| 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 | 54.3 | Low | 65.4 | Low | 249 Ų | 249 | 133.7 Ų | 133.7 | 100% | 1.227 | 72% | 0.719 | S | S | * | * | 0 | 88.6 | 0 | -62.8 | 173.3 | 76.9 | 0 | 0 | 108.8 | |||||
| 2 | S | 65.9 | Low | 66.7 | Low | 134 Ų | 134 | 126.8 Ų | 126.8 | 94% | 0.937 | 69% | 0.689 | S | S | * | * | trans | -140 | 103.9 | 178.8 | -167.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | G | 63.3 | Low | 68.3 | Low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | trans | -175.4 | 8.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 4 | R | 62.8 | Low | 69.7 | Low | 238 Ų | 238 | 123.6 Ų | 123.6 | 90% | 0.898 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -101.8 | -6 | -177.6 | -67.3 | -173.1 | 173.6 | -122.1 | -0.2 | 114.7 | ||
| 5 | S | 63.9 | Low | 71.1 | Confident | 99 Ų | 99 | 124.5 Ų | 124.5 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -78.7 | -37 | -171.1 | -158.8 | 0 | 0 | 0 | 0 | 114.6 | R7 A8 | S5-R7 VanDerWaalsContact C-N 3.3Å; S5-R7 PolarHBondContact O-N 3.26Å; S5-A8 PolarHBondContact O-N 3.21Å; S5-A8 VanDerWaalsContact O-N 3.13Å |
| 6 | G | 64.4 | Low | 72.5 | Confident | 55 Ų | 55 | 120.8 Ų | 120.8 | 57% | 0.567 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.8 | -30.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | A8 T10 | G6-A8 VanDerWaalsContact C-N 3.32Å; G6-A8 PolarHBondContact O-N 3.33Å; G6-T10 PolarHBondContact O-N 3.02Å; G6-T10 PolarHBondContact O-OG1 2.81Å |
| 7 | R | 61.8 | Low | 73.8 | Confident | 209 Ų | 209 | 118.4 Ų | 118.4 | 79% | 0.789 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75 | -22 | 179.3 | -168.4 | 175.7 | 179.1 | -169 | 0.5 | 113 | S5 T10 R11 | S5-R7 VanDerWaalsContact C-N 3.3Å; S5-R7 PolarHBondContact O-N 3.26Å; R7-T10 PolarHBondContact O-OG1 2.78Å; R7-R11 WeakPolarHBondContact O-CG 3.06Å |
| 8 | A | 68.3 | Low | 75 | Confident | 33 Ų | 33 | 117.8 Ų | 117.8 | 27% | 0.273 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -78 | -30.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S5 G6 R11 | S5-A8 PolarHBondContact O-N 3.21Å; S5-A8 VanDerWaalsContact O-N 3.13Å; G6-A8 VanDerWaalsContact C-N 3.32Å; G6-A8 PolarHBondContact O-N 3.33Å; A8-R11 VanDerWaalsContact CA-CZ 3.44Å; A8-R11 VanDerWaalsContact CB-CZ 3.5Å; A8-R11 WeakPolarHBondContact O-CG 3.49Å |
| 9 | E | 71.2 | Confident | 76.1 | Confident | 113 Ų | 113 | 117.4 Ų | 117.4 | 53% | 0.528 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -80.2 | -35 | 180 | -166.5 | 173.7 | 121.8 | 0 | 0 | 112.6 | R11 S12 R13 | E9-R11 PolarHBondContact O-N 2.99Å; E9-S12 PolarHBondContact O-OG 3.2Å; E9-R13 IonicContact OE1-CZ 3.91Å; E9-R13 IonicContact OE1-NE 2.87Å; E9-R13 IonicContact OE1-NH2 2.76Å; E9-R13 PolarHBondContact OE1-NH2 3.28Å; E9-R13 VanDerWaalsContact OE1-NH2 3.08Å |
| 10 | T | 70.4 | Confident | 77.2 | Confident | 94 Ų | 94 | 118 Ų | 118 | 58% | 0.577 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.7 | -31.2 | 179.7 | 51.3 | 0 | 0 | 0 | 0 | 113 | G6 R7 | G6-T10 PolarHBondContact O-N 3.02Å; G6-T10 PolarHBondContact O-OG1 2.81Å; R7-T10 PolarHBondContact O-OG1 2.78Å |
| 11 | R | 72.9 | Confident | 78.1 | Confident | 172 Ų | 172 | 116.3 Ų | 116.3 | 65% | 0.649 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.6 | -28.1 | 178 | 65.8 | 179.2 | -173.4 | -131.7 | 2.6 | 114.2 | R7 A8 E9 K15 | R7-R11 WeakPolarHBondContact O-CG 3.06Å; A8-R11 VanDerWaalsContact CA-CZ 3.44Å; A8-R11 VanDerWaalsContact CB-CZ 3.5Å; A8-R11 WeakPolarHBondContact O-CG 3.49Å; E9-R11 PolarHBondContact O-N 2.99Å; R11-K15 PolarHBondContact O-N 3.42Å |
| 12 | S | 81.2 | Confident | 80.2 | Confident | 51 Ų | 51 | 109.7 Ų | 109.7 | 36% | 0.357 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74.9 | -42.8 | 179.6 | 55 | 0 | 0 | 0 | 0 | 111.5 | E9 A14 K15 D16 | E9-S12 PolarHBondContact O-OG 3.2Å; S12-A14 PolarHBondContact O-N 3.05Å; S12-K15 PolarHBondContact O-N 3.5Å; S12-K15 VanDerWaalsContact O-N 3.11Å; S12-D16 PolarHBondContact O-N 2.77Å |
| 13 | R | 86.9 | Confident | 81.6 | Confident | 154 Ų | 154 | 105.2 Ų | 105.2 | 58% | 0.581 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -54.9 | -50.4 | 177.7 | -67.7 | 179.6 | -174.1 | -116.9 | 4.2 | 112.1 | E9 K15 D16 D17 | E9-R13 IonicContact OE1-CZ 3.91Å; E9-R13 IonicContact OE1-NE 2.87Å; E9-R13 IonicContact OE1-NH2 2.76Å; E9-R13 PolarHBondContact OE1-NH2 3.28Å; E9-R13 VanDerWaalsContact OE1-NH2 3.08Å; R13-K15 VanDerWaalsContact C-N 3.3Å; R13-K15 PolarHBondContact O-N 2.93Å; R13-D16 PolarHBondContact O-N 3.02Å; R13-D16 VanDerWaalsContact O-N 3.16Å; R13-D17 PolarHBondContact O-N 2.94Å |
| 14 | A | 88.7 | Confident | 83.2 | Confident | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.3 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | S12 I18 | S12-A14 PolarHBondContact O-N 3.05Å; A14-I18 WeakPolarHBondContact O-CD1 3.37Å; A14-I18 VanDerWaalsContact O-CG1 3.3Å; A14-I18 WeakPolarHBondContact O-CG1 3.29Å; A14-I18 PolarHBondContact O-N 3.06Å; A14-I18 VanDerWaalsContact O-N 3.15Å |
| 15 | K | 89.8 | Confident | 84.8 | Confident | 136 Ų | 136 | 95.9 Ų | 95.9 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.5 | -37.7 | 177.8 | -173.3 | 176.7 | 177.9 | 176.5 | 0 | 112.5 | R11 S12 R13 K19 | R11-K15 PolarHBondContact O-N 3.42Å; S12-K15 PolarHBondContact O-N 3.5Å; S12-K15 VanDerWaalsContact O-N 3.11Å; R13-K15 VanDerWaalsContact C-N 3.3Å; R13-K15 PolarHBondContact O-N 2.93Å; K15-K19 WeakPolarHBondContact O-CG 3.45Å; K15-K19 PolarHBondContact O-N 3.48Å |
| 16 | D | 94.4 | Very high | 86.3 | Confident | 66 Ų | 66 | 96.8 Ų | 96.8 | 35% | 0.353 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.8 | -34 | 178.6 | -67.4 | -35.6 | 0 | 0 | 0 | 112.2 | S12 R13 K19 K20 | S12-D16 PolarHBondContact O-N 2.77Å; R13-D16 PolarHBondContact O-N 3.02Å; R13-D16 VanDerWaalsContact O-N 3.16Å; D16-K19 WeakPolarHBondContact O-CB 3.46Å; D16-K19 PolarHBondContact O-N 3.43Å; D16-K19 IonicContact OD1-NZ 2.78Å; D16-K19 PolarHBondContact OD1-NZ 2.87Å; D16-K20 WeakPolarHBondContact O-CG 3.03Å; D16-K20 PolarHBondContact O-N 2.76Å |
| 17 | D | 93.8 | Very high | 87.7 | Confident | 80 Ų | 80 | 101.3 Ų | 101.3 | 43% | 0.428 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 174.4 | -69.9 | -15.2 | 0 | 0 | 0 | 111.5 | R13 K19 K20 V21 | R13-D17 PolarHBondContact O-N 2.94Å; D17-K19 PolarHBondContact O-N 3.36Å; D17-K20 WeakPolarHBondContact O-CB 3.46Å; D17-K20 PolarHBondContact O-N 3.47Å; D17-K20 IonicContact OD1-NZ 2.65Å; D17-K20 PolarHBondContact OD1-NZ 2.9Å; D17-V21 WeakPolarHBondContact O-CG2 3.36Å; D17-V21 PolarHBondContact O-N 2.86Å |
| 18 | I | 95.3 | Very high | 89.3 | Confident | 108 Ų | 108 | 95.6 Ų | 95.6 | 55% | 0.554 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.5 | -47.2 | 170.4 | -67.4 | 164 | 0 | 0 | 0 | 110.7 | A14 K20 V21 L22 | A14-I18 WeakPolarHBondContact O-CD1 3.37Å; A14-I18 VanDerWaalsContact O-CG1 3.3Å; A14-I18 WeakPolarHBondContact O-CG1 3.29Å; A14-I18 PolarHBondContact O-N 3.06Å; A14-I18 VanDerWaalsContact O-N 3.15Å; I18-K20 VanDerWaalsContact C-N 3.32Å; I18-K20 PolarHBondContact O-N 2.65Å; I18-V21 PolarHBondContact O-N 3.45Å; I18-L22 HydrophobicContact CG2-CD1 4.12Å; I18-L22 HydrophobicContact CG2-CG 4.42Å; I18-L22 WeakPolarHBondContact O-CG 3.15Å; I18-L22 PolarHBondContact O-N 3.08Å |
| 19 | K | 96.8 | Very high | 90.6 | Very high | 109 Ų | 109 | 103.7 Ų | 103.7 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -41 | 176.9 | -67.6 | 175.4 | -157.1 | 150.2 | 0 | 111.9 | K15 D16 D17 V21 L22 A23 | K15-K19 WeakPolarHBondContact O-CG 3.45Å; K15-K19 PolarHBondContact O-N 3.48Å; D16-K19 WeakPolarHBondContact O-CB 3.46Å; D16-K19 PolarHBondContact O-N 3.43Å; D16-K19 IonicContact OD1-NZ 2.78Å; D16-K19 PolarHBondContact OD1-NZ 2.87Å; D17-K19 PolarHBondContact O-N 3.36Å; K19-V21 VanDerWaalsContact C-N 3.35Å; K19-L22 PolarHBondContact O-N 2.85Å; K19-A23 VanDerWaalsContact O-CB 3.28Å; K19-A23 WeakPolarHBondContact O-CB 3.43Å; K19-A23 PolarHBondContact O-N 3.39Å |
| 20 | K | 97 | Very high | 91.7 | Very high | 129 Ų | 129 | 102.7 Ų | 102.7 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 176.4 | -72 | 173.5 | -162.2 | 155.6 | 0 | 111.3 | D16 D17 I18 A23 A24 | D16-K20 WeakPolarHBondContact O-CG 3.03Å; D16-K20 PolarHBondContact O-N 2.76Å; D17-K20 WeakPolarHBondContact O-CB 3.46Å; D17-K20 PolarHBondContact O-N 3.47Å; D17-K20 IonicContact OD1-NZ 2.65Å; D17-K20 PolarHBondContact OD1-NZ 2.9Å; I18-K20 VanDerWaalsContact C-N 3.32Å; I18-K20 PolarHBondContact O-N 2.65Å; K20-A23 PolarHBondContact O-N 2.89Å; K20-A24 VanDerWaalsContact O-CB 3.25Å; K20-A24 WeakPolarHBondContact O-CB 3.29Å; K20-A24 PolarHBondContact O-N 3.42Å |
| 21 | V | 97.6 | Very high | 92.9 | Very high | 84 Ų | 84 | 103.4 Ų | 103.4 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -49.5 | 176.9 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | D17 I18 K19 A23 A24 I25 | D17-V21 WeakPolarHBondContact O-CG2 3.36Å; D17-V21 PolarHBondContact O-N 2.86Å; I18-V21 PolarHBondContact O-N 3.45Å; K19-V21 VanDerWaalsContact C-N 3.35Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 3.41Å; V21-A24 PolarHBondContact O-N 3.48Å; V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.36Å; V21-I25 VanDerWaalsContact O-CG1 3.23Å; V21-I25 WeakPolarHBondContact O-CG1 3.03Å; V21-I25 PolarHBondContact O-N 3.12Å |
| 22 | L | 97.7 | Very high | 94 | Very high | 109 Ų | 109 | 97.5 Ų | 97.5 | 57% | 0.571 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.1 | -45.5 | 176.7 | -68.6 | 175.8 | 0 | 0 | 0 | 111.7 | I18 K19 A24 I25 E26 | I18-L22 HydrophobicContact CG2-CD1 4.12Å; I18-L22 HydrophobicContact CG2-CG 4.42Å; I18-L22 WeakPolarHBondContact O-CG 3.15Å; I18-L22 PolarHBondContact O-N 3.08Å; K19-L22 PolarHBondContact O-N 2.85Å; L22-A24 PolarHBondContact O-N 3.33Å; L22-I25 PolarHBondContact O-N 3.37Å; L22-E26 WeakPolarHBondContact O-CB 3.18Å; L22-E26 PolarHBondContact O-N 3.38Å |
| 23 | A | 96.6 | Very high | 94.7 | Very high | 40 Ų | 40 | 100.4 Ų | 100.4 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -37 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K19 K20 V21 E26 K27 | K19-A23 VanDerWaalsContact O-CB 3.28Å; K19-A23 WeakPolarHBondContact O-CB 3.43Å; K19-A23 PolarHBondContact O-N 3.39Å; K20-A23 PolarHBondContact O-N 2.89Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 3.41Å; A23-E26 PolarHBondContact O-N 3.12Å; A23-K27 VanDerWaalsContact O-CG 3.3Å; A23-K27 WeakPolarHBondContact O-CG 3.21Å; A23-K27 PolarHBondContact O-N 3Å |
| 24 | A | 96.3 | Very high | 95.1 | Very high | 49 Ų | 49 | 96.4 Ų | 96.4 | 41% | 0.405 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K20 V21 L22 E26 K27 V28 | K20-A24 VanDerWaalsContact O-CB 3.25Å; K20-A24 WeakPolarHBondContact O-CB 3.29Å; K20-A24 PolarHBondContact O-N 3.42Å; V21-A24 PolarHBondContact O-N 3.48Å; L22-A24 PolarHBondContact O-N 3.33Å; A24-E26 VanDerWaalsContact C-N 3.35Å; A24-K27 WeakPolarHBondContact O-CB 3.41Å; A24-K27 PolarHBondContact O-N 3.44Å; A24-V28 WeakPolarHBondContact O-CG2 3.3Å; A24-V28 PolarHBondContact O-N 3.29Å |
| 25 | I | 96.1 | Very high | 95.4 | Very high | 68 Ų | 68 | 99.5 Ų | 99.5 | 35% | 0.349 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 174.3 | -66.7 | 165 | 0 | 0 | 0 | 110 | V21 L22 K27 V28 R29 | V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.36Å; V21-I25 VanDerWaalsContact O-CG1 3.23Å; V21-I25 WeakPolarHBondContact O-CG1 3.03Å; V21-I25 PolarHBondContact O-N 3.12Å; L22-I25 PolarHBondContact O-N 3.37Å; I25-K27 VanDerWaalsContact C-N 3.3Å; I25-K27 PolarHBondContact O-N 2.97Å; I25-V28 PolarHBondContact O-N 3.39Å; I25-R29 HydrophobicContact CG2-CG 4.34Å; I25-R29 WeakPolarHBondContact O-CB 3.29Å; I25-R29 WeakPolarHBondContact O-CG 3.15Å; I25-R29 PolarHBondContact O-N 3.38Å |
| 26 | E | 95.6 | Very high | 95.7 | Very high | 118 Ų | 118 | 95.6 Ų | 95.6 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.5 | -40.3 | 177.2 | -171.2 | 176.7 | -170.2 | 0 | 0 | 111.8 | L22 A23 A24 R29 K30 | L22-E26 WeakPolarHBondContact O-CB 3.18Å; L22-E26 PolarHBondContact O-N 3.38Å; A23-E26 PolarHBondContact O-N 3.12Å; A24-E26 VanDerWaalsContact C-N 3.35Å; E26-R29 PolarHBondContact O-N 3.4Å; E26-K30 PolarHBondContact O-N 3.11Å |
| 27 | K | 93.3 | Very high | 95.7 | Very high | 150 Ų | 150 | 96.1 Ų | 96.1 | 65% | 0.652 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61 | -46.1 | 173.7 | -75.3 | 172.5 | -178.3 | 177.6 | 0 | 112.2 | A23 A24 I25 K30 W31 | A23-K27 VanDerWaalsContact O-CG 3.3Å; A23-K27 WeakPolarHBondContact O-CG 3.21Å; A23-K27 PolarHBondContact O-N 3Å; A24-K27 WeakPolarHBondContact O-CB 3.41Å; A24-K27 PolarHBondContact O-N 3.44Å; I25-K27 VanDerWaalsContact C-N 3.3Å; I25-K27 PolarHBondContact O-N 2.97Å; K27-K30 PolarHBondContact O-N 2.98Å; K27-W31 PolarHBondContact O-NE1 3.21Å |
| 28 | V | 95.6 | Very high | 95.8 | Very high | 89 Ų | 89 | 95.4 Ų | 95.4 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.6 | -33.5 | 179.9 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | A24 I25 K30 W31 | A24-V28 WeakPolarHBondContact O-CG2 3.3Å; A24-V28 PolarHBondContact O-N 3.29Å; I25-V28 PolarHBondContact O-N 3.39Å; V28-K30 PolarHBondContact O-N 3.26Å; V28-W31 VanDerWaalsContact O-CB 3.27Å; V28-W31 WeakPolarHBondContact O-CB 3.45Å; V28-W31 PolarHBondContact O-N 2.96Å |
| 29 | R | 95.5 | Very high | 95.6 | Very high | 203 Ų | 203 | 93.6 Ų | 93.6 | 77% | 0.766 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.7 | -25.6 | 174.3 | -81.9 | -174.4 | 159.9 | 119.5 | 3.9 | 113.5 | I25 E26 W31 | I25-R29 HydrophobicContact CG2-CG 4.34Å; I25-R29 WeakPolarHBondContact O-CB 3.29Å; I25-R29 WeakPolarHBondContact O-CG 3.15Å; I25-R29 PolarHBondContact O-N 3.38Å; E26-R29 PolarHBondContact O-N 3.4Å; R29-W31 VanDerWaalsContact C-N 3.26Å; R29-W31 PolarHBondContact O-N 3.48Å |
| 30 | K | 93.9 | Very high | 95.4 | Very high | 92 Ų | 92 | 96.3 Ų | 96.3 | 40% | 0.4 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 14.1 | 174 | -63.9 | -174.9 | 176.7 | -166.3 | 0 | 112.9 | E26 K27 V28 V51 D53 | E26-K30 PolarHBondContact O-N 3.11Å; K27-K30 PolarHBondContact O-N 2.98Å; V28-K30 PolarHBondContact O-N 3.26Å; K30-V51 WeakPolarHBondContact O-CB 3.45Å; K30-V51 WeakPolarHBondContact O-CG2 3.37Å; K30-V51 PolarHBondContact O-N 2.88Å; K30-D53 IonicContact NZ-OD2 3.94Å; K30-D53 PolarHBondContact NZ-OD2 2.9Å |
| 31 | W | 96.1 | Very high | 95.2 | Very high | 109 Ų | 109 | 94 Ų | 94 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 137.1 | 175.4 | -71.9 | 25 | 0 | 0 | 0 | 110 | K27 V28 R29 W48 V49 P50 | K27-W31 PolarHBondContact O-NE1 3.21Å; V28-W31 VanDerWaalsContact O-CB 3.27Å; V28-W31 WeakPolarHBondContact O-CB 3.45Å; V28-W31 PolarHBondContact O-N 2.96Å; R29-W31 VanDerWaalsContact C-N 3.26Å; R29-W31 PolarHBondContact O-N 3.48Å; W31-W48 HydrophobicContact CB-CB 4.37Å; W31-W48 HydrophobicContact CB-CE3 4.14Å; W31-W48 HydrophobicContact CD2-CB 4.44Å; W31-W48 HydrophobicContact CE3-CB 3.49Å; W31-W48 VanDerWaalsContact CE3-CB 3.49Å; W31-W48 HydrophobicContact CZ3-CB 4.15Å; W31-V49 WeakPolarHBondContact CA-O 3.23Å; W31-P50 HydrophobicContact CZ2-CG 4.24Å |
| 32 | E | 95.3 | Very high | 94.9 | Very high | 49 Ų | 49 | 95.6 Ų | 95.6 | 23% | 0.229 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 141 | 175.2 | 60.6 | 175.7 | -174.4 | 0 | 0 | 111 | K34 W48 V49 V51 | E32-K34 VanDerWaalsContact CD-CE 3.49Å; E32-K34 HydrophobicContact CG-CG 3.88Å; E32-K34 PolarHBondContact O-N 3.2Å; E32-K34 IonicContact OE1-NZ 3.08Å; E32-K34 PolarHBondContact OE1-NZ 3.38Å; E32-K34 WeakPolarHBondContact OE2-CE 3.27Å; E32-K34 IonicContact OE2-NZ 2.9Å; E32-K34 PolarHBondContact OE2-NZ 3.45Å; E32-W48 WeakPolarHBondContact O-CA 3.5Å; E32-V49 PolarHBondContact N-O 3.46Å; E32-V49 PolarHBondContact O-N 2.91Å; E32-V51 HydrophobicContact CB-CG2 3.44Å; E32-V51 VanDerWaalsContact CB-CG2 3.44Å; E32-V51 HydrophobicContact CG-CG2 3.35Å |
| 33 | K | 96.4 | Very high | 94.8 | Very high | 111 Ų | 111 | 95.5 Ų | 95.5 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 113.1 | 173.1 | -172.2 | 172.3 | 176.7 | 176.5 | 0 | 108.8 | F46 W48 | K33-F46 HydrophobicContact CD-CB 4.17Å; K33-F46 HydrophobicContact CD-CD1 4.06Å; K33-F46 HydrophobicContact CD-CE1 4.44Å; K33-F46 HydrophobicContact CD-CG 4.06Å; K33-F46 HydrophobicContact CG-CB 3.83Å; K33-F46 HydrophobicContact CG-CD1 3.47Å; K33-F46 VanDerWaalsContact CG-CD1 3.47Å; K33-F46 HydrophobicContact CG-CE1 4.06Å; K33-F46 HydrophobicContact CG-CG 3.82Å; K33-W48 HydrophobicContact CB-CD2 4.35Å; K33-W48 HydrophobicContact CB-CE3 4.05Å; K33-W48 HydrophobicContact CB-CH2 4.17Å; K33-W48 HydrophobicContact CB-CZ2 4.45Å; K33-W48 HydrophobicContact CB-CZ3 3.96Å; K33-W48 HydrophobicContact CD-CZ2 4.4Å |
| 34 | K | 94.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 100.2 Ų | 100.2 | 30% | 0.304 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.7 | 179.1 | -75 | -74.4 | 166.1 | 77.1 | 0 | 111.1 | E32 V36 F46 K47 V49 | E32-K34 VanDerWaalsContact CD-CE 3.49Å; E32-K34 HydrophobicContact CG-CG 3.88Å; E32-K34 PolarHBondContact O-N 3.2Å; E32-K34 IonicContact OE1-NZ 3.08Å; E32-K34 PolarHBondContact OE1-NZ 3.38Å; E32-K34 WeakPolarHBondContact OE2-CE 3.27Å; E32-K34 IonicContact OE2-NZ 2.9Å; E32-K34 PolarHBondContact OE2-NZ 3.45Å; K34-V36 PolarHBondContact O-N 3.36Å; K34-F46 WeakPolarHBondContact O-CA 3.5Å; K34-K47 PolarHBondContact N-O 3.08Å; K34-K47 PolarHBondContact O-N 3.35Å; K34-V49 HydrophobicContact CB-CG2 4.22Å |
| 35 | W | 95.9 | Very high | 94.7 | Very high | 121 Ų | 121 | 102.3 Ų | 102.3 | 46% | 0.458 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 120.1 | 170.9 | -73.5 | 116 | 0 | 0 | 0 | 109.7 | R44 I45 F46 | W35-R44 HydrophobicContact CB-CB 4.38Å; W35-R44 VanDerWaalsContact CB-NH2 3.33Å; W35-R44 HydrophobicContact CD2-CB 4.47Å; W35-R44 HydrophobicContact CE3-CB 3.9Å; W35-R44 WeakPolarHBondContact CZ3-O 3.42Å; W35-I45 CarbonylContact C-O 3.57Å; W35-I45 WeakPolarHBondContact CA-O 3.28Å; W35-I45 VanDerWaalsContact CE3-C 3.48Å; W35-F46 AromaticContact CD1-CE1 3.54Å; W35-F46 AromaticContact CD1-CZ 3.94Å; W35-F46 AromaticContact CD2-CD1 3.68Å; W35-F46 HydrophobicContact CD2-CD1 3.68Å; W35-F46 HydrophobicContact CD2-CD2 4.07Å; W35-F46 AromaticContact CD2-CE1 3.59Å; W35-F46 HydrophobicContact CD2-CE1 3.59Å; W35-F46 HydrophobicContact CD2-CE2 4Å; W35-F46 AromaticContact CD2-CG 3.96Å; W35-F46 HydrophobicContact CD2-CG 3.96Å; W35-F46 AromaticContact CD2-CZ 3.78Å; W35-F46 HydrophobicContact CD2-CZ 3.78Å; W35-F46 AromaticContact CE2-CD1 3.9Å; W35-F46 AromaticContact CE2-CD2 3.88Å; W35-F46 AromaticContact CE2-CE1 3.36Å; W35-F46 AromaticContact CE2-CE2 3.34Å; W35-F46 AromaticContact CE2-CZ 3.06Å; W35-F46 HydrophobicContact CE3-CD1 4.04Å; W35-F46 AromaticContact CE3-CD2 3.92Å; W35-F46 HydrophobicContact CE3-CD2 3.92Å; W35-F46 HydrophobicContact CE3-CE1 4.34Å; W35-F46 HydrophobicContact CE3-CE2 4.24Å; W35-F46 AromaticContact CE3-CG 3.86Å; W35-F46 HydrophobicContact CE3-CG 3.86Å; W35-F46 HydrophobicContact CE3-CZ 4.45Å; W35-F46 AromaticContact CG-CD1 3.95Å; W35-F46 HydrophobicContact CG-CD1 3.95Å; W35-F46 AromaticContact CG-CE1 3.75Å; W35-F46 HydrophobicContact CG-CE1 3.75Å; W35-F46 HydrophobicContact CG-CZ 4.3Å; W35-F46 AromaticContact CH2-CD2 3.41Å; W35-F46 HydrophobicContact CH2-CD2 3.41Å; W35-F46 VanDerWaalsContact CH2-CD2 3.41Å; W35-F46 AromaticContact CH2-CE2 3.28Å; W35-F46 HydrophobicContact CH2-CE2 3.28Å; W35-F46 HydrophobicContact CH2-CG 4.2Å; W35-F46 AromaticContact CH2-CZ 3.97Å; W35-F46 HydrophobicContact CH2-CZ 3.97Å; W35-F46 HydrophobicContact CZ2-CD1 4.45Å; W35-F46 AromaticContact CZ2-CD2 3.59Å; W35-F46 HydrophobicContact CZ2-CD2 3.59Å; W35-F46 AromaticContact CZ2-CE1 3.96Å; W35-F46 HydrophobicContact CZ2-CE1 3.96Å; W35-F46 AromaticContact CZ2-CE2 2.97Å; W35-F46 HydrophobicContact CZ2-CE2 2.97Å; W35-F46 HydrophobicContact CZ2-CG 4.32Å; W35-F46 AromaticContact CZ2-CZ 3.21Å; W35-F46 HydrophobicContact CZ2-CZ 3.21Å; W35-F46 AromaticContact CZ3-CD2 3.58Å; W35-F46 HydrophobicContact CZ3-CD2 3.58Å; W35-F46 AromaticContact CZ3-CE2 3.91Å; W35-F46 HydrophobicContact CZ3-CE2 3.91Å; W35-F46 AromaticContact CZ3-CG 3.97Å; W35-F46 HydrophobicContact CZ3-CG 3.97Å; W35-F46 AromaticContact NE1-CE1 3.29Å; W35-F46 VanDerWaalsContact NE1-CE1 3.29Å; W35-F46 AromaticContact NE1-CE2 3.95Å; W35-F46 AromaticContact NE1-CZ 3.18Å |
| 36 | V | 94.9 | Very high | 94.8 | Very high | 53 Ų | 53 | 103.1 Ų | 103.1 | 32% | 0.321 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.2 | 176.8 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | K34 R44 I45 K47 V49 | K34-V36 PolarHBondContact O-N 3.36Å; V36-R44 CarbonylContact O-C 3.56Å; V36-R44 WeakPolarHBondContact O-CA 3.25Å; V36-I45 PolarHBondContact N-O 3.5Å; V36-I45 PolarHBondContact O-N 3.48Å; V36-K47 HydrophobicContact CB-CB 4.45Å; V36-K47 HydrophobicContact CG2-CB 3.9Å; V36-V49 HydrophobicContact CG2-CG2 4.43Å |
| 37 | T | 96.1 | Very high | 94.8 | Very high | 78 Ų | 78 | 103.4 Ų | 103.4 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 141.3 | 177.6 | -51.3 | 0 | 0 | 0 | 0 | 110.5 | T41 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.5Å; T37-L43 WeakPolarHBondContact CA-O 3.33Å; T37-L43 WeakPolarHBondContact CG2-O 3.32Å |
| 38 | V | 95.6 | Very high | 95 | Very high | 64 Ų | 64 | 103.2 Ų | 103.2 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | trans | -97.6 | 112.3 | -179.3 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | T41 L43 I45 | V38-T41 PolarHBondContact O-N 3.26Å; V38-L43 PolarHBondContact N-O 3.04Å; V38-I45 HydrophobicContact CG2-CB 4.02Å; V38-I45 HydrophobicContact CG2-CD1 3.35Å; V38-I45 HydrophobicContact CG2-CG1 3.47Å; V38-I45 VanDerWaalsContact CG2-CG1 3.47Å | ||
| 39 | G | 90.8 | Very high | 94.9 | Very high | 71 Ų | 71 | 101.2 Ų | 101.2 | 73% | 0.732 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | -136.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 40 | D | 91.7 | Very high | 94.9 | Very high | 165 Ų | 165 | 95.2 Ų | 95.2 | 88% | 0.882 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 1.5 | 177.4 | 61.7 | -23.9 | 0 | 0 | 0 | 113.6 | ||
| 41 | T | 93.4 | Very high | 94.8 | Very high | 80 Ų | 80 | 92 Ų | 92 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -86.3 | 159.8 | -178.7 | -50.1 | 0 | 0 | 0 | 0 | 111.9 | T37 V38 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.5Å; V38-T41 PolarHBondContact O-N 3.26Å; T41-L43 HydrophobicContact CG2-CB 4.04Å; T41-L43 PolarHBondContact O-N 3.45Å |
| 42 | S | 91 | Very high | 94.1 | Very high | 118 Ų | 118 | 91.6 Ų | 91.6 | 83% | 0.825 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -71.3 | -2.6 | 171.6 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 43 | L | 95.8 | Very high | 92.5 | Very high | 107 Ų | 107 | 93.2 Ų | 93.2 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | trans | -72.7 | 137.8 | -177 | -149.5 | 75.2 | 0 | 0 | 0 | 111 | T37 V38 T41 | T37-L43 WeakPolarHBondContact CA-O 3.33Å; T37-L43 WeakPolarHBondContact CG2-O 3.32Å; V38-L43 PolarHBondContact N-O 3.04Å; T41-L43 HydrophobicContact CG2-CB 4.04Å; T41-L43 PolarHBondContact O-N 3.45Å | ||
| 44 | R | 94.9 | Very high | 90.8 | Very high | 139 Ų | 139 | 92.8 Ų | 92.8 | 53% | 0.525 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.9 | 178.3 | -61.6 | 172.5 | 72.2 | -164.9 | 5.3 | 109.5 | W35 V36 | W35-R44 HydrophobicContact CB-CB 4.38Å; W35-R44 VanDerWaalsContact CB-NH2 3.33Å; W35-R44 HydrophobicContact CD2-CB 4.47Å; W35-R44 HydrophobicContact CE3-CB 3.9Å; W35-R44 WeakPolarHBondContact CZ3-O 3.42Å; V36-R44 CarbonylContact O-C 3.56Å; V36-R44 WeakPolarHBondContact O-CA 3.25Å |
| 45 | I | 96.7 | Very high | 88.9 | Confident | 93 Ų | 93 | 96.9 Ų | 96.9 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146.4 | 176.9 | -64.1 | -179.7 | 0 | 0 | 0 | 109.1 | W35 V36 V38 K47 | W35-I45 CarbonylContact C-O 3.57Å; W35-I45 WeakPolarHBondContact CA-O 3.28Å; W35-I45 VanDerWaalsContact CE3-C 3.48Å; V36-I45 PolarHBondContact N-O 3.5Å; V36-I45 PolarHBondContact O-N 3.48Å; V38-I45 HydrophobicContact CG2-CB 4.02Å; V38-I45 HydrophobicContact CG2-CD1 3.35Å; V38-I45 HydrophobicContact CG2-CG1 3.47Å; V38-I45 VanDerWaalsContact CG2-CG1 3.47Å; I45-K47 PolarHBondContact O-N 2.94Å |
| 46 | F | 96.7 | Very high | 86.9 | Confident | 85 Ų | 85 | 95 Ų | 95 | 37% | 0.373 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 122.2 | 170.9 | -78.7 | -65 | 0 | 0 | 0 | 111.5 | K33 K34 W35 | K33-F46 HydrophobicContact CD-CB 4.17Å; K33-F46 HydrophobicContact CD-CD1 4.06Å; K33-F46 HydrophobicContact CD-CE1 4.44Å; K33-F46 HydrophobicContact CD-CG 4.06Å; K33-F46 HydrophobicContact CG-CB 3.83Å; K33-F46 HydrophobicContact CG-CD1 3.47Å; K33-F46 VanDerWaalsContact CG-CD1 3.47Å; K33-F46 HydrophobicContact CG-CE1 4.06Å; K33-F46 HydrophobicContact CG-CG 3.82Å; K34-F46 WeakPolarHBondContact O-CA 3.5Å; W35-F46 AromaticContact CD1-CE1 3.54Å; W35-F46 AromaticContact CD1-CZ 3.94Å; W35-F46 AromaticContact CD2-CD1 3.68Å; W35-F46 HydrophobicContact CD2-CD1 3.68Å; W35-F46 HydrophobicContact CD2-CD2 4.07Å; W35-F46 AromaticContact CD2-CE1 3.59Å; W35-F46 HydrophobicContact CD2-CE1 3.59Å; W35-F46 HydrophobicContact CD2-CE2 4Å; W35-F46 AromaticContact CD2-CG 3.96Å; W35-F46 HydrophobicContact CD2-CG 3.96Å; W35-F46 AromaticContact CD2-CZ 3.78Å; W35-F46 HydrophobicContact CD2-CZ 3.78Å; W35-F46 AromaticContact CE2-CD1 3.9Å; W35-F46 AromaticContact CE2-CD2 3.88Å; W35-F46 AromaticContact CE2-CE1 3.36Å; W35-F46 AromaticContact CE2-CE2 3.34Å; W35-F46 AromaticContact CE2-CZ 3.06Å; W35-F46 HydrophobicContact CE3-CD1 4.04Å; W35-F46 AromaticContact CE3-CD2 3.92Å; W35-F46 HydrophobicContact CE3-CD2 3.92Å; W35-F46 HydrophobicContact CE3-CE1 4.34Å; W35-F46 HydrophobicContact CE3-CE2 4.24Å; W35-F46 AromaticContact CE3-CG 3.86Å; W35-F46 HydrophobicContact CE3-CG 3.86Å; W35-F46 HydrophobicContact CE3-CZ 4.45Å; W35-F46 AromaticContact CG-CD1 3.95Å; W35-F46 HydrophobicContact CG-CD1 3.95Å; W35-F46 AromaticContact CG-CE1 3.75Å; W35-F46 HydrophobicContact CG-CE1 3.75Å; W35-F46 HydrophobicContact CG-CZ 4.3Å; W35-F46 AromaticContact CH2-CD2 3.41Å; W35-F46 HydrophobicContact CH2-CD2 3.41Å; W35-F46 VanDerWaalsContact CH2-CD2 3.41Å; W35-F46 AromaticContact CH2-CE2 3.28Å; W35-F46 HydrophobicContact CH2-CE2 3.28Å; W35-F46 HydrophobicContact CH2-CG 4.2Å; W35-F46 AromaticContact CH2-CZ 3.97Å; W35-F46 HydrophobicContact CH2-CZ 3.97Å; W35-F46 HydrophobicContact CZ2-CD1 4.45Å; W35-F46 AromaticContact CZ2-CD2 3.59Å; W35-F46 HydrophobicContact CZ2-CD2 3.59Å; W35-F46 AromaticContact CZ2-CE1 3.96Å; W35-F46 HydrophobicContact CZ2-CE1 3.96Å; W35-F46 AromaticContact CZ2-CE2 2.97Å; W35-F46 HydrophobicContact CZ2-CE2 2.97Å; W35-F46 HydrophobicContact CZ2-CG 4.32Å; W35-F46 AromaticContact CZ2-CZ 3.21Å; W35-F46 HydrophobicContact CZ2-CZ 3.21Å; W35-F46 AromaticContact CZ3-CD2 3.58Å; W35-F46 HydrophobicContact CZ3-CD2 3.58Å; W35-F46 AromaticContact CZ3-CE2 3.91Å; W35-F46 HydrophobicContact CZ3-CE2 3.91Å; W35-F46 AromaticContact CZ3-CG 3.97Å; W35-F46 HydrophobicContact CZ3-CG 3.97Å; W35-F46 AromaticContact NE1-CE1 3.29Å; W35-F46 VanDerWaalsContact NE1-CE1 3.29Å; W35-F46 AromaticContact NE1-CE2 3.95Å; W35-F46 AromaticContact NE1-CZ 3.18Å |
| 47 | K | 96.3 | Very high | 84.8 | Confident | 124 Ų | 124 | 97.5 Ų | 97.5 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.2 | 169.6 | -167 | 167.5 | 74.1 | 175 | 0 | 109.6 | K34 V36 I45 V49 | K34-K47 PolarHBondContact N-O 3.08Å; K34-K47 PolarHBondContact O-N 3.35Å; V36-K47 HydrophobicContact CB-CB 4.45Å; V36-K47 HydrophobicContact CG2-CB 3.9Å; I45-K47 PolarHBondContact O-N 2.94Å; K47-V49 HydrophobicContact CB-CG2 4.45Å; K47-V49 PolarHBondContact O-N 2.87Å |
| 48 | W | 96.9 | Very high | 82.6 | Confident | 147 Ų | 147 | 102.3 Ų | 102.3 | 56% | 0.557 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 119.7 | 168.3 | -65.2 | 100.3 | 0 | 0 | 0 | 109 | W31 E32 K33 | W31-W48 HydrophobicContact CB-CB 4.37Å; W31-W48 HydrophobicContact CB-CE3 4.14Å; W31-W48 HydrophobicContact CD2-CB 4.44Å; W31-W48 HydrophobicContact CE3-CB 3.49Å; W31-W48 VanDerWaalsContact CE3-CB 3.49Å; W31-W48 HydrophobicContact CZ3-CB 4.15Å; E32-W48 WeakPolarHBondContact O-CA 3.5Å; K33-W48 HydrophobicContact CB-CD2 4.35Å; K33-W48 HydrophobicContact CB-CE3 4.05Å; K33-W48 HydrophobicContact CB-CH2 4.17Å; K33-W48 HydrophobicContact CB-CZ2 4.45Å; K33-W48 HydrophobicContact CB-CZ3 3.96Å; K33-W48 HydrophobicContact CD-CZ2 4.4Å |
| 49 | V | 94.9 | Very high | 80.3 | Confident | 47 Ų | 47 | 106.9 Ų | 106.9 | 29% | 0.285 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.7 | -176.8 | -171 | 0 | 0 | 0 | 0 | 108.3 | W31 E32 K34 V36 K47 V51 | W31-V49 WeakPolarHBondContact CA-O 3.23Å; E32-V49 PolarHBondContact N-O 3.46Å; E32-V49 PolarHBondContact O-N 2.91Å; K34-V49 HydrophobicContact CB-CG2 4.22Å; V36-V49 HydrophobicContact CG2-CG2 4.43Å; K47-V49 HydrophobicContact CB-CG2 4.45Å; K47-V49 PolarHBondContact O-N 2.87Å; V49-V51 PolarHBondContact O-N 3.24Å |
| 50 | P | 95 | Very high | 78.3 | Confident | 77 Ų | 77 | 106.2 Ų | 106.2 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 129.8 | 176.6 | -22.6 | 32.7 | 0 | 0 | 0 | 111.7 | W31 T52 | W31-P50 HydrophobicContact CZ2-CG 4.24Å; P50-T52 PolarHBondContact O-N 3.22Å |
| 51 | V | 92 | Very high | 76.2 | Confident | 25 Ų | 25 | 105.8 Ų | 105.8 | 15% | 0.152 | 52% | 0.521 | C | S | . | . | trans | -82.9 | 112.4 | 170.6 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | K30 E32 V49 Q56 | K30-V51 WeakPolarHBondContact O-CB 3.45Å; K30-V51 WeakPolarHBondContact O-CG2 3.37Å; K30-V51 PolarHBondContact O-N 2.88Å; E32-V51 HydrophobicContact CB-CG2 3.44Å; E32-V51 VanDerWaalsContact CB-CG2 3.44Å; E32-V51 HydrophobicContact CG-CG2 3.35Å; V49-V51 PolarHBondContact O-N 3.24Å; V51-Q56 HydrophobicContact CG1-CG 4.07Å | ||
| 52 | T | 80.2 | Confident | 74 | Confident | 99 Ų | 99 | 106.7 Ų | 106.7 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | trans | -79.2 | 124.8 | 162.8 | 54.9 | 0 | 0 | 0 | 0 | 108.1 | P50 T54 | P50-T52 PolarHBondContact O-N 3.22Å; T52-T54 PolarHBondContact O-N 2.78Å; T52-T54 PolarHBondContact OG1-OG1 2.87Å | ||
| 53 | D | 63.2 | Low | 72.3 | Confident | 84 Ų | 84 | 108.1 Ų | 108.1 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -3 | -171.7 | -91.9 | -43.2 | 0 | 0 | 0 | 115.5 | K30 K55 Q56 | K30-D53 IonicContact NZ-OD2 3.94Å; K30-D53 PolarHBondContact NZ-OD2 2.9Å; D53-K55 PolarHBondContact O-N 3.44Å; D53-Q56 PolarHBondContact O-N 3.41Å |
| 54 | T | 59.1 | Low | 69.8 | Low | 101 Ų | 101 | 107.9 Ų | 107.9 | 62% | 0.62 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.5 | 175.3 | -1.7 | 0 | 0 | 0 | 0 | 114.4 | T52 | T52-T54 PolarHBondContact O-N 2.78Å; T52-T54 PolarHBondContact OG1-OG1 2.87Å |
| 55 | K | 55 | Low | 67.5 | Low | 157 Ų | 157 | 104.5 Ų | 104.5 | 68% | 0.683 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -17.5 | -178.8 | -62.5 | -165.6 | 179.5 | -171.5 | 0 | 114.8 | D53 I57 Y58 R59 | D53-K55 PolarHBondContact O-N 3.44Å; K55-I57 PolarHBondContact O-N 3.24Å; K55-Y58 PolarHBondContact O-N 3.49Å; K55-Y58 VanDerWaalsContact O-N 3.08Å; K55-R59 PolarHBondContact O-N 3.17Å; K55-R59 VanDerWaalsContact O-N 3.12Å |
| 56 | Q | 54 | Low | 65 | Low | 80 Ų | 80 | 108.2 Ų | 108.2 | 37% | 0.374 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.5 | -29.7 | 177.3 | -73.5 | -78.2 | 31.6 | 0 | 0 | 111.5 | V51 D53 Y58 R59 S60 | V51-Q56 HydrophobicContact CG1-CG 4.07Å; D53-Q56 PolarHBondContact O-N 3.41Å; Q56-Y58 PolarHBondContact O-N 3.43Å; Q56-Y58 VanDerWaalsContact O-N 3.12Å; Q56-R59 PolarHBondContact O-N 2.88Å; Q56-S60 WeakPolarHBondContact O-CB 3.16Å; Q56-S60 PolarHBondContact O-N 2.91Å; Q56-S60 PolarHBondContact O-OG 2.81Å; Q56-S60 PolarHBondContact OE1-OG 3.4Å |
| 57 | I | 52.3 | Low | 62.6 | Low | 107 Ų | 107 | 111.1 Ų | 111.1 | 55% | 0.549 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.4 | -26.3 | 173.6 | -56.8 | 169.5 | 0 | 0 | 0 | 112.1 | K55 K61 | K55-I57 PolarHBondContact O-N 3.24Å; I57-K61 VanDerWaalsContact O-CD 3.29Å; I57-K61 WeakPolarHBondContact O-CD 3.3Å; I57-K61 WeakPolarHBondContact O-CE 3.38Å; I57-K61 VanDerWaalsContact O-CG 3.29Å; I57-K61 WeakPolarHBondContact O-CG 3.49Å |
| 58 | Y | 48.1 | Very low | 60.3 | Low | 179 Ų | 179 | 116.9 Ų | 116.9 | 70% | 0.702 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -100.8 | -29.8 | -178.7 | -65.9 | -85.8 | 0 | 0 | 0 | 113.5 | K55 Q56 | K55-Y58 PolarHBondContact O-N 3.49Å; K55-Y58 VanDerWaalsContact O-N 3.08Å; Q56-Y58 PolarHBondContact O-N 3.43Å; Q56-Y58 VanDerWaalsContact O-N 3.12Å |
| 59 | R | 49 | Very low | 57.9 | Low | 159 Ų | 159 | 112.8 Ų | 112.8 | 60% | 0.6 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -85.3 | -31.3 | 177 | -172.7 | 178.9 | -76.9 | -154 | -5.9 | 113.1 | K55 Q56 K61 S62 | K55-R59 PolarHBondContact O-N 3.17Å; K55-R59 VanDerWaalsContact O-N 3.12Å; Q56-R59 PolarHBondContact O-N 2.88Å; R59-K61 VanDerWaalsContact C-N 3.25Å; R59-K61 PolarHBondContact O-N 3.22Å; R59-S62 PolarHBondContact O-OG 3.32Å |
| 60 | S | 47.6 | Very low | 55.6 | Low | 58 Ų | 58 | 118.6 Ų | 118.6 | 41% | 0.406 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -75 | -13.2 | 178.8 | -57.6 | 0 | 0 | 0 | 0 | 113.5 | Q56 S62 I63 T64 | Q56-S60 WeakPolarHBondContact O-CB 3.16Å; Q56-S60 PolarHBondContact O-N 2.91Å; Q56-S60 PolarHBondContact O-OG 2.81Å; Q56-S60 PolarHBondContact OE1-OG 3.4Å; S60-S62 PolarHBondContact O-N 2.85Å; S60-I63 PolarHBondContact O-N 2.85Å; S60-T64 PolarHBondContact O-N 3.39Å |
| 61 | K | 48.2 | Very low | 53 | Low | 156 Ų | 156 | 124.4 Ų | 124.4 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -68.7 | -12.8 | 176.5 | -76 | 177.8 | -179.6 | -174.7 | 0 | 114.3 | I57 R59 | I57-K61 VanDerWaalsContact O-CD 3.29Å; I57-K61 WeakPolarHBondContact O-CD 3.3Å; I57-K61 WeakPolarHBondContact O-CE 3.38Å; I57-K61 VanDerWaalsContact O-CG 3.29Å; I57-K61 WeakPolarHBondContact O-CG 3.49Å; R59-K61 VanDerWaalsContact C-N 3.25Å; R59-K61 PolarHBondContact O-N 3.22Å |
| 62 | S | 47.6 | Very low | 50.7 | Low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -104 | 0.9 | 178.4 | 67.6 | 0 | 0 | 0 | 0 | 114.9 | R59 S60 | R59-S62 PolarHBondContact O-OG 3.32Å; S60-S62 PolarHBondContact O-N 2.85Å |
| 63 | I | 55.2 | Low | 48.7 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | -1.3 | -177.5 | -86.9 | 174 | 0 | 0 | 0 | 115.1 | S60 | S60-I63 PolarHBondContact O-N 2.85Š|
| 64 | T | 43.1 | Very low | 48.1 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 63% | 0.632 | 70% | 0.703 | S | S | * | * | trans | -143.9 | 96.5 | 172.7 | -51.9 | 0 | 0 | 0 | 0 | 109.8 | S60 | S60-T64 PolarHBondContact O-N 3.39Š| ||
| 65 | G | 45.7 | Very low | 47.2 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | -56.4 | 140.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 66 | E | 45 | Very low | 46.5 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | 32.1 | 96.4 | 159.6 | -75.1 | -172.5 | 84.3 | 0 | 0 | 118.1 | ||||
| 67 | V | 46 | Very low | 46 | Very low | 145 Ų | 145 | 140 Ų | 140 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | trans | -138.4 | 74.2 | 134.4 | -165 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 68 | R | 48.3 | Very low | 45.4 | Very low | 246 Ų | 246 | 141.3 Ų | 141.3 | 93% | 0.928 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -142.7 | 93.7 | 151 | -161.1 | -177.4 | -59.7 | -128.9 | 0.8 | 109.4 | ||
| 69 | G | 45.7 | Very low | 45.6 | Very low | 61 Ų | 61 | 138.1 Ų | 138.1 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | trans | 110.5 | 89.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 70 | L | 46.7 | Very low | 45.4 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | -130.1 | 126.8 | 144.8 | -71.5 | -178 | 0 | 0 | 0 | 108.9 | ||||
| 71 | K | 41.5 | Very low | 45.9 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | -52.9 | 146.2 | 178.1 | -75 | 161.7 | 135.5 | -176.8 | 0 | 111.8 | V73 | K71-V73 PolarHBondContact O-N 3.49Š| ||
| 72 | D | 42.4 | Very low | 46.2 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | 3.3 | 97.7 | 122.8 | -177.1 | 35.1 | 0 | 0 | 0 | 114.9 | |||||
| 73 | V | 39.2 | Very low | 46.4 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | -155 | 117.1 | 142.3 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | K71 | K71-V73 PolarHBondContact O-N 3.49Š| ||
| 74 | V | 49.8 | Very low | 46.2 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | trans | -33.1 | 127.1 | 162 | 171.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 75 | L | 41.2 | Very low | 47.1 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -153.1 | 115 | 137.8 | -157.5 | 113 | 0 | 0 | 0 | 111.5 | ||||
| 76 | E | 39.9 | Very low | 47.6 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -52 | 154.4 | 167.7 | -162.7 | -171.3 | 89.4 | 0 | 0 | 113.2 | ||||
| 77 | N | 42.8 | Very low | 47.7 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | trans | 77.5 | 94.6 | 152.1 | -159 | 22 | 0 | 0 | 0 | 118.9 | ||||
| 78 | T | 39.8 | Very low | 48.2 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | -156.9 | 110.5 | 108.3 | 38.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 79 | S | 52.2 | Low | 48.1 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | -18 | 124.4 | 147.4 | 129.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 80 | S | 46.5 | Very low | 48.7 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | -164.6 | 86.3 | 144.1 | -166.2 | 0 | 0 | 0 | 0 | 111 | M82 | S80-M82 PolarHBondContact O-N 2.97Š| ||
| 81 | T | 57.5 | Low | 49.3 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | 34.7 | 80.3 | 141.8 | 57.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 82 | M | 54.1 | Low | 49.9 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | trans | -123.7 | 48.1 | 145.2 | -88.6 | -101.9 | 162.5 | 0 | 0 | 108.6 | S80 F84 | S80-M82 PolarHBondContact O-N 2.97Å; M82-F84 HydrophobicContact CE-CD2 3.89Å; M82-F84 HydrophobicContact CE-CE2 3.68Å; M82-F84 HydrophobicContact CG-CD2 4.27Å; M82-F84 PolarHBondContact O-N 3.45Å; M82-F84 HydrophobicContact SD-CD2 3.52Å; M82-F84 VanDerWaalsContact SD-CD2 3.52Å; M82-F84 HydrophobicContact SD-CE2 3.97Å; M82-F84 HydrophobicContact SD-CG 4.46Å | ||
| 83 | D | 52.7 | Low | 50.7 | Low | 148 Ų | 148 | 134.2 Ų | 134.2 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | -69.4 | 60.7 | 153.1 | -63.3 | -79.9 | 0 | 0 | 0 | 108.8 | L85 | D83-L85 VanDerWaalsContact C-N 3.28Å; D83-L85 PolarHBondContact O-N 3.48Å; D83-L85 VanDerWaalsContact O-N 3.14Å | ||
| 84 | F | 49.7 | Very low | 51.5 | Low | 154 Ų | 154 | 135.1 Ų | 135.1 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | trans | -84.4 | 84.4 | 167 | -89.2 | -88.8 | 0 | 0 | 0 | 108.1 | M82 | M82-F84 HydrophobicContact CE-CD2 3.89Å; M82-F84 HydrophobicContact CE-CE2 3.68Å; M82-F84 HydrophobicContact CG-CD2 4.27Å; M82-F84 PolarHBondContact O-N 3.45Å; M82-F84 HydrophobicContact SD-CD2 3.52Å; M82-F84 VanDerWaalsContact SD-CD2 3.52Å; M82-F84 HydrophobicContact SD-CE2 3.97Å; M82-F84 HydrophobicContact SD-CG 4.46Å | ||
| 85 | L | 61.6 | Low | 51.9 | Low | 127 Ų | 127 | 134.9 Ų | 134.9 | 67% | 0.665 | 74% | 0.742 | S | S | * | * | trans | 45.9 | 78.7 | 153.6 | -68.8 | 107.5 | 0 | 0 | 0 | 115.7 | D83 E87 | D83-L85 VanDerWaalsContact C-N 3.28Å; D83-L85 PolarHBondContact O-N 3.48Å; D83-L85 VanDerWaalsContact O-N 3.14Å; L85-E87 HydrophobicContact CB-CB 4.45Å; L85-E87 HydrophobicContact CD2-CB 4.23Å; L85-E87 HydrophobicContact CD2-CG 3.97Å; L85-E87 PolarHBondContact O-N 3.47Å | ||
| 86 | D | 56.5 | Low | 52 | Low | 148 Ų | 148 | 132.9 Ų | 132.9 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -68.2 | 72.9 | 137.7 | -166.8 | 103.3 | 0 | 0 | 0 | 107.6 | C88 | D86-C88 VanDerWaalsContact C-N 3.28Å; D86-C88 PolarHBondContact O-N 3.13Å | ||
| 87 | E | 47.9 | Very low | 52.7 | Low | 122 Ų | 122 | 131.5 Ų | 131.5 | 57% | 0.57 | 74% | 0.735 | S | S | * | * | trans | -92.8 | 76.3 | 159 | -104.2 | -87.3 | 89.1 | 0 | 0 | 105.2 | L85 S89 | L85-E87 HydrophobicContact CB-CB 4.45Å; L85-E87 HydrophobicContact CD2-CB 4.23Å; L85-E87 HydrophobicContact CD2-CG 3.97Å; L85-E87 PolarHBondContact O-N 3.47Å; E87-S89 VanDerWaalsContact CD-OG 3.22Å; E87-S89 PolarHBondContact O-N 3.23Å; E87-S89 WeakPolarHBondContact OE1-CB 3.48Å; E87-S89 PolarHBondContact OE1-OG 2.91Å; E87-S89 VanDerWaalsContact OE1-OG 3.1Å; E87-S89 WeakPolarHBondContact OE2-CB 3.02Å; E87-S89 PolarHBondContact OE2-OG 3.11Å | ||
| 88 | C | 56.7 | Low | 53 | Low | 102 Ų | 102 | 134.5 Ų | 134.5 | 69% | 0.689 | 74% | 0.738 | S | S | * | * | trans | -61.7 | 63.5 | 147.3 | -77.4 | 0 | 0 | 0 | 0 | 109.1 | D86 N90 | D86-C88 VanDerWaalsContact C-N 3.28Å; D86-C88 PolarHBondContact O-N 3.13Å; C88-N90 PolarHBondContact O-N 3.4Å; C88-N90 VanDerWaalsContact O-N 3.07Å | ||
| 89 | S | 45.1 | Very low | 53.4 | Low | 53 Ų | 53 | 135.6 Ų | 135.6 | 37% | 0.371 | 73% | 0.734 | S | S | . | * | trans | -85.5 | 83.1 | -178.7 | -142.2 | 0 | 0 | 0 | 0 | 109.8 | E87 Q91 | E87-S89 VanDerWaalsContact CD-OG 3.22Å; E87-S89 PolarHBondContact O-N 3.23Å; E87-S89 WeakPolarHBondContact OE1-CB 3.48Å; E87-S89 PolarHBondContact OE1-OG 2.91Å; E87-S89 VanDerWaalsContact OE1-OG 3.1Å; E87-S89 WeakPolarHBondContact OE2-CB 3.02Å; E87-S89 PolarHBondContact OE2-OG 3.11Å; S89-Q91 PolarHBondContact O-N 2.96Å; S89-Q91 VanDerWaalsContact O-N 3.07Å | ||
| 90 | N | 58.4 | Low | 53.1 | Low | 162 Ų | 162 | 134.8 Ų | 134.8 | 87% | 0.866 | 73% | 0.725 | S | S | * | * | trans | -71.8 | 77 | 146.4 | -71.8 | -67.4 | 0 | 0 | 0 | 107.7 | C88 | C88-N90 PolarHBondContact O-N 3.4Å; C88-N90 VanDerWaalsContact O-N 3.07Å | ||
| 91 | Q | 59.7 | Low | 53.3 | Low | 160 Ų | 160 | 138.2 Ų | 138.2 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -139.1 | 73 | 172.7 | -121.8 | -175 | 98.8 | 0 | 0 | 110.6 | S89 | S89-Q91 PolarHBondContact O-N 2.96Å; S89-Q91 VanDerWaalsContact O-N 3.07Å | ||
| 92 | S | 54.8 | Low | 52.8 | Low | 126 Ų | 126 | 141.3 Ų | 141.3 | 88% | 0.881 | 74% | 0.737 | S | S | * | * | trans | -117.4 | 73.6 | 147.2 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 93 | F | 58.6 | Low | 52.3 | Low | 178 Ų | 178 | 140.3 Ų | 140.3 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | trans | -88 | 119.3 | 160.3 | -109.7 | -98.1 | 0 | 0 | 0 | 107.6 | ||||
| 94 | L | 57.1 | Low | 51.4 | Low | 157 Ų | 157 | 138.5 Ų | 138.5 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | 55.3 | 80 | 150.4 | -53.7 | 174.8 | 0 | 0 | 0 | 118 | ||||
| 95 | S | 56.5 | Low | 51.1 | Low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -151.3 | 85.9 | 146.4 | 65.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 96 | D | 44.6 | Very low | 49.9 | Very low | 127 Ų | 127 | 136 Ų | 136 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | -158.9 | 107.3 | 118.7 | -149.1 | -14.9 | 0 | 0 | 0 | 111.1 | Y98 | D96-Y98 PolarHBondContact O-N 3.49Å; D96-Y98 VanDerWaalsContact OD1-CD2 3.25Å; D96-Y98 WeakPolarHBondContact OD1-CD2 3.36Å | |||
| 97 | V | 53.7 | Low | 49.3 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -79.4 | 91.7 | 159.8 | 166.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 98 | Y | 49.2 | Very low | 48.8 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | trans | -125.1 | 93.1 | 149.5 | -93.7 | -82.2 | 0 | 0 | 0 | 108.3 | D96 P100 | D96-Y98 PolarHBondContact O-N 3.49Å; D96-Y98 VanDerWaalsContact OD1-CD2 3.25Å; D96-Y98 WeakPolarHBondContact OD1-CD2 3.36Å; Y98-P100 WeakPolarHBondContact O-CD 3.25Å | ||
| 99 | Q | 47.6 | Very low | 47.9 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -77 | 116.3 | 146.2 | -71.4 | -125.2 | -30.9 | 0 | 0 | 107.5 | ||||
| 100 | P | 45.8 | Very low | 47.7 | Very low | 94 Ų | 94 | 139 Ų | 139 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | trans | -104.5 | 112.6 | 133.1 | -11.8 | 28.6 | 0 | 0 | 0 | 107.7 | Y98 M102 | Y98-P100 WeakPolarHBondContact O-CD 3.25Å; P100-M102 PolarHBondContact O-N 3.47Å | ||
| 101 | K | 51.7 | Low | 46.7 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -50 | 126.1 | 160.1 | -66.3 | -178.4 | 176.9 | 175.4 | 0 | 108.8 | ||||
| 102 | M | 46.3 | Very low | 45.6 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | -152.7 | 92 | 138.8 | 64.2 | -174.5 | 102 | 0 | 0 | 108.5 | P100 | P100-M102 PolarHBondContact O-N 3.47Š| ||
| 103 | D | 43.8 | Very low | 44.9 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -67.4 | 121.1 | 151.7 | -26.1 | -84.2 | 0 | 0 | 0 | 105.9 | ||||
| 104 | S | 34.5 | Very low | 43.9 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 168 | 106.7 | 143.4 | -77.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 105 | S | 43.5 | Very low | 43.4 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 37.8 | 126.4 | 134.5 | -51.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 106 | S | 35.6 | Very low | 42.4 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | -179 | 130.8 | 93.6 | -74.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 107 | S | 43.8 | Very low | 42.2 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -68.1 | 169 | 155.1 | -78.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 108 | S | 37.3 | Very low | 42.4 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | 98.4 | 133.7 | 171.7 | -159.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 109 | S | 39 | Very low | 41.7 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 58% | 0.58 | 78% | 0.777 | S | S | * | * | cis | -161.1 | 139.5 | 8.2 | -112.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 110 | Q | 39.8 | Very low | 41.8 | Very low | 175 Ų | 175 | 129 Ų | 129 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | 56.6 | 110 | 102.6 | -55.3 | -175.3 | -17.5 | 0 | 0 | 116.5 | |||||
| 111 | H | 38.6 | Very low | 41.3 | Very low | 186 Ų | 186 | 132.5 Ų | 132.5 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -175.3 | 100.8 | 137.5 | -113.1 | -88.4 | 0 | 0 | 0 | 106.2 | ||||
| 112 | A | 36.3 | Very low | 40.5 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | 68.7 | 132.9 | 67.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 113 | S | 40.3 | Very low | 40.1 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | 100.2 | 95.4 | 170.6 | -33.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 114 | E | 37.6 | Very low | 39.8 | Very low | 196 Ų | 196 | 126.6 Ų | 126.6 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | 89.3 | 135.2 | 66.9 | -74.2 | -172.6 | 113.6 | 0 | 0 | 113.9 | |||||
| 115 | A | 45.5 | Very low | 40.5 | Very low | 100 Ų | 100 | 129 Ų | 129 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -98 | 147.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 116 | V | 36.5 | Very low | 40.4 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | trans | -155.5 | 140.8 | 155.9 | 12.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 117 | S | 38.9 | Very low | 40.8 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -80.6 | 177 | -169.8 | -124 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 118 | P | 57.8 | Low | 40.8 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | -101.4 | 163.3 | -157.5 | 40.5 | -36.3 | 0 | 0 | 0 | 115.4 | ||||
| 119 | L | 34.7 | Very low | 41.3 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -176.2 | 171.9 | 144.2 | -126.7 | 69 | 0 | 0 | 0 | 112.2 | ||||
| 120 | P | 50.8 | Low | 41.5 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | -117.5 | 160.3 | -126.6 | 28.2 | -3.7 | 0 | 0 | 0 | 112.8 | |||||
| 121 | H | 35.2 | Very low | 42 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -159 | 110.8 | 162.2 | 32.2 | -84.4 | 0 | 0 | 0 | 110.7 | ||||
| 122 | T | 34.6 | Very low | 42.8 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | trans | 33.4 | 142.2 | 132.3 | 59.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 123 | T | 37.8 | Very low | 43.3 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 78.5 | 101 | 153.3 | 24 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 124 | T | 38.3 | Very low | 44.1 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | 95.5 | 117.5 | 77.5 | -72 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 125 | L | 47.9 | Very low | 45 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 65 | 99.2 | 165.1 | -62.9 | 166.5 | 0 | 0 | 0 | 116.4 | ||||
| 126 | R | 41.8 | Very low | 45.5 | Very low | 254 Ų | 254 | 142.7 Ų | 142.7 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | -159.3 | 131.3 | 117.7 | -79.1 | -129 | 170.2 | 178.1 | -1.5 | 111.8 | |||||
| 127 | T | 43.6 | Very low | 46.6 | Very low | 143 Ų | 143 | 139 Ų | 139 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -45 | 133.8 | 165.8 | -48.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 128 | A | 44.5 | Very low | 47 | Very low | 85 Ų | 85 | 142.2 Ų | 142.2 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | 143 | 117.1 | 130.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 129 | E | 48.7 | Very low | 46.3 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | 56.7 | 80.7 | 138.2 | -80.3 | -106.6 | 98.8 | 0 | 0 | 118.6 | ||||
| 130 | D | 42.1 | Very low | 46.9 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -151.3 | 109.3 | 131.9 | -165.5 | 51.9 | 0 | 0 | 0 | 109.1 | Q132 | D130-Q132 PolarHBondContact O-N 3.33Š| ||
| 131 | A | 50.3 | Low | 47 | Very low | 89 Ų | 89 | 145 Ų | 145 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -81.4 | 104.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 132 | Q | 55.3 | Low | 47.4 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 135 | 159 | -129.9 | -152.8 | -96.2 | 0 | 0 | 108.9 | D130 | D130-Q132 PolarHBondContact O-N 3.33Š|
| 133 | P | 46.3 | Very low | 48.1 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 136.1 | 179.5 | 27.6 | -32.6 | 0 | 0 | 0 | 110.2 | M135 | P133-M135 PolarHBondContact O-N 3.15Š|
| 134 | P | 57.2 | Low | 48.2 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 134.4 | 171.5 | 26.1 | -32.1 | 0 | 0 | 0 | 110 | L136 | P134-L136 PolarHBondContact O-N 3.16Š|
| 135 | M | 56.8 | Low | 48.2 | Very low | 166 Ų | 166 | 145 Ų | 145 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -65.1 | 115.9 | 172.3 | -70.2 | 177.8 | 58.1 | 0 | 0 | 109.1 | P133 G137 | P133-M135 PolarHBondContact O-N 3.15Å; M135-G137 PolarHBondContact O-N 3.2Å | ||
| 136 | L | 56.3 | Low | 47.6 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 98% | 0.984 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -67.6 | 100.5 | 175.4 | -166.4 | 101.1 | 0 | 0 | 0 | 109.2 | P134 | P134-L136 PolarHBondContact O-N 3.16Š|
| 137 | G | 58.8 | Low | 47.6 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | 155.4 | 24.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | M135 | M135-G137 PolarHBondContact O-N 3.2Š| ||
| 138 | Q | 47.7 | Very low | 47.5 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -114.7 | 91.3 | 173.1 | -64.5 | -168.7 | -68.6 | 0 | 0 | 109.9 | S140 | Q138-S140 PolarHBondContact O-N 3.19Š| ||
| 139 | E | 44 | Very low | 47.3 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -73.6 | 105.6 | 155.8 | 65.8 | -166.6 | 98.4 | 0 | 0 | 107.3 | V141 | E139-V141 PolarHBondContact O-N 3.4Š| ||
| 140 | S | 46.1 | Very low | 47.5 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -85.7 | 103.2 | 163.3 | 54.5 | 0 | 0 | 0 | 0 | 107.1 | Q138 D142 | Q138-S140 PolarHBondContact O-N 3.19Å; S140-D142 PolarHBondContact O-N 3.41Å | ||
| 141 | V | 54.3 | Low | 47.5 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -61.9 | 118 | 161.3 | 130.2 | 0 | 0 | 0 | 0 | 107 | E139 | E139-V141 PolarHBondContact O-N 3.4Š| ||
| 142 | D | 42.1 | Very low | 47.1 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -147.8 | 107.1 | 153.4 | -150.4 | -110.6 | 0 | 0 | 0 | 108.6 | S140 | S140-D142 PolarHBondContact O-N 3.41Š| ||
| 143 | E | 49.6 | Very low | 47 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 138.8 | 179 | 169.8 | 177.5 | 96.6 | 0 | 0 | 109.6 | ||||
| 144 | P | 40.9 | Very low | 47.4 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | trans | -135.7 | 111.1 | 139.8 | 25.5 | -6.7 | 0 | 0 | 0 | 113.1 | ||||
| 145 | S | 37.3 | Very low | 47.4 | Very low | 92 Ų | 92 | 139 Ų | 139 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | 16.1 | 114 | 139.1 | 47.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 146 | Q | 36.2 | Very low | 47.4 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | 74.7 | 159.3 | 133.9 | -63 | -165.5 | -30.7 | 0 | 0 | 121.5 | ||||
| 147 | P | 42 | Very low | 47 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | cis | -128.1 | -179.9 | -4 | 32.8 | -11.3 | 0 | 0 | 0 | 114.9 | ||||
| 148 | A | 41.3 | Very low | 46.5 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -44.4 | 135.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 149 | H | 40.8 | Very low | 47 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -127.8 | 92.5 | 151.1 | -172.2 | -83.9 | 0 | 0 | 0 | 108.6 | ||||
| 150 | E | 51.6 | Low | 47.3 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -60.1 | 130.2 | 157.7 | -179.5 | -177.9 | 114.4 | 0 | 0 | 108.7 | ||||
| 151 | V | 42.8 | Very low | 47.9 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | 159.2 | 121.1 | 144.1 | 158.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 152 | A | 41.1 | Very low | 47.4 | Very low | 87 Ų | 87 | 140.9 Ų | 140.9 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | 54.2 | 116.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | E154 | A152-E154 PolarHBondContact O-N 3.33Š| ||
| 153 | D | 53 | Low | 47.5 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -25.9 | 106.1 | 137.9 | -168.5 | 6.7 | 0 | 0 | 0 | 113.7 | ||||
| 154 | E | 56.3 | Low | 47.2 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | trans | -121.8 | 121.3 | 161.2 | -166.6 | -163.9 | 129.1 | 0 | 0 | 108.8 | A152 T157 | A152-E154 PolarHBondContact O-N 3.33Å; E154-T157 VanDerWaalsContact OE1-CG2 3.29Å; E154-T157 WeakPolarHBondContact OE1-CG2 3.32Å | ||
| 155 | P | 56.9 | Low | 47.3 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 59% | 0.591 | 77% | 0.773 | S | S | * | * | trans | -69.9 | 154.1 | 174.7 | 30 | -34.3 | 0 | 0 | 0 | 110.7 | T157 | P155-T157 PolarHBondContact O-N 2.95Š| ||
| 156 | P | 55.7 | Low | 47.7 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -59.4 | 115.1 | -176.2 | 24.2 | -33.1 | 0 | 0 | 0 | 110.8 | L158 | P156-L158 PolarHBondContact O-N 3.14Š| ||
| 157 | T | 48.5 | Very low | 47.7 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 64% | 0.644 | 78% | 0.783 | S | S | * | * | trans | -67.1 | 118.7 | 174 | 41.5 | 0 | 0 | 0 | 0 | 109.5 | E154 P155 I159 | E154-T157 VanDerWaalsContact OE1-CG2 3.29Å; E154-T157 WeakPolarHBondContact OE1-CG2 3.32Å; P155-T157 PolarHBondContact O-N 2.95Å; T157-I159 PolarHBondContact O-N 2.96Å | ||
| 158 | L | 49 | Very low | 47.3 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -55.6 | 106.4 | 173.1 | -72.4 | 168 | 0 | 0 | 0 | 109.4 | P156 K160 | P156-L158 PolarHBondContact O-N 3.14Å; L158-K160 PolarHBondContact O-N 3.38Å | ||
| 159 | I | 58.5 | Low | 47.1 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | -66.6 | 110.1 | 170.2 | 51.4 | 167.1 | 0 | 0 | 0 | 108.8 | T157 E161 | T157-I159 PolarHBondContact O-N 2.96Å; I159-E161 PolarHBondContact O-N 3.07Å; I159-E161 VanDerWaalsContact O-N 3.11Å | ||
| 160 | K | 50.3 | Low | 46.9 | Very low | 192 Ų | 192 | 143.7 Ų | 143.7 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -60 | 102.2 | 173.6 | -175.2 | 178.8 | 73.6 | 175.2 | 0 | 109.1 | L158 D162 | L158-K160 PolarHBondContact O-N 3.38Å; K160-D162 PolarHBondContact O-N 2.79Å | ||
| 161 | E | 57 | Low | 46.1 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -68.8 | 129 | 166 | 60.2 | -169.4 | 109 | 0 | 0 | 109.7 | I159 L163 | I159-E161 PolarHBondContact O-N 3.07Å; I159-E161 VanDerWaalsContact O-N 3.11Å; E161-L163 PolarHBondContact O-N 3.07Å | ||
| 162 | D | 45.5 | Very low | 45.6 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -67.3 | 114.3 | -166.9 | -173.8 | 43.9 | 0 | 0 | 0 | 111 | K160 V164 | K160-D162 PolarHBondContact O-N 2.79Å; D162-V164 PolarHBondContact O-N 3.49Å | ||
| 163 | L | 42.3 | Very low | 45.5 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -69.8 | 92.8 | 172.7 | -66.6 | 176.6 | 0 | 0 | 0 | 108.9 | E161 L165 | E161-L163 PolarHBondContact O-N 3.07Å; L163-L165 VanDerWaalsContact C-N 3.32Å; L163-L165 PolarHBondContact O-N 2.73Å | ||
| 164 | V | 43.3 | Very low | 44.9 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -70.8 | 91.1 | 167.5 | -175 | 0 | 0 | 0 | 0 | 108.8 | D162 | D162-V164 PolarHBondContact O-N 3.49Š| ||
| 165 | L | 44.4 | Very low | 43.9 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | -75.9 | 142.2 | 166 | -67.4 | 169.9 | 0 | 0 | 0 | 110.5 | L163 | L163-L165 VanDerWaalsContact C-N 3.32Å; L163-L165 PolarHBondContact O-N 2.73Å | ||
| 166 | P | 44.3 | Very low | 42.6 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -102.2 | 106.8 | 144.5 | 18.1 | -0.8 | 0 | 0 | 0 | 109.7 | ||||
| 167 | L | 36.4 | Very low | 41.8 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | trans | 25.4 | 114 | 134.2 | -163.9 | 76.1 | 0 | 0 | 0 | 118 | ||||
| 168 | G | 34.9 | Very low | 41.1 | Very low | 65 Ų | 65 | 149.9 Ų | 149.9 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | 158.8 | 101.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 169 | V | 35.5 | Very low | 40.5 | Very low | 144 Ų | 144 | 150.4 Ų | 150.4 | 87% | 0.873 | 79% | 0.791 | S | S | * | * | trans | 77.1 | 84.3 | 152.5 | -166.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 170 | R | 37.7 | Very low | 39.5 | Very low | 234 Ų | 234 | 151.1 Ų | 151.1 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | 65.7 | 125.2 | 91.8 | -120.3 | -160 | -176.9 | -152.6 | 2.3 | 116 | |||||
| 171 | V | 33.8 | Very low | 38.9 | Very low | 98 Ų | 98 | 149.7 Ų | 149.7 | 59% | 0.594 | 79% | 0.787 | S | S | * | * | trans | 105.7 | 100.8 | 141.6 | -180 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 172 | R | 32.4 | Very low | 38.2 | Very low | 214 Ų | 214 | 149.7 Ų | 149.7 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | 88.2 | 110.6 | 122.8 | -175.1 | 180 | -100.6 | 130.9 | -9.3 | 119.1 | |||||
| 173 | V | 39.7 | Very low | 38.1 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | trans | -81.3 | 142.8 | 143.3 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 174 | P | 40.2 | Very low | 38 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | -132.3 | 150 | 106.3 | 13.7 | 8.4 | 0 | 0 | 0 | 112.8 | |||||
| 175 | C | 35 | Very low | 38.1 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | -53.9 | 146 | 162.8 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 176 | T | 29.5 | Very low | 38.4 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -156 | 128.4 | 134.4 | -9.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 177 | E | 38.9 | Very low | 38.7 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -40 | 148.7 | 155.3 | 50.3 | -118 | 94.2 | 0 | 0 | 113.4 | ||||
| 178 | E | 33.8 | Very low | 39.4 | Very low | 197 Ų | 197 | 141.6 Ų | 141.6 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | -168.1 | 156.3 | 129.7 | -63.1 | -144.6 | 149.4 | 0 | 0 | 109 | |||||
| 179 | E | 38 | Very low | 40.5 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -81.4 | 177.4 | -156.4 | -62.6 | 171.9 | 94.3 | 0 | 0 | 116.1 | ||||
| 180 | E | 36.6 | Very low | 41.6 | Very low | 178 Ų | 178 | 150.9 Ų | 150.9 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 97.9 | 132.4 | 152.8 | -65.5 | -168.2 | 112.1 | 0 | 0 | 121.3 | ||||
| 181 | E | 36.8 | Very low | 42.2 | Very low | 163 Ų | 163 | 147.6 Ų | 147.6 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 69.4 | 107 | 154.3 | -96.8 | -173 | 78.8 | 0 | 0 | 121.4 | ||||
| 182 | E | 44 | Very low | 42.4 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | 56.9 | 128.9 | 116 | -165.9 | 146.6 | -170.8 | 0 | 0 | 119.7 | |||||
| 183 | S | 43.3 | Very low | 42.9 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | 89.2 | 75.5 | 162.2 | -148.8 | 0 | 0 | 0 | 0 | 116.7 | A185 | S183-A185 PolarHBondContact O-N 3.1Š| ||
| 184 | G | 39.4 | Very low | 43 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | trans | -75.5 | 79.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 185 | A | 46.2 | Very low | 43.3 | Very low | 79 Ų | 79 | 151.5 Ų | 151.5 | 65% | 0.653 | 82% | 0.818 | S | S | * | * | trans | -126.3 | 117.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110 | S183 | S183-A185 PolarHBondContact O-N 3.1Š| ||
| 186 | P | 49.1 | Very low | 43.7 | Very low | 119 Ų | 119 | 155 Ų | 155 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 144.2 | 179.7 | 28.5 | -32 | 0 | 0 | 0 | 111.9 | ||
| 187 | P | 50.8 | Low | 44.6 | Very low | 123 Ų | 123 | 153.8 Ų | 153.8 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 142.9 | -168.2 | 28.4 | -34.4 | 0 | 0 | 0 | 113.6 | ||
| 188 | L | 51 | Low | 45.2 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 135.8 | 176.2 | -69 | 168.8 | 0 | 0 | 0 | 111.5 | K190 | L188-K190 PolarHBondContact O-N 3.29Š|
| 189 | K | 59.7 | Low | 46 | Very low | 203 Ų | 203 | 149.6 Ų | 149.6 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68 | 122.1 | -171.9 | -42.6 | -173.9 | -175.2 | -171.7 | 0 | 110.5 | ||
| 190 | K | 58.5 | Low | 46.1 | Very low | 202 Ų | 202 | 155.7 Ų | 155.7 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 131.3 | 173.4 | -66.1 | 178 | 60.4 | 174.3 | 0 | 110.1 | L188 | L188-K190 PolarHBondContact O-N 3.29Š|
| 191 | I | 49.9 | Very low | 46.6 | Very low | 165 Ų | 165 | 154.6 Ų | 154.6 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 134.6 | 178.3 | -43.6 | 93.7 | 0 | 0 | 0 | 109.3 | ||
| 192 | C | 38.1 | Very low | 47.1 | Very low | 123 Ų | 123 | 154.2 Ų | 154.2 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | trans | -81.1 | 115.7 | -178.6 | -163.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 193 | T | 42.5 | Very low | 47.3 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | -86.2 | 108.6 | 165.5 | 26.1 | 0 | 0 | 0 | 0 | 109.6 | K195 | T193-K195 PolarHBondContact O-N 3.3Š| ||
| 194 | E | 42 | Very low | 47.5 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -54.4 | 120.9 | 170.6 | 178.6 | 175.3 | 68 | 0 | 0 | 110.9 | ||||
| 195 | K | 45.3 | Very low | 48 | Very low | 197 Ų | 197 | 159.6 Ų | 159.6 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | trans | -99.7 | 101.4 | 168.3 | -63.7 | -175.9 | -177.5 | 172 | 0 | 108 | T193 | T193-K195 PolarHBondContact O-N 3.3Š| ||
| 196 | K | 45.1 | Very low | 48.1 | Very low | 181 Ų | 181 | 164.9 Ų | 164.9 | 79% | 0.787 | 84% | 0.839 | S | S | * | * | trans | -91.7 | 99.3 | 170 | -159.7 | 173.1 | -173.9 | 173.6 | 0 | 108.9 | ||||
| 197 | S | 46.6 | Very low | 48.1 | Very low | 102 Ų | 102 | 168.2 Ų | 168.2 | 71% | 0.713 | 84% | 0.843 | S | S | * | * | trans | -81.5 | 125.4 | 165.7 | 53.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 198 | V | 51.6 | Low | 47.9 | Very low | 133 Ų | 133 | 171.7 Ų | 171.7 | 81% | 0.806 | 85% | 0.847 | S | S | * | * | trans | -126.6 | 131.5 | 158.1 | 164.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 199 | L | 52.1 | Low | 47.6 | Very low | 138 Ų | 138 | 171.8 Ų | 171.8 | 72% | 0.723 | 84% | 0.843 | S | S | * | * | trans | -74.9 | 157.8 | -174.9 | -84 | 72.8 | 0 | 0 | 0 | 113.4 | ||||
| 200 | R | 40 | Very low | 46.5 | Very low | 314 Ų | 314 | 169 Ų | 169 | 100% | 1.185 | 84% | 0.84 | S | S | * | * | trans | 78.9 | 0 | 161.2 | -76.9 | -168.2 | -174.9 | 112.8 | 0.4 | 118.1 |
Retrieved 200 of 200 residues in 81.2 ms
(Link to these results)