W35-F46 AromaticContact CD2-CE1 3.76Å; W35-F46 HydrophobicContact CD2-CE1 3.76Å; W35-F46 HydrophobicContact CD2-CE2 4.01Å; W35-F46 HydrophobicContact CD2-CG 4.02Å; W35-F46 AromaticContact CD2-CZ 3.87Å; W35-F46 HydrophobicContact CD2-CZ 3.87Å; W35-F46 AromaticContact CE2-CD1 3.97Å; W35-F46 AromaticContact CE2-CD2 3.81Å; W35-F46 AromaticContact CE2-CE1 3.47Å; W35-F46 VanDerWaalsContact CE2-CE1 3.47Å; W35-F46 AromaticContact CE2-CE2 3.29Å; W35-F46 AromaticContact CE2-CZ 3.11Å; W35-F46 HydrophobicContact CE3-CD1 4.23Å; W35-F46 AromaticContact CE3-CD2 3.99Å; W35-F46 HydrophobicContact CE3-CD2 3.99Å; W35-F46 HydrophobicContact CE3-CE2 4.31Å; W35-F46 AromaticContact CE3-CG 3.99Å; W35-F46 HydrophobicContact CE3-CG 3.99Å; W35-F46 HydrophobicContact CG-CD1 4.06Å; W35-F46 AromaticContact CG-CE1 3.88Å; W35-F46 HydrophobicContact CG-CE1 3.88Å; W35-F46 HydrophobicContact CG-CZ 4.34Å; W35-F46 AromaticContact CH2-CD2 3.44Å; W35-F46 HydrophobicContact CH2-CD2 3.44Å; W35-F46 VanDerWaalsContact CH2-CD2 3.44Å; W35-F46 AromaticContact CH2-CE2 3.35Å; W35-F46 HydrophobicContact CH2-CE2 3.35Å; W35-F46 HydrophobicContact CH2-CG 4.27Å; W35-F46 HydrophobicContact CH2-CZ 4.11Å; W35-F46 AromaticContact CZ2-CD2 3.54Å; W35-F46 HydrophobicContact CZ2-CD2 3.54Å; W35-F46 HydrophobicContact CZ2-CE1 4.08Å; W35-F46 AromaticContact CZ2-CE2 2.95Å; W35-F46 HydrophobicContact CZ2-CE2 2.95Å; W35-F46 HydrophobicContact CZ2-CG 4.32Å; W35-F46 AromaticContact CZ2-CZ 3.3Å; W35-F46 HydrophobicContact CZ2-CZ 3.3Å; W35-F46 AromaticContact CZ3-CD2 3.67Å; W35-F46 HydrophobicContact CZ3-CD2 3.67Å; W35-F46 HydrophobicContact CZ3-CE2 4.02Å; W35-F46 HydrophobicContact CZ3-CG 4.1Å; W35-F46 AromaticContact NE1-CE1 3.32Å; W35-F46 VanDerWaalsContact NE1-CE1 3.32Å; W35-F46 AromaticContact NE1-CE2 3.84Å; W35-F46 AromaticContact NE1-CZ 3.14Å |
| 36 | V | 94.2 | Very high | 93.6 | Very high | 54 Ų | 54 | 101.5 Ų | 101.5 | 33% | 0.327 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.1 | 176.9 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | R34 R44 I45 K47 V49 | R34-V36 PolarHBondContact O-N 2.79Å; V36-R44 CarbonylContact O-C 3.59Å; V36-R44 WeakPolarHBondContact O-CA 3.38Å; V36-I45 PolarHBondContact N-O 2.83Å; V36-I45 PolarHBondContact O-N 3.27Å; V36-K47 HydrophobicContact CB-CB 4.42Å; V36-K47 HydrophobicContact CG2-CB 3.9Å; V36-V49 HydrophobicContact CG2-CG2 4.1Å |
| 37 | T | 95.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 102.4 Ų | 102.4 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 137 | 176.8 | -52.3 | 0 | 0 | 0 | 0 | 110.6 | T41 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.22Å; T37-L43 CarbonylContact C-O 3.55Å; T37-L43 WeakPolarHBondContact CA-O 3.26Å |
| 38 | V | 93.8 | Very high | 94.1 | Very high | 58 Ų | 58 | 106 Ų | 106 | 35% | 0.352 | 52% | 0.515 | S | S | . | . | trans | -91.1 | 106.9 | -179.6 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | T41 L43 I45 | V38-T41 PolarHBondContact O-N 3.44Å; V38-T41 PolarHBondContact O-OG1 2.96Å; V38-L43 PolarHBondContact N-O 3.32Å; V38-I45 HydrophobicContact CG2-CB 4.02Å; V38-I45 HydrophobicContact CG2-CD1 3.68Å; V38-I45 HydrophobicContact CG2-CG1 3.53Å; V38-I45 HydrophobicContact CG2-CG2 3.48Å; V38-I45 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 39 | G | 89 | Confident | 94.1 | Very high | 62 Ų | 62 | 104.1 Ų | 104.1 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | -139.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | T41 | G39-T41 VanDerWaalsContact C-N 3.31Š|
| 40 | D | 91.3 | Very high | 94.2 | Very high | 178 Ų | 178 | 97.7 Ų | 97.7 | 95% | 0.952 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 13.7 | -179.9 | -53.6 | -38.4 | 0 | 0 | 0 | 113 | ||
| 41 | T | 91.2 | Very high | 94 | Very high | 79 Ų | 79 | 97.1 Ų | 97.1 | 49% | 0.485 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -88.9 | 167.1 | -179 | 71.5 | 0 | 0 | 0 | 0 | 112.2 | T37 V38 G39 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.22Å; V38-T41 PolarHBondContact O-N 3.44Å; V38-T41 PolarHBondContact O-OG1 2.96Å; G39-T41 VanDerWaalsContact C-N 3.31Å; T41-L43 PolarHBondContact O-N 2.93Å; T41-L43 WeakPolarHBondContact OG1-CB 3.38Å; T41-L43 PolarHBondContact OG1-N 2.93Å |
| 42 | S | 90.6 | Very high | 93.2 | Very high | 123 Ų | 123 | 95.2 Ų | 95.2 | 86% | 0.86 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -78.5 | -2.3 | 170.1 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 43 | L | 94.5 | Very high | 92.1 | Very high | 108 Ų | 108 | 95.7 Ų | 95.7 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | trans | -76.3 | 138.4 | -178.3 | -172.3 | 64.7 | 0 | 0 | 0 | 110.9 | T37 V38 T41 | T37-L43 CarbonylContact C-O 3.55Å; T37-L43 WeakPolarHBondContact CA-O 3.26Å; V38-L43 PolarHBondContact N-O 3.32Å; T41-L43 PolarHBondContact O-N 2.93Å; T41-L43 WeakPolarHBondContact OG1-CB 3.38Å; T41-L43 PolarHBondContact OG1-N 2.93Å | ||
| 44 | R | 95 | Very high | 90.7 | Very high | 135 Ų | 135 | 95.3 Ų | 95.3 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.4 | 175 | -59.4 | 173.1 | 72.7 | -168.2 | 4.2 | 109.4 | W35 V36 | W35-R44 HydrophobicContact CB-CB 4.27Å; W35-R44 VanDerWaalsContact CB-NH2 3.3Å; W35-R44 HydrophobicContact CD2-CB 4.44Å; W35-R44 HydrophobicContact CE3-CB 3.85Å; W35-R44 WeakPolarHBondContact CZ3-O 3.38Å; W35-R44 PolarHBondContact O-NH2 3.48Å; V36-R44 CarbonylContact O-C 3.59Å; V36-R44 WeakPolarHBondContact O-CA 3.38Å |
| 45 | I | 95.8 | Very high | 89.2 | Confident | 83 Ų | 83 | 94.7 Ų | 94.7 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 150.3 | 174.1 | 59.6 | 173.1 | 0 | 0 | 0 | 110.2 | W35 V36 V38 K47 | W35-I45 CarbonylContact C-O 3.6Å; W35-I45 WeakPolarHBondContact CA-O 3.44Å; W35-I45 VanDerWaalsContact CE3-C 3.44Å; V36-I45 PolarHBondContact N-O 2.83Å; V36-I45 PolarHBondContact O-N 3.27Å; V38-I45 HydrophobicContact CG2-CB 4.02Å; V38-I45 HydrophobicContact CG2-CD1 3.68Å; V38-I45 HydrophobicContact CG2-CG1 3.53Å; V38-I45 HydrophobicContact CG2-CG2 3.48Å; V38-I45 VanDerWaalsContact CG2-CG2 3.48Å; I45-K47 PolarHBondContact O-N 3.47Å |
| 46 | F | 96.4 | Very high | 87.7 | Confident | 95 Ų | 95 | 90.2 Ų | 90.2 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 124.1 | 169.6 | -80.8 | -66.1 | 0 | 0 | 0 | 110.8 | K33 R34 W35 | K33-F46 HydrophobicContact CD-CB 4.28Å; K33-F46 HydrophobicContact CD-CD1 4.01Å; K33-F46 HydrophobicContact CD-CE1 4.38Å; K33-F46 HydrophobicContact CD-CG 4.13Å; K33-F46 VanDerWaalsContact CE-CD2 3.43Å; K33-F46 HydrophobicContact CG-CB 3.95Å; K33-F46 HydrophobicContact CG-CD1 3.43Å; K33-F46 VanDerWaalsContact CG-CD1 3.43Å; K33-F46 HydrophobicContact CG-CE1 4Å; K33-F46 HydrophobicContact CG-CG 3.9Å; R34-F46 WeakPolarHBondContact O-CA 3.37Å; W35-F46 AromaticContact CD1-CE1 3.59Å; W35-F46 AromaticContact CD1-CZ 3.91Å; W35-F46 AromaticContact CD2-CD1 3.82Å; W35-F46 HydrophobicContact CD2-CD1 3.82Å; W35-F46 HydrophobicContact CD2-CD2 4.07Å; W35-F46 AromaticContact CD2-CE1 3.76Å; W35-F46 HydrophobicContact CD2-CE1 3.76Å; W35-F46 HydrophobicContact CD2-CE2 4.01Å; W35-F46 HydrophobicContact CD2-CG 4.02Å; W35-F46 AromaticContact CD2-CZ 3.87Å; W35-F46 HydrophobicContact CD2-CZ 3.87Å; W35-F46 AromaticContact CE2-CD1 3.97Å; W35-F46 AromaticContact CE2-CD2 3.81Å; W35-F46 AromaticContact CE2-CE1 3.47Å; W35-F46 VanDerWaalsContact CE2-CE1 3.47Å; W35-F46 AromaticContact CE2-CE2 3.29Å; W35-F46 AromaticContact CE2-CZ 3.11Å; W35-F46 HydrophobicContact CE3-CD1 4.23Å; W35-F46 AromaticContact CE3-CD2 3.99Å; W35-F46 HydrophobicContact CE3-CD2 3.99Å; W35-F46 HydrophobicContact CE3-CE2 4.31Å; W35-F46 AromaticContact CE3-CG 3.99Å; W35-F46 HydrophobicContact CE3-CG 3.99Å; W35-F46 HydrophobicContact CG-CD1 4.06Å; W35-F46 AromaticContact CG-CE1 3.88Å; W35-F46 HydrophobicContact CG-CE1 3.88Å; W35-F46 HydrophobicContact CG-CZ 4.34Å; W35-F46 AromaticContact CH2-CD2 3.44Å; W35-F46 HydrophobicContact CH2-CD2 3.44Å; W35-F46 VanDerWaalsContact CH2-CD2 3.44Å; W35-F46 AromaticContact CH2-CE2 3.35Å; W35-F46 HydrophobicContact CH2-CE2 3.35Å; W35-F46 HydrophobicContact CH2-CG 4.27Å; W35-F46 HydrophobicContact CH2-CZ 4.11Å; W35-F46 AromaticContact CZ2-CD2 3.54Å; W35-F46 HydrophobicContact CZ2-CD2 3.54Å; W35-F46 HydrophobicContact CZ2-CE1 4.08Å; W35-F46 AromaticContact CZ2-CE2 2.95Å; W35-F46 HydrophobicContact CZ2-CE2 2.95Å; W35-F46 HydrophobicContact CZ2-CG 4.32Å; W35-F46 AromaticContact CZ2-CZ 3.3Å; W35-F46 HydrophobicContact CZ2-CZ 3.3Å; W35-F46 AromaticContact CZ3-CD2 3.67Å; W35-F46 HydrophobicContact CZ3-CD2 3.67Å; W35-F46 HydrophobicContact CZ3-CE2 4.02Å; W35-F46 HydrophobicContact CZ3-CG 4.1Å; W35-F46 AromaticContact NE1-CE1 3.32Å; W35-F46 VanDerWaalsContact NE1-CE1 3.32Å; W35-F46 AromaticContact NE1-CE2 3.84Å; W35-F46 AromaticContact NE1-CZ 3.14Å |
| 47 | K | 95.9 | Very high | 86.3 | Confident | 125 Ų | 125 | 91.5 Ų | 91.5 | 54% | 0.543 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.6 | 172.6 | -172.3 | 172.7 | 179.7 | 177.5 | 0 | 108.9 | R34 V36 I45 V49 | R34-K47 PolarHBondContact N-O 3.07Å; R34-K47 PolarHBondContact O-N 3.26Å; V36-K47 HydrophobicContact CB-CB 4.42Å; V36-K47 HydrophobicContact CG2-CB 3.9Å; I45-K47 PolarHBondContact O-N 3.47Å; K47-V49 HydrophobicContact CB-CG2 4.5Å; K47-V49 PolarHBondContact O-N 3.12Å |
| 48 | W | 96.7 | Very high | 84.5 | Confident | 155 Ų | 155 | 94.4 Ų | 94.4 | 59% | 0.587 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 112.3 | 168.9 | -68.5 | 101.3 | 0 | 0 | 0 | 108.3 | W31 E32 K33 | W31-W48 HydrophobicContact CB-CB 4.42Å; W31-W48 HydrophobicContact CB-CE3 4.22Å; W31-W48 HydrophobicContact CE3-CB 3.69Å; W31-W48 HydrophobicContact CZ3-CB 4.43Å; W31-W48 WeakPolarHBondContact O-CZ3 3.29Å; E32-W48 CarbonylContact O-C 3.54Å; E32-W48 WeakPolarHBondContact O-CA 3.37Å; K33-W48 HydrophobicContact CB-CD2 4.21Å; K33-W48 HydrophobicContact CB-CE3 4.01Å; K33-W48 HydrophobicContact CB-CH2 4.06Å; K33-W48 HydrophobicContact CB-CZ2 4.26Å; K33-W48 HydrophobicContact CB-CZ3 3.94Å; K33-W48 HydrophobicContact CD-CZ2 4.44Å |
| 49 | V | 93.8 | Very high | 82.9 | Confident | 47 Ų | 47 | 99.3 Ų | 99.3 | 29% | 0.285 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.2 | -177.5 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | W31 E32 R34 V36 K47 V51 | W31-V49 WeakPolarHBondContact CA-O 3.31Å; E32-V49 PolarHBondContact N-O 3.3Å; E32-V49 PolarHBondContact O-N 2.76Å; R34-V49 HydrophobicContact CB-CG2 4.01Å; V36-V49 HydrophobicContact CG2-CG2 4.1Å; K47-V49 HydrophobicContact CB-CG2 4.5Å; K47-V49 PolarHBondContact O-N 3.12Å; V49-V51 PolarHBondContact O-N 3.29Å |
| 50 | P | 94.2 | Very high | 81.7 | Confident | 72 Ų | 72 | 102.6 Ų | 102.6 | 47% | 0.468 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 122.7 | 175.2 | -18.2 | 28.6 | 0 | 0 | 0 | 110.7 | W31 | W31-P50 HydrophobicContact CD2-CB 4.49Å; W31-P50 HydrophobicContact CD2-CG 4.27Å; W31-P50 HydrophobicContact CH2-CG 4.16Å; W31-P50 HydrophobicContact CZ2-CB 4.36Å; W31-P50 HydrophobicContact CZ2-CG 3.76Å |
| 51 | V | 89.3 | Confident | 80.2 | Confident | 47 Ų | 47 | 103.5 Ų | 103.5 | 29% | 0.285 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 118.5 | 166.7 | -170.3 | 0 | 0 | 0 | 0 | 107.3 | R30 E32 V49 | R30-V51 WeakPolarHBondContact O-CB 3.41Å; R30-V51 WeakPolarHBondContact O-CG2 3.38Å; E32-V51 HydrophobicContact CB-CG2 3.57Å; E32-V51 HydrophobicContact CG-CG2 3.18Å; V49-V51 PolarHBondContact O-N 3.29Å |
| 52 | V | 78.8 | Confident | 78.7 | Confident | 62 Ų | 62 | 103.6 Ų | 103.6 | 38% | 0.376 | 51% | 0.508 | S | S | . | . | trans | -98.3 | 114.8 | 169.9 | -175.2 | 0 | 0 | 0 | 0 | 106.5 | E57 | V52-E57 HydrophobicContact CG1-CB 3.95Š| ||
| 53 | D | 71.3 | Confident | 76.5 | Confident | 78 Ų | 78 | 99.8 Ų | 99.8 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | trans | -58.8 | 134.3 | 170.8 | -80.8 | -43.9 | 0 | 0 | 0 | 108.7 | R30 Q55 E56 E57 | R30-D53 IonicContact NE-OD2 3.93Å; D53-Q55 PolarHBondContact O-N 3.46Å; D53-E56 HydrophobicContact CB-CB 4.44Å; D53-E56 PolarHBondContact O-N 2.93Å; D53-E57 PolarHBondContact O-N 3.17Å | ||
| 54 | P | 67 | Low | 74.2 | Confident | 108 Ų | 108 | 97.9 Ų | 97.9 | 70% | 0.701 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.6 | -27.8 | 178.5 | 21.7 | -31.8 | 0 | 0 | 0 | 111.8 | E57 E58 | P54-E57 PolarHBondContact O-N 3Å; P54-E58 WeakPolarHBondContact O-CB 3.35Å; P54-E58 PolarHBondContact O-N 3.16Å |
| 55 | Q | 62.8 | Low | 71.8 | Confident | 120 Ų | 120 | 93.3 Ų | 93.3 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68 | -34.6 | 174 | -161.7 | -162.3 | 90 | 0 | 0 | 112.8 | D53 R59 | D53-Q55 PolarHBondContact O-N 3.46Å; Q55-R59 VanDerWaalsContact O-CG 3.26Å; Q55-R59 WeakPolarHBondContact O-CG 3.27Å; Q55-R59 PolarHBondContact O-N 3.34Å |
| 56 | E | 65.7 | Low | 69.4 | Low | 31 Ų | 31 | 93.6 Ų | 93.6 | 15% | 0.145 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -75.6 | -37.1 | 175.6 | -164.8 | -173.4 | 144.8 | 0 | 0 | 110.7 | R30 D53 E58 R59 R60 | R30-E56 IonicContact CZ-OE2 2.66Å; R30-E56 IonicContact NE-OE2 3.75Å; R30-E56 IonicContact NH1-OE2 3.31Å; R30-E56 PolarHBondContact NH1-OE2 3.45Å; R30-E56 IonicContact NH2-OE2 3.07Å; D53-E56 HydrophobicContact CB-CB 4.44Å; D53-E56 PolarHBondContact O-N 2.93Å; E56-E58 VanDerWaalsContact C-N 3.35Å; E56-R59 PolarHBondContact O-N 2.88Å; E56-R60 WeakPolarHBondContact O-CG 3.45Å; E56-R60 PolarHBondContact O-N 3.5Å; E56-R60 IonicContact OE1-CZ 3.58Å; E56-R60 VanDerWaalsContact OE1-CZ 3.3Å; E56-R60 IonicContact OE1-NE 3.41Å; E56-R60 PolarHBondContact OE1-NE 3.43Å; E56-R60 VanDerWaalsContact OE1-NE 3.17Å; E56-R60 IonicContact OE1-NH2 2.9Å; E56-R60 PolarHBondContact OE1-NH2 3.3Å |
| 57 | E | 63.7 | Low | 67.2 | Low | 80 Ų | 80 | 96.8 Ų | 96.8 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.7 | -174.2 | 157.9 | 123.2 | 0 | 0 | 111.8 | V52 D53 P54 R59 R60 R61 | V52-E57 HydrophobicContact CG1-CB 3.95Å; D53-E57 PolarHBondContact O-N 3.17Å; P54-E57 PolarHBondContact O-N 3Å; E57-R59 VanDerWaalsContact C-N 3.32Å; E57-R59 PolarHBondContact O-N 3.23Å; E57-R60 PolarHBondContact O-N 3.06Å; E57-R60 VanDerWaalsContact O-N 3.12Å; E57-R61 HydrophobicContact CG-CG 4.21Å; E57-R61 WeakPolarHBondContact O-CB 3.39Å; E57-R61 WeakPolarHBondContact O-CG 3.47Å; E57-R61 PolarHBondContact O-N 2.84Å; E57-R61 IonicContact OE1-CZ 3.75Å; E57-R61 VanDerWaalsContact OE1-CZ 3.31Å; E57-R61 IonicContact OE1-NE 2.93Å; E57-R61 PolarHBondContact OE1-NE 3.44Å; E57-R61 IonicContact OE1-NH2 2.93Å; E57-R61 PolarHBondContact OE1-NH2 3.05Å |
| 58 | E | 57.9 | Low | 65.1 | Low | 136 Ų | 136 | 100.8 Ų | 100.8 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.6 | -41.3 | 173.3 | -174 | 175.2 | -120.1 | 0 | 0 | 111.5 | P54 E56 R60 R61 A62 | P54-E58 WeakPolarHBondContact O-CB 3.35Å; P54-E58 PolarHBondContact O-N 3.16Å; E56-E58 VanDerWaalsContact C-N 3.35Å; E58-R60 VanDerWaalsContact C-N 3.27Å; E58-R60 PolarHBondContact O-N 2.94Å; E58-R61 PolarHBondContact O-N 3.34Å; E58-A62 WeakPolarHBondContact O-CB 3.47Å; E58-A62 PolarHBondContact O-N 2.85Å |
| 59 | R | 60.6 | Low | 62.7 | Low | 161 Ų | 161 | 97.6 Ų | 97.6 | 61% | 0.608 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.5 | -28.1 | 175.2 | -71.1 | 173.9 | -177.5 | -141.5 | 6.5 | 113.5 | Q55 E56 E57 | Q55-R59 VanDerWaalsContact O-CG 3.26Å; Q55-R59 WeakPolarHBondContact O-CG 3.27Å; Q55-R59 PolarHBondContact O-N 3.34Å; E56-R59 PolarHBondContact O-N 2.88Å; E57-R59 VanDerWaalsContact C-N 3.32Å; E57-R59 PolarHBondContact O-N 3.23Å |
| 60 | R | 62.7 | Low | 60.6 | Low | 131 Ų | 131 | 107.7 Ų | 107.7 | 49% | 0.494 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -79.9 | -38.8 | 174.8 | -69.1 | 179 | -176.2 | -164.3 | 10.5 | 111.8 | E56 E57 E58 | E56-R60 WeakPolarHBondContact O-CG 3.45Å; E56-R60 PolarHBondContact O-N 3.5Å; E56-R60 IonicContact OE1-CZ 3.58Å; E56-R60 VanDerWaalsContact OE1-CZ 3.3Å; E56-R60 IonicContact OE1-NE 3.41Å; E56-R60 PolarHBondContact OE1-NE 3.43Å; E56-R60 VanDerWaalsContact OE1-NE 3.17Å; E56-R60 IonicContact OE1-NH2 2.9Å; E56-R60 PolarHBondContact OE1-NH2 3.3Å; E57-R60 PolarHBondContact O-N 3.06Å; E57-R60 VanDerWaalsContact O-N 3.12Å; E58-R60 VanDerWaalsContact C-N 3.27Å; E58-R60 PolarHBondContact O-N 2.94Å |
| 61 | R | 60.3 | Low | 58.3 | Low | 197 Ų | 197 | 107.6 Ų | 107.6 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -76.6 | -34.2 | 179.1 | -70.3 | -174.7 | -176.4 | -130.8 | 5.8 | 113.1 | E57 E58 G63 | E57-R61 HydrophobicContact CG-CG 4.21Å; E57-R61 WeakPolarHBondContact O-CB 3.39Å; E57-R61 WeakPolarHBondContact O-CG 3.47Å; E57-R61 PolarHBondContact O-N 2.84Å; E57-R61 IonicContact OE1-CZ 3.75Å; E57-R61 VanDerWaalsContact OE1-CZ 3.31Å; E57-R61 IonicContact OE1-NE 2.93Å; E57-R61 PolarHBondContact OE1-NE 3.44Å; E57-R61 IonicContact OE1-NH2 2.93Å; E57-R61 PolarHBondContact OE1-NH2 3.05Å; E58-R61 PolarHBondContact O-N 3.34Å; R61-G63 PolarHBondContact O-N 3.12Å |
| 62 | A | 59.2 | Low | 56.4 | Low | 81 Ų | 81 | 114.7 Ų | 114.7 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 4.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E58 | E58-A62 WeakPolarHBondContact O-CB 3.47Å; E58-A62 PolarHBondContact O-N 2.85Å |
| 63 | G | 44.3 | Very low | 55 | Low | 44 Ų | 44 | 120.5 Ų | 120.5 | 45% | 0.454 | 62% | 0.624 | S | S | . | * | trans | 71.4 | 131.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R61 G65 | R61-G63 PolarHBondContact O-N 3.12Å; G63-G65 PolarHBondContact O-N 3.43Å | ||
| 64 | G | 46.6 | Very low | 54.3 | Low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -65.7 | 56.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 65 | G | 44.3 | Very low | 53.2 | Low | 38 Ų | 38 | 133.7 Ų | 133.7 | 39% | 0.392 | 65% | 0.653 | S | S | . | * | trans | -103.1 | -9.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G63 E67 R68 | G63-G65 PolarHBondContact O-N 3.43Å; G65-E67 VanDerWaalsContact C-N 3.34Å; G65-E67 PolarHBondContact O-N 3.37Å; G65-R68 PolarHBondContact O-N 3.41Å | ||
| 66 | A | 46 | Very low | 52.1 | Low | 90 Ų | 90 | 130.9 Ų | 130.9 | 74% | 0.744 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -74.3 | -16.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R68 | A66-R68 VanDerWaalsContact C-N 3.28Å; A66-R68 PolarHBondContact O-N 3.04Å |
| 67 | E | 50.6 | Low | 51 | Low | 162 Ų | 162 | 141.6 Ų | 141.6 | 76% | 0.757 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -80.9 | -5.8 | 178.7 | -154.6 | 179.6 | 129.7 | 0 | 0 | 113.1 | K19 G65 | K19-E67 IonicContact NZ-OE1 2.79Å; K19-E67 PolarHBondContact NZ-OE1 3.36Å; G65-E67 VanDerWaalsContact C-N 3.34Å; G65-E67 PolarHBondContact O-N 3.37Å |
| 68 | R | 51.3 | Low | 50 | Low | 209 Ų | 209 | 141.4 Ų | 141.4 | 79% | 0.789 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -102.4 | -8.3 | -171.5 | -46.9 | -176.2 | -175.1 | -125.8 | -1.7 | 114.4 | G65 A66 | G65-R68 PolarHBondContact O-N 3.41Å; A66-R68 VanDerWaalsContact C-N 3.28Å; A66-R68 PolarHBondContact O-N 3.04Å |
| 69 | S | 47.7 | Very low | 49.3 | Very low | 87 Ų | 87 | 139.8 Ų | 139.8 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -96.7 | -6.3 | -166.3 | -58.6 | 0 | 0 | 0 | 0 | 115.1 | G71 | S69-G71 PolarHBondContact O-N 3.29Š|
| 70 | R | 49.5 | Very low | 48.1 | Very low | 260 Ų | 260 | 137.3 Ų | 137.3 | 98% | 0.981 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 20.8 | 175.6 | -68 | -161.2 | 178.4 | -168.9 | 1.2 | 114.7 | ||
| 71 | G | 45.3 | Very low | 47.4 | Very low | 70 Ų | 70 | 135.9 Ų | 135.9 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | 2.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S69 | S69-G71 PolarHBondContact O-N 3.29Š|
| 72 | R | 49.3 | Very low | 46.4 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | -123 | 3.6 | -169.2 | -129.6 | 179.5 | -171.4 | -94.5 | 5 | 117.1 | R74 | R72-R74 VanDerWaalsContact C-N 3.34Å; R72-R74 PolarHBondContact O-N 3.38Å | ||
| 73 | E | 49 | Very low | 45.6 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 34.4 | 176.9 | -78.6 | -173.9 | 95.6 | 0 | 0 | 114.4 | ||
| 74 | R | 56 | Low | 45.3 | Very low | 244 Ų | 244 | 140.3 Ų | 140.3 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 23.4 | 165.9 | -72.9 | -84.6 | -165.2 | -97.8 | -0.5 | 112.3 | R72 | R72-R74 VanDerWaalsContact C-N 3.34Å; R72-R74 PolarHBondContact O-N 3.38Å |
| 75 | R | 44.9 | Very low | 45.4 | Very low | 218 Ų | 218 | 140.1 Ų | 140.1 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | trans | -113.1 | 59.6 | 168.4 | -65.4 | -164.9 | -164.4 | -105.5 | 2.7 | 110.1 | ||||
| 76 | G | 40 | Very low | 45.8 | Very low | 62 Ų | 62 | 144.4 Ų | 144.4 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -141 | 114.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 77 | R | 42.2 | Very low | 46.6 | Very low | 256 Ų | 256 | 148 Ų | 148 | 97% | 0.966 | 80% | 0.803 | S | S | * | * | trans | 72.3 | 108.3 | 151.7 | -164.8 | -172.6 | -73.8 | -102.8 | 4.3 | 116.9 | ||||
| 78 | G | 42.2 | Very low | 47.2 | Very low | 76 Ų | 76 | 147.6 Ų | 147.6 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | 164.4 | 104 | 159 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 79 | A | 42.9 | Very low | 48 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -57.1 | 144.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 80 | S | 35.6 | Very low | 49.1 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -57.9 | 156.4 | 149.9 | -167.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 81 | P | 47.6 | Very low | 49.5 | Very low | 101 Ų | 101 | 140 Ų | 140 | 66% | 0.656 | 79% | 0.79 | S | S | * | * | cis | -141.1 | 176.7 | 18.3 | 35.6 | -13.3 | 0 | 0 | 0 | 115.3 | ||||
| 82 | R | 40.8 | Very low | 50.4 | Low | 249 Ų | 249 | 144.9 Ų | 144.9 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | trans | 56.6 | 102.9 | 147.7 | -73 | 171.4 | 166.1 | -171.4 | -4.9 | 118.3 | ||||
| 83 | G | 41.5 | Very low | 50.9 | Low | 79 Ų | 79 | 140.7 Ų | 140.7 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -179.7 | 126.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 84 | G | 37.1 | Very low | 51.3 | Low | 88 Ų | 88 | 136 Ų | 136 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | trans | -78.5 | 169.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 85 | G | 49.8 | Very low | 51.7 | Low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | trans | 129.4 | 121.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113 | L87 | G85-L87 PolarHBondContact O-N 3.41Å; G85-L87 VanDerWaalsContact O-N 3.08Å | ||
| 86 | P | 52.4 | Low | 52.5 | Low | 129 Ų | 129 | 125 Ų | 125 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | -80.8 | 90.8 | 175.4 | 33.3 | -28.8 | 0 | 0 | 0 | 108.7 | I88 | P86-I88 PolarHBondContact O-N 3.07Š| ||
| 87 | L | 63.6 | Low | 53 | Low | 165 Ų | 165 | 126.1 Ų | 126.1 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -80.1 | 114.9 | 162 | -62.8 | -177.6 | 0 | 0 | 0 | 107.3 | G85 L89 | G85-L87 PolarHBondContact O-N 3.41Å; G85-L87 VanDerWaalsContact O-N 3.08Å; L87-L89 VanDerWaalsContact C-N 3.27Å; L87-L89 PolarHBondContact O-N 3.41Å | ||
| 88 | I | 63.2 | Low | 53.8 | Low | 153 Ų | 153 | 120.8 Ų | 120.8 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | -64.1 | 94.3 | 171.2 | -55.7 | -166.4 | 0 | 0 | 0 | 106.7 | P86 L90 | P86-I88 PolarHBondContact O-N 3.07Å; I88-L90 VanDerWaalsContact C-N 3.34Å; I88-L90 HydrophobicContact CG2-CD1 4.09Å; I88-L90 PolarHBondContact O-N 3.08Å | ||
| 89 | L | 68.4 | Low | 54.5 | Low | 151 Ų | 151 | 124.4 Ų | 124.4 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | -67.3 | 99.3 | 168.5 | -176.1 | 62.2 | 0 | 0 | 0 | 106 | L87 D91 | L87-L89 VanDerWaalsContact C-N 3.27Å; L87-L89 PolarHBondContact O-N 3.41Å; L89-D91 VanDerWaalsContact C-N 3.26Å; L89-D91 PolarHBondContact O-N 3.22Å | ||
| 90 | L | 68.9 | Low | 54.9 | Low | 133 Ų | 133 | 124.9 Ų | 124.9 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | trans | -56.6 | 101.7 | 160.4 | -108.6 | 61.3 | 0 | 0 | 0 | 105.9 | I88 L92 | I88-L90 VanDerWaalsContact C-N 3.34Å; I88-L90 HydrophobicContact CG2-CD1 4.09Å; I88-L90 PolarHBondContact O-N 3.08Å; L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 PolarHBondContact O-N 3.26Å | ||
| 91 | D | 57.9 | Low | 55.7 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 60% | 0.599 | 72% | 0.723 | S | S | * | * | trans | -66.5 | 94.9 | 174.1 | -170.7 | 38.9 | 0 | 0 | 0 | 106.6 | L89 N93 | L89-D91 VanDerWaalsContact C-N 3.26Å; L89-D91 PolarHBondContact O-N 3.22Å; D91-N93 PolarHBondContact O-N 3.25Å; D91-N93 WeakPolarHBondContact OD1-CB 3.31Å | ||
| 92 | L | 64.7 | Low | 55.8 | Low | 173 Ų | 173 | 130.3 Ų | 130.3 | 91% | 0.906 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -66.8 | 12.2 | 172.6 | -68.4 | 157.9 | 0 | 0 | 0 | 111.9 | L90 D94 | L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 PolarHBondContact O-N 3.26Å; L92-D94 PolarHBondContact O-N 3.28Å |
| 93 | N | 61.3 | Low | 56.5 | Low | 107 Ų | 107 | 124.9 Ų | 124.9 | 57% | 0.572 | 73% | 0.727 | S | S | * | * | trans | -92.4 | 33 | 170.7 | -153.9 | 13 | 0 | 0 | 0 | 111.5 | D91 E95 | D91-N93 PolarHBondContact O-N 3.25Å; D91-N93 WeakPolarHBondContact OD1-CB 3.31Å; N93-E95 PolarHBondContact O-N 2.89Å | ||
| 94 | D | 57.4 | Low | 57.2 | Low | 87 Ų | 87 | 129 Ų | 129 | 47% | 0.465 | 73% | 0.726 | S | S | . | * | trans | -73.9 | 71.8 | 170 | -167.9 | 69.9 | 0 | 0 | 0 | 109.8 | L92 N96 S97 | L92-D94 PolarHBondContact O-N 3.28Å; D94-N96 PolarHBondContact O-N 3.14Å; D94-S97 WeakPolarHBondContact OD2-CA 3.42Å; D94-S97 WeakPolarHBondContact OD2-CB 3.26Å; D94-S97 PolarHBondContact OD2-N 2.79Å; D94-S97 PolarHBondContact OD2-OG 3.2Å | ||
| 95 | E | 63.3 | Low | 58 | Low | 149 Ų | 149 | 128.2 Ų | 128.2 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 27.7 | 166.5 | -69.8 | -149.3 | 79 | 0 | 0 | 112.3 | K15 N93 | K15-E95 IonicContact NZ-OE1 3.38Å; N93-E95 PolarHBondContact O-N 2.89Å |
| 96 | N | 61.1 | Low | 58.2 | Low | 82 Ų | 82 | 131.2 Ų | 131.2 | 44% | 0.439 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.2 | 3.5 | -173 | -179.6 | 64.4 | 0 | 0 | 0 | 113.7 | R11 D94 N98 | R11-N96 PolarHBondContact NH1-OD1 2.66Å; R11-N96 PolarHBondContact NH2-OD1 3.07Å; D94-N96 PolarHBondContact O-N 3.14Å; N96-N98 PolarHBondContact O-N 3.23Å |
| 97 | S | 51.5 | Low | 58.4 | Low | 86 Ų | 86 | 132.2 Ų | 132.2 | 60% | 0.601 | 73% | 0.726 | S | S | * | * | trans | -67.8 | 92.4 | 177.5 | -85.6 | 0 | 0 | 0 | 0 | 112.3 | D94 Q99 | D94-S97 WeakPolarHBondContact OD2-CA 3.42Å; D94-S97 WeakPolarHBondContact OD2-CB 3.26Å; D94-S97 PolarHBondContact OD2-N 2.79Å; D94-S97 PolarHBondContact OD2-OG 3.2Å; S97-Q99 VanDerWaalsContact C-N 3.25Å; S97-Q99 PolarHBondContact O-N 3.24Å | ||
| 98 | N | 59.1 | Low | 57.9 | Low | 143 Ų | 143 | 132.8 Ų | 132.8 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | trans | -59.7 | 96 | 148.4 | -77.6 | -21.3 | 0 | 0 | 0 | 106.5 | N96 S100 | N96-N98 PolarHBondContact O-N 3.23Å; N98-S100 PolarHBondContact O-N 2.95Å | ||
| 99 | Q | 57.7 | Low | 57.3 | Low | 153 Ų | 153 | 134.3 Ų | 134.3 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | trans | -64 | 101.8 | 168.9 | -72.8 | -154.6 | 12.3 | 0 | 0 | 108.6 | S97 F101 | S97-Q99 VanDerWaalsContact C-N 3.25Å; S97-Q99 PolarHBondContact O-N 3.24Å; Q99-F101 HydrophobicContact CB-CD2 4.26Å | ||
| 100 | S | 51.1 | Low | 56.4 | Low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | -88 | 97.9 | 154.9 | 57.7 | 0 | 0 | 0 | 0 | 107.6 | N98 | N98-S100 PolarHBondContact O-N 2.95Š| ||
| 101 | F | 52.4 | Low | 55.5 | Low | 163 Ų | 163 | 128.9 Ų | 128.9 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | trans | -99.3 | 81.1 | 162.7 | -95.3 | -85.4 | 0 | 0 | 0 | 108.5 | Q99 | Q99-F101 HydrophobicContact CB-CD2 4.26Š| ||
| 102 | H | 48.4 | Very low | 54.7 | Low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | trans | -149.7 | 70.5 | 158.8 | -69.3 | -72.2 | 0 | 0 | 0 | 108.4 | E104 | H102-E104 VanDerWaalsContact C-N 3.26Å; H102-E104 IonicContact ND1-OE2 3.81Å; H102-E104 PolarHBondContact O-N 2.99Å | ||
| 103 | S | 55.8 | Low | 54.2 | Low | 134 Ų | 134 | 128.3 Ų | 128.3 | 94% | 0.937 | 72% | 0.716 | S | S | * | * | trans | -86.8 | 77.8 | 156 | -65.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 104 | E | 57 | Low | 53.3 | Low | 166 Ų | 166 | 129 Ų | 129 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | -99.2 | 119.3 | 167.7 | -77.2 | -175.7 | 84.5 | 0 | 0 | 109.3 | H102 | H102-E104 VanDerWaalsContact C-N 3.26Å; H102-E104 IonicContact ND1-OE2 3.81Å; H102-E104 PolarHBondContact O-N 2.99Å | ||
| 105 | G | 54.1 | Low | 52.8 | Low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | 62.8 | 75.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | L107 | G105-L107 VanDerWaalsContact C-N 3.29Å; G105-L107 PolarHBondContact O-N 2.85Å | ||
| 106 | S | 53.4 | Low | 51.8 | Low | 125 Ų | 125 | 128.2 Ų | 128.2 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -75.6 | 83 | 155.4 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 107 | L | 56.6 | Low | 51.1 | Low | 150 Ų | 150 | 127.9 Ų | 127.9 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -87.7 | 97.2 | 162.4 | -72 | 177.8 | 0 | 0 | 0 | 108.7 | G105 K109 | G105-L107 VanDerWaalsContact C-N 3.29Å; G105-L107 PolarHBondContact O-N 2.85Å; L107-K109 PolarHBondContact O-N 2.96Å | ||
| 108 | Q | 52.8 | Low | 51.1 | Low | 177 Ų | 177 | 129.9 Ų | 129.9 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | 28.2 | 82.7 | 133.1 | -49.1 | 177.8 | 34 | 0 | 0 | 115.3 | G110 | Q108-G110 PolarHBondContact O-N 3.26Š| ||
| 109 | K | 51.2 | Low | 51.1 | Low | 185 Ų | 185 | 128.6 Ų | 128.6 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -83.3 | 91.6 | 168.2 | -170.1 | 162.5 | -179 | -172.2 | 0 | 110 | L107 T111 | L107-K109 PolarHBondContact O-N 2.96Å; K109-T111 VanDerWaalsContact CE-OG1 3.27Å; K109-T111 WeakPolarHBondContact CE-OG1 3.36Å; K109-T111 WeakPolarHBondContact CG-OG1 3.12Å | ||
| 110 | G | 49.4 | Very low | 50.8 | Low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -80.2 | 120.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q108 | Q108-G110 PolarHBondContact O-N 3.26Š| ||
| 111 | T | 49.8 | Very low | 51.2 | Low | 97 Ų | 97 | 129.6 Ų | 129.6 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | trans | -148.5 | 119.1 | 172.3 | -70.3 | 0 | 0 | 0 | 0 | 107.7 | K109 | K109-T111 VanDerWaalsContact CE-OG1 3.27Å; K109-T111 WeakPolarHBondContact CE-OG1 3.36Å; K109-T111 WeakPolarHBondContact CG-OG1 3.12Å | ||
| 112 | E | 41.9 | Very low | 51.2 | Low | 177 Ų | 177 | 127 Ų | 127 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | -175 | 156.3 | 124.1 | -97.8 | -149.6 | 94.5 | 0 | 0 | 108.8 | |||||
| 113 | P | 52.6 | Low | 51.5 | Low | 96 Ų | 96 | 130.5 Ų | 130.5 | 62% | 0.623 | 79% | 0.793 | S | S | * | * | -137 | 148.6 | -50.3 | 34 | -17 | 0 | 0 | 0 | 110.9 | |||||
| 114 | S | 43.6 | Very low | 52 | Low | 121 Ų | 121 | 130.2 Ų | 130.2 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -159.4 | 136.5 | 157.6 | -88.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 115 | P | 46.4 | Very low | 52.1 | Low | 134 Ų | 134 | 128.9 Ų | 128.9 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | -86.2 | 138.6 | -168.2 | 35 | -32.4 | 0 | 0 | 0 | 110.9 | ||||
| 116 | G | 43 | Very low | 51.7 | Low | 86 Ų | 86 | 130.6 Ų | 130.6 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | 153.7 | 118.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 117 | G | 44.9 | Very low | 52.3 | Low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 127.9 | 77.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P119 | G117-P119 WeakPolarHBondContact O-CD 3.42Š| ||
| 118 | T | 51.7 | Low | 51.9 | Low | 128 Ų | 128 | 128.4 Ų | 128.4 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -75.3 | 127 | 161.2 | -48.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 119 | P | 60.3 | Low | 51.6 | Low | 116 Ų | 116 | 123.4 Ų | 123.4 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -91.4 | 102.9 | 153.3 | 31.1 | -23.7 | 0 | 0 | 0 | 107.7 | G117 | G117-P119 WeakPolarHBondContact O-CD 3.42Š| ||
| 120 | Q | 49.8 | Very low | 51.8 | Low | 163 Ų | 163 | 120.7 Ų | 120.7 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -68.1 | 128.1 | 166.2 | -115.6 | -168.8 | -5.3 | 0 | 0 | 108.3 | S122 | Q120-S122 PolarHBondContact O-N 2.87Š| ||
| 121 | P | 59.3 | Low | 52 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -71 | 110.9 | 160.7 | 27 | -28.4 | 0 | 0 | 0 | 108.1 | R123 | P121-R123 PolarHBondContact O-N 3.42Š| ||
| 122 | S | 52.6 | Low | 51.8 | Low | 109 Ų | 109 | 126.7 Ų | 126.7 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 124.6 | 179.4 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | Q120 | Q120-S122 PolarHBondContact O-N 2.87Š|
| 123 | R | 56.3 | Low | 51.9 | Low | 234 Ų | 234 | 122 Ų | 122 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 133.6 | 167.7 | -68.4 | 170.7 | 74.5 | -166.7 | 4.2 | 108.6 | P121 V125 | P121-R123 PolarHBondContact O-N 3.42Å; R123-V125 PolarHBondContact O-N 3.41Å |
| 124 | P | 65.6 | Low | 51.7 | Low | 129 Ų | 129 | 124 Ų | 124 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 131.6 | 168.3 | 25.6 | -29.3 | 0 | 0 | 0 | 109.9 | ||
| 125 | V | 58.5 | Low | 51.9 | Low | 138 Ų | 138 | 123.6 Ų | 123.6 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 137.6 | 177.2 | 64.1 | 0 | 0 | 0 | 0 | 110.4 | R123 | R123-V125 PolarHBondContact O-N 3.41Š|
| 126 | S | 45.1 | Very low | 52.1 | Low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 134.8 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 127 | P | 68 | Low | 52.6 | Low | 130 Ų | 130 | 131.8 Ų | 131.8 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 129.2 | 158.4 | 30.8 | -26.6 | 0 | 0 | 0 | 109.6 | ||
| 128 | A | 46.8 | Very low | 53 | Low | 100 Ų | 100 | 132.8 Ų | 132.8 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 135.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 129 | G | 46.6 | Very low | 53.3 | Low | 72 Ų | 72 | 134.6 Ų | 134.6 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 68.2 | 153 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 130 | P | 54.9 | Low | 53.7 | Low | 128 Ų | 128 | 134.1 Ų | 134.1 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | cis | -123.5 | 172.3 | 40 | 13.3 | 11.6 | 0 | 0 | 0 | 114.7 | ||||
| 131 | P | 54.2 | Low | 54.5 | Low | 104 Ų | 104 | 132.1 Ų | 132.1 | 68% | 0.675 | 81% | 0.806 | S | S | * | * | trans | -94.3 | 175.6 | -161.3 | 39.6 | -36.3 | 0 | 0 | 0 | 114.5 | ||||
| 132 | E | 45.7 | Very low | 54.9 | Low | 192 Ų | 192 | 136.9 Ų | 136.9 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | 85.4 | 114.1 | 160.4 | -71.4 | 166.5 | 73 | 0 | 0 | 118.3 | ||||
| 133 | G | 43.8 | Very low | 55.1 | Low | 78 Ų | 78 | 140.2 Ų | 140.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 142.4 | 88.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 134 | V | 49.3 | Very low | 55.1 | Low | 139 Ų | 139 | 132.6 Ų | 132.6 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -58.4 | 162.6 | 161 | -62.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 135 | P | 47.1 | Very low | 54.5 | Low | 112 Ų | 112 | 135.6 Ų | 135.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | -139.3 | 167 | 12.7 | 37.4 | -16.5 | 0 | 0 | 0 | 115.9 | E137 | P135-E137 PolarHBondContact O-N 3.01Š| ||
| 136 | E | 49.9 | Very low | 53.9 | Low | 198 Ų | 198 | 138.3 Ų | 138.3 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | 32.9 | 87.3 | 143.4 | -161.4 | 178.2 | 109.3 | 0 | 0 | 118.4 | ||||
| 137 | E | 53.1 | Low | 54.4 | Low | 195 Ų | 195 | 144.6 Ų | 144.6 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -145.7 | 146.4 | 167.4 | -163.9 | 168.3 | 85.9 | 0 | 0 | 111.4 | P135 | P135-E137 PolarHBondContact O-N 3.01Š| ||
| 138 | A | 53.7 | Low | 53.3 | Low | 96 Ų | 96 | 145.2 Ų | 145.2 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | trans | 89.9 | 64.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 139 | Q | 58.8 | Low | 53.4 | Low | 166 Ų | 166 | 145.6 Ų | 145.6 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 126.3 | 140.8 | -172.9 | 178.6 | -22.2 | 0 | 0 | 108.5 | ||
| 140 | P | 67.9 | Low | 53.1 | Low | 105 Ų | 105 | 145.8 Ų | 145.8 | 68% | 0.682 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 138.4 | 177.2 | 27.5 | -32.3 | 0 | 0 | 0 | 110.3 | R142 | P140-R142 PolarHBondContact O-N 3.47Š|
| 141 | P | 66.5 | Low | 52.4 | Low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64 | 131 | -177.9 | 24.7 | -32 | 0 | 0 | 0 | 110.4 | L143 | P141-L143 PolarHBondContact O-N 3.37Š|
| 142 | R | 68.5 | Low | 52 | Low | 220 Ų | 220 | 146.5 Ų | 146.5 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -73.3 | 100.3 | 174.4 | -55.6 | -156.3 | 99.4 | -158.1 | 5.5 | 108.7 | P140 G144 | P140-R142 PolarHBondContact O-N 3.47Å; R142-G144 PolarHBondContact O-N 2.62Å | ||
| 143 | L | 57.4 | Low | 51.8 | Low | 180 Ų | 180 | 144.1 Ų | 144.1 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | 118.6 | 163.8 | -117.1 | 108.4 | 0 | 0 | 0 | 108.8 | P141 | P141-L143 PolarHBondContact O-N 3.37Š|
| 144 | G | 56.4 | Low | 52 | Low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.9 | 15.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | R142 | R142-G144 PolarHBondContact O-N 2.62Š|
| 145 | Q | 53.3 | Low | 51.5 | Low | 192 Ų | 192 | 142.4 Ų | 142.4 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | -100.2 | 97.6 | 168.3 | -79.4 | -175.6 | -5 | 0 | 0 | 110.9 | ||||
| 146 | E | 44.9 | Very low | 51.7 | Low | 195 Ų | 195 | 142.8 Ų | 142.8 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -69.6 | 130.4 | 165.9 | -56 | -155.7 | 96.8 | 0 | 0 | 109.9 | ||||
| 147 | R | 56.1 | Low | 51.9 | Low | 240 Ų | 240 | 138.9 Ų | 138.9 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -152.1 | 101.6 | 162.1 | -163.8 | 168.7 | -178.3 | -120.6 | 0.1 | 109.9 | ||||
| 148 | D | 44.4 | Very low | 52.2 | Low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | trans | -55.1 | 151.2 | 154.7 | -163.6 | 60.7 | 0 | 0 | 0 | 109.1 | ||||
| 149 | P | 49.2 | Very low | 52.8 | Low | 108 Ų | 108 | 139.4 Ų | 139.4 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | cis | -149.8 | 161.9 | 45.5 | 39.4 | -17.3 | 0 | 0 | 0 | 118.6 | ||||
| 150 | G | 39.2 | Very low | 53.5 | Low | 75 Ų | 75 | 136.1 Ų | 136.1 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 75.7 | 110.6 | 134.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 151 | G | 41.2 | Very low | 53.7 | Low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | 96.8 | 93.3 | 138.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 152 | I | 45.2 | Very low | 53.5 | Low | 173 Ų | 173 | 138.8 Ų | 138.8 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -155.5 | 122.9 | 130.6 | 45.6 | 162.7 | 0 | 0 | 0 | 109.8 | ||||
| 153 | T | 42.8 | Very low | 53.3 | Low | 142 Ų | 142 | 136.5 Ų | 136.5 | 87% | 0.871 | 81% | 0.812 | S | S | * | * | trans | -78.1 | 131.3 | 165.5 | 45.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 154 | A | 47 | Very low | 53.4 | Low | 98 Ų | 98 | 133.8 Ų | 133.8 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 158.2 | 129.5 | 139.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 155 | G | 39.7 | Very low | 53.8 | Low | 83 Ų | 83 | 140 Ų | 140 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -64.6 | 151.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 156 | S | 51.1 | Low | 54.5 | Low | 121 Ų | 121 | 139.9 Ų | 139.9 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -151.8 | 129.3 | 155 | -158 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 157 | T | 54 | Low | 55.3 | Low | 116 Ų | 116 | 138.2 Ų | 138.2 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -26.9 | 129.8 | 173.5 | -51.9 | 0 | 0 | 0 | 0 | 116.1 | E159 | T157-E159 HydrophobicContact CG2-CB 4.37Å; T157-E159 PolarHBondContact O-N 2.92Å | ||
| 158 | D | 58.9 | Low | 55.8 | Low | 165 Ų | 165 | 132.2 Ų | 132.2 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -68.8 | 96.5 | 159.1 | -176.8 | -118.7 | 0 | 0 | 0 | 107.8 | ||||
| 159 | E | 66.9 | Low | 56.4 | Low | 136 Ų | 136 | 131.6 Ų | 131.6 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -114.1 | 122.4 | 170.7 | -164.3 | 178.3 | 100.4 | 0 | 0 | 108.7 | T157 | T157-E159 HydrophobicContact CG2-CB 4.37Å; T157-E159 PolarHBondContact O-N 2.92Å | ||
| 160 | P | 73.8 | Confident | 56.4 | Low | 98 Ų | 98 | 131.7 Ų | 131.7 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 150.7 | 176.8 | 29.2 | -34.1 | 0 | 0 | 0 | 110.4 | M162 | P160-M162 PolarHBondContact O-N 2.89Å; P160-M162 VanDerWaalsContact O-N 3.13Å |
| 161 | P | 71.4 | Confident | 56.8 | Low | 132 Ų | 132 | 136.4 Ų | 136.4 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 119.6 | -171.6 | 25 | -33.8 | 0 | 0 | 0 | 111.5 | L163 | P161-L163 PolarHBondContact O-N 3.48Š|
| 162 | M | 63 | Low | 57.2 | Low | 150 Ų | 150 | 140.4 Ų | 140.4 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67 | 122.1 | 169.9 | -69 | -177.3 | 63.9 | 0 | 0 | 109.8 | P160 T164 | P160-M162 PolarHBondContact O-N 2.89Å; P160-M162 VanDerWaalsContact O-N 3.13Å; M162-T164 PolarHBondContact O-N 2.93Å |
| 163 | L | 64.2 | Low | 57.2 | Low | 172 Ų | 172 | 139.3 Ų | 139.3 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -69.5 | 100.6 | 173.6 | -153.1 | 147.4 | 0 | 0 | 0 | 108 | P161 | P161-L163 PolarHBondContact O-N 3.48Š| ||
| 164 | T | 57.8 | Low | 57.2 | Low | 124 Ų | 124 | 141.8 Ų | 141.8 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 133.8 | 177.7 | 44.6 | 0 | 0 | 0 | 0 | 109.8 | M162 E166 | M162-T164 PolarHBondContact O-N 2.93Å; T164-E166 PolarHBondContact O-N 2.91Å |
| 165 | K | 65.1 | Low | 57.3 | Low | 203 Ų | 203 | 141.8 Ų | 141.8 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 124.7 | 177.5 | -79.3 | 168.7 | 166.6 | 172.7 | 0 | 111 | E167 | K165-E167 PolarHBondContact O-N 3.17Š|
| 166 | E | 67.9 | Low | 57.6 | Low | 189 Ų | 189 | 147.4 Ų | 147.4 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 118.6 | 156.7 | -175.6 | -176.3 | 88.1 | 0 | 0 | 107.9 | T164 | T164-E166 PolarHBondContact O-N 2.91Š|
| 167 | E | 62.6 | Low | 57.3 | Low | 160 Ų | 160 | 145.9 Ų | 145.9 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 125 | 175.1 | -178.9 | -173 | 119.7 | 0 | 0 | 109 | K165 V169 | K165-E167 PolarHBondContact O-N 3.17Å; E167-V169 PolarHBondContact O-N 2.99Å |
| 168 | P | 65.7 | Low | 57.2 | Low | 114 Ų | 114 | 145.9 Ų | 145.9 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 116.1 | 175.8 | 29.2 | -31 | 0 | 0 | 0 | 110.1 | P170 | P168-P170 WeakPolarHBondContact O-CD 3.42Š|
| 169 | V | 58.4 | Low | 56.5 | Low | 130 Ų | 130 | 146.4 Ų | 146.4 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 123.1 | 172.1 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | E167 | E167-V169 PolarHBondContact O-N 2.99Š|
| 170 | P | 48.1 | Very low | 55.8 | Low | 110 Ų | 110 | 142.7 Ų | 142.7 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | trans | -104 | 92.6 | 176.9 | 35.4 | -24.5 | 0 | 0 | 0 | 110.4 | P168 | P168-P170 WeakPolarHBondContact O-CD 3.42Š| ||
| 171 | E | 47.4 | Very low | 54.7 | Low | 175 Ų | 175 | 148.1 Ų | 148.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -177.6 | 103.1 | 157.9 | -121.8 | -179.8 | 114.8 | 0 | 0 | 107.3 | ||||
| 172 | L | 49.8 | Very low | 53.8 | Low | 157 Ų | 157 | 146.8 Ų | 146.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -167.5 | 111.4 | 145.1 | -85.5 | -153.3 | 0 | 0 | 0 | 107.4 | ||||
| 173 | L | 45.7 | Very low | 53.1 | Low | 151 Ų | 151 | 146.2 Ų | 146.2 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 77.1 | 98.3 | 150 | 2.8 | 171.7 | 0 | 0 | 0 | 118.7 | ||||
| 174 | E | 43 | Very low | 52.6 | Low | 194 Ų | 194 | 147.6 Ų | 147.6 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -46.5 | 130.4 | 145.4 | -71.6 | 155.2 | 77.6 | 0 | 0 | 112.1 | ||||
| 175 | A | 48.7 | Very low | 53.1 | Low | 97 Ų | 97 | 149.9 Ų | 149.9 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | 173.8 | 131.9 | 128.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 176 | E | 46.7 | Very low | 53.1 | Low | 202 Ų | 202 | 146 Ų | 146 | 94% | 0.944 | 79% | 0.789 | S | S | * | * | trans | 86 | 105.5 | 156.6 | -144.4 | 164.3 | 99.9 | 0 | 0 | 118.7 | ||||
| 177 | A | 44.5 | Very low | 53.1 | Low | 88 Ų | 88 | 143.4 Ų | 143.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -98.2 | -167.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 178 | P | 50.7 | Low | 53.5 | Low | 117 Ų | 117 | 140.7 Ų | 140.7 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | -129.5 | 149.6 | -69.4 | 35.2 | -20.4 | 0 | 0 | 0 | 111.3 | |||||
| 179 | E | 46.1 | Very low | 53.5 | Low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -159.1 | 118.8 | 161.6 | -102.9 | -72.2 | 95.3 | 0 | 0 | 111.7 | ||||
| 180 | A | 51.4 | Low | 53.9 | Low | 59 Ų | 59 | 141.6 Ų | 141.6 | 49% | 0.488 | 79% | 0.788 | S | S | . | * | trans | 36.7 | 133.5 | 144 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 181 | Y | 49.9 | Very low | 54.4 | Low | 211 Ų | 211 | 141.9 Ų | 141.9 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | 141.3 | 144.6 | 129.1 | -70.5 | -62 | 0 | 0 | 0 | 114 | |||||
| 182 | P | 53.2 | Low | 54.5 | Low | 105 Ų | 105 | 143 Ų | 143 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | -112.2 | 168.3 | -123.8 | 39.6 | -32.5 | 0 | 0 | 0 | 115.2 | |||||
| 183 | V | 48.5 | Very low | 54.5 | Low | 137 Ų | 137 | 140.2 Ų | 140.2 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | -40.5 | 128.5 | 165.8 | 154.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 184 | F | 52.7 | Low | 54.6 | Low | 202 Ų | 202 | 136.6 Ų | 136.6 | 89% | 0.886 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 119.3 | 168.7 | -83.7 | -94.8 | 0 | 0 | 0 | 110.5 | ||
| 185 | E | 68.6 | Low | 54.7 | Low | 172 Ų | 172 | 136.5 Ų | 136.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 143.7 | 161.5 | -90.7 | -159.2 | 124.2 | 0 | 0 | 111 | ||
| 186 | P | 65.6 | Low | 54.5 | Low | 121 Ų | 121 | 135.4 Ų | 135.4 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 131.4 | 175.4 | 30.7 | -32.1 | 0 | 0 | 0 | 112.6 | ||
| 187 | V | 67.5 | Low | 54.5 | Low | 134 Ų | 134 | 133.1 Ų | 133.1 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 133.7 | 177.7 | 166.9 | 0 | 0 | 0 | 0 | 112 | ||
| 188 | P | 71.3 | Confident | 54.9 | Low | 103 Ų | 103 | 134.9 Ų | 134.9 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 152.3 | 173.6 | 31.5 | -33.8 | 0 | 0 | 0 | 112.8 | ||
| 189 | P | 64.6 | Low | 55.1 | Low | 129 Ų | 129 | 137.8 Ų | 137.8 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 136.9 | -174.1 | 29.7 | -34.1 | 0 | 0 | 0 | 113.4 | ||
| 190 | V | 68.6 | Low | 55.2 | Low | 135 Ų | 135 | 136.9 Ų | 136.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 135.5 | 175.9 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 191 | P | 58.5 | Low | 55.4 | Low | 115 Ų | 115 | 139.6 Ų | 139.6 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 141 | 179.8 | 29.7 | -33.2 | 0 | 0 | 0 | 113.5 | ||
| 192 | E | 48 | Very low | 55.3 | Low | 200 Ų | 200 | 139.4 Ų | 139.4 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 120 | 177.8 | -173.4 | 174.4 | 100.4 | 0 | 0 | 111.8 | ||
| 193 | A | 50.5 | Low | 55 | Low | 97 Ų | 97 | 137.8 Ų | 137.8 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -114.3 | 104 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 194 | A | 48.6 | Very low | 55.6 | Low | 75 Ų | 75 | 135.9 Ų | 135.9 | 62% | 0.62 | 81% | 0.807 | S | S | * | * | trans | 10.9 | 122.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 195 | Q | 44.1 | Very low | 56.1 | Low | 193 Ų | 193 | 131.9 Ų | 131.9 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | 78.1 | 121.7 | 128.9 | -62.8 | 176.9 | -79 | 0 | 0 | 119.5 | |||||
| 196 | G | 44.9 | Very low | 56 | Low | 74 Ų | 74 | 129.6 Ų | 129.6 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 172.7 | 71.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T198 | G196-T198 PolarHBondContact O-N 2.87Š| ||
| 197 | D | 46 | Very low | 56 | Low | 154 Ų | 154 | 131.8 Ų | 131.8 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -56.7 | 127.1 | 164.1 | -57.2 | -89.6 | 0 | 0 | 0 | 109.8 | ||||
| 198 | T | 53.8 | Low | 55.9 | Low | 124 Ų | 124 | 134.9 Ų | 134.9 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | trans | -179.5 | 102.6 | 145.6 | -68.1 | 0 | 0 | 0 | 0 | 109.2 | G196 | G196-T198 PolarHBondContact O-N 2.87Š| ||
| 199 | E | 54.4 | Low | 55.7 | Low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | 33.2 | 122.7 | 131.4 | -53.5 | -175.4 | 101.7 | 0 | 0 | 120.7 | ||||
| 200 | D | 49.1 | Very low | 55.9 | Low | 155 Ų | 155 | 142.3 Ų | 142.3 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | 57.2 | 95.8 | 134.5 | -149.7 | -102.5 | 0 | 0 | 0 | 118.6 | ||||
| 201 | S | 54 | Low | 55.6 | Low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -164.7 | 103.1 | 148.5 | -82.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 202 | E | 49.5 | Very low | 56 | Low | 206 Ų | 206 | 141.8 Ų | 141.8 | 96% | 0.963 | 82% | 0.817 | S | S | * | * | trans | 5.5 | 116.2 | 139.8 | -154.9 | 174.8 | 103.7 | 0 | 0 | 116.4 | ||||
| 203 | G | 46.6 | Very low | 56.5 | Low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | -178 | 75.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 204 | A | 61 | Low | 57.2 | Low | 98 Ų | 98 | 138.7 Ų | 138.7 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 134.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 205 | P | 63.4 | Low | 57.9 | Low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 145.2 | 177.6 | 29.8 | -33.1 | 0 | 0 | 0 | 111 | ||
| 206 | P | 66 | Low | 59 | Low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 137.4 | -161.6 | 28.2 | -35 | 0 | 0 | 0 | 113.3 | K208 | P206-K208 PolarHBondContact O-N 3.39Š|
| 207 | L | 66 | Low | 60 | Low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 124.9 | 165.9 | -70 | 171.1 | 0 | 0 | 0 | 109.4 | R209 | L207-R209 PolarHBondContact O-N 3.49Å; L207-R209 VanDerWaalsContact O-N 3.11Å |
| 208 | K | 65.6 | Low | 60.7 | Low | 200 Ų | 200 | 144.6 Ų | 144.6 | 87% | 0.87 | 83% | 0.834 | S | S | * | * | trans | -55.9 | 114 | -179.5 | -62.3 | 177.2 | 179.7 | 178.8 | 0 | 109.7 | P206 I210 | P206-K208 PolarHBondContact O-N 3.39Å; K208-I210 PolarHBondContact O-N 2.85Å | ||
| 209 | R | 66 | Low | 61.1 | Low | 231 Ų | 231 | 145.7 Ų | 145.7 | 87% | 0.872 | 84% | 0.838 | S | S | * | * | trans | -69.2 | 120.5 | 175.8 | -63.5 | 174.9 | 65.3 | 166.3 | 0 | 108.9 | L207 C211 | L207-R209 PolarHBondContact O-N 3.49Å; L207-R209 VanDerWaalsContact O-N 3.11Å; R209-C211 PolarHBondContact O-N 3.08Å | ||
| 210 | I | 70.3 | Confident | 61.5 | Low | 157 Ų | 157 | 143.8 Ų | 143.8 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | trans | -73.3 | 115.3 | 161.3 | -74.3 | 75 | 0 | 0 | 0 | 106 | K208 P212 | K208-I210 PolarHBondContact O-N 2.85Å; I210-P212 WeakPolarHBondContact O-CD 3.34Å | ||
| 211 | C | 62.1 | Low | 62.2 | Low | 111 Ų | 111 | 143.2 Ų | 143.2 | 75% | 0.75 | 84% | 0.838 | S | S | * | * | trans | -78.5 | 124.8 | 171.2 | -63.2 | 0 | 0 | 0 | 0 | 109.4 | R209 | R209-C211 PolarHBondContact O-N 3.08Š| ||
| 212 | P | 67.2 | Low | 62.7 | Low | 127 Ų | 127 | 144.8 Ų | 144.8 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | -93.1 | 115.5 | 161.2 | 33.4 | -23.3 | 0 | 0 | 0 | 108.4 | I210 | I210-P212 WeakPolarHBondContact O-CD 3.34Š| ||
| 213 | N | 58 | Low | 63.6 | Low | 158 Ų | 158 | 140.7 Ų | 140.7 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -158.2 | 134.3 | 172.8 | -169.5 | -85.8 | 0 | 0 | 0 | 106.4 | ||||
| 214 | A | 64.6 | Low | 64.8 | Low | 75 Ų | 75 | 145.7 Ų | 145.7 | 62% | 0.62 | 84% | 0.839 | S | S | * | * | cis | -165.4 | 165.5 | -15.5 | 0 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 215 | P | 63.9 | Low | 65.1 | Low | 126 Ų | 126 | 149.4 Ų | 149.4 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -85.8 | 152.9 | -176.2 | 35.4 | -31.7 | 0 | 0 | 0 | 112 | ||||
| 216 | D | 67.6 | Low | 65.3 | Low | 157 Ų | 157 | 152 Ų | 152 | 84% | 0.84 | 85% | 0.847 | S | S | * | * | trans | -150.5 | 145 | 172.1 | -137 | -77 | 0 | 0 | 0 | 107.4 | ||||
| 217 | P | 65.9 | Low | 65.2 | Low | 192 Ų | 192 | 154.6 Ų | 154.6 | 100% | 1.247 | 85% | 0.851 | S | S | * | * | cis | -108 | 0 | 8.4 | 40.1 | -32.7 | 0 | 0 | 0 | 116.6 |
Retrieved 217 of 217 residues in 26.2 ms
(Link to these results)