| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42 | Very low | 42 | Very low | 239 Ų | 239 | 150.4 Ų | 150.4 | 100% | 1.177 | 84% | 0.84 | S | S | * | * | 0 | 112.6 | 0 | -70.8 | -173.7 | -173.4 | 0 | 0 | 107.2 | |||||
| 2 | S | 49.3 | Very low | 41.6 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | 171.4 | 100.5 | 146.1 | -85.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 3 | E | 42.2 | Very low | 41.9 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -64.4 | 146.5 | -171.1 | -70.1 | 127.1 | 128.2 | 0 | 0 | 113.9 | ||||
| 4 | E | 51.6 | Low | 41.9 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | -22.8 | 128.5 | 139.7 | -167 | 177.1 | 166.1 | 0 | 0 | 115.4 | ||||
| 5 | E | 43.3 | Very low | 42.5 | Very low | 191 Ų | 191 | 144 Ų | 144 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -156.6 | 119.8 | 147.2 | -113.8 | -178.9 | 150.6 | 0 | 0 | 113.5 | ||||
| 6 | A | 40.7 | Very low | 43.4 | Very low | 86 Ų | 86 | 138.4 Ų | 138.4 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | 36.3 | 111.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 7 | R | 39.1 | Very low | 44.9 | Very low | 218 Ų | 218 | 133.7 Ų | 133.7 | 82% | 0.823 | 80% | 0.796 | S | S | * | * | 52.8 | 116.6 | 80.5 | -70 | -171.2 | -179.7 | -179.8 | 2.3 | 116 | |||||
| 8 | Q | 45.1 | Very low | 47 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | 66.6 | 105.9 | 136.7 | -67.4 | 163.8 | -9 | 0 | 0 | 118.2 | ||||
| 9 | S | 38.8 | Very low | 49.1 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | -122.4 | 90.4 | 128.5 | 70.2 | 0 | 0 | 0 | 0 | 108.5 | G11 | S9-G11 PolarHBondContact O-N 3.27Š| |||
| 10 | G | 34.6 | Very low | 51.1 | Low | 62 Ų | 62 | 123.2 Ų | 123.2 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | trans | -57.5 | 122.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | S12 | G10-S12 PolarHBondContact O-N 3.45Š| ||
| 11 | G | 35.3 | Very low | 53 | Low | 75 Ų | 75 | 120.9 Ų | 120.9 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | -59.7 | 90.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | S9 S13 | S9-G11 PolarHBondContact O-N 3.27Å; G11-S13 VanDerWaalsContact C-N 3.3Å; G11-S13 PolarHBondContact O-N 3.24Å | ||
| 12 | S | 37.4 | Very low | 55.3 | Low | 106 Ų | 106 | 112.6 Ų | 112.6 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | trans | -62.7 | 103.2 | 160.8 | 39.8 | 0 | 0 | 0 | 0 | 105.2 | G10 Q14 | G10-S12 PolarHBondContact O-N 3.45Å; S12-Q14 PolarHBondContact O-N 3.12Å | ||
| 13 | S | 44.8 | Very low | 57.3 | Low | 118 Ų | 118 | 107.3 Ų | 107.3 | 83% | 0.825 | 65% | 0.648 | S | S | * | * | trans | -50.4 | 97.3 | 161.1 | -54.6 | 0 | 0 | 0 | 0 | 106.6 | G11 A15 | G11-S13 VanDerWaalsContact C-N 3.3Å; G11-S13 PolarHBondContact O-N 3.24Å; S13-A15 PolarHBondContact O-N 2.96Å | ||
| 14 | Q | 41.7 | Very low | 59.7 | Low | 182 Ų | 182 | 104.6 Ų | 104.6 | 85% | 0.85 | 64% | 0.635 | S | S | * | * | trans | -58.6 | 102.6 | 160.7 | -86.9 | -175.5 | -24.4 | 0 | 0 | 104.5 | S12 G16 | S12-Q14 PolarHBondContact O-N 3.12Å; Q14-G16 PolarHBondContact O-N 3.03Å | ||
| 15 | A | 51.1 | Low | 61.8 | Low | 100 Ų | 100 | 102.1 Ų | 102.1 | 83% | 0.826 | 62% | 0.623 | S | S | * | * | trans | -60.6 | 83 | 152 | 0 | 0 | 0 | 0 | 0 | 105.2 | S13 A17 | S13-A15 PolarHBondContact O-N 2.96Å; A15-A17 PolarHBondContact O-N 3.23Å | ||
| 16 | G | 58.1 | Low | 64.2 | Low | 55 Ų | 55 | 94.6 Ų | 94.6 | 57% | 0.567 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 125.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | Q14 V18 | Q14-G16 PolarHBondContact O-N 3.03Å; G16-V18 PolarHBondContact O-N 3.21Å |
| 17 | A | 68.1 | Low | 66.7 | Low | 58 Ų | 58 | 94.7 Ų | 94.7 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 117.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | A15 T19 | A15-A17 PolarHBondContact O-N 3.23Å; A17-T19 WeakPolarHBondContact O-CG2 3.37Å; A17-T19 PolarHBondContact O-N 2.63Å |
| 18 | V | 81.9 | Confident | 69.4 | Low | 35 Ų | 35 | 93.4 Ų | 93.4 | 21% | 0.212 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -54 | 123.8 | 179 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | G16 D22 V23 A96 L100 | G16-V18 PolarHBondContact O-N 3.21Å; V18-D22 HydrophobicContact CG1-CB 4.32Å; V18-V23 HydrophobicContact CG1-CG2 4.14Å; V18-A96 HydrophobicContact CG1-CB 3.68Å; V18-L100 WeakPolarHBondContact O-CD2 3.5Å |
| 19 | T | 87.6 | Confident | 71.8 | Confident | 66 Ų | 66 | 92 Ų | 92 | 41% | 0.405 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -98 | 164.1 | 179.5 | 69.3 | 0 | 0 | 0 | 0 | 110.8 | A17 S21 D22 V23 | A17-T19 WeakPolarHBondContact O-CG2 3.37Å; A17-T19 PolarHBondContact O-N 2.63Å; T19-S21 PolarHBondContact O-N 3.45Å; T19-S21 PolarHBondContact OG1-N 3.14Å; T19-D22 WeakPolarHBondContact CB-OD2 3.17Å; T19-D22 PolarHBondContact N-OD2 3.45Å; T19-D22 PolarHBondContact O-N 2.89Å; T19-D22 VanDerWaalsContact O-N 3.13Å; T19-D22 PolarHBondContact OG1-N 3.22Å; T19-D22 PolarHBondContact OG1-OD2 2.98Å; T19-V23 PolarHBondContact O-N 3.07Å |
| 20 | V | 88.6 | Confident | 74.5 | Confident | 90 Ų | 90 | 88.6 Ų | 88.6 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.2 | -31.8 | 173.5 | -180 | 0 | 0 | 0 | 0 | 111.3 | V23 Q24 L100 | V20-V23 PolarHBondContact O-N 3.41Å; V20-Q24 WeakPolarHBondContact O-CG 3.43Å; V20-Q24 PolarHBondContact O-N 3.29Å; V20-Q24 VanDerWaalsContact O-N 3.09Å; V20-L100 HydrophobicContact CG2-CD1 4.28Å; V20-L100 HydrophobicContact CG2-CD2 4.46Å |
| 21 | S | 91.1 | Very high | 77.5 | Confident | 75 Ų | 75 | 91.5 Ų | 91.5 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 176.3 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | T19 V23 Q24 E25 | T19-S21 PolarHBondContact O-N 3.45Å; T19-S21 PolarHBondContact OG1-N 3.14Å; S21-V23 VanDerWaalsContact C-N 3.31Å; S21-V23 PolarHBondContact O-N 3.09Å; S21-Q24 PolarHBondContact O-N 3.27Å; S21-E25 PolarHBondContact O-N 3.02Å |
| 22 | D | 90.3 | Very high | 80.4 | Confident | 65 Ų | 65 | 93.3 Ų | 93.3 | 35% | 0.348 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | -179.9 | -53.9 | -41.9 | 0 | 0 | 0 | 110.8 | V18 T19 E25 L26 | V18-D22 HydrophobicContact CG1-CB 4.32Å; T19-D22 WeakPolarHBondContact CB-OD2 3.17Å; T19-D22 PolarHBondContact N-OD2 3.45Å; T19-D22 PolarHBondContact O-N 2.89Å; T19-D22 VanDerWaalsContact O-N 3.13Å; T19-D22 PolarHBondContact OG1-N 3.22Å; T19-D22 PolarHBondContact OG1-OD2 2.98Å; D22-E25 PolarHBondContact O-N 3.1Å; D22-L26 WeakPolarHBondContact O-CG 3.27Å; D22-L26 PolarHBondContact O-N 3.43Å |
| 23 | V | 91.9 | Very high | 83.2 | Confident | 11 Ų | 11 | 88.8 Ų | 88.8 | 7% | 0.067 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65 | -42.3 | 174.6 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | V18 T19 V20 S21 E25 L26 M27 A96 L100 | V18-V23 HydrophobicContact CG1-CG2 4.14Å; T19-V23 PolarHBondContact O-N 3.07Å; V20-V23 PolarHBondContact O-N 3.41Å; S21-V23 VanDerWaalsContact C-N 3.31Å; S21-V23 PolarHBondContact O-N 3.09Å; V23-E25 VanDerWaalsContact C-N 3.3Å; V23-E25 PolarHBondContact O-N 2.81Å; V23-L26 PolarHBondContact O-N 3.24Å; V23-M27 HydrophobicContact CG1-CE 4.15Å; V23-M27 WeakPolarHBondContact O-CG 3.33Å; V23-M27 PolarHBondContact O-N 2.8Å; V23-A96 HydrophobicContact CG2-CB 3.78Å; V23-L100 HydrophobicContact CG2-CD1 3.64Å |
| 24 | Q | 93.3 | Very high | 85.6 | Confident | 125 Ų | 125 | 86.4 Ų | 86.4 | 58% | 0.584 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.8 | -38.6 | 176.6 | -72.8 | 176.5 | -1.3 | 0 | 0 | 111.8 | V20 S21 M27 R28 | V20-Q24 WeakPolarHBondContact O-CG 3.43Å; V20-Q24 PolarHBondContact O-N 3.29Å; V20-Q24 VanDerWaalsContact O-N 3.09Å; S21-Q24 PolarHBondContact O-N 3.27Å; Q24-M27 PolarHBondContact O-N 2.97Å; Q24-R28 PolarHBondContact O-N 3.22Å |
| 25 | E | 94.2 | Very high | 88.3 | Confident | 132 Ų | 132 | 80.5 Ų | 80.5 | 62% | 0.617 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 175.6 | -170.9 | 174.9 | 179.4 | 0 | 0 | 111.8 | S21 D22 V23 M27 R28 R29 | S21-E25 PolarHBondContact O-N 3.02Å; D22-E25 PolarHBondContact O-N 3.1Å; V23-E25 VanDerWaalsContact C-N 3.3Å; V23-E25 PolarHBondContact O-N 2.81Å; E25-M27 VanDerWaalsContact C-N 3.32Å; E25-M27 PolarHBondContact O-N 3.43Å; E25-R28 PolarHBondContact O-N 3.24Å; E25-R29 WeakPolarHBondContact O-CB 3.41Å; E25-R29 PolarHBondContact O-N 3.35Å |
| 26 | L | 94 | Very high | 90.4 | Very high | 32 Ų | 32 | 79.8 Ų | 79.8 | 17% | 0.168 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.6 | -70.8 | 171.6 | 0 | 0 | 0 | 112.2 | D22 V23 R29 K30 V89 Q92 V93 A96 | D22-L26 WeakPolarHBondContact O-CG 3.27Å; D22-L26 PolarHBondContact O-N 3.43Å; V23-L26 PolarHBondContact O-N 3.24Å; L26-R29 PolarHBondContact O-N 3.28Å; L26-K30 PolarHBondContact O-N 2.81Å; L26-V89 WeakPolarHBondContact O-CG1 3.35Å; L26-Q92 HydrophobicContact CD1-CB 4.15Å; L26-Q92 HydrophobicContact CD2-CB 4.21Å; L26-V93 HydrophobicContact CB-CG2 3.6Å; L26-V93 HydrophobicContact CD1-CG2 4.41Å; L26-A96 HydrophobicContact CD1-CB 4.19Å |
| 27 | M | 93.7 | Very high | 92.2 | Very high | 89 Ų | 89 | 78.2 Ų | 78.2 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 174.6 | -74.4 | -174.1 | 172.8 | 0 | 0 | 112.1 | V23 Q24 E25 R29 K30 E31 V93 | V23-M27 HydrophobicContact CG1-CE 4.15Å; V23-M27 WeakPolarHBondContact O-CG 3.33Å; V23-M27 PolarHBondContact O-N 2.8Å; Q24-M27 PolarHBondContact O-N 2.97Å; E25-M27 VanDerWaalsContact C-N 3.32Å; E25-M27 PolarHBondContact O-N 3.43Å; M27-R29 VanDerWaalsContact C-N 3.33Å; M27-R29 PolarHBondContact O-N 2.95Å; M27-K30 WeakPolarHBondContact O-CB 3.45Å; M27-K30 PolarHBondContact O-N 2.81Å; M27-E31 WeakPolarHBondContact O-CG 3.42Å; M27-E31 PolarHBondContact O-N 2.93Å; M27-V93 HydrophobicContact CE-CG1 4.34Å |
| 28 | R | 96.4 | Very high | 93.5 | Very high | 190 Ų | 190 | 82 Ų | 82 | 72% | 0.717 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.6 | -42.8 | 175.4 | -176 | -178.2 | 175.2 | -173.3 | -1.9 | 111.6 | Q24 E25 K30 E31 E32 | Q24-R28 PolarHBondContact O-N 3.22Å; E25-R28 PolarHBondContact O-N 3.24Å; R28-K30 VanDerWaalsContact C-N 3.33Å; R28-K30 PolarHBondContact O-N 3.38Å; R28-E31 PolarHBondContact O-N 3.37Å; R28-E32 PolarHBondContact O-N 2.63Å |
| 29 | R | 95.1 | Very high | 94.2 | Very high | 144 Ų | 144 | 82.8 Ų | 82.8 | 54% | 0.543 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 176.7 | -174.2 | 173 | 179.6 | 168 | -0.3 | 111.9 | E25 L26 M27 E32 I33 V89 | E25-R29 WeakPolarHBondContact O-CB 3.41Å; E25-R29 PolarHBondContact O-N 3.35Å; L26-R29 PolarHBondContact O-N 3.28Å; M27-R29 VanDerWaalsContact C-N 3.33Å; M27-R29 PolarHBondContact O-N 2.95Å; R29-E32 PolarHBondContact O-N 3.41Å; R29-I33 HydrophobicContact CG-CD1 4.17Å; R29-I33 VanDerWaalsContact O-CG1 3.31Å; R29-I33 WeakPolarHBondContact O-CG1 3.46Å; R29-I33 PolarHBondContact O-N 2.75Å; R29-V89 HydrophobicContact CG-CG2 4.43Å |
| 30 | K | 95.9 | Very high | 94.5 | Very high | 50 Ų | 50 | 81 Ų | 81 | 22% | 0.217 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.8 | -49.5 | 172.3 | 172.3 | -164.1 | 172.8 | -78.3 | 0 | 111 | L26 M27 R28 E32 I33 E34 V89 M90 | L26-K30 PolarHBondContact O-N 2.81Å; M27-K30 WeakPolarHBondContact O-CB 3.45Å; M27-K30 PolarHBondContact O-N 2.81Å; R28-K30 VanDerWaalsContact C-N 3.33Å; R28-K30 PolarHBondContact O-N 3.38Å; K30-E32 VanDerWaalsContact C-N 3.32Å; K30-E32 PolarHBondContact O-N 2.85Å; K30-I33 PolarHBondContact O-N 2.83Å; K30-E34 WeakPolarHBondContact CE-OE1 3.25Å; K30-E34 IonicContact NZ-OE1 2.83Å; K30-E34 PolarHBondContact NZ-OE1 2.97Å; K30-E34 IonicContact NZ-OE2 2.66Å; K30-E34 PolarHBondContact NZ-OE2 2.82Å; K30-E34 WeakPolarHBondContact O-CG 3.45Å; K30-E34 PolarHBondContact O-N 2.88Å; K30-V89 HydrophobicContact CB-CG1 4.01Å; K30-M90 HydrophobicContact CD-SD 3.61Å; K30-M90 WeakPolarHBondContact CE-SD 3.37Å; K30-M90 HydrophobicContact CG-SD 4.34Å |
| 31 | E | 96.3 | Very high | 94.8 | Very high | 124 Ų | 124 | 80.5 Ų | 80.5 | 58% | 0.579 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.9 | -39.2 | -179.9 | -70.9 | 174.5 | -175.6 | 0 | 0 | 112.2 | M27 R28 E34 A35 | M27-E31 WeakPolarHBondContact O-CG 3.42Å; M27-E31 PolarHBondContact O-N 2.93Å; R28-E31 PolarHBondContact O-N 3.37Å; E31-E34 PolarHBondContact O-N 2.79Å; E31-A35 WeakPolarHBondContact O-CB 3.37Å; E31-A35 PolarHBondContact O-N 3.27Å |
| 32 | E | 96.7 | Very high | 94.9 | Very high | 112 Ų | 112 | 80.7 Ų | 80.7 | 52% | 0.523 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 175.5 | -176.4 | 172.1 | -166.3 | 0 | 0 | 111.9 | R28 R29 K30 E34 A35 Q36 | R28-E32 PolarHBondContact O-N 2.63Å; R29-E32 PolarHBondContact O-N 3.41Å; K30-E32 VanDerWaalsContact C-N 3.32Å; K30-E32 PolarHBondContact O-N 2.85Å; E32-E34 VanDerWaalsContact C-N 3.35Å; E32-E34 PolarHBondContact O-N 3.06Å; E32-A35 PolarHBondContact O-N 2.97Å; E32-Q36 WeakPolarHBondContact O-CG 3.01Å; E32-Q36 PolarHBondContact O-N 3.43Å |
| 33 | I | 96.6 | Very high | 94.9 | Very high | 12 Ų | 12 | 80.1 Ų | 80.1 | 6% | 0.062 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.5 | -67.2 | 166.9 | 0 | 0 | 0 | 110.4 | R29 K30 A35 Q36 I37 L82 D85 H86 V89 | R29-I33 HydrophobicContact CG-CD1 4.17Å; R29-I33 VanDerWaalsContact O-CG1 3.31Å; R29-I33 WeakPolarHBondContact O-CG1 3.46Å; R29-I33 PolarHBondContact O-N 2.75Å; K30-I33 PolarHBondContact O-N 2.83Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 3.41Å; I33-Q36 PolarHBondContact O-N 2.83Å; I33-I37 HydrophobicContact CG2-CD1 3.84Å; I33-I37 HydrophobicContact CG2-CG1 4.33Å; I33-I37 VanDerWaalsContact O-CG1 3.28Å; I33-I37 WeakPolarHBondContact O-CG1 3.18Å; I33-I37 PolarHBondContact O-N 3.28Å; I33-L82 HydrophobicContact CG2-CB 4.18Å; I33-L82 HydrophobicContact CG2-CD2 4.25Å; I33-L82 WeakPolarHBondContact CG2-O 3.29Å; I33-D85 HydrophobicContact CD1-CB 4.25Å; I33-H86 HydrophobicContact CG2-CB 3.79Å; I33-V89 HydrophobicContact CD1-CG2 3.84Å |
| 34 | E | 95.6 | Very high | 94.8 | Very high | 68 Ų | 68 | 79.8 Ų | 79.8 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.7 | -73.4 | 172.7 | 163.6 | 0 | 0 | 112 | K30 E31 E32 I37 K38 H86 | K30-E34 WeakPolarHBondContact CE-OE1 3.25Å; K30-E34 IonicContact NZ-OE1 2.83Å; K30-E34 PolarHBondContact NZ-OE1 2.97Å; K30-E34 IonicContact NZ-OE2 2.66Å; K30-E34 PolarHBondContact NZ-OE2 2.82Å; K30-E34 WeakPolarHBondContact O-CG 3.45Å; K30-E34 PolarHBondContact O-N 2.88Å; E31-E34 PolarHBondContact O-N 2.79Å; E32-E34 VanDerWaalsContact C-N 3.35Å; E32-E34 PolarHBondContact O-N 3.06Å; E34-I37 PolarHBondContact O-N 2.75Å; E34-K38 WeakPolarHBondContact O-CB 3.46Å; E34-K38 PolarHBondContact O-N 3.19Å; E34-H86 WeakPolarHBondContact CG-NE2 2.84Å; E34-H86 IonicContact OE1-CD2 3.44Å; E34-H86 IonicContact OE1-CE1 3.7Å; E34-H86 IonicContact OE1-NE2 3.56Å; E34-H86 PolarHBondContact OE1-NE2 3.11Å |
| 35 | A | 97.1 | Very high | 94.6 | Very high | 58 Ų | 58 | 81.3 Ų | 81.3 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | E31 E32 I33 K38 A39 | E31-A35 WeakPolarHBondContact O-CB 3.37Å; E31-A35 PolarHBondContact O-N 3.27Å; E32-A35 PolarHBondContact O-N 2.97Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 3.41Å; A35-K38 PolarHBondContact O-N 2.95Å; A35-A39 WeakPolarHBondContact O-CB 3.29Å; A35-A39 PolarHBondContact O-N 2.79Å |
| 36 | Q | 95.9 | Very high | 94.3 | Very high | 84 Ų | 84 | 78.8 Ų | 78.8 | 39% | 0.393 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 175.6 | -69.8 | 179.1 | 20.8 | 0 | 0 | 112 | E32 I33 K38 A39 N40 L82 | E32-Q36 WeakPolarHBondContact O-CG 3.01Å; E32-Q36 PolarHBondContact O-N 3.43Å; I33-Q36 PolarHBondContact O-N 2.83Å; Q36-K38 VanDerWaalsContact C-N 3.33Å; Q36-K38 PolarHBondContact O-N 3.47Å; Q36-A39 PolarHBondContact O-N 3Å; Q36-N40 PolarHBondContact O-N 3.19Å; Q36-N40 PolarHBondContact O-ND2 3.41Å; Q36-L82 HydrophobicContact CB-CD1 3.72Å; Q36-L82 HydrophobicContact CB-CD2 4.45Å |
| 37 | I | 95.8 | Very high | 93.8 | Very high | 22 Ų | 22 | 79 Ų | 79 | 11% | 0.113 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 174.5 | -71.9 | 168.2 | 0 | 0 | 0 | 109.5 | I33 E34 A39 N40 Y41 L82 Q83 H86 | I33-I37 HydrophobicContact CG2-CD1 3.84Å; I33-I37 HydrophobicContact CG2-CG1 4.33Å; I33-I37 VanDerWaalsContact O-CG1 3.28Å; I33-I37 WeakPolarHBondContact O-CG1 3.18Å; I33-I37 PolarHBondContact O-N 3.28Å; E34-I37 PolarHBondContact O-N 2.75Å; I37-A39 PolarHBondContact O-N 3.35Å; I37-N40 PolarHBondContact O-N 2.86Å; I37-Y41 HydrophobicContact CG2-CD2 3.59Å; I37-Y41 HydrophobicContact CG2-CE2 3.53Å; I37-Y41 VanDerWaalsContact O-CD2 3.32Å; I37-Y41 WeakPolarHBondContact O-CD2 3.25Å; I37-Y41 PolarHBondContact O-N 3.16Å; I37-L82 HydrophobicContact CD1-CB 4.03Å; I37-L82 HydrophobicContact CG1-CB 3.51Å; I37-L82 HydrophobicContact CG1-CD1 4.17Å; I37-L82 HydrophobicContact CG1-CG 4.47Å; I37-Q83 HydrophobicContact CD1-CG 4.11Å; I37-H86 HydrophobicContact CD1-CB 4.27Å |
| 38 | K | 96.2 | Very high | 92.8 | Very high | 138 Ų | 138 | 82.4 Ų | 82.4 | 60% | 0.6 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -57.6 | -47.6 | 178.4 | -174.2 | -177.1 | 176.1 | -173 | 0 | 111.8 | E34 A35 Q36 N40 Y41 D42 | E34-K38 WeakPolarHBondContact O-CB 3.46Å; E34-K38 PolarHBondContact O-N 3.19Å; A35-K38 PolarHBondContact O-N 2.95Å; Q36-K38 VanDerWaalsContact C-N 3.33Å; Q36-K38 PolarHBondContact O-N 3.47Å; K38-N40 VanDerWaalsContact C-N 3.29Å; K38-N40 PolarHBondContact O-N 3.04Å; K38-Y41 WeakPolarHBondContact O-CA 3.3Å; K38-Y41 WeakPolarHBondContact O-CB 3.28Å; K38-Y41 PolarHBondContact O-N 3.08Å; K38-D42 VanDerWaalsContact O-CG 3.26Å; K38-D42 PolarHBondContact O-N 2.85Å |
| 39 | A | 95.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 76.9 Ų | 76.9 | 42% | 0.421 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A35 Q36 I37 D42 V43 | A35-A39 WeakPolarHBondContact O-CB 3.29Å; A35-A39 PolarHBondContact O-N 2.79Å; Q36-A39 PolarHBondContact O-N 3Å; I37-A39 PolarHBondContact O-N 3.35Å; A39-D42 PolarHBondContact O-N 2.75Å; A39-V43 WeakPolarHBondContact O-CG2 3.46Å; A39-V43 PolarHBondContact O-N 3.38Å; A39-V43 VanDerWaalsContact O-N 3.13Å |
| 40 | N | 94.3 | Very high | 91 | Very high | 28 Ų | 28 | 70.2 Ų | 70.2 | 15% | 0.15 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.5 | -33.3 | 175.2 | -74 | -87.3 | 0 | 0 | 0 | 112.2 | Q36 I37 K38 V43 L44 A75 N78 I79 | Q36-N40 PolarHBondContact O-N 3.19Å; Q36-N40 PolarHBondContact O-ND2 3.41Å; I37-N40 PolarHBondContact O-N 2.86Å; K38-N40 VanDerWaalsContact C-N 3.29Å; K38-N40 PolarHBondContact O-N 3.04Å; N40-V43 PolarHBondContact O-N 2.95Å; N40-L44 PolarHBondContact O-N 2.83Å; N40-L44 VanDerWaalsContact O-N 3.13Å; N40-A75 HydrophobicContact CB-CB 4.44Å; N40-N78 PolarHBondContact OD1-ND2 2.93Å; N40-I79 HydrophobicContact CB-CD1 3.83Å; N40-I79 HydrophobicContact CB-CG1 3.48Å; N40-I79 VanDerWaalsContact CB-CG1 3.48Å |
| 41 | Y | 94.1 | Very high | 90.4 | Very high | 81 Ų | 81 | 69.2 Ų | 69.2 | 32% | 0.318 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 171.4 | -88.2 | -72.3 | 0 | 0 | 0 | 111.9 | I37 K38 V43 L44 E45 I79 Q83 | I37-Y41 HydrophobicContact CG2-CD2 3.59Å; I37-Y41 HydrophobicContact CG2-CE2 3.53Å; I37-Y41 VanDerWaalsContact O-CD2 3.32Å; I37-Y41 WeakPolarHBondContact O-CD2 3.25Å; I37-Y41 PolarHBondContact O-N 3.16Å; K38-Y41 WeakPolarHBondContact O-CA 3.3Å; K38-Y41 WeakPolarHBondContact O-CB 3.28Å; K38-Y41 PolarHBondContact O-N 3.08Å; Y41-V43 PolarHBondContact O-N 2.79Å; Y41-L44 CarbonylContact O-C 3.56Å; Y41-L44 WeakPolarHBondContact O-CA 3.48Å; Y41-L44 WeakPolarHBondContact O-CB 3.49Å; Y41-L44 PolarHBondContact O-N 2.88Å; Y41-E45 PolarHBondContact O-N 3.39Å; Y41-I79 HydrophobicContact CD1-CD1 4.21Å; Y41-I79 HydrophobicContact CD2-CD1 4.09Å; Y41-I79 HydrophobicContact CD2-CG1 4.39Å; Y41-I79 HydrophobicContact CE1-CD1 4.3Å; Y41-I79 HydrophobicContact CE2-CD1 4.18Å; Y41-I79 HydrophobicContact CE2-CG1 4.36Å; Y41-I79 HydrophobicContact CE2-CG2 3.81Å; Y41-I79 HydrophobicContact CG-CD1 4.1Å; Y41-Q83 PolarHBondContact OH-NE2 2.89Å |
| 42 | D | 92.8 | Very high | 90.1 | Very high | 79 Ų | 79 | 64.9 Ų | 64.9 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | 176.2 | -61.9 | -21.1 | 0 | 0 | 0 | 110.8 | K38 A39 E45 S46 | K38-D42 VanDerWaalsContact O-CG 3.26Å; K38-D42 PolarHBondContact O-N 2.85Å; A39-D42 PolarHBondContact O-N 2.75Å; D42-E45 PolarHBondContact O-N 3.2Å; D42-S46 PolarHBondContact O-N 2.96Å |
| 43 | V | 91.1 | Very high | 89.6 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 171.9 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | A39 N40 Y41 S46 A75 | A39-V43 WeakPolarHBondContact O-CG2 3.46Å; A39-V43 PolarHBondContact O-N 3.38Å; A39-V43 VanDerWaalsContact O-N 3.13Å; N40-V43 PolarHBondContact O-N 2.95Å; Y41-V43 PolarHBondContact O-N 2.79Å; V43-S46 PolarHBondContact O-N 2.82Å; V43-S46 PolarHBondContact O-OG 2.81Å; V43-A75 HydrophobicContact CG1-CB 4.25Å |
| 44 | L | 89.7 | Confident | 89.2 | Confident | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 176.3 | -69 | 178.4 | 0 | 0 | 0 | 112.4 | N40 Y41 S46 Q47 M52 V72 A75 R76 I79 | N40-L44 PolarHBondContact O-N 2.83Å; N40-L44 VanDerWaalsContact O-N 3.13Å; Y41-L44 CarbonylContact O-C 3.56Å; Y41-L44 WeakPolarHBondContact O-CA 3.48Å; Y41-L44 WeakPolarHBondContact O-CB 3.49Å; Y41-L44 PolarHBondContact O-N 2.88Å; L44-S46 VanDerWaalsContact C-N 3.25Å; L44-S46 PolarHBondContact O-N 3.13Å; L44-Q47 WeakPolarHBondContact O-CB 3.38Å; L44-Q47 PolarHBondContact O-N 2.89Å; L44-M52 HydrophobicContact CD1-SD 3.83Å; L44-V72 HydrophobicContact CD2-CB 4.22Å; L44-V72 HydrophobicContact CD2-CG1 3.83Å; L44-V72 HydrophobicContact CD2-CG2 4.24Å; L44-A75 HydrophobicContact CD2-CB 3.84Å; L44-A75 HydrophobicContact CG-CB 3.97Å; L44-R76 HydrophobicContact CD1-CG 4.27Å; L44-R76 HydrophobicContact CD2-CG 4.2Å; L44-I79 HydrophobicContact CD1-CD1 3.46Å; L44-I79 VanDerWaalsContact CD1-CD1 3.46Å; L44-I79 HydrophobicContact CG-CD1 4.32Å |
| 45 | E | 88.6 | Confident | 89 | Confident | 157 Ų | 157 | 70.4 Ų | 70.4 | 73% | 0.734 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.4 | -30.6 | 178 | -71.7 | -170.8 | 167.5 | 0 | 0 | 112.6 | Y41 D42 Q47 | Y41-E45 PolarHBondContact O-N 3.39Å; D42-E45 PolarHBondContact O-N 3.2Å; E45-Q47 PolarHBondContact O-N 3.33Å |
| 46 | S | 87.9 | Confident | 88.6 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.5 | -22.5 | 173.5 | 80 | 0 | 0 | 0 | 0 | 113.2 | D42 V43 L44 | D42-S46 PolarHBondContact O-N 2.96Å; V43-S46 PolarHBondContact O-N 2.82Å; V43-S46 PolarHBondContact O-OG 2.81Å; L44-S46 VanDerWaalsContact C-N 3.25Å; L44-S46 PolarHBondContact O-N 3.13Å |
| 47 | Q | 83.8 | Confident | 88.3 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 16% | 0.164 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -91.6 | 124.3 | 178.7 | -57.1 | -52.9 | -54.3 | 0 | 0 | 109.8 | L44 E45 G49 I50 V67 V72 | L44-Q47 WeakPolarHBondContact O-CB 3.38Å; L44-Q47 PolarHBondContact O-N 2.89Å; E45-Q47 PolarHBondContact O-N 3.33Å; Q47-G49 PolarHBondContact O-N 3.04Å; Q47-I50 PolarHBondContact O-N 3.44Å; Q47-V67 HydrophobicContact CB-CG1 3.77Å; Q47-V67 HydrophobicContact CG-CG1 4.13Å; Q47-V72 HydrophobicContact CB-CG2 4.07Å; Q47-V72 HydrophobicContact CG-CG2 3.83Å |
| 48 | K | 73.1 | Confident | 87.9 | Confident | 162 Ų | 162 | 70.4 Ų | 70.4 | 70% | 0.704 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.3 | 95.3 | -173.1 | -77.3 | 177.5 | 177 | 177.5 | 0 | 113.7 | I50 | K48-I50 PolarHBondContact O-N 3.04Å; K48-I50 VanDerWaalsContact O-N 3.16Å |
| 49 | G | 74.3 | Confident | 87.5 | Confident | 74 Ų | 74 | 70.2 Ų | 70.2 | 76% | 0.763 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 20.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116 | Q47 | Q47-G49 PolarHBondContact O-N 3.04Š|
| 50 | I | 79.6 | Confident | 87.2 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.015 | 42% | 0.422 | C | S | . | . | trans | -103 | 99.6 | 175.2 | -58.4 | -163.5 | 0 | 0 | 0 | 108.8 | Q47 K48 E54 L56 V67 V72 | Q47-I50 PolarHBondContact O-N 3.44Å; K48-I50 PolarHBondContact O-N 3.04Å; K48-I50 VanDerWaalsContact O-N 3.16Å; I50-E54 HydrophobicContact CG2-CB 4.14Å; I50-L56 HydrophobicContact CD1-CD2 4.35Å; I50-L56 HydrophobicContact CG2-CD2 3.93Å; I50-V67 HydrophobicContact CD1-CB 3.81Å; I50-V67 HydrophobicContact CD1-CG1 3.84Å; I50-V67 HydrophobicContact CD1-CG2 3.5Å; I50-V67 HydrophobicContact CG1-CG2 4.05Å; I50-V72 HydrophobicContact CG2-CG1 3.9Å | ||
| 51 | G | 83.7 | Confident | 86.9 | Confident | 29 Ų | 29 | 76.3 Ų | 76.3 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | trans | -79.4 | -151.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E54 R76 | G51-E54 WeakPolarHBondContact CA-OE2 3.47Å; G51-E54 PolarHBondContact N-OE2 3.21Å; G51-R76 VanDerWaalsContact O-CZ 3.24Å; G51-R76 PolarHBondContact O-NE 2.94Å; G51-R76 PolarHBondContact O-NH2 3.18Å | ||
| 52 | M | 88.7 | Confident | 86.6 | Confident | 34 Ų | 34 | 79.7 Ų | 79.7 | 17% | 0.167 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -78.1 | -25.5 | -173.2 | -161 | 62.4 | -166.5 | 0 | 0 | 113.9 | L44 E54 R76 I79 I80 | L44-M52 HydrophobicContact CD1-SD 3.83Å; M52-E54 PolarHBondContact N-OE2 2.91Å; M52-R76 VanDerWaalsContact CE-CA 3.42Å; M52-R76 HydrophobicContact CE-CB 3.67Å; M52-R76 HydrophobicContact CE-CG 3.95Å; M52-R76 WeakPolarHBondContact CE-O 2.93Å; M52-R76 WeakPolarHBondContact O-CD 3.31Å; M52-R76 PolarHBondContact O-NE 3.42Å; M52-R76 VanDerWaalsContact O-NE 3.15Å; M52-R76 HydrophobicContact SD-CB 4.07Å; M52-R76 HydrophobicContact SD-CG 3.69Å; M52-I79 HydrophobicContact CE-CB 3.93Å; M52-I79 HydrophobicContact CE-CG2 3.9Å; M52-I79 HydrophobicContact SD-CB 4.27Å; M52-I79 HydrophobicContact SD-CD1 3.92Å; M52-I79 HydrophobicContact SD-CG2 4.1Å; M52-I80 HydrophobicContact CE-CD1 3.79Å; M52-I80 HydrophobicContact CE-CG1 3.53Å |
| 53 | N | 87.3 | Confident | 86.5 | Confident | 147 Ų | 147 | 80.1 Ų | 80.1 | 79% | 0.786 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -121.2 | -4.5 | -168.3 | -64.2 | -55.1 | 0 | 0 | 0 | 113.4 | ||
| 54 | E | 88.7 | Confident | 86.4 | Confident | 80 Ų | 80 | 81 Ų | 81 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | trans | -68.3 | 147.2 | -174.6 | -77.7 | 67 | -158.1 | 0 | 0 | 112.1 | I50 G51 M52 R76 | I50-E54 HydrophobicContact CG2-CB 4.14Å; G51-E54 WeakPolarHBondContact CA-OE2 3.47Å; G51-E54 PolarHBondContact N-OE2 3.21Å; M52-E54 PolarHBondContact N-OE2 2.91Å; E54-R76 VanDerWaalsContact N-NH2 3.14Å; E54-R76 VanDerWaalsContact O-CZ 3.31Å; E54-R76 PolarHBondContact O-NH1 3.4Å; E54-R76 PolarHBondContact O-NH2 2.74Å | ||
| 55 | P | 89.6 | Confident | 86.2 | Confident | 81 Ų | 81 | 86.7 Ų | 86.7 | 53% | 0.526 | 50% | 0.499 | S | S | . | . | trans | -63.7 | 136.6 | 177.9 | -19.4 | 31.2 | 0 | 0 | 0 | 112.3 | V57 R64 | P55-V57 VanDerWaalsContact C-N 3.3Å; P55-V57 HydrophobicContact CB-CG2 4.47Å; P55-R64 VanDerWaalsContact O-CZ 3.28Å; P55-R64 PolarHBondContact O-NE 3Å; P55-R64 PolarHBondContact O-NH2 3.18Å | ||
| 56 | L | 89.1 | Confident | 86.1 | Confident | 42 Ų | 42 | 83.3 Ų | 83.3 | 22% | 0.22 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -89.5 | 1.8 | 175.5 | -62.4 | -175.1 | 0 | 0 | 0 | 113.4 | I50 R64 L69 V72 | I50-L56 HydrophobicContact CD1-CD2 4.35Å; I50-L56 HydrophobicContact CG2-CD2 3.93Å; L56-R64 PolarHBondContact O-N 2.8Å; L56-L69 HydrophobicContact CB-CD2 3.69Å; L56-L69 HydrophobicContact CD1-CD2 4.43Å; L56-L69 HydrophobicContact CD2-CD2 4.26Å; L56-L69 HydrophobicContact CG-CD2 4.34Å; L56-L69 WeakPolarHBondContact O-CD2 3.5Å; L56-V72 HydrophobicContact CD2-CB 4.42Å; L56-V72 HydrophobicContact CD2-CG1 3.66Å |
| 57 | V | 89.7 | Confident | 86 | Confident | 67 Ų | 67 | 80.1 Ų | 80.1 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -111.6 | 154.3 | 178 | -64.4 | 0 | 0 | 0 | 0 | 110 | P55 Y62 R64 | P55-V57 VanDerWaalsContact C-N 3.3Å; P55-V57 HydrophobicContact CB-CG2 4.47Å; V57-Y62 CarbonylContact C-O 3.46Å; V57-Y62 WeakPolarHBondContact CA-O 3.27Å; V57-Y62 WeakPolarHBondContact CB-O 3.18Å; V57-R64 PolarHBondContact O-NE 3.35Å; V57-R64 PolarHBondContact O-NH2 3Å |
| 58 | D | 88.1 | Confident | 86.3 | Confident | 55 Ų | 55 | 81.5 Ų | 81.5 | 29% | 0.294 | 47% | 0.471 | S | S | . | . | trans | -77.9 | -174.4 | 171.6 | 64.6 | 20.9 | 0 | 0 | 0 | 111.7 | E60 G61 Y62 R64 | D58-E60 PolarHBondContact O-N 2.78Å; D58-E60 WeakPolarHBondContact OD1-CA 3.1Å; D58-E60 PolarHBondContact OD1-N 2.77Å; D58-G61 PolarHBondContact O-N 3.14Å; D58-G61 PolarHBondContact OD1-N 3.22Å; D58-Y62 PolarHBondContact N-O 3.03Å; D58-Y62 PolarHBondContact OD1-N 3.01Å; D58-R64 HydrophobicContact CB-CG 4.41Å | ||
| 59 | C | 88 | Confident | 87 | Confident | 134 Ų | 134 | 76.2 Ų | 76.2 | 91% | 0.905 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -18.6 | 179.2 | 50.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 60 | E | 89.3 | Confident | 87.8 | Confident | 156 Ų | 156 | 81.2 Ų | 81.2 | 73% | 0.729 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -8.3 | 178.1 | -63.2 | -171.7 | 104.2 | 0 | 0 | 111.8 | D58 Y62 | D58-E60 PolarHBondContact O-N 2.78Å; D58-E60 WeakPolarHBondContact OD1-CA 3.1Å; D58-E60 PolarHBondContact OD1-N 2.77Å; E60-Y62 HydrophobicContact CB-CD2 3.76Å; E60-Y62 HydrophobicContact CB-CE2 4.08Å |
| 61 | G | 87.3 | Confident | 88.3 | Confident | 51 Ų | 51 | 85 Ų | 85 | 53% | 0.526 | 47% | 0.465 | S | S | . | . | S | Bend | trans | 92 | 11.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D58 | D58-G61 PolarHBondContact O-N 3.14Å; D58-G61 PolarHBondContact OD1-N 3.22Å |
| 62 | Y | 88.2 | Confident | 88.7 | Confident | 151 Ų | 151 | 83.7 Ų | 83.7 | 59% | 0.592 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -91.9 | 155.2 | 176.9 | -65.5 | -81 | 0 | 0 | 0 | 111.8 | V57 D58 E60 R64 | V57-Y62 CarbonylContact C-O 3.46Å; V57-Y62 WeakPolarHBondContact CA-O 3.27Å; V57-Y62 WeakPolarHBondContact CB-O 3.18Å; D58-Y62 PolarHBondContact N-O 3.03Å; D58-Y62 PolarHBondContact OD1-N 3.01Å; E60-Y62 HydrophobicContact CB-CD2 3.76Å; E60-Y62 HydrophobicContact CB-CE2 4.08Å; Y62-R64 PolarHBondContact O-N 3.25Å |
| 63 | P | 90.4 | Very high | 88.9 | Confident | 89 Ų | 89 | 91 Ų | 91 | 58% | 0.578 | 48% | 0.477 | S | S | * | . | B | Isolated β-bridge | trans | -61.7 | 130.3 | 177.2 | -18.2 | 30.4 | 0 | 0 | 0 | 111.1 | S65 L69 | P63-S65 PolarHBondContact O-N 3.24Å; P63-L69 HydrophobicContact CB-CD1 3.46Å; P63-L69 VanDerWaalsContact CB-CD1 3.46Å |
| 64 | R | 88.4 | Confident | 89.2 | Confident | 69 Ų | 69 | 86.3 Ų | 86.3 | 26% | 0.26 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 124.9 | 178.4 | -84.3 | -170.9 | -157.6 | -171.2 | 6.5 | 111.8 | P55 L56 V57 D58 Y62 D66 | P55-R64 VanDerWaalsContact O-CZ 3.28Å; P55-R64 PolarHBondContact O-NE 3Å; P55-R64 PolarHBondContact O-NH2 3.18Å; L56-R64 PolarHBondContact O-N 2.8Å; V57-R64 PolarHBondContact O-NE 3.35Å; V57-R64 PolarHBondContact O-NH2 3Å; D58-R64 HydrophobicContact CB-CG 4.41Å; Y62-R64 PolarHBondContact O-N 3.25Å; R64-D66 VanDerWaalsContact CB-OD1 3.25Å; R64-D66 WeakPolarHBondContact CB-OD1 3.44Å |
| 65 | S | 86.3 | Confident | 89.5 | Confident | 125 Ų | 125 | 82.6 Ų | 82.6 | 87% | 0.874 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -87.2 | -12.8 | 178.2 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | P63 V67 | P63-S65 PolarHBondContact O-N 3.24Å; S65-V67 VanDerWaalsContact C-N 3.33Å |
| 66 | D | 85.8 | Confident | 89.7 | Confident | 86 Ų | 86 | 80.4 Ų | 80.4 | 46% | 0.46 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -82.8 | -8.5 | -178.5 | 61.9 | -48.2 | 0 | 0 | 0 | 113.7 | R64 | R64-D66 VanDerWaalsContact CB-OD1 3.25Å; R64-D66 WeakPolarHBondContact CB-OD1 3.44Å |
| 67 | V | 85.9 | Confident | 90 | Very high | 12 Ų | 12 | 84 Ų | 84 | 7% | 0.073 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -136.2 | 145.8 | -176.6 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | Q47 I50 S65 L69 V72 | Q47-V67 HydrophobicContact CB-CG1 3.77Å; Q47-V67 HydrophobicContact CG-CG1 4.13Å; I50-V67 HydrophobicContact CD1-CB 3.81Å; I50-V67 HydrophobicContact CD1-CG1 3.84Å; I50-V67 HydrophobicContact CD1-CG2 3.5Å; I50-V67 HydrophobicContact CG1-CG2 4.05Å; S65-V67 VanDerWaalsContact C-N 3.33Å; V67-L69 PolarHBondContact O-N 2.91Å; V67-V72 HydrophobicContact CG1-CG2 3.58Å |
| 68 | D | 90.5 | Very high | 90.3 | Very high | 64 Ų | 64 | 83.6 Ų | 83.6 | 34% | 0.342 | 43% | 0.429 | S | S | . | . | trans | -74.4 | 94.7 | 170.7 | -170.5 | -27.6 | 0 | 0 | 0 | 111.1 | Y70 Q71 V72 | D68-Y70 PolarHBondContact O-N 3.04Å; D68-Y70 WeakPolarHBondContact OD1-CB 3.4Å; D68-Y70 PolarHBondContact OD1-N 3.38Å; D68-Q71 HydrophobicContact CB-CB 4.13Å; D68-Q71 HydrophobicContact CB-CG 4.33Å; D68-Q71 PolarHBondContact O-N 3.44Å; D68-Q71 PolarHBondContact OD1-N 3.41Å; D68-Q71 WeakPolarHBondContact OD2-CG 3.16Å; D68-Q71 PolarHBondContact OD2-NE2 2.68Å; D68-V72 WeakPolarHBondContact O-CG2 3.42Å; D68-V72 PolarHBondContact O-N 3.32Å | ||
| 69 | L | 87.8 | Confident | 90.7 | Very high | 52 Ų | 52 | 81 Ų | 81 | 27% | 0.272 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.3 | -33 | 179.4 | -64.7 | 164.6 | 0 | 0 | 0 | 113.2 | L56 P63 V67 R73 | L56-L69 HydrophobicContact CB-CD2 3.69Å; L56-L69 HydrophobicContact CD1-CD2 4.43Å; L56-L69 HydrophobicContact CD2-CD2 4.26Å; L56-L69 HydrophobicContact CG-CD2 4.34Å; L56-L69 WeakPolarHBondContact O-CD2 3.5Å; P63-L69 HydrophobicContact CB-CD1 3.46Å; P63-L69 VanDerWaalsContact CB-CD1 3.46Å; V67-L69 PolarHBondContact O-N 2.91Å; L69-R73 WeakPolarHBondContact O-CB 3.41Å; L69-R73 PolarHBondContact O-N 3.02Å |
| 70 | Y | 90.7 | Very high | 91 | Very high | 178 Ų | 178 | 78.6 Ų | 78.6 | 70% | 0.698 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -71.3 | -47.5 | -178.8 | 173.5 | -98.8 | 0 | 0 | 0 | 110.4 | D68 R73 T74 | D68-Y70 PolarHBondContact O-N 3.04Å; D68-Y70 WeakPolarHBondContact OD1-CB 3.4Å; D68-Y70 PolarHBondContact OD1-N 3.38Å; Y70-R73 PolarHBondContact O-N 3.46Å; Y70-T74 WeakPolarHBondContact O-CB 3.47Å; Y70-T74 PolarHBondContact O-N 3.45Å; Y70-T74 PolarHBondContact O-OG1 3.4Å |
| 71 | Q | 90.9 | Very high | 91.3 | Very high | 84 Ų | 84 | 73.6 Ų | 73.6 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 176.7 | -73.6 | -170.9 | 73.9 | 0 | 0 | 111.6 | D68 R73 T74 A75 | D68-Q71 HydrophobicContact CB-CB 4.13Å; D68-Q71 HydrophobicContact CB-CG 4.33Å; D68-Q71 PolarHBondContact O-N 3.44Å; D68-Q71 PolarHBondContact OD1-N 3.41Å; D68-Q71 WeakPolarHBondContact OD2-CG 3.16Å; D68-Q71 PolarHBondContact OD2-NE2 2.68Å; Q71-R73 PolarHBondContact O-N 3.46Å; Q71-T74 PolarHBondContact O-N 3.11Å; Q71-A75 VanDerWaalsContact O-CB 3.32Å; Q71-A75 WeakPolarHBondContact O-CB 3.4Å; Q71-A75 PolarHBondContact O-N 3.31Å |
| 72 | V | 92.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 178.1 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | L44 Q47 I50 L56 V67 D68 T74 A75 R76 | L44-V72 HydrophobicContact CD2-CB 4.22Å; L44-V72 HydrophobicContact CD2-CG1 3.83Å; L44-V72 HydrophobicContact CD2-CG2 4.24Å; Q47-V72 HydrophobicContact CB-CG2 4.07Å; Q47-V72 HydrophobicContact CG-CG2 3.83Å; I50-V72 HydrophobicContact CG2-CG1 3.9Å; L56-V72 HydrophobicContact CD2-CB 4.42Å; L56-V72 HydrophobicContact CD2-CG1 3.66Å; V67-V72 HydrophobicContact CG1-CG2 3.58Å; D68-V72 WeakPolarHBondContact O-CG2 3.42Å; D68-V72 PolarHBondContact O-N 3.32Å; V72-T74 VanDerWaalsContact C-N 3.31Å; V72-T74 PolarHBondContact O-N 3.3Å; V72-A75 PolarHBondContact O-N 3.14Å; V72-R76 HydrophobicContact CG1-CG 4.27Å; V72-R76 WeakPolarHBondContact O-CB 3.37Å; V72-R76 VanDerWaalsContact O-CG 3.27Å; V72-R76 WeakPolarHBondContact O-CG 3.47Å; V72-R76 PolarHBondContact O-N 2.9Å |
| 73 | R | 92.4 | Very high | 92.2 | Very high | 187 Ų | 187 | 68.9 Ų | 68.9 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.6 | -40 | -179.6 | -170.6 | 175.2 | -171.4 | 169.4 | 2.5 | 111.8 | L69 Y70 Q71 H77 | L69-R73 WeakPolarHBondContact O-CB 3.41Å; L69-R73 PolarHBondContact O-N 3.02Å; Y70-R73 PolarHBondContact O-N 3.46Å; Q71-R73 PolarHBondContact O-N 3.46Å; R73-H77 WeakPolarHBondContact O-CB 3.41Å; R73-H77 PolarHBondContact O-N 3.39Å |
| 74 | T | 94.3 | Very high | 92.4 | Very high | 50 Ų | 50 | 69.5 Ų | 69.5 | 31% | 0.307 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66 | -49 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | Y70 Q71 V72 R76 H77 N78 | Y70-T74 WeakPolarHBondContact O-CB 3.47Å; Y70-T74 PolarHBondContact O-N 3.45Å; Y70-T74 PolarHBondContact O-OG1 3.4Å; Q71-T74 PolarHBondContact O-N 3.11Å; V72-T74 VanDerWaalsContact C-N 3.31Å; V72-T74 PolarHBondContact O-N 3.3Å; T74-R76 PolarHBondContact O-N 3.23Å; T74-H77 PolarHBondContact O-N 2.94Å; T74-N78 WeakPolarHBondContact O-CB 3.36Å; T74-N78 PolarHBondContact O-N 2.92Å; T74-N78 PolarHBondContact O-ND2 3.37Å; T74-N78 PolarHBondContact O-OD1 3.42Å |
| 75 | A | 94.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 70.1 Ų | 70.1 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N40 V43 L44 Q71 V72 H77 N78 I79 | N40-A75 HydrophobicContact CB-CB 4.44Å; V43-A75 HydrophobicContact CG1-CB 4.25Å; L44-A75 HydrophobicContact CD2-CB 3.84Å; L44-A75 HydrophobicContact CG-CB 3.97Å; Q71-A75 VanDerWaalsContact O-CB 3.32Å; Q71-A75 WeakPolarHBondContact O-CB 3.4Å; Q71-A75 PolarHBondContact O-N 3.31Å; V72-A75 PolarHBondContact O-N 3.14Å; A75-H77 PolarHBondContact O-N 3.13Å; A75-N78 PolarHBondContact O-N 2.9Å; A75-I79 WeakPolarHBondContact O-CB 3.49Å; A75-I79 WeakPolarHBondContact O-CD1 3.45Å; A75-I79 VanDerWaalsContact O-CG1 3.25Å; A75-I79 WeakPolarHBondContact O-CG1 3.38Å; A75-I79 PolarHBondContact O-N 2.96Å |
| 76 | R | 94.6 | Very high | 93.3 | Very high | 34 Ų | 34 | 66 Ų | 66 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 174.9 | -73.7 | -176.6 | 177.6 | -177.1 | -1.2 | 112 | L44 G51 M52 E54 V72 T74 N78 I79 I80 | L44-R76 HydrophobicContact CD1-CG 4.27Å; L44-R76 HydrophobicContact CD2-CG 4.2Å; G51-R76 VanDerWaalsContact O-CZ 3.24Å; G51-R76 PolarHBondContact O-NE 2.94Å; G51-R76 PolarHBondContact O-NH2 3.18Å; M52-R76 VanDerWaalsContact CE-CA 3.42Å; M52-R76 HydrophobicContact CE-CB 3.67Å; M52-R76 HydrophobicContact CE-CG 3.95Å; M52-R76 WeakPolarHBondContact CE-O 2.93Å; M52-R76 WeakPolarHBondContact O-CD 3.31Å; M52-R76 PolarHBondContact O-NE 3.42Å; M52-R76 VanDerWaalsContact O-NE 3.15Å; M52-R76 HydrophobicContact SD-CB 4.07Å; M52-R76 HydrophobicContact SD-CG 3.69Å; E54-R76 VanDerWaalsContact N-NH2 3.14Å; E54-R76 VanDerWaalsContact O-CZ 3.31Å; E54-R76 PolarHBondContact O-NH1 3.4Å; E54-R76 PolarHBondContact O-NH2 2.74Å; V72-R76 HydrophobicContact CG1-CG 4.27Å; V72-R76 WeakPolarHBondContact O-CB 3.37Å; V72-R76 VanDerWaalsContact O-CG 3.27Å; V72-R76 WeakPolarHBondContact O-CG 3.47Å; V72-R76 PolarHBondContact O-N 2.9Å; T74-R76 PolarHBondContact O-N 3.23Å; R76-N78 PolarHBondContact O-N 3.49Å; R76-I79 PolarHBondContact O-N 2.99Å; R76-I80 WeakPolarHBondContact O-CD1 3.49Å; R76-I80 WeakPolarHBondContact O-CG1 3.28Å; R76-I80 PolarHBondContact O-N 2.94Å; R76-I80 VanDerWaalsContact O-N 3.16Å |
| 77 | H | 95.6 | Very high | 93.8 | Very high | 119 Ų | 119 | 69.4 Ų | 69.4 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.9 | -47.6 | 178.2 | 179.7 | 66.2 | 0 | 0 | 0 | 111.4 | R73 T74 A75 I79 I80 C81 | R73-H77 WeakPolarHBondContact O-CB 3.41Å; R73-H77 PolarHBondContact O-N 3.39Å; T74-H77 PolarHBondContact O-N 2.94Å; A75-H77 PolarHBondContact O-N 3.13Å; H77-I79 PolarHBondContact O-N 2.86Å; H77-I80 PolarHBondContact O-N 3.1Å; H77-C81 VanDerWaalsContact CE1-SG 3.54Å; H77-C81 PolarHBondContact O-N 2.96Å; H77-C81 PolarHBondContact O-SG 3.49Å; H77-C81 VanDerWaalsContact O-SG 3.37Å |
| 78 | N | 95.7 | Very high | 94.2 | Very high | 58 Ų | 58 | 71.2 Ų | 71.2 | 31% | 0.31 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 179.8 | -68.2 | -13.6 | 0 | 0 | 0 | 112 | N40 T74 A75 R76 I80 C81 L82 | N40-N78 PolarHBondContact OD1-ND2 2.93Å; T74-N78 WeakPolarHBondContact O-CB 3.36Å; T74-N78 PolarHBondContact O-N 2.92Å; T74-N78 PolarHBondContact O-ND2 3.37Å; T74-N78 PolarHBondContact O-OD1 3.42Å; A75-N78 PolarHBondContact O-N 2.9Å; R76-N78 PolarHBondContact O-N 3.49Å; N78-I80 VanDerWaalsContact C-N 3.32Å; N78-I80 PolarHBondContact O-N 2.83Å; N78-C81 PolarHBondContact O-N 2.95Å; N78-L82 VanDerWaalsContact O-CB 3.3Å; N78-L82 WeakPolarHBondContact O-CB 3.5Å; N78-L82 VanDerWaalsContact O-CG 3.22Å; N78-L82 WeakPolarHBondContact O-CG 3.36Å; N78-L82 PolarHBondContact O-N 3.25Å |
| 79 | I | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 177.3 | -71.8 | 162.9 | 0 | 0 | 0 | 110.7 | N40 Y41 L44 M52 A75 R76 H77 L82 Q83 | N40-I79 HydrophobicContact CB-CD1 3.83Å; N40-I79 HydrophobicContact CB-CG1 3.48Å; N40-I79 VanDerWaalsContact CB-CG1 3.48Å; Y41-I79 HydrophobicContact CD1-CD1 4.21Å; Y41-I79 HydrophobicContact CD2-CD1 4.09Å; Y41-I79 HydrophobicContact CD2-CG1 4.39Å; Y41-I79 HydrophobicContact CE1-CD1 4.3Å; Y41-I79 HydrophobicContact CE2-CD1 4.18Å; Y41-I79 HydrophobicContact CE2-CG1 4.36Å; Y41-I79 HydrophobicContact CE2-CG2 3.81Å; Y41-I79 HydrophobicContact CG-CD1 4.1Å; L44-I79 HydrophobicContact CD1-CD1 3.46Å; L44-I79 VanDerWaalsContact CD1-CD1 3.46Å; L44-I79 HydrophobicContact CG-CD1 4.32Å; M52-I79 HydrophobicContact CE-CB 3.93Å; M52-I79 HydrophobicContact CE-CG2 3.9Å; M52-I79 HydrophobicContact SD-CB 4.27Å; M52-I79 HydrophobicContact SD-CD1 3.92Å; M52-I79 HydrophobicContact SD-CG2 4.1Å; A75-I79 WeakPolarHBondContact O-CB 3.49Å; A75-I79 WeakPolarHBondContact O-CD1 3.45Å; A75-I79 VanDerWaalsContact O-CG1 3.25Å; A75-I79 WeakPolarHBondContact O-CG1 3.38Å; A75-I79 PolarHBondContact O-N 2.96Å; R76-I79 PolarHBondContact O-N 2.99Å; H77-I79 PolarHBondContact O-N 2.86Å; I79-L82 PolarHBondContact O-N 3.48Å; I79-Q83 HydrophobicContact CG2-CG 4.19Å; I79-Q83 VanDerWaalsContact O-CB 3.26Å; I79-Q83 WeakPolarHBondContact O-CB 3.28Å; I79-Q83 WeakPolarHBondContact O-CG 3.2Å; I79-Q83 PolarHBondContact O-N 3.46Å |
| 80 | I | 95.9 | Very high | 94.9 | Very high | 84 Ų | 84 | 69.8 Ų | 69.8 | 43% | 0.431 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | -180 | -67.4 | 163.3 | 0 | 0 | 0 | 110.7 | M52 R76 H77 N78 Q83 N84 | M52-I80 HydrophobicContact CE-CD1 3.79Å; M52-I80 HydrophobicContact CE-CG1 3.53Å; R76-I80 WeakPolarHBondContact O-CD1 3.49Å; R76-I80 WeakPolarHBondContact O-CG1 3.28Å; R76-I80 PolarHBondContact O-N 2.94Å; R76-I80 VanDerWaalsContact O-N 3.16Å; H77-I80 PolarHBondContact O-N 3.1Å; N78-I80 VanDerWaalsContact C-N 3.32Å; N78-I80 PolarHBondContact O-N 2.83Å; I80-Q83 PolarHBondContact O-N 3.05Å; I80-N84 PolarHBondContact O-N 3.31Å; I80-N84 VanDerWaalsContact O-N 3.1Å; I80-N84 PolarHBondContact O-ND2 2.94Å; I80-N84 VanDerWaalsContact O-ND2 3.13Å |
| 81 | C | 95.8 | Very high | 95.1 | Very high | 51 Ų | 51 | 67.2 Ų | 67.2 | 35% | 0.345 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.8 | -49.7 | 177.7 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | H77 N78 Q83 N84 D85 | H77-C81 VanDerWaalsContact CE1-SG 3.54Å; H77-C81 PolarHBondContact O-N 2.96Å; H77-C81 PolarHBondContact O-SG 3.49Å; H77-C81 VanDerWaalsContact O-SG 3.37Å; N78-C81 PolarHBondContact O-N 2.95Å; C81-Q83 VanDerWaalsContact C-N 3.34Å; C81-Q83 PolarHBondContact O-N 2.93Å; C81-N84 WeakPolarHBondContact O-CB 3.33Å; C81-N84 PolarHBondContact O-N 3.39Å; C81-N84 VanDerWaalsContact O-N 3.17Å; C81-D85 PolarHBondContact O-N 3.14Å |
| 82 | L | 97 | Very high | 95.2 | Very high | 20 Ų | 20 | 67.4 Ų | 67.4 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 179.8 | -70 | 169.7 | 0 | 0 | 0 | 112.8 | I33 Q36 I37 N78 I79 D85 H86 | I33-L82 HydrophobicContact CG2-CB 4.18Å; I33-L82 HydrophobicContact CG2-CD2 4.25Å; I33-L82 WeakPolarHBondContact CG2-O 3.29Å; Q36-L82 HydrophobicContact CB-CD1 3.72Å; Q36-L82 HydrophobicContact CB-CD2 4.45Å; I37-L82 HydrophobicContact CD1-CB 4.03Å; I37-L82 HydrophobicContact CG1-CB 3.51Å; I37-L82 HydrophobicContact CG1-CD1 4.17Å; I37-L82 HydrophobicContact CG1-CG 4.47Å; N78-L82 VanDerWaalsContact O-CB 3.3Å; N78-L82 WeakPolarHBondContact O-CB 3.5Å; N78-L82 VanDerWaalsContact O-CG 3.22Å; N78-L82 WeakPolarHBondContact O-CG 3.36Å; N78-L82 PolarHBondContact O-N 3.25Å; I79-L82 PolarHBondContact O-N 3.48Å; L82-D85 PolarHBondContact O-N 3.3Å; L82-H86 VanDerWaalsContact O-CB 3.28Å; L82-H86 WeakPolarHBondContact O-CB 3.36Å; L82-H86 PolarHBondContact O-N 2.98Å |
| 83 | Q | 95.8 | Very high | 95.3 | Very high | 82 Ų | 82 | 68.2 Ų | 68.2 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 174.2 | -80 | 177.5 | -10.5 | 0 | 0 | 111.9 | I37 Y41 I79 I80 C81 K87 | I37-Q83 HydrophobicContact CD1-CG 4.11Å; Y41-Q83 PolarHBondContact OH-NE2 2.89Å; I79-Q83 HydrophobicContact CG2-CG 4.19Å; I79-Q83 VanDerWaalsContact O-CB 3.26Å; I79-Q83 WeakPolarHBondContact O-CB 3.28Å; I79-Q83 WeakPolarHBondContact O-CG 3.2Å; I79-Q83 PolarHBondContact O-N 3.46Å; I80-Q83 PolarHBondContact O-N 3.05Å; C81-Q83 VanDerWaalsContact C-N 3.34Å; C81-Q83 PolarHBondContact O-N 2.93Å; Q83-K87 WeakPolarHBondContact O-CB 3.44Å; Q83-K87 PolarHBondContact O-N 3.48Å |
| 84 | N | 96 | Very high | 95.3 | Very high | 102 Ų | 102 | 64.7 Ų | 64.7 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 173.8 | -69.6 | -36.1 | 0 | 0 | 0 | 111.2 | I80 C81 K87 A88 | I80-N84 PolarHBondContact O-N 3.31Å; I80-N84 VanDerWaalsContact O-N 3.1Å; I80-N84 PolarHBondContact O-ND2 2.94Å; I80-N84 VanDerWaalsContact O-ND2 3.13Å; C81-N84 WeakPolarHBondContact O-CB 3.33Å; C81-N84 PolarHBondContact O-N 3.39Å; C81-N84 VanDerWaalsContact O-N 3.17Å; N84-K87 PolarHBondContact O-N 3.3Å; N84-A88 PolarHBondContact O-N 2.93Å |
| 85 | D | 95.6 | Very high | 95.2 | Very high | 82 Ų | 82 | 66.5 Ų | 66.5 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.3 | -69.9 | -19.5 | 0 | 0 | 0 | 111.7 | I33 C81 L82 K87 A88 V89 | I33-D85 HydrophobicContact CD1-CB 4.25Å; C81-D85 PolarHBondContact O-N 3.14Å; L82-D85 PolarHBondContact O-N 3.3Å; D85-K87 VanDerWaalsContact C-N 3.32Å; D85-K87 PolarHBondContact O-N 2.92Å; D85-A88 WeakPolarHBondContact O-CB 3.48Å; D85-A88 PolarHBondContact O-N 2.88Å; D85-A88 VanDerWaalsContact O-N 3.1Å; D85-V89 WeakPolarHBondContact O-CG2 3.36Å; D85-V89 PolarHBondContact O-N 3.46Å |
| 86 | H | 96.3 | Very high | 95.1 | Very high | 40 Ų | 40 | 66.7 Ų | 66.7 | 19% | 0.185 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | 174.6 | 179.2 | -94.6 | 0 | 0 | 0 | 111.3 | I33 E34 I37 L82 A88 V89 M90 | I33-H86 HydrophobicContact CG2-CB 3.79Å; E34-H86 WeakPolarHBondContact CG-NE2 2.84Å; E34-H86 IonicContact OE1-CD2 3.44Å; E34-H86 IonicContact OE1-CE1 3.7Å; E34-H86 IonicContact OE1-NE2 3.56Å; E34-H86 PolarHBondContact OE1-NE2 3.11Å; I37-H86 HydrophobicContact CD1-CB 4.27Å; L82-H86 VanDerWaalsContact O-CB 3.28Å; L82-H86 WeakPolarHBondContact O-CB 3.36Å; L82-H86 PolarHBondContact O-N 2.98Å; H86-A88 VanDerWaalsContact C-N 3.3Å; H86-A88 PolarHBondContact O-N 2.66Å; H86-V89 PolarHBondContact O-N 3.36Å; H86-M90 WeakPolarHBondContact O-CB 3.43Å; H86-M90 WeakPolarHBondContact O-CG 3.38Å; H86-M90 PolarHBondContact O-N 3.38Å |
| 87 | K | 96.4 | Very high | 94.9 | Very high | 156 Ų | 156 | 68.5 Ų | 68.5 | 68% | 0.678 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.1 | -39.6 | 175.2 | -174.7 | 177.9 | -179.8 | 178.8 | 0 | 111.8 | Q83 N84 D85 K91 | Q83-K87 WeakPolarHBondContact O-CB 3.44Å; Q83-K87 PolarHBondContact O-N 3.48Å; N84-K87 PolarHBondContact O-N 3.3Å; D85-K87 VanDerWaalsContact C-N 3.32Å; D85-K87 PolarHBondContact O-N 2.92Å; K87-K91 PolarHBondContact O-N 2.83Å; K87-K91 VanDerWaalsContact O-N 3.15Å |
| 88 | A | 96.1 | Very high | 94.7 | Very high | 50 Ų | 50 | 68.3 Ų | 68.3 | 41% | 0.413 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N84 D85 H86 K91 Q92 | N84-A88 PolarHBondContact O-N 2.93Å; D85-A88 WeakPolarHBondContact O-CB 3.48Å; D85-A88 PolarHBondContact O-N 2.88Å; D85-A88 VanDerWaalsContact O-N 3.1Å; H86-A88 VanDerWaalsContact C-N 3.3Å; H86-A88 PolarHBondContact O-N 2.66Å; A88-K91 WeakPolarHBondContact O-CB 3.4Å; A88-K91 PolarHBondContact O-N 3.04Å; A88-Q92 WeakPolarHBondContact O-CG 3.4Å; A88-Q92 PolarHBondContact O-N 3.02Å; A88-Q92 VanDerWaalsContact O-N 3.07Å |
| 89 | V | 95.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.03 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.9 | -42 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L26 R29 K30 I33 D85 H86 K91 Q92 V93 | L26-V89 WeakPolarHBondContact O-CG1 3.35Å; R29-V89 HydrophobicContact CG-CG2 4.43Å; K30-V89 HydrophobicContact CB-CG1 4.01Å; I33-V89 HydrophobicContact CD1-CG2 3.84Å; D85-V89 WeakPolarHBondContact O-CG2 3.36Å; D85-V89 PolarHBondContact O-N 3.46Å; H86-V89 PolarHBondContact O-N 3.36Å; V89-K91 VanDerWaalsContact C-N 3.29Å; V89-K91 PolarHBondContact O-N 3.46Å; V89-Q92 WeakPolarHBondContact O-CB 3.49Å; V89-Q92 PolarHBondContact O-N 3.07Å; V89-Q92 VanDerWaalsContact O-N 3.1Å; V89-V93 HydrophobicContact CG1-CG2 4.4Å; V89-V93 WeakPolarHBondContact O-CG2 3.31Å; V89-V93 PolarHBondContact O-N 3.38Å |
| 90 | M | 95.3 | Very high | 94.1 | Very high | 82 Ų | 82 | 71.8 Ų | 71.8 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 175.5 | -79.7 | -67.6 | -73.4 | 0 | 0 | 112.1 | K30 H86 V93 E94 | K30-M90 HydrophobicContact CD-SD 3.61Å; K30-M90 WeakPolarHBondContact CE-SD 3.37Å; K30-M90 HydrophobicContact CG-SD 4.34Å; H86-M90 WeakPolarHBondContact O-CB 3.43Å; H86-M90 WeakPolarHBondContact O-CG 3.38Å; H86-M90 PolarHBondContact O-N 3.38Å; M90-V93 PolarHBondContact O-N 3.4Å; M90-E94 PolarHBondContact O-N 3.45Å |
| 91 | K | 96.3 | Very high | 93.8 | Very high | 123 Ų | 123 | 73.1 Ų | 73.1 | 54% | 0.535 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 174.8 | -174.9 | -179 | 172.6 | -171.3 | 0 | 111.9 | K87 A88 V89 E94 E95 | K87-K91 PolarHBondContact O-N 2.83Å; K87-K91 VanDerWaalsContact O-N 3.15Å; A88-K91 WeakPolarHBondContact O-CB 3.4Å; A88-K91 PolarHBondContact O-N 3.04Å; V89-K91 VanDerWaalsContact C-N 3.29Å; V89-K91 PolarHBondContact O-N 3.46Å; K91-E94 PolarHBondContact O-N 3.35Å; K91-E95 WeakPolarHBondContact CE-OE1 3.37Å; K91-E95 IonicContact NZ-OE1 2.73Å; K91-E95 WeakPolarHBondContact O-CG 3.46Å; K91-E95 PolarHBondContact O-N 3.23Å |
| 92 | Q | 93.2 | Very high | 93.5 | Very high | 89 Ų | 89 | 73.6 Ų | 73.6 | 42% | 0.416 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.2 | -70.3 | 174.7 | -7.5 | 0 | 0 | 112.1 | L26 A88 V89 E95 A96 | L26-Q92 HydrophobicContact CD1-CB 4.15Å; L26-Q92 HydrophobicContact CD2-CB 4.21Å; A88-Q92 WeakPolarHBondContact O-CG 3.4Å; A88-Q92 PolarHBondContact O-N 3.02Å; A88-Q92 VanDerWaalsContact O-N 3.07Å; V89-Q92 WeakPolarHBondContact O-CB 3.49Å; V89-Q92 PolarHBondContact O-N 3.07Å; V89-Q92 VanDerWaalsContact O-N 3.1Å; Q92-E95 PolarHBondContact O-N 3.48Å; Q92-A96 WeakPolarHBondContact O-CB 3.33Å; Q92-A96 PolarHBondContact O-N 3.44Å |
| 93 | V | 93.5 | Very high | 92.9 | Very high | 17 Ų | 17 | 80 Ų | 80 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L26 M27 V89 M90 A96 L97 | L26-V93 HydrophobicContact CB-CG2 3.6Å; L26-V93 HydrophobicContact CD1-CG2 4.41Å; M27-V93 HydrophobicContact CE-CG1 4.34Å; V89-V93 HydrophobicContact CG1-CG2 4.4Å; V89-V93 WeakPolarHBondContact O-CG2 3.31Å; V89-V93 PolarHBondContact O-N 3.38Å; M90-V93 PolarHBondContact O-N 3.4Å; V93-A96 PolarHBondContact O-N 3.49Å; V93-L97 WeakPolarHBondContact O-CB 3.37Å; V93-L97 PolarHBondContact O-N 2.96Å |
| 94 | E | 92.8 | Very high | 92.4 | Very high | 112 Ų | 112 | 80.4 Ų | 80.4 | 52% | 0.523 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.1 | -49.9 | 177.2 | -176.7 | -173.3 | 169.8 | 0 | 0 | 111.7 | M90 K91 A96 L97 H98 | M90-E94 PolarHBondContact O-N 3.45Å; K91-E94 PolarHBondContact O-N 3.35Å; E94-A96 PolarHBondContact O-N 2.91Å; E94-L97 PolarHBondContact O-N 3.42Å; E94-H98 PolarHBondContact O-N 3.06Å; E94-H98 PolarHBondContact O-ND1 2.91Å; E94-H98 IonicContact OE1-CE1 2.63Å |
| 95 | E | 92.5 | Very high | 92.1 | Very high | 89 Ų | 89 | 83 Ų | 83 | 42% | 0.416 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 178.6 | -72.4 | 174.3 | -179 | 0 | 0 | 111.9 | K91 Q92 H98 Q99 | K91-E95 WeakPolarHBondContact CE-OE1 3.37Å; K91-E95 IonicContact NZ-OE1 2.73Å; K91-E95 WeakPolarHBondContact O-CG 3.46Å; K91-E95 PolarHBondContact O-N 3.23Å; Q92-E95 PolarHBondContact O-N 3.48Å; E95-H98 PolarHBondContact O-N 3.14Å; E95-Q99 VanDerWaalsContact O-CG 3.3Å; E95-Q99 WeakPolarHBondContact O-CG 3.42Å; E95-Q99 PolarHBondContact O-N 3.15Å; E95-Q99 VanDerWaalsContact O-N 3.07Å |
| 96 | A | 91.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 84 Ų | 84 | 4% | 0.041 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V18 V23 L26 Q92 V93 E94 Q99 L100 | V18-A96 HydrophobicContact CG1-CB 3.68Å; V23-A96 HydrophobicContact CG2-CB 3.78Å; L26-A96 HydrophobicContact CD1-CB 4.19Å; Q92-A96 WeakPolarHBondContact O-CB 3.33Å; Q92-A96 PolarHBondContact O-N 3.44Å; V93-A96 PolarHBondContact O-N 3.49Å; E94-A96 PolarHBondContact O-N 2.91Å; A96-Q99 PolarHBondContact O-N 3.07Å; A96-L100 PolarHBondContact O-N 3.36Å; A96-L100 VanDerWaalsContact O-N 3.14Å |
| 97 | L | 90.7 | Very high | 91.2 | Very high | 73 Ų | 73 | 88.3 Ų | 88.3 | 38% | 0.382 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 177.7 | -171.9 | 63.5 | 0 | 0 | 0 | 111.6 | V93 E94 Q99 L100 H101 | V93-L97 WeakPolarHBondContact O-CB 3.37Å; V93-L97 PolarHBondContact O-N 2.96Å; E94-L97 PolarHBondContact O-N 3.42Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.1Å; L97-L100 PolarHBondContact O-N 3.31Å; L97-H101 VanDerWaalsContact CD1-NE2 3.33Å; L97-H101 WeakPolarHBondContact CD1-NE2 3.49Å; L97-H101 PolarHBondContact O-CD2 3.41Å; L97-H101 PolarHBondContact O-N 3.32Å |
| 98 | H | 91 | Very high | 90.5 | Very high | 114 Ų | 114 | 86.8 Ų | 86.8 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 175.1 | -73.1 | 155.5 | 0 | 0 | 0 | 112.4 | E94 E95 A102 | E94-H98 PolarHBondContact O-N 3.06Å; E94-H98 PolarHBondContact O-ND1 2.91Å; E94-H98 IonicContact OE1-CE1 2.63Å; E95-H98 PolarHBondContact O-N 3.14Å; H98-A102 VanDerWaalsContact O-CB 3.22Å; H98-A102 WeakPolarHBondContact O-CB 3.41Å; H98-A102 PolarHBondContact O-N 3.05Å |
| 99 | Q | 90.4 | Very high | 90.1 | Very high | 105 Ų | 105 | 86.9 Ų | 86.9 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 177.7 | -71.8 | 174.7 | 38.7 | 0 | 0 | 112.6 | E95 A96 L97 A102 R103 | E95-Q99 VanDerWaalsContact O-CG 3.3Å; E95-Q99 WeakPolarHBondContact O-CG 3.42Å; E95-Q99 PolarHBondContact O-N 3.15Å; E95-Q99 VanDerWaalsContact O-N 3.07Å; A96-Q99 PolarHBondContact O-N 3.07Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.1Å; Q99-A102 PolarHBondContact O-N 3.19Å; Q99-R103 WeakPolarHBondContact O-CB 3.4Å; Q99-R103 PolarHBondContact O-N 2.85Å |
| 100 | L | 89.3 | Confident | 89.6 | Confident | 27 Ų | 27 | 93.9 Ų | 93.9 | 14% | 0.141 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.2 | -50 | 175.7 | -77.9 | 174.4 | 0 | 0 | 0 | 111.6 | V18 V20 V23 A96 L97 A102 R103 D104 | V18-L100 WeakPolarHBondContact O-CD2 3.5Å; V20-L100 HydrophobicContact CG2-CD1 4.28Å; V20-L100 HydrophobicContact CG2-CD2 4.46Å; V23-L100 HydrophobicContact CG2-CD1 3.64Å; A96-L100 PolarHBondContact O-N 3.36Å; A96-L100 VanDerWaalsContact O-N 3.14Å; L97-L100 PolarHBondContact O-N 3.31Å; L100-A102 PolarHBondContact O-N 3.43Å; L100-R103 WeakPolarHBondContact O-CB 3.36Å; L100-R103 PolarHBondContact O-N 3.33Å; L100-D104 PolarHBondContact O-N 3.03Å |
| 101 | H | 88.6 | Confident | 89.1 | Confident | 111 Ų | 111 | 93.9 Ų | 93.9 | 51% | 0.514 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.7 | -35.8 | 179.8 | -71.8 | -63.4 | 0 | 0 | 0 | 113.2 | L97 R103 D104 K105 | L97-H101 VanDerWaalsContact CD1-NE2 3.33Å; L97-H101 WeakPolarHBondContact CD1-NE2 3.49Å; L97-H101 PolarHBondContact O-CD2 3.41Å; L97-H101 PolarHBondContact O-N 3.32Å; H101-R103 VanDerWaalsContact C-N 3.31Å; H101-D104 PolarHBondContact O-N 3.36Å; H101-K105 VanDerWaalsContact O-CB 3.22Å; H101-K105 WeakPolarHBondContact O-CB 3.48Å; H101-K105 PolarHBondContact O-N 2.93Å |
| 102 | A | 89.8 | Confident | 88.6 | Confident | 61 Ų | 61 | 93.7 Ų | 93.7 | 50% | 0.504 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | H98 Q99 L100 K105 E106 | H98-A102 VanDerWaalsContact O-CB 3.22Å; H98-A102 WeakPolarHBondContact O-CB 3.41Å; H98-A102 PolarHBondContact O-N 3.05Å; Q99-A102 PolarHBondContact O-N 3.19Å; L100-A102 PolarHBondContact O-N 3.43Å; A102-K105 PolarHBondContact O-N 3.03Å; A102-E106 WeakPolarHBondContact O-CB 3.32Å; A102-E106 PolarHBondContact O-N 3.3Å |
| 103 | R | 84.3 | Confident | 88.2 | Confident | 154 Ų | 154 | 92.3 Ų | 92.3 | 58% | 0.581 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.9 | -45 | 177.1 | -174.3 | -177 | 175.4 | 106.3 | -1 | 112.2 | Q99 L100 H101 K105 E106 K107 | Q99-R103 WeakPolarHBondContact O-CB 3.4Å; Q99-R103 PolarHBondContact O-N 2.85Å; L100-R103 WeakPolarHBondContact O-CB 3.36Å; L100-R103 PolarHBondContact O-N 3.33Å; H101-R103 VanDerWaalsContact C-N 3.31Å; R103-K105 VanDerWaalsContact C-N 3.33Å; R103-K105 PolarHBondContact O-N 2.9Å; R103-E106 PolarHBondContact O-N 2.96Å; R103-K107 WeakPolarHBondContact O-CB 3.22Å; R103-K107 PolarHBondContact O-N 2.73Å |
| 104 | D | 86.1 | Confident | 87.8 | Confident | 91 Ų | 91 | 97.1 Ų | 97.1 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 178.1 | -74.2 | -21 | 0 | 0 | 0 | 111.4 | L100 H101 K107 Q108 | L100-D104 PolarHBondContact O-N 3.03Å; H101-D104 PolarHBondContact O-N 3.36Å; D104-K107 PolarHBondContact O-N 2.83Å; D104-Q108 VanDerWaalsContact O-CB 3.25Å; D104-Q108 WeakPolarHBondContact O-CB 3.34Å; D104-Q108 PolarHBondContact O-N 3.26Å |
| 105 | K | 88.8 | Confident | 87.3 | Confident | 157 Ų | 157 | 94.3 Ų | 94.3 | 68% | 0.683 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | 174.8 | -175 | 178.6 | -178.8 | -179.5 | 0 | 112 | H101 A102 R103 A109 | H101-K105 VanDerWaalsContact O-CB 3.22Å; H101-K105 WeakPolarHBondContact O-CB 3.48Å; H101-K105 PolarHBondContact O-N 2.93Å; A102-K105 PolarHBondContact O-N 3.03Å; R103-K105 VanDerWaalsContact C-N 3.33Å; R103-K105 PolarHBondContact O-N 2.9Å; K105-A109 VanDerWaalsContact O-CB 3.31Å; K105-A109 WeakPolarHBondContact O-CB 3.49Å; K105-A109 PolarHBondContact O-N 3.27Å |
| 106 | E | 86.3 | Confident | 86.6 | Confident | 103 Ų | 103 | 96.3 Ų | 96.3 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 176.4 | -173.6 | -178.8 | -162.7 | 0 | 0 | 111.4 | A102 R103 A109 R110 | A102-E106 WeakPolarHBondContact O-CB 3.32Å; A102-E106 PolarHBondContact O-N 3.3Å; R103-E106 PolarHBondContact O-N 2.96Å; E106-A109 PolarHBondContact O-N 3.13Å; E106-R110 VanDerWaalsContact CD-NH2 3.27Å; E106-R110 WeakPolarHBondContact O-CG 3.25Å; E106-R110 PolarHBondContact O-N 2.97Å; E106-R110 IonicContact OE1-CZ 2.75Å; E106-R110 IonicContact OE1-NE 3.71Å; E106-R110 IonicContact OE1-NH2 3.66Å; E106-R110 PolarHBondContact OE1-NH2 2.75Å; E106-R110 IonicContact OE2-NH2 3.9Å |
| 107 | K | 85.8 | Confident | 86.1 | Confident | 130 Ų | 130 | 103.8 Ų | 103.8 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60 | -48.5 | 176.1 | -172.8 | -176.9 | 175 | -170.5 | 0 | 111 | R103 D104 A109 R110 D111 | R103-K107 WeakPolarHBondContact O-CB 3.22Å; R103-K107 PolarHBondContact O-N 2.73Å; D104-K107 PolarHBondContact O-N 2.83Å; K107-A109 VanDerWaalsContact C-N 3.3Å; K107-A109 PolarHBondContact O-N 3.43Å; K107-R110 WeakPolarHBondContact O-CB 3.33Å; K107-R110 PolarHBondContact O-N 3.37Å; K107-R110 VanDerWaalsContact O-N 3.14Å; K107-D111 PolarHBondContact O-N 3Å |
| 108 | Q | 83.1 | Confident | 85.6 | Confident | 125 Ų | 125 | 106.3 Ų | 106.3 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -38.6 | 178 | -168.2 | 178.7 | 21.7 | 0 | 0 | 112.1 | D104 M112 | D104-Q108 VanDerWaalsContact O-CB 3.25Å; D104-Q108 WeakPolarHBondContact O-CB 3.34Å; D104-Q108 PolarHBondContact O-N 3.26Å; Q108-M112 HydrophobicContact CG-CE 4.49Å; Q108-M112 WeakPolarHBondContact O-CB 3.22Å; Q108-M112 VanDerWaalsContact O-CG 3.32Å; Q108-M112 WeakPolarHBondContact O-CG 3.41Å; Q108-M112 PolarHBondContact O-N 3.17Å |
| 109 | A | 87.3 | Confident | 84.9 | Confident | 51 Ų | 51 | 103.4 Ų | 103.4 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K105 E106 K107 A113 | K105-A109 VanDerWaalsContact O-CB 3.31Å; K105-A109 WeakPolarHBondContact O-CB 3.49Å; K105-A109 PolarHBondContact O-N 3.27Å; E106-A109 PolarHBondContact O-N 3.13Å; K107-A109 VanDerWaalsContact C-N 3.3Å; K107-A109 PolarHBondContact O-N 3.43Å; A109-A113 WeakPolarHBondContact O-CB 3.5Å; A109-A113 PolarHBondContact O-N 3.1Å |
| 110 | R | 85.5 | Confident | 83.9 | Confident | 153 Ų | 153 | 103.6 Ų | 103.6 | 58% | 0.577 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64 | -48.5 | 174.7 | -71.6 | 175.7 | -172.3 | -173.5 | 3.4 | 111.3 | E106 K107 M112 A113 E114 | E106-R110 VanDerWaalsContact CD-NH2 3.27Å; E106-R110 WeakPolarHBondContact O-CG 3.25Å; E106-R110 PolarHBondContact O-N 2.97Å; E106-R110 IonicContact OE1-CZ 2.75Å; E106-R110 IonicContact OE1-NE 3.71Å; E106-R110 IonicContact OE1-NH2 3.66Å; E106-R110 PolarHBondContact OE1-NH2 2.75Å; E106-R110 IonicContact OE2-NH2 3.9Å; K107-R110 WeakPolarHBondContact O-CB 3.33Å; K107-R110 PolarHBondContact O-N 3.37Å; K107-R110 VanDerWaalsContact O-N 3.14Å; R110-M112 VanDerWaalsContact C-N 3.3Å; R110-M112 PolarHBondContact O-N 3.36Å; R110-A113 PolarHBondContact O-N 3.4Å; R110-A113 VanDerWaalsContact O-N 3.1Å; R110-E114 WeakPolarHBondContact O-CB 3.42Å; R110-E114 PolarHBondContact O-N 3.02Å |
| 111 | D | 85.5 | Confident | 83 | Confident | 81 Ų | 81 | 107.7 Ų | 107.7 | 43% | 0.433 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 179.1 | -62.9 | -10.2 | 0 | 0 | 0 | 110.9 | K107 E114 A115 | K107-D111 PolarHBondContact O-N 3Å; D111-E114 PolarHBondContact O-N 3.19Å; D111-A115 WeakPolarHBondContact O-CB 3.07Å; D111-A115 PolarHBondContact O-N 3.4Å |
| 112 | M | 84.2 | Confident | 81.9 | Confident | 119 Ų | 119 | 111 Ų | 111 | 59% | 0.586 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.9 | -39.5 | 173.6 | -77.3 | -166.5 | -61.8 | 0 | 0 | 113 | Q108 R110 H116 | Q108-M112 HydrophobicContact CG-CE 4.49Å; Q108-M112 WeakPolarHBondContact O-CB 3.22Å; Q108-M112 VanDerWaalsContact O-CG 3.32Å; Q108-M112 WeakPolarHBondContact O-CG 3.41Å; Q108-M112 PolarHBondContact O-N 3.17Å; R110-M112 VanDerWaalsContact C-N 3.3Å; R110-M112 PolarHBondContact O-N 3.36Å; M112-H116 WeakPolarHBondContact O-CB 3.47Å; M112-H116 PolarHBondContact O-N 3.3Å |
| 113 | A | 85.1 | Confident | 80.5 | Confident | 61 Ų | 61 | 115.4 Ų | 115.4 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.4 | -38.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A109 R110 H116 K117 | A109-A113 WeakPolarHBondContact O-CB 3.5Å; A109-A113 PolarHBondContact O-N 3.1Å; R110-A113 PolarHBondContact O-N 3.4Å; R110-A113 VanDerWaalsContact O-N 3.1Å; A113-H116 PolarHBondContact O-N 3.1Å; A113-K117 WeakPolarHBondContact O-CB 3.5Å; A113-K117 PolarHBondContact O-N 3.41Å |
| 114 | E | 85.9 | Confident | 79.1 | Confident | 117 Ų | 117 | 112.3 Ų | 112.3 | 55% | 0.547 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66 | -47.8 | 174.6 | -173 | 165.3 | -161.4 | 0 | 0 | 111.2 | R110 D111 H116 K117 E118 | R110-E114 WeakPolarHBondContact O-CB 3.42Å; R110-E114 PolarHBondContact O-N 3.02Å; D111-E114 PolarHBondContact O-N 3.19Å; E114-H116 VanDerWaalsContact C-N 3.29Å; E114-H116 PolarHBondContact O-N 2.95Å; E114-K117 CarbonylContact O-C 3.58Å; E114-K117 WeakPolarHBondContact O-CA 3.41Å; E114-K117 WeakPolarHBondContact O-CB 3.5Å; E114-K117 PolarHBondContact O-N 3.26Å; E114-E118 WeakPolarHBondContact O-CG 3.35Å; E114-E118 PolarHBondContact O-N 3.48Å |
| 115 | A | 82.1 | Confident | 77.4 | Confident | 54 Ų | 54 | 113.5 Ų | 113.5 | 45% | 0.446 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.3 | -38.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | D111 A119 | D111-A115 WeakPolarHBondContact O-CB 3.07Å; D111-A115 PolarHBondContact O-N 3.4Å; A115-A119 WeakPolarHBondContact O-CB 3.3Å; A115-A119 PolarHBondContact O-N 2.78Å |
| 116 | H | 78.1 | Confident | 75.5 | Confident | 131 Ų | 131 | 112.1 Ų | 112.1 | 61% | 0.606 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.9 | -41.1 | 174.4 | -176.1 | -83.6 | 0 | 0 | 0 | 111.8 | M112 A113 E114 A119 M120 | M112-H116 WeakPolarHBondContact O-CB 3.47Å; M112-H116 PolarHBondContact O-N 3.3Å; A113-H116 PolarHBondContact O-N 3.1Å; E114-H116 VanDerWaalsContact C-N 3.29Å; E114-H116 PolarHBondContact O-N 2.95Å; H116-A119 PolarHBondContact O-N 2.98Å; H116-M120 WeakPolarHBondContact O-CB 3.41Å; H116-M120 PolarHBondContact O-N 2.91Å |
| 117 | K | 80.5 | Confident | 73.7 | Confident | 161 Ų | 161 | 110.7 Ų | 110.7 | 70% | 0.7 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.7 | -42.6 | 177.1 | -169.6 | 178.7 | 179.2 | -174.3 | 0 | 111.5 | A113 E114 M120 N121 | A113-K117 WeakPolarHBondContact O-CB 3.5Å; A113-K117 PolarHBondContact O-N 3.41Å; E114-K117 CarbonylContact O-C 3.58Å; E114-K117 WeakPolarHBondContact O-CA 3.41Å; E114-K117 WeakPolarHBondContact O-CB 3.5Å; E114-K117 PolarHBondContact O-N 3.26Å; K117-M120 PolarHBondContact O-N 2.69Å; K117-N121 WeakPolarHBondContact O-CB 3.17Å; K117-N121 PolarHBondContact O-N 3.16Å |
| 118 | E | 79.8 | Confident | 71.8 | Confident | 127 Ų | 127 | 112.4 Ų | 112.4 | 59% | 0.593 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.2 | -44 | 173.9 | -72.3 | -171.5 | 154.8 | 0 | 0 | 112.1 | E114 M120 N121 R122 | E114-E118 WeakPolarHBondContact O-CG 3.35Å; E114-E118 PolarHBondContact O-N 3.48Å; E118-M120 VanDerWaalsContact C-N 3.32Å; E118-M120 PolarHBondContact O-N 3.15Å; E118-N121 PolarHBondContact O-N 3.43Å; E118-R122 WeakPolarHBondContact O-CB 3.41Å; E118-R122 PolarHBondContact O-N 2.78Å |
| 119 | A | 76.1 | Confident | 69.9 | Low | 52 Ų | 52 | 111.1 Ų | 111.1 | 43% | 0.43 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.8 | -38.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A115 H116 K123 | A115-A119 WeakPolarHBondContact O-CB 3.3Å; A115-A119 PolarHBondContact O-N 2.78Å; H116-A119 PolarHBondContact O-N 2.98Å; A119-K123 WeakPolarHBondContact O-CG 3.38Å; A119-K123 PolarHBondContact O-N 2.85Å; A119-K123 VanDerWaalsContact O-N 3.13Å |
| 120 | M | 70.1 | Confident | 68 | Low | 110 Ų | 110 | 114.5 Ų | 114.5 | 54% | 0.542 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70 | -40.4 | 176.2 | -169.8 | 156.7 | 177.4 | 0 | 0 | 111.8 | H116 K117 E118 R122 K123 L124 | H116-M120 WeakPolarHBondContact O-CB 3.41Å; H116-M120 PolarHBondContact O-N 2.91Å; K117-M120 PolarHBondContact O-N 2.69Å; E118-M120 VanDerWaalsContact C-N 3.32Å; E118-M120 PolarHBondContact O-N 3.15Å; M120-R122 VanDerWaalsContact C-N 3.34Å; M120-R122 PolarHBondContact O-N 3.03Å; M120-K123 PolarHBondContact O-N 3.41Å; M120-L124 HydrophobicContact CG-CD1 4.24Å; M120-L124 WeakPolarHBondContact O-CG 3.21Å; M120-L124 PolarHBondContact O-N 3.25Å |
| 121 | N | 69.9 | Low | 66.4 | Low | 113 Ų | 113 | 109.7 Ų | 109.7 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.7 | -40.4 | 175.3 | -160.8 | 41.1 | 0 | 0 | 0 | 111.7 | K117 E118 K123 L124 D125 | K117-N121 WeakPolarHBondContact O-CB 3.17Å; K117-N121 PolarHBondContact O-N 3.16Å; E118-N121 PolarHBondContact O-N 3.43Å; N121-K123 VanDerWaalsContact C-N 3.29Å; N121-K123 PolarHBondContact O-N 2.82Å; N121-L124 PolarHBondContact O-N 3.36Å; N121-D125 WeakPolarHBondContact O-CB 3.35Å; N121-D125 PolarHBondContact O-N 2.78Å |
| 122 | R | 66.1 | Low | 65.1 | Low | 181 Ų | 181 | 111.6 Ų | 111.6 | 68% | 0.683 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.6 | -29.1 | 176 | -159.5 | 175.6 | -177.8 | -166.7 | 0 | 113.1 | E118 M120 Q126 | E118-R122 WeakPolarHBondContact O-CB 3.41Å; E118-R122 PolarHBondContact O-N 2.78Å; M120-R122 VanDerWaalsContact C-N 3.34Å; M120-R122 PolarHBondContact O-N 3.03Å; R122-Q126 WeakPolarHBondContact O-CG 2.95Å; R122-Q126 PolarHBondContact O-N 3.33Å |
| 123 | K | 59.5 | Low | 64.1 | Low | 153 Ų | 153 | 108.3 Ų | 108.3 | 67% | 0.665 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.6 | -37 | 171.3 | -76.2 | -177.4 | -179.3 | -174.1 | 0 | 112.4 | A119 M120 N121 Q126 S127 | A119-K123 WeakPolarHBondContact O-CG 3.38Å; A119-K123 PolarHBondContact O-N 2.85Å; A119-K123 VanDerWaalsContact O-N 3.13Å; M120-K123 PolarHBondContact O-N 3.41Å; N121-K123 VanDerWaalsContact C-N 3.29Å; N121-K123 PolarHBondContact O-N 2.82Å; K123-Q126 PolarHBondContact O-N 3.01Å; K123-S127 PolarHBondContact O-N 3.13Å; K123-S127 VanDerWaalsContact O-N 3.14Å; K123-S127 PolarHBondContact O-OG 3.47Å |
| 124 | L | 55.9 | Low | 63.6 | Low | 89 Ų | 89 | 111.9 Ų | 111.9 | 47% | 0.466 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.7 | -43 | 175.9 | -75.4 | 156.3 | 0 | 0 | 0 | 111.3 | M120 N121 Q126 S127 E128 | M120-L124 HydrophobicContact CG-CD1 4.24Å; M120-L124 WeakPolarHBondContact O-CG 3.21Å; M120-L124 PolarHBondContact O-N 3.25Å; N121-L124 PolarHBondContact O-N 3.36Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 2.73Å; L124-S127 WeakPolarHBondContact CA-OG 3.48Å; L124-S127 PolarHBondContact O-N 3.26Å; L124-S127 PolarHBondContact O-OG 3.19Å; L124-E128 PolarHBondContact O-N 3.44Å; L124-E128 VanDerWaalsContact O-N 3.11Å |
| 125 | D | 49.8 | Very low | 63.4 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.8 | -35.6 | 175.7 | -166.7 | 28.1 | 0 | 0 | 0 | 112.4 | N121 S127 E128 | N121-D125 WeakPolarHBondContact O-CB 3.35Å; N121-D125 PolarHBondContact O-N 2.78Å; D125-S127 VanDerWaalsContact C-N 3.32Å; D125-S127 PolarHBondContact O-N 3.37Å; D125-E128 PolarHBondContact O-N 2.96Å |
| 126 | Q | 49.3 | Very low | 63.7 | Low | 129 Ų | 129 | 105.3 Ų | 105.3 | 60% | 0.603 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.5 | -26.6 | 171.4 | -76.9 | 175.6 | 23.5 | 0 | 0 | 113.6 | R122 K123 L124 | R122-Q126 WeakPolarHBondContact O-CG 2.95Å; R122-Q126 PolarHBondContact O-N 3.33Å; K123-Q126 PolarHBondContact O-N 3.01Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 2.73Å |
| 127 | S | 47.9 | Very low | 64.2 | Low | 72 Ų | 72 | 99 Ų | 99 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -81.4 | -22.2 | 176.1 | 57.8 | 0 | 0 | 0 | 0 | 114 | K123 L124 D125 | K123-S127 PolarHBondContact O-N 3.13Å; K123-S127 VanDerWaalsContact O-N 3.14Å; K123-S127 PolarHBondContact O-OG 3.47Å; L124-S127 WeakPolarHBondContact CA-OG 3.48Å; L124-S127 PolarHBondContact O-N 3.26Å; L124-S127 PolarHBondContact O-OG 3.19Å; D125-S127 VanDerWaalsContact C-N 3.32Å; D125-S127 PolarHBondContact O-N 3.37Å |
| 128 | E | 46.1 | Very low | 64.7 | Low | 167 Ų | 167 | 94.1 Ų | 94.1 | 78% | 0.78 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -84.1 | -12.4 | 175.2 | -71 | -159.8 | 101.1 | 0 | 0 | 113.8 | L124 D125 | L124-E128 PolarHBondContact O-N 3.44Å; L124-E128 VanDerWaalsContact O-N 3.11Å; D125-E128 PolarHBondContact O-N 2.96Å |
| 129 | S | 43.7 | Very low | 65.3 | Low | 98 Ų | 98 | 88.1 Ų | 88.1 | 69% | 0.685 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -84 | -10.1 | 171.9 | -170.8 | 0 | 0 | 0 | 0 | 113.8 | G131 | S129-G131 PolarHBondContact O-N 2.85Š|
| 130 | Q | 46.3 | Very low | 66 | Low | 121 Ų | 121 | 89.5 Ų | 89.5 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -86.5 | 96.4 | 166.9 | -63 | -70.7 | -81.7 | 0 | 0 | 107.5 | ||
| 131 | G | 51.8 | Low | 66.9 | Low | 53 Ų | 53 | 86.9 Ų | 86.9 | 55% | 0.546 | 46% | 0.464 | S | S | . | . | trans | -50.9 | 174.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S129 | S129-G131 PolarHBondContact O-N 2.85Š| ||
| 132 | P | 58.5 | Low | 68 | Low | 120 Ų | 120 | 83.1 Ų | 83.1 | 78% | 0.779 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -47.9 | 138.9 | -179.1 | 21.4 | -32.9 | 0 | 0 | 0 | 110.5 | Q134 | P132-Q134 PolarHBondContact O-N 3.49Š|
| 133 | P | 62.9 | Low | 69.2 | Low | 50 Ų | 50 | 76.8 Ų | 76.8 | 33% | 0.325 | 43% | 0.426 | S | S | . | . | trans | -48.3 | 102.4 | -176 | 27.1 | -41.8 | 0 | 0 | 0 | 110.1 | A135 V160 I193 | P133-A135 PolarHBondContact O-N 3.41Å; P133-V160 HydrophobicContact CB-CG1 3.87Å; P133-V160 HydrophobicContact CB-CG2 4.22Å; P133-I193 HydrophobicContact CB-CD1 4.19Å; P133-I193 HydrophobicContact CG-CD1 3.86Å | ||
| 134 | Q | 74.9 | Confident | 70.5 | Confident | 137 Ų | 137 | 75.3 Ų | 75.3 | 64% | 0.64 | 43% | 0.433 | S | S | * | . | trans | -76 | 128.4 | -177.9 | -168.8 | 171.3 | 7 | 0 | 0 | 107.8 | P132 T167 | P132-Q134 PolarHBondContact O-N 3.49Å; Q134-T167 HydrophobicContact CB-CG2 4.13Å; Q134-T167 WeakPolarHBondContact O-CG2 3.35Å | ||
| 135 | A | 82.8 | Confident | 71.9 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 13% | 0.132 | 44% | 0.437 | C | S | . | . | trans | -82.6 | 137.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P133 E158 I159 V160 L221 | P133-A135 PolarHBondContact O-N 3.41Å; A135-E158 HydrophobicContact CB-CB 3.59Å; A135-E158 HydrophobicContact CB-CG 4.35Å; A135-I159 CarbonylContact C-O 3.54Å; A135-I159 VanDerWaalsContact CA-O 3.28Å; A135-I159 WeakPolarHBondContact CA-O 3.37Å; A135-V160 HydrophobicContact CB-CG2 4.47Å; A135-L221 HydrophobicContact CB-CD1 3.69Å | ||
| 136 | F | 87.7 | Confident | 73.8 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | trans | -102.8 | -17.5 | 179.6 | 65 | -97.8 | 0 | 0 | 0 | 112.8 | I159 V160 F162 V165 T167 F170 I176 L221 | F136-I159 HydrophobicContact CE1-CG2 4.14Å; F136-I159 HydrophobicContact CZ-CG2 3.86Å; F136-I159 PolarHBondContact N-O 3.09Å; F136-V160 VanDerWaalsContact CE1-O 3.29Å; F136-V160 WeakPolarHBondContact CE1-O 3.44Å; F136-F162 HydrophobicContact CZ-CB 4.21Å; F136-V165 HydrophobicContact CE2-CG1 4.29Å; F136-V165 HydrophobicContact CZ-CG1 3.95Å; F136-T167 HydrophobicContact CB-CG2 4.26Å; F136-T167 HydrophobicContact CD1-CG2 4.06Å; F136-F170 HydrophobicContact CB-CB 4.34Å; F136-F170 HydrophobicContact CB-CD1 3.83Å; F136-F170 HydrophobicContact CB-CE1 4.36Å; F136-F170 HydrophobicContact CB-CG 4.13Å; F136-F170 HydrophobicContact CD2-CB 3.9Å; F136-F170 AromaticContact CD2-CD1 3.56Å; F136-F170 HydrophobicContact CD2-CD1 3.56Å; F136-F170 AromaticContact CD2-CD2 3.27Å; F136-F170 HydrophobicContact CD2-CD2 3.27Å; F136-F170 AromaticContact CD2-CE1 3.8Å; F136-F170 HydrophobicContact CD2-CE1 3.8Å; F136-F170 AromaticContact CD2-CE2 3.54Å; F136-F170 HydrophobicContact CD2-CE2 3.54Å; F136-F170 AromaticContact CD2-CG 3.27Å; F136-F170 HydrophobicContact CD2-CG 3.27Å; F136-F170 AromaticContact CD2-CZ 3.79Å; F136-F170 HydrophobicContact CD2-CZ 3.79Å; F136-F170 HydrophobicContact CE2-CB 4.31Å; F136-F170 HydrophobicContact CE2-CD1 4.44Å; F136-F170 AromaticContact CE2-CD2 3.31Å; F136-F170 HydrophobicContact CE2-CD2 3.31Å; F136-F170 AromaticContact CE2-CE2 3.6Å; F136-F170 HydrophobicContact CE2-CE2 3.6Å; F136-F170 AromaticContact CE2-CG 3.78Å; F136-F170 HydrophobicContact CE2-CG 3.78Å; F136-F170 HydrophobicContact CE2-CZ 4.28Å; F136-F170 HydrophobicContact CG-CB 4.02Å; F136-F170 AromaticContact CG-CD1 3.99Å; F136-F170 HydrophobicContact CG-CD1 3.99Å; F136-F170 HydrophobicContact CG-CD2 4.22Å; F136-F170 AromaticContact CG-CG 3.81Å; F136-F170 HydrophobicContact CG-CG 3.81Å; F136-F170 HydrophobicContact CZ-CD2 4.28Å; F136-I176 HydrophobicContact CE2-CD1 3.98Å; F136-I176 HydrophobicContact CE2-CG1 4.42Å; F136-L221 PolarHBondContact O-N 3.33Å | ||
| 137 | A | 88.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 158.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E158 I159 I218 I219 L221 | A137-E158 CarbonylContact O-C 3.59Å; A137-I159 HydrophobicContact CB-CB 4.39Å; A137-I159 HydrophobicContact CB-CD1 4.41Å; A137-I159 PolarHBondContact O-N 3.21Å; A137-I218 HydrophobicContact CB-CG2 3.58Å; A137-I219 CarbonylContact C-O 3.59Å; A137-I219 VanDerWaalsContact CA-O 3.31Å; A137-I219 WeakPolarHBondContact CA-O 3.17Å; A137-L221 WeakPolarHBondContact O-CD1 3.38Å |
| 138 | K | 91.3 | Very high | 77.9 | Confident | 58 Ų | 58 | 59 Ų | 59 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.4 | 178.9 | 170.7 | 173.3 | 156.6 | 160.9 | 0 | 110.4 | D156 D157 I218 I219 L221 | K138-D156 WeakPolarHBondContact CE-OD1 3.42Å; K138-D156 IonicContact NZ-OD1 3.55Å; K138-D156 PolarHBondContact NZ-OD1 2.95Å; K138-D157 WeakPolarHBondContact CA-O 3.46Å; K138-I218 WeakPolarHBondContact O-CA 3.34Å; K138-I219 HydrophobicContact CB-CG1 4.27Å; K138-I219 PolarHBondContact N-O 3.35Å; K138-I219 WeakPolarHBondContact O-CG1 3.41Å; K138-I219 PolarHBondContact O-N 3.03Å; K138-L221 HydrophobicContact CB-CD1 4.11Å; K138-L221 HydrophobicContact CB-CD2 3.98Å; K138-L221 HydrophobicContact CB-CG 3.89Å; K138-L221 HydrophobicContact CD-CD2 4.39Å |
| 139 | V | 91.8 | Very high | 80 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 118.9 | 176 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | I142 L153 Q154 D156 D157 I159 C216 | V139-I142 HydrophobicContact CG1-CD1 3.87Å; V139-I142 HydrophobicContact CG1-CG1 3.58Å; V139-L153 HydrophobicContact CG1-CD2 4.22Å; V139-L153 HydrophobicContact CG2-CD1 4.4Å; V139-L153 HydrophobicContact CG2-CD2 3.7Å; V139-L153 HydrophobicContact CG2-CG 4.02Å; V139-Q154 WeakPolarHBondContact CB-O 3.28Å; V139-D156 PolarHBondContact O-N 3.38Å; V139-D157 HydrophobicContact CG2-CB 4.13Å; V139-D157 PolarHBondContact N-O 3.31Å; V139-I159 HydrophobicContact CG2-CD1 4.05Å; V139-I159 HydrophobicContact CG2-CG1 4.29Å; V139-C216 HydrophobicContact CG1-CB 4.47Å |
| 140 | N | 90.8 | Very high | 82.2 | Confident | 81 Ų | 81 | 55.1 Ų | 55.1 | 43% | 0.433 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -37.8 | -178.5 | -175.6 | 46.4 | 0 | 0 | 0 | 112.6 | V155 N217 I219 | N140-V155 WeakPolarHBondContact O-CG1 3.5Å; N140-N217 HydrophobicContact CB-CB 4.47Å; N140-N217 PolarHBondContact N-O 3.04Å; N140-N217 PolarHBondContact ND2-ND2 3.04Å; N140-I219 HydrophobicContact CB-CD1 4.22Å; N140-I219 HydrophobicContact CB-CG1 4.26Å; N140-I219 HydrophobicContact CB-CG2 4.13Å |
| 141 | S | 90.5 | Very high | 84.3 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 151.9 | 177.3 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | C216 N217 | S141-C216 CarbonylContact O-C 3.6Å; S141-C216 VanDerWaalsContact O-CA 3.3Å; S141-C216 WeakPolarHBondContact O-CA 3.2Å; S141-N217 PolarHBondContact O-N 3.27Å; S141-N217 VanDerWaalsContact OG-CB 3.28Å; S141-N217 WeakPolarHBondContact OG-CB 3.4Å |
| 142 | I | 91.8 | Very high | 86.1 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.7 | 178.3 | -57.2 | 178.2 | 0 | 0 | 0 | 108.3 | V139 A148 L153 Q154 V155 C216 | V139-I142 HydrophobicContact CG1-CD1 3.87Å; V139-I142 HydrophobicContact CG1-CG1 3.58Å; I142-A148 HydrophobicContact CG2-CB 4.37Å; I142-L153 HydrophobicContact CD1-CB 3.88Å; I142-L153 HydrophobicContact CD1-CD2 4.21Å; I142-L153 HydrophobicContact CD1-CG 4.08Å; I142-L153 WeakPolarHBondContact CD1-O 3.48Å; I142-Q154 VanDerWaalsContact CD1-CA 3.49Å; I142-V155 HydrophobicContact CG1-CG2 4.39Å; I142-C216 HydrophobicContact CG1-CB 4.12Å |
| 143 | S | 90.8 | Very high | 87.7 | Confident | 47 Ų | 47 | 43.8 Ų | 43.8 | 33% | 0.329 | 27% | 0.271 | S | S | . | . | trans | -83.4 | 135.8 | 174.9 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | S146 G215 | S143-S146 WeakPolarHBondContact O-CB 3.47Å; S143-S146 PolarHBondContact O-N 3.23Å; S143-S146 PolarHBondContact O-OG 3.44Å; S143-G215 WeakPolarHBondContact CB-O 3.35Å; S143-G215 PolarHBondContact N-O 2.91Å | ||
| 144 | P | 88.1 | Confident | 89 | Confident | 122 Ų | 122 | 46.1 Ų | 46.1 | 79% | 0.792 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 139.6 | 179 | 26.6 | -33.9 | 0 | 0 | 0 | 110.9 | S146 | P144-S146 PolarHBondContact O-N 3.26Š|
| 145 | G | 85.5 | Confident | 89.9 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 56% | 0.557 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 9.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 146 | S | 90.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -78.5 | 159.3 | 172.1 | 68 | 0 | 0 | 0 | 0 | 112.3 | S143 P144 A148 S149 I150 L214 | S143-S146 WeakPolarHBondContact O-CB 3.47Å; S143-S146 PolarHBondContact O-N 3.23Å; S143-S146 PolarHBondContact O-OG 3.44Å; P144-S146 PolarHBondContact O-N 3.26Å; S146-A148 PolarHBondContact O-N 3.04Å; S146-S149 WeakPolarHBondContact O-CB 3.27Å; S146-S149 PolarHBondContact O-N 3.26Å; S146-S149 PolarHBondContact OG-N 3.44Å; S146-I150 WeakPolarHBondContact O-CG1 3.05Å; S146-I150 PolarHBondContact O-N 3.41Å; S146-L214 WeakPolarHBondContact CB-O 3.42Å; S146-L214 PolarHBondContact OG-O 3.04Å |
| 147 | P | 90.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.8 | -35.1 | 175.3 | -27.9 | 36.5 | 0 | 0 | 0 | 113.9 | A151 V204 T206 W208 L214 | P147-A151 VanDerWaalsContact O-CB 3.25Å; P147-A151 WeakPolarHBondContact O-CB 3.19Å; P147-A151 PolarHBondContact O-N 3.24Å; P147-V204 WeakPolarHBondContact CB-O 3.44Å; P147-T206 VanDerWaalsContact CG-OG1 3.27Å; P147-T206 WeakPolarHBondContact CG-OG1 3.45Å; P147-W208 HydrophobicContact CG-CB 4.34Å; P147-W208 HydrophobicContact CG-CG 4.3Å; P147-L214 WeakPolarHBondContact CD-O 3.42Å |
| 148 | A | 90.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I142 S146 A151 G152 L153 L203 L214 C216 | I142-A148 HydrophobicContact CG2-CB 4.37Å; S146-A148 PolarHBondContact O-N 3.04Å; A148-A151 PolarHBondContact O-N 2.94Å; A148-G152 PolarHBondContact O-N 3.45Å; A148-L153 HydrophobicContact CB-CB 4.35Å; A148-L153 HydrophobicContact CB-CD2 4.01Å; A148-L153 WeakPolarHBondContact O-CB 3.42Å; A148-L153 PolarHBondContact O-N 3.25Å; A148-L153 VanDerWaalsContact O-N 3.09Å; A148-L203 HydrophobicContact CB-CD1 4.24Å; A148-L214 VanDerWaalsContact CB-O 3.29Å; A148-L214 WeakPolarHBondContact CB-O 3.5Å; A148-L214 PolarHBondContact N-O 2.98Å; A148-C216 HydrophobicContact CB-CB 3.76Å |
| 149 | S | 90.9 | Very high | 90.4 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 175.8 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | S146 A151 G152 | S146-S149 WeakPolarHBondContact O-CB 3.27Å; S146-S149 PolarHBondContact O-N 3.26Å; S146-S149 PolarHBondContact OG-N 3.44Å; S149-A151 VanDerWaalsContact C-N 3.29Å; S149-A151 PolarHBondContact O-N 3.48Å; S149-G152 PolarHBondContact O-N 3.39Å; S149-G152 VanDerWaalsContact O-N 3.1Å |
| 150 | I | 90.5 | Very high | 90.3 | Very high | 135 Ų | 135 | 47.6 Ų | 47.6 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.7 | -35.4 | 178.1 | -63.5 | 163.7 | 0 | 0 | 0 | 110.8 | S146 G152 | S146-I150 WeakPolarHBondContact O-CG1 3.05Å; S146-I150 PolarHBondContact O-N 3.41Å; I150-G152 PolarHBondContact O-N 2.91Å |
| 151 | A | 89.3 | Confident | 90.2 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -6.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | P147 A148 S149 R202 L203 | P147-A151 VanDerWaalsContact O-CB 3.25Å; P147-A151 WeakPolarHBondContact O-CB 3.19Å; P147-A151 PolarHBondContact O-N 3.24Å; A148-A151 PolarHBondContact O-N 2.94Å; S149-A151 VanDerWaalsContact C-N 3.29Å; S149-A151 PolarHBondContact O-N 3.48Å; A151-R202 WeakPolarHBondContact CB-O 3.26Å; A151-L203 HydrophobicContact CB-CB 3.89Å; A151-L203 HydrophobicContact CB-CD1 4.36Å; A151-L203 HydrophobicContact CB-CG 4.11Å |
| 152 | G | 90.3 | Very high | 90.1 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 15.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A148 S149 I150 R194 | A148-G152 PolarHBondContact O-N 3.45Å; S149-G152 PolarHBondContact O-N 3.39Å; S149-G152 VanDerWaalsContact O-N 3.1Å; I150-G152 PolarHBondContact O-N 2.91Å; G152-R194 PolarHBondContact O-NH2 3.05Å |
| 153 | L | 91.3 | Very high | 89.8 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | trans | -67.7 | 141.5 | 172.3 | -155.6 | 76.3 | 0 | 0 | 0 | 109.2 | V139 I142 A148 V192 L201 C216 | V139-L153 HydrophobicContact CG1-CD2 4.22Å; V139-L153 HydrophobicContact CG2-CD1 4.4Å; V139-L153 HydrophobicContact CG2-CD2 3.7Å; V139-L153 HydrophobicContact CG2-CG 4.02Å; I142-L153 HydrophobicContact CD1-CB 3.88Å; I142-L153 HydrophobicContact CD1-CD2 4.21Å; I142-L153 HydrophobicContact CD1-CG 4.08Å; I142-L153 WeakPolarHBondContact CD1-O 3.48Å; A148-L153 HydrophobicContact CB-CB 4.35Å; A148-L153 HydrophobicContact CB-CD2 4.01Å; A148-L153 WeakPolarHBondContact O-CB 3.42Å; A148-L153 PolarHBondContact O-N 3.25Å; A148-L153 VanDerWaalsContact O-N 3.09Å; L153-V192 HydrophobicContact CD1-CG1 3.89Å; L153-L201 HydrophobicContact CB-CD1 4.45Å; L153-L201 HydrophobicContact CD1-CD1 3.76Å; L153-C216 HydrophobicContact CD2-CB 4.25Å | ||
| 154 | Q | 91.6 | Very high | 89.5 | Confident | 98 Ų | 98 | 46.8 Ų | 46.8 | 46% | 0.458 | 29% | 0.289 | S | S | . | . | trans | -122.7 | 160 | 179 | -69.9 | -178.5 | -2.7 | 0 | 0 | 111.7 | V139 I142 D157 R194 | V139-Q154 WeakPolarHBondContact CB-O 3.28Å; I142-Q154 VanDerWaalsContact CD1-CA 3.49Å; Q154-D157 PolarHBondContact N-OD2 3.46Å; Q154-D157 WeakPolarHBondContact O-CB 3.36Å; Q154-D157 PolarHBondContact O-N 2.94Å; Q154-R194 VanDerWaalsContact CG-NH2 3.32Å; Q154-R194 VanDerWaalsContact OE1-NE 3.13Å | ||
| 155 | V | 92.1 | Very high | 89.3 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 143.3 | 171.3 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | N140 I142 D157 | N140-V155 WeakPolarHBondContact O-CG1 3.5Å; I142-V155 HydrophobicContact CG1-CG2 4.39Å; V155-D157 PolarHBondContact O-N 3.44Å |
| 156 | D | 90.2 | Very high | 89.1 | Confident | 98 Ų | 98 | 41 Ų | 41 | 52% | 0.524 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 4.3 | -174.3 | -59.2 | -61 | 0 | 0 | 0 | 116.3 | K138 V139 E158 | K138-D156 WeakPolarHBondContact CE-OD1 3.42Å; K138-D156 IonicContact NZ-OD1 3.55Å; K138-D156 PolarHBondContact NZ-OD1 2.95Å; V139-D156 PolarHBondContact O-N 3.38Å; D156-E158 PolarHBondContact O-N 2.96Å |
| 157 | D | 91.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 129.9 | 170.7 | -79.6 | -11.2 | 0 | 0 | 0 | 110.7 | K138 V139 Q154 V155 V192 R194 | K138-D157 WeakPolarHBondContact CA-O 3.46Å; V139-D157 HydrophobicContact CG2-CB 4.13Å; V139-D157 PolarHBondContact N-O 3.31Å; Q154-D157 PolarHBondContact N-OD2 3.46Å; Q154-D157 WeakPolarHBondContact O-CB 3.36Å; Q154-D157 PolarHBondContact O-N 2.94Å; V155-D157 PolarHBondContact O-N 3.44Å; D157-V192 HydrophobicContact CB-CB 4.13Å; D157-V192 HydrophobicContact CB-CG1 4.32Å; D157-V192 HydrophobicContact CB-CG2 4.34Å; D157-R194 IonicContact OD1-CZ 3.55Å; D157-R194 IonicContact OD1-NE 2.81Å; D157-R194 PolarHBondContact OD1-NE 2.78Å; D157-R194 IonicContact OD1-NH2 3.41Å; D157-R194 PolarHBondContact OD1-NH2 3.35Å; D157-R194 IonicContact OD2-CZ 3.7Å; D157-R194 IonicContact OD2-NE 3.73Å; D157-R194 IonicContact OD2-NH2 2.81Å; D157-R194 PolarHBondContact OD2-NH2 3.48Å |
| 158 | E | 90.8 | Very high | 87.7 | Confident | 66 Ų | 66 | 49.8 Ų | 49.8 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 116.3 | 177.8 | -72.4 | -169.2 | 157.6 | 0 | 0 | 110.1 | A135 A137 D156 V192 I193 L221 | A135-E158 HydrophobicContact CB-CB 3.59Å; A135-E158 HydrophobicContact CB-CG 4.35Å; A137-E158 CarbonylContact O-C 3.59Å; D156-E158 PolarHBondContact O-N 2.96Å; E158-V192 CarbonylContact O-C 3.54Å; E158-V192 WeakPolarHBondContact O-CA 3.4Å; E158-I193 HydrophobicContact CB-CB 4.2Å; E158-I193 PolarHBondContact N-O 3.34Å; E158-I193 VanDerWaalsContact N-O 3.08Å; E158-I193 PolarHBondContact O-N 2.84Å; E158-L221 HydrophobicContact CG-CD1 4.35Å |
| 159 | I | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 121.2 | -174.3 | -55.3 | 171.6 | 0 | 0 | 0 | 110 | A135 F136 A137 V139 F162 V190 V192 I218 | A135-I159 CarbonylContact C-O 3.54Å; A135-I159 VanDerWaalsContact CA-O 3.28Å; A135-I159 WeakPolarHBondContact CA-O 3.37Å; F136-I159 HydrophobicContact CE1-CG2 4.14Å; F136-I159 HydrophobicContact CZ-CG2 3.86Å; F136-I159 PolarHBondContact N-O 3.09Å; A137-I159 HydrophobicContact CB-CB 4.39Å; A137-I159 HydrophobicContact CB-CD1 4.41Å; A137-I159 PolarHBondContact O-N 3.21Å; V139-I159 HydrophobicContact CG2-CD1 4.05Å; V139-I159 HydrophobicContact CG2-CG1 4.29Å; I159-F162 HydrophobicContact CD1-CD2 4.46Å; I159-F162 HydrophobicContact CG2-CB 4.07Å; I159-F162 HydrophobicContact CG2-CD2 4.34Å; I159-V190 HydrophobicContact CG2-CG1 4.29Å; I159-V192 HydrophobicContact CG1-CG1 4.1Å; I159-I218 HydrophobicContact CD1-CD1 3.97Å; I159-I218 HydrophobicContact CD1-CG1 4.24Å; I159-I218 HydrophobicContact CD1-CG2 3.95Å |
| 160 | V | 89 | Confident | 86.6 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 11% | 0.109 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -38.7 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | P133 A135 F136 T191 I193 | P133-V160 HydrophobicContact CB-CG1 3.87Å; P133-V160 HydrophobicContact CB-CG2 4.22Å; A135-V160 HydrophobicContact CB-CG2 4.47Å; F136-V160 VanDerWaalsContact CE1-O 3.29Å; F136-V160 WeakPolarHBondContact CE1-O 3.44Å; V160-T191 HydrophobicContact CB-CG2 4.49Å; V160-T191 PolarHBondContact N-O 3.46Å; V160-I193 HydrophobicContact CG2-CD1 3.39Å; V160-I193 HydrophobicContact CG2-CG1 3.58Å |
| 161 | E | 88.7 | Confident | 86 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 135.8 | -178.5 | -168.7 | -177 | 128.2 | 0 | 0 | 109.7 | V165 V190 T191 | E161-V165 WeakPolarHBondContact CA-O 3.42Å; E161-V190 CarbonylContact O-C 3.59Å; E161-V190 WeakPolarHBondContact O-CA 3.22Å; E161-V190 WeakPolarHBondContact O-CG1 3.35Å; E161-T191 PolarHBondContact N-O 2.91Å; E161-T191 PolarHBondContact O-N 3.05Å |
| 162 | F | 87.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 93.8 | 178.8 | -164.2 | -75.6 | 0 | 0 | 0 | 109.8 | F136 I159 S164 V165 I176 V180 L188 V190 L203 L214 | F136-F162 HydrophobicContact CZ-CB 4.21Å; I159-F162 HydrophobicContact CD1-CD2 4.46Å; I159-F162 HydrophobicContact CG2-CB 4.07Å; I159-F162 HydrophobicContact CG2-CD2 4.34Å; F162-S164 PolarHBondContact O-N 3.16Å; F162-S164 VanDerWaalsContact O-N 3.13Å; F162-V165 HydrophobicContact CB-CB 4.49Å; F162-V165 PolarHBondContact N-O 3.43Å; F162-V165 WeakPolarHBondContact O-CB 3.47Å; F162-V165 PolarHBondContact O-N 3.41Å; F162-I176 HydrophobicContact CD1-CG2 3.79Å; F162-I176 HydrophobicContact CD2-CG2 4.28Å; F162-I176 HydrophobicContact CE1-CG2 3.75Å; F162-I176 HydrophobicContact CE2-CG2 4.22Å; F162-I176 HydrophobicContact CG-CG2 4.08Å; F162-I176 HydrophobicContact CZ-CG2 3.97Å; F162-V180 HydrophobicContact CE1-CG2 3.49Å; F162-V180 VanDerWaalsContact CE1-CG2 3.49Å; F162-V180 HydrophobicContact CZ-CG2 3.77Å; F162-L188 HydrophobicContact CE1-CD1 4.04Å; F162-V190 HydrophobicContact CD2-CB 4.38Å; F162-V190 HydrophobicContact CD2-CG1 3.68Å; F162-V190 HydrophobicContact CD2-CG2 3.72Å; F162-V190 HydrophobicContact CE2-CG1 4.19Å; F162-V190 HydrophobicContact CE2-CG2 3.73Å; F162-V190 HydrophobicContact CG-CG1 4.46Å; F162-V190 HydrophobicContact CG-CG2 4.2Å; F162-V190 HydrophobicContact CZ-CG2 4.2Å; F162-L203 HydrophobicContact CZ-CD2 4.4Å; F162-L214 HydrophobicContact CZ-CD1 3.98Å |
| 163 | G | 86.6 | Confident | 85.3 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -114.4 | -176 | 0 | 0 | 0 | 0 | 0 | 111.3 | V165 N189 | G163-V165 VanDerWaalsContact C-N 3.34Å; G163-N189 WeakPolarHBondContact CA-O 3.47Å; G163-N189 PolarHBondContact N-O 3.3Å |
| 164 | S | 83 | Confident | 84.9 | Confident | 97 Ų | 97 | 64 Ų | 64 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -3.4 | 176.1 | -52 | 0 | 0 | 0 | 0 | 113.6 | F162 N169 | F162-S164 PolarHBondContact O-N 3.16Å; F162-S164 VanDerWaalsContact O-N 3.13Å; S164-N169 PolarHBondContact O-ND2 3.42Å |
| 165 | V | 84 | Confident | 84.5 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 126.8 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | F136 E161 F162 G163 N169 F170 N175 V179 | F136-V165 HydrophobicContact CE2-CG1 4.29Å; F136-V165 HydrophobicContact CZ-CG1 3.95Å; E161-V165 WeakPolarHBondContact CA-O 3.42Å; F162-V165 HydrophobicContact CB-CB 4.49Å; F162-V165 PolarHBondContact N-O 3.43Å; F162-V165 WeakPolarHBondContact O-CB 3.47Å; F162-V165 PolarHBondContact O-N 3.41Å; G163-V165 VanDerWaalsContact C-N 3.34Å; V165-N169 WeakPolarHBondContact CA-OD1 3.25Å; V165-N169 WeakPolarHBondContact CG1-OD1 3.32Å; V165-F170 HydrophobicContact CG1-CB 4.09Å; V165-F170 HydrophobicContact CG1-CD2 3.96Å; V165-N175 HydrophobicContact CG2-CB 4.25Å; V165-V179 HydrophobicContact CG2-CG2 3.81Å |
| 166 | N | 82.7 | Confident | 84.2 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 176.4 | 175.8 | 66.1 | 12.8 | 0 | 0 | 0 | 110 | Q168 N169 F170 | N166-Q168 PolarHBondContact O-N 3.41Å; N166-Q168 VanDerWaalsContact O-N 3.14Å; N166-Q168 WeakPolarHBondContact OD1-CA 3.28Å; N166-Q168 WeakPolarHBondContact OD1-CB 3.31Å; N166-Q168 PolarHBondContact OD1-N 3.42Å; N166-N169 PolarHBondContact N-OD1 2.79Å; N166-N169 PolarHBondContact O-N 2.85Å; N166-N169 PolarHBondContact O-OD1 3.02Å; N166-N169 PolarHBondContact OD1-N 2.87Å; N166-N169 PolarHBondContact OD1-ND2 2.98Å; N166-N169 PolarHBondContact OD1-OD1 3.33Å; N166-F170 WeakPolarHBondContact O-CB 3.49Å; N166-F170 PolarHBondContact O-N 3.35Å |
| 167 | T | 77.1 | Confident | 84 | Confident | 51 Ų | 51 | 55 Ų | 55 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -29.6 | 175.1 | 40.4 | 0 | 0 | 0 | 0 | 114.5 | Q134 F136 | Q134-T167 HydrophobicContact CB-CG2 4.13Å; Q134-T167 WeakPolarHBondContact O-CG2 3.35Å; F136-T167 HydrophobicContact CB-CG2 4.26Å; F136-T167 HydrophobicContact CD1-CG2 4.06Å |
| 168 | Q | 74.6 | Confident | 83.7 | Confident | 141 Ų | 141 | 56.6 Ų | 56.6 | 66% | 0.659 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -26.8 | -176.3 | -56.2 | -179.4 | 16 | 0 | 0 | 112.6 | N166 | N166-Q168 PolarHBondContact O-N 3.41Å; N166-Q168 VanDerWaalsContact O-N 3.14Å; N166-Q168 WeakPolarHBondContact OD1-CA 3.28Å; N166-Q168 WeakPolarHBondContact OD1-CB 3.31Å; N166-Q168 PolarHBondContact OD1-N 3.42Å |
| 169 | N | 78.4 | Confident | 83.6 | Confident | 66 Ų | 66 | 54.6 Ų | 54.6 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 0 | -176.3 | 73.1 | 17.8 | 0 | 0 | 0 | 114.2 | S164 V165 N166 Q171 N175 | S164-N169 PolarHBondContact O-ND2 3.42Å; V165-N169 WeakPolarHBondContact CA-OD1 3.25Å; V165-N169 WeakPolarHBondContact CG1-OD1 3.32Å; N166-N169 PolarHBondContact N-OD1 2.79Å; N166-N169 PolarHBondContact O-N 2.85Å; N166-N169 PolarHBondContact O-OD1 3.02Å; N166-N169 PolarHBondContact OD1-N 2.87Å; N166-N169 PolarHBondContact OD1-ND2 2.98Å; N166-N169 PolarHBondContact OD1-OD1 3.33Å; N169-Q171 PolarHBondContact O-N 3.05Å; N169-N175 PolarHBondContact O-ND2 3.02Å |
| 170 | F | 79.4 | Confident | 83.5 | Confident | 40 Ų | 40 | 55 Ų | 55 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | trans | -74.8 | 108 | 177.2 | -179.3 | -103 | 0 | 0 | 0 | 110.9 | F136 V165 N166 S172 L173 I176 P220 | F136-F170 HydrophobicContact CB-CB 4.34Å; F136-F170 HydrophobicContact CB-CD1 3.83Å; F136-F170 HydrophobicContact CB-CE1 4.36Å; F136-F170 HydrophobicContact CB-CG 4.13Å; F136-F170 HydrophobicContact CD2-CB 3.9Å; F136-F170 AromaticContact CD2-CD1 3.56Å; F136-F170 HydrophobicContact CD2-CD1 3.56Å; F136-F170 AromaticContact CD2-CD2 3.27Å; F136-F170 HydrophobicContact CD2-CD2 3.27Å; F136-F170 AromaticContact CD2-CE1 3.8Å; F136-F170 HydrophobicContact CD2-CE1 3.8Å; F136-F170 AromaticContact CD2-CE2 3.54Å; F136-F170 HydrophobicContact CD2-CE2 3.54Å; F136-F170 AromaticContact CD2-CG 3.27Å; F136-F170 HydrophobicContact CD2-CG 3.27Å; F136-F170 AromaticContact CD2-CZ 3.79Å; F136-F170 HydrophobicContact CD2-CZ 3.79Å; F136-F170 HydrophobicContact CE2-CB 4.31Å; F136-F170 HydrophobicContact CE2-CD1 4.44Å; F136-F170 AromaticContact CE2-CD2 3.31Å; F136-F170 HydrophobicContact CE2-CD2 3.31Å; F136-F170 AromaticContact CE2-CE2 3.6Å; F136-F170 HydrophobicContact CE2-CE2 3.6Å; F136-F170 AromaticContact CE2-CG 3.78Å; F136-F170 HydrophobicContact CE2-CG 3.78Å; F136-F170 HydrophobicContact CE2-CZ 4.28Å; F136-F170 HydrophobicContact CG-CB 4.02Å; F136-F170 AromaticContact CG-CD1 3.99Å; F136-F170 HydrophobicContact CG-CD1 3.99Å; F136-F170 HydrophobicContact CG-CD2 4.22Å; F136-F170 AromaticContact CG-CG 3.81Å; F136-F170 HydrophobicContact CG-CG 3.81Å; F136-F170 HydrophobicContact CZ-CD2 4.28Å; V165-F170 HydrophobicContact CG1-CB 4.09Å; V165-F170 HydrophobicContact CG1-CD2 3.96Å; N166-F170 WeakPolarHBondContact O-CB 3.49Å; N166-F170 PolarHBondContact O-N 3.35Å; F170-S172 WeakPolarHBondContact CE2-O 3.49Å; F170-L173 HydrophobicContact CE2-CD2 4.36Å; F170-L173 HydrophobicContact CZ-CD2 4.1Å; F170-I176 HydrophobicContact CE2-CD1 3.93Å; F170-I176 HydrophobicContact CE2-CG1 4.12Å; F170-P220 HydrophobicContact CE1-CB 4.33Å; F170-P220 HydrophobicContact CZ-CB 4.34Å | ||
| 171 | Q | 77.6 | Confident | 83.4 | Confident | 172 Ų | 172 | 60.5 Ų | 60.5 | 80% | 0.804 | 33% | 0.331 | S | S | * | . | trans | -102.7 | -37.7 | 174.8 | -67.1 | 176.9 | -11.4 | 0 | 0 | 112.1 | N169 | N169-Q171 PolarHBondContact O-N 3.05Š| ||
| 172 | S | 82.1 | Confident | 83.4 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 36% | 0.357 | 35% | 0.345 | S | S | . | . | trans | -158.8 | 164.5 | 178.5 | 69.9 | 0 | 0 | 0 | 0 | 111 | F170 H174 N175 | F170-S172 WeakPolarHBondContact CE2-O 3.49Å; S172-H174 PolarHBondContact O-N 2.95Å; S172-H174 WeakPolarHBondContact OG-CB 3.39Å; S172-H174 PolarHBondContact OG-N 3.31Å; S172-N175 WeakPolarHBondContact O-CB 3.45Å; S172-N175 PolarHBondContact O-N 2.93Å | ||
| 173 | L | 82.3 | Confident | 83.4 | Confident | 69 Ų | 69 | 64.7 Ų | 64.7 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.9 | -20.3 | 173.8 | -67.5 | 178 | 0 | 0 | 0 | 113.3 | F170 N175 I176 G177 I218 | F170-L173 HydrophobicContact CE2-CD2 4.36Å; F170-L173 HydrophobicContact CZ-CD2 4.1Å; L173-N175 PolarHBondContact O-N 3.29Å; L173-I176 HydrophobicContact CD2-CD1 3.93Å; L173-I176 WeakPolarHBondContact O-CB 3.45Å; L173-I176 PolarHBondContact O-N 3.03Å; L173-G177 PolarHBondContact O-N 2.98Å; L173-I218 VanDerWaalsContact CD1-O 3.27Å; L173-I218 WeakPolarHBondContact CD1-O 3.39Å; L173-I218 HydrophobicContact CD2-CB 4.38Å; L173-I218 HydrophobicContact CD2-CG2 3.89Å |
| 174 | H | 83.6 | Confident | 83.6 | Confident | 141 Ų | 141 | 67.7 Ų | 67.7 | 65% | 0.653 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.2 | -33.8 | 175.3 | -177.8 | -91.1 | 0 | 0 | 0 | 112.1 | S172 I176 G177 S178 | S172-H174 PolarHBondContact O-N 2.95Å; S172-H174 WeakPolarHBondContact OG-CB 3.39Å; S172-H174 PolarHBondContact OG-N 3.31Å; H174-I176 VanDerWaalsContact C-N 3.28Å; H174-I176 PolarHBondContact O-N 2.87Å; H174-G177 PolarHBondContact O-N 2.76Å; H174-G177 VanDerWaalsContact O-N 3.16Å; H174-S178 PolarHBondContact O-N 2.85Å; H174-S178 PolarHBondContact O-OG 3.4Å |
| 175 | N | 83.9 | Confident | 83.8 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 20% | 0.203 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 178.9 | -65.5 | 22.7 | 0 | 0 | 0 | 111.5 | V165 N169 S172 L173 S178 V179 | V165-N175 HydrophobicContact CG2-CB 4.25Å; N169-N175 PolarHBondContact O-ND2 3.02Å; S172-N175 WeakPolarHBondContact O-CB 3.45Å; S172-N175 PolarHBondContact O-N 2.93Å; L173-N175 PolarHBondContact O-N 3.29Å; N175-S178 PolarHBondContact O-OG 2.89Å; N175-V179 WeakPolarHBondContact O-CG2 3.48Å; N175-V179 PolarHBondContact O-N 2.92Å |
| 176 | I | 84.8 | Confident | 84.1 | Confident | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.1 | -48.4 | 173.8 | -54 | 175.8 | 0 | 0 | 0 | 109 | F136 F162 F170 L173 H174 S178 V179 V180 I218 | F136-I176 HydrophobicContact CE2-CD1 3.98Å; F136-I176 HydrophobicContact CE2-CG1 4.42Å; F162-I176 HydrophobicContact CD1-CG2 3.79Å; F162-I176 HydrophobicContact CD2-CG2 4.28Å; F162-I176 HydrophobicContact CE1-CG2 3.75Å; F162-I176 HydrophobicContact CE2-CG2 4.22Å; F162-I176 HydrophobicContact CG-CG2 4.08Å; F162-I176 HydrophobicContact CZ-CG2 3.97Å; F170-I176 HydrophobicContact CE2-CD1 3.93Å; F170-I176 HydrophobicContact CE2-CG1 4.12Å; L173-I176 HydrophobicContact CD2-CD1 3.93Å; L173-I176 WeakPolarHBondContact O-CB 3.45Å; L173-I176 PolarHBondContact O-N 3.03Å; H174-I176 VanDerWaalsContact C-N 3.28Å; H174-I176 PolarHBondContact O-N 2.87Å; I176-S178 VanDerWaalsContact C-N 3.32Å; I176-S178 PolarHBondContact O-N 3.34Å; I176-V179 PolarHBondContact O-N 3.38Å; I176-V180 HydrophobicContact CG2-CG2 4.25Å; I176-V180 WeakPolarHBondContact O-CB 3.41Å; I176-V180 WeakPolarHBondContact O-CG2 3.41Å; I176-V180 PolarHBondContact O-N 2.84Å; I176-I218 HydrophobicContact CD1-CD1 4.45Å; I176-I218 HydrophobicContact CD1-CG2 4.12Å; I176-I218 HydrophobicContact CG2-CD1 4.21Å |
| 177 | G | 85.4 | Confident | 84.4 | Confident | 40 Ų | 40 | 73.2 Ų | 73.2 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.9 | -42.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L173 H174 V180 Q181 | L173-G177 PolarHBondContact O-N 2.98Å; H174-G177 PolarHBondContact O-N 2.76Å; H174-G177 VanDerWaalsContact O-N 3.16Å; G177-V180 PolarHBondContact O-N 3.2Å; G177-Q181 WeakPolarHBondContact O-CB 3.43Å; G177-Q181 PolarHBondContact O-N 3.44Å |
| 178 | S | 86.8 | Confident | 85 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67 | -43.8 | 178.7 | 66.5 | 0 | 0 | 0 | 0 | 112 | H174 N175 I176 V180 Q181 H182 | H174-S178 PolarHBondContact O-N 2.85Å; H174-S178 PolarHBondContact O-OG 3.4Å; N175-S178 PolarHBondContact O-OG 2.89Å; I176-S178 VanDerWaalsContact C-N 3.32Å; I176-S178 PolarHBondContact O-N 3.34Å; S178-V180 VanDerWaalsContact C-N 3.32Å; S178-V180 PolarHBondContact O-N 2.99Å; S178-Q181 PolarHBondContact O-N 3.23Å; S178-H182 PolarHBondContact O-N 3.48Å; S178-H182 PolarHBondContact O-ND1 3.37Å |
| 179 | V | 87 | Confident | 85.8 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 15% | 0.145 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 177.4 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | V165 N175 I176 S183 L188 | V165-V179 HydrophobicContact CG2-CG2 3.81Å; N175-V179 WeakPolarHBondContact O-CG2 3.48Å; N175-V179 PolarHBondContact O-N 2.92Å; I176-V179 PolarHBondContact O-N 3.38Å; V179-S183 WeakPolarHBondContact O-CB 3.45Å; V179-S183 PolarHBondContact O-N 3.47Å; V179-S183 PolarHBondContact O-OG 3.49Å; V179-L188 HydrophobicContact CG1-CD1 4.16Å; V179-L188 HydrophobicContact CG1-CD2 4.18Å |
| 180 | V | 88.4 | Confident | 86.4 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | F162 I176 G177 S178 S183 E184 P205 L213 L214 | F162-V180 HydrophobicContact CE1-CG2 3.49Å; F162-V180 VanDerWaalsContact CE1-CG2 3.49Å; F162-V180 HydrophobicContact CZ-CG2 3.77Å; I176-V180 HydrophobicContact CG2-CG2 4.25Å; I176-V180 WeakPolarHBondContact O-CB 3.41Å; I176-V180 WeakPolarHBondContact O-CG2 3.41Å; I176-V180 PolarHBondContact O-N 2.84Å; G177-V180 PolarHBondContact O-N 3.2Å; S178-V180 VanDerWaalsContact C-N 3.32Å; S178-V180 PolarHBondContact O-N 2.99Å; V180-S183 CarbonylContact O-C 3.55Å; V180-S183 PolarHBondContact O-N 3.47Å; V180-E184 PolarHBondContact O-N 3.44Å; V180-P205 HydrophobicContact CB-CG 4.48Å; V180-P205 HydrophobicContact CG1-CB 3.73Å; V180-P205 HydrophobicContact CG1-CG 3.95Å; V180-L213 HydrophobicContact CG1-CB 3.85Å; V180-L213 HydrophobicContact CG1-CD1 4.21Å; V180-L214 HydrophobicContact CB-CD1 4.43Å; V180-L214 HydrophobicContact CG1-CD1 3.97Å; V180-L214 HydrophobicContact CG1-CD2 3.91Å; V180-L214 HydrophobicContact CG1-CG 3.65Å; V180-L214 HydrophobicContact CG2-CD1 3.57Å; V180-L214 HydrophobicContact CG2-CD2 4.35Å; V180-L214 HydrophobicContact CG2-CG 4.15Å |
| 181 | Q | 87.7 | Confident | 86.9 | Confident | 134 Ų | 134 | 65.2 Ų | 65.2 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.5 | -42.1 | 179.5 | -170.9 | 175.2 | 13.6 | 0 | 0 | 112.2 | G177 S178 S183 | G177-Q181 WeakPolarHBondContact O-CB 3.43Å; G177-Q181 PolarHBondContact O-N 3.44Å; S178-Q181 PolarHBondContact O-N 3.23Å; Q181-S183 PolarHBondContact O-N 2.99Å |
| 182 | H | 88.3 | Confident | 87.6 | Confident | 152 Ų | 152 | 57 Ų | 57 | 70% | 0.704 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -71.7 | -17.1 | 176.7 | -70.7 | 91.3 | 0 | 0 | 0 | 113.3 | S178 | S178-H182 PolarHBondContact O-N 3.48Å; S178-H182 PolarHBondContact O-ND1 3.37Å |
| 183 | S | 87.6 | Confident | 88 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 23 | -178 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | V179 V180 Q181 G185 K186 | V179-S183 WeakPolarHBondContact O-CB 3.45Å; V179-S183 PolarHBondContact O-N 3.47Å; V179-S183 PolarHBondContact O-OG 3.49Å; V180-S183 CarbonylContact O-C 3.55Å; V180-S183 PolarHBondContact O-N 3.47Å; Q181-S183 PolarHBondContact O-N 2.99Å; S183-G185 PolarHBondContact O-N 2.89Å; S183-K186 PolarHBondContact O-N 3.49Å |
| 184 | E | 90.3 | Very high | 88.3 | Confident | 83 Ų | 83 | 54.8 Ų | 54.8 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 123.3 | 173 | -170.2 | 175 | -178.4 | 0 | 0 | 110.1 | V180 K186 R207 L213 | V180-E184 PolarHBondContact O-N 3.44Å; E184-K186 VanDerWaalsContact C-N 3.32Å; E184-K186 PolarHBondContact O-N 3.41Å; E184-R207 WeakPolarHBondContact OE1-CG 3.36Å; E184-R207 IonicContact OE1-NE 3.24Å; E184-R207 PolarHBondContact OE1-NE 2.77Å; E184-L213 HydrophobicContact CB-CD1 4.44Å; E184-L213 HydrophobicContact CG-CD1 4.42Å; E184-L213 HydrophobicContact CG-CD2 4.12Å |
| 185 | G | 87.3 | Confident | 88.3 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 56% | 0.557 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -1.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S183 P205 | S183-G185 PolarHBondContact O-N 2.89Å; G185-P205 PolarHBondContact N-O 2.78Å |
| 186 | K | 90.4 | Very high | 88.2 | Confident | 138 Ų | 138 | 55.6 Ų | 55.6 | 60% | 0.6 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -109 | 143.2 | 179.9 | -65.4 | 179.4 | -176.5 | 173 | 0 | 111.6 | S183 E184 L188 P205 | S183-K186 PolarHBondContact O-N 3.49Å; E184-K186 VanDerWaalsContact C-N 3.32Å; E184-K186 PolarHBondContact O-N 3.41Å; K186-L188 PolarHBondContact O-N 2.91Å; K186-P205 VanDerWaalsContact O-CD 3.25Å; K186-P205 WeakPolarHBondContact O-CD 3.39Å |
| 187 | P | 88.8 | Confident | 88.2 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | trans | -69.7 | 127.2 | 175.2 | 28.4 | -32.8 | 0 | 0 | 0 | 111.3 | R202 V204 | P187-R202 HydrophobicContact CB-CG 3.76Å; P187-V204 HydrophobicContact CB-CG2 4.14Å | ||
| 188 | L | 90.4 | Very high | 88.3 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 9% | 0.089 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.8 | 171.1 | -70 | 175.8 | 0 | 0 | 0 | 109.6 | F162 V179 K186 R202 L203 P205 | F162-L188 HydrophobicContact CE1-CD1 4.04Å; V179-L188 HydrophobicContact CG1-CD1 4.16Å; V179-L188 HydrophobicContact CG1-CD2 4.18Å; K186-L188 PolarHBondContact O-N 2.91Å; L188-R202 WeakPolarHBondContact O-CA 3.3Å; L188-L203 WeakPolarHBondContact CB-O 3.25Å; L188-L203 PolarHBondContact N-O 2.95Å; L188-L203 PolarHBondContact O-N 3.13Å; L188-P205 HydrophobicContact CD1-CG 3.73Å; L188-P205 HydrophobicContact CG-CG 4.45Å |
| 189 | N | 91.2 | Very high | 88.4 | Confident | 98 Ų | 98 | 67.6 Ų | 67.6 | 52% | 0.524 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.8 | 171.4 | -64.5 | -23.5 | 0 | 0 | 0 | 108.9 | G163 | G163-N189 WeakPolarHBondContact CA-O 3.47Å; G163-N189 PolarHBondContact N-O 3.3Å |
| 190 | V | 90.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.006 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126.2 | 178.4 | -175.6 | 0 | 0 | 0 | 0 | 107.6 | I159 E161 F162 V192 L201 L203 | I159-V190 HydrophobicContact CG2-CG1 4.29Å; E161-V190 CarbonylContact O-C 3.59Å; E161-V190 WeakPolarHBondContact O-CA 3.22Å; E161-V190 WeakPolarHBondContact O-CG1 3.35Å; F162-V190 HydrophobicContact CD2-CB 4.38Å; F162-V190 HydrophobicContact CD2-CG1 3.68Å; F162-V190 HydrophobicContact CD2-CG2 3.72Å; F162-V190 HydrophobicContact CE2-CG1 4.19Å; F162-V190 HydrophobicContact CE2-CG2 3.73Å; F162-V190 HydrophobicContact CG-CG1 4.46Å; F162-V190 HydrophobicContact CG-CG2 4.2Å; F162-V190 HydrophobicContact CZ-CG2 4.2Å; V190-V192 HydrophobicContact CG1-CG1 3.94Å; V190-L201 PolarHBondContact N-O 3.42Å; V190-L201 PolarHBondContact O-N 3.13Å; V190-L203 HydrophobicContact CG2-CB 4.04Å |
| 191 | T | 91.3 | Very high | 88.7 | Confident | 14 Ų | 14 | 75.5 Ų | 75.5 | 9% | 0.086 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.2 | 175.3 | -55.6 | 0 | 0 | 0 | 0 | 108.7 | V160 E161 H199 Q200 | V160-T191 HydrophobicContact CB-CG2 4.49Å; V160-T191 PolarHBondContact N-O 3.46Å; E161-T191 PolarHBondContact N-O 2.91Å; E161-T191 PolarHBondContact O-N 3.05Å; T191-H199 WeakPolarHBondContact CA-O 3.22Å; T191-Q200 HydrophobicContact CG2-CG 4.42Å |
| 192 | V | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 157.5 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | L153 D157 E158 I159 V190 K198 H199 L201 | L153-V192 HydrophobicContact CD1-CG1 3.89Å; D157-V192 HydrophobicContact CB-CB 4.13Å; D157-V192 HydrophobicContact CB-CG1 4.32Å; D157-V192 HydrophobicContact CB-CG2 4.34Å; E158-V192 CarbonylContact O-C 3.54Å; E158-V192 WeakPolarHBondContact O-CA 3.4Å; I159-V192 HydrophobicContact CG1-CG1 4.1Å; V190-V192 HydrophobicContact CG1-CG1 3.94Å; V192-K198 CarbonylContact O-C 3.6Å; V192-K198 WeakPolarHBondContact O-CA 3.44Å; V192-H199 HydrophobicContact CG2-CB 3.99Å; V192-H199 PolarHBondContact N-O 2.63Å; V192-H199 PolarHBondContact O-N 3.28Å; V192-L201 HydrophobicContact CG2-CD1 3.8Å; V192-L201 HydrophobicContact CG2-CG 4.31Å |
| 193 | I | 90.2 | Very high | 89 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 11% | 0.108 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.9 | 169.7 | -63.8 | 167 | 0 | 0 | 0 | 107.6 | P133 E158 V160 E197 K198 | P133-I193 HydrophobicContact CB-CD1 4.19Å; P133-I193 HydrophobicContact CG-CD1 3.86Å; E158-I193 HydrophobicContact CB-CB 4.2Å; E158-I193 PolarHBondContact N-O 3.34Å; E158-I193 VanDerWaalsContact N-O 3.08Å; E158-I193 PolarHBondContact O-N 2.84Å; V160-I193 HydrophobicContact CG2-CD1 3.39Å; V160-I193 HydrophobicContact CG2-CG1 3.58Å; I193-E197 CarbonylContact C-O 3.39Å; I193-E197 VanDerWaalsContact CA-O 3.28Å; I193-E197 WeakPolarHBondContact CA-O 3.38Å; I193-K198 HydrophobicContact CG1-CG 4.31Å |
| 194 | R | 89.8 | Confident | 89.2 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.3 | 174.8 | -172.8 | -178.3 | -62.8 | 164 | 1.5 | 108 | G152 Q154 D157 G196 E197 | G152-R194 PolarHBondContact O-NH2 3.05Å; Q154-R194 VanDerWaalsContact CG-NH2 3.32Å; Q154-R194 VanDerWaalsContact OE1-NE 3.13Å; D157-R194 IonicContact OD1-CZ 3.55Å; D157-R194 IonicContact OD1-NE 2.81Å; D157-R194 PolarHBondContact OD1-NE 2.78Å; D157-R194 IonicContact OD1-NH2 3.41Å; D157-R194 PolarHBondContact OD1-NH2 3.35Å; D157-R194 IonicContact OD2-CZ 3.7Å; D157-R194 IonicContact OD2-NE 3.73Å; D157-R194 IonicContact OD2-NH2 2.81Å; D157-R194 PolarHBondContact OD2-NH2 3.48Å; R194-G196 PolarHBondContact O-N 2.85Å; R194-E197 PolarHBondContact N-O 3.41Å; R194-E197 PolarHBondContact O-N 3.41Å |
| 195 | S | 83.7 | Confident | 89.2 | Confident | 129 Ų | 129 | 67.8 Ų | 67.8 | 90% | 0.902 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 28.6 | -178.8 | -56.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 196 | G | 80.6 | Confident | 89.4 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -6.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R194 | R194-G196 PolarHBondContact O-N 2.85Š|
| 197 | E | 84.7 | Confident | 89.3 | Confident | 133 Ų | 133 | 71 Ų | 71 | 62% | 0.621 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143 | 176.3 | -65.1 | -166.6 | 150.3 | 0 | 0 | 111.8 | I193 R194 H199 | I193-E197 CarbonylContact C-O 3.39Å; I193-E197 VanDerWaalsContact CA-O 3.28Å; I193-E197 WeakPolarHBondContact CA-O 3.38Å; R194-E197 PolarHBondContact N-O 3.41Å; R194-E197 PolarHBondContact O-N 3.41Å; E197-H199 PolarHBondContact O-CD2 3.43Å |
| 198 | K | 87.6 | Confident | 89.3 | Confident | 133 Ų | 133 | 70.3 Ų | 70.3 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.2 | 175.9 | -71.3 | -175.4 | -178.3 | 179.9 | 0 | 110.4 | V192 I193 | V192-K198 CarbonylContact O-C 3.6Å; V192-K198 WeakPolarHBondContact O-CA 3.44Å; I193-K198 HydrophobicContact CG1-CG 4.31Å |
| 199 | H | 88.3 | Confident | 88.9 | Confident | 64 Ų | 64 | 74.9 Ų | 74.9 | 30% | 0.296 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.8 | 171.3 | -64.5 | -85.7 | 0 | 0 | 0 | 110.5 | T191 V192 E197 | T191-H199 WeakPolarHBondContact CA-O 3.22Å; V192-H199 HydrophobicContact CG2-CB 3.99Å; V192-H199 PolarHBondContact N-O 2.63Å; V192-H199 PolarHBondContact O-N 3.28Å; E197-H199 PolarHBondContact O-CD2 3.43Å |
| 200 | Q | 91.3 | Very high | 88.4 | Confident | 169 Ų | 169 | 71.8 Ų | 71.8 | 79% | 0.79 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 120.7 | 170.3 | -74.4 | -175.2 | -14.8 | 0 | 0 | 109.5 | T191 | T191-Q200 HydrophobicContact CG2-CG 4.42Å |
| 201 | L | 91.4 | Very high | 87.8 | Confident | 30 Ų | 30 | 81.5 Ų | 81.5 | 16% | 0.157 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 147.6 | -179.1 | -58.2 | 176.8 | 0 | 0 | 0 | 109.7 | L153 V190 V192 | L153-L201 HydrophobicContact CB-CD1 4.45Å; L153-L201 HydrophobicContact CD1-CD1 3.76Å; V190-L201 PolarHBondContact N-O 3.42Å; V190-L201 PolarHBondContact O-N 3.13Å; V192-L201 HydrophobicContact CG2-CD1 3.8Å; V192-L201 HydrophobicContact CG2-CG 4.31Å |
| 202 | R | 92.6 | Very high | 87.5 | Confident | 170 Ų | 170 | 83.2 Ų | 83.2 | 64% | 0.642 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 111.6 | 174.6 | -175.2 | 179.7 | -66.9 | -161.9 | 1.8 | 109 | A151 P187 L188 | A151-R202 WeakPolarHBondContact CB-O 3.26Å; P187-R202 HydrophobicContact CB-CG 3.76Å; L188-R202 WeakPolarHBondContact O-CA 3.3Å |
| 203 | L | 90.7 | Very high | 87.2 | Confident | 2 Ų | 2 | 84.7 Ų | 84.7 | 1% | 0.01 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131.5 | -176.1 | -178.6 | 150.8 | 0 | 0 | 0 | 109.9 | A148 A151 F162 L188 V190 P205 L214 | A148-L203 HydrophobicContact CB-CD1 4.24Å; A151-L203 HydrophobicContact CB-CB 3.89Å; A151-L203 HydrophobicContact CB-CD1 4.36Å; A151-L203 HydrophobicContact CB-CG 4.11Å; F162-L203 HydrophobicContact CZ-CD2 4.4Å; L188-L203 WeakPolarHBondContact CB-O 3.25Å; L188-L203 PolarHBondContact N-O 2.95Å; L188-L203 PolarHBondContact O-N 3.13Å; V190-L203 HydrophobicContact CG2-CB 4.04Å; L203-P205 HydrophobicContact CD2-CG 3.92Å; L203-L214 HydrophobicContact CD1-CD2 4Å; L203-L214 HydrophobicContact CD2-CD2 3.13Å; L203-L214 HydrophobicContact CG-CD2 4.01Å |
| 204 | V | 91.3 | Very high | 86.9 | Confident | 55 Ų | 55 | 84.5 Ų | 84.5 | 33% | 0.333 | 45% | 0.453 | S | S | . | . | trans | -116.3 | 105 | 179.6 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | P147 P187 T206 | P147-V204 WeakPolarHBondContact CB-O 3.44Å; P187-V204 HydrophobicContact CB-CG2 4.14Å; V204-T206 HydrophobicContact CG1-CG2 4.06Å; V204-T206 PolarHBondContact O-N 2.77Å | ||
| 205 | P | 90.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 45% | 0.449 | C | S | . | . | trans | -63.2 | 122.4 | 177.8 | -21.2 | 33.3 | 0 | 0 | 0 | 111.1 | V180 G185 K186 L188 L203 L213 L214 | V180-P205 HydrophobicContact CB-CG 4.48Å; V180-P205 HydrophobicContact CG1-CB 3.73Å; V180-P205 HydrophobicContact CG1-CG 3.95Å; G185-P205 PolarHBondContact N-O 2.78Å; K186-P205 VanDerWaalsContact O-CD 3.25Å; K186-P205 WeakPolarHBondContact O-CD 3.39Å; L188-P205 HydrophobicContact CD1-CG 3.73Å; L188-P205 HydrophobicContact CG-CG 4.45Å; L203-P205 HydrophobicContact CD2-CG 3.92Å; P205-L213 WeakPolarHBondContact CA-O 3.4Å; P205-L213 HydrophobicContact CB-CB 4.17Å; P205-L214 HydrophobicContact CB-CD2 4.14Å; P205-L214 HydrophobicContact CG-CD2 4.12Å | ||
| 206 | T | 90.2 | Very high | 87 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | trans | -144.8 | 153.5 | -179.9 | 52 | 0 | 0 | 0 | 0 | 110.3 | P147 V204 W208 L213 | P147-T206 VanDerWaalsContact CG-OG1 3.27Å; P147-T206 WeakPolarHBondContact CG-OG1 3.45Å; V204-T206 HydrophobicContact CG1-CG2 4.06Å; V204-T206 PolarHBondContact O-N 2.77Å; T206-W208 PolarHBondContact O-N 3.33Å; T206-L213 PolarHBondContact N-O 3.3Å; T206-L213 CarbonylContact O-C 3.48Å; T206-L213 WeakPolarHBondContact O-CA 3.32Å; T206-L213 VanDerWaalsContact O-O 3.05Å | ||
| 207 | R | 88.8 | Confident | 87.4 | Confident | 203 Ų | 203 | 78 Ų | 78 | 77% | 0.766 | 40% | 0.401 | S | S | * | . | trans | -68.2 | 130.3 | 171.4 | -66.8 | -175.7 | -173.6 | -163.1 | -3.1 | 109.3 | E184 L213 | E184-R207 WeakPolarHBondContact OE1-CG 3.36Å; E184-R207 IonicContact OE1-NE 3.24Å; E184-R207 PolarHBondContact OE1-NE 2.77Å; R207-L213 HydrophobicContact CG-CD2 3.77Å | ||
| 208 | W | 87.8 | Confident | 87.6 | Confident | 60 Ų | 60 | 72.6 Ų | 72.6 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | trans | -134.1 | 179.5 | -178.2 | 68.6 | -66.6 | 0 | 0 | 0 | 109.6 | P147 T206 G210 G212 | P147-W208 HydrophobicContact CG-CB 4.34Å; P147-W208 HydrophobicContact CG-CG 4.3Å; T206-W208 PolarHBondContact O-N 3.33Å; W208-G210 VanDerWaalsContact CZ2-CA 3.48Å; W208-G210 PolarHBondContact O-N 2.98Å; W208-G210 VanDerWaalsContact O-N 3.12Å; W208-G212 PolarHBondContact NE1-O 3.42Å; W208-G212 VanDerWaalsContact NE1-O 3.14Å | ||
| 209 | A | 82.3 | Confident | 87.7 | Confident | 114 Ų | 114 | 69.3 Ų | 69.3 | 94% | 0.942 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -66.3 | -12.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 210 | G | 81.1 | Confident | 87.7 | Confident | 33 Ų | 33 | 69.2 Ų | 69.2 | 34% | 0.34 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -103.3 | -166.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | W208 | W208-G210 VanDerWaalsContact CZ2-CA 3.48Å; W208-G210 PolarHBondContact O-N 2.98Å; W208-G210 VanDerWaalsContact O-N 3.12Å |
| 211 | K | 78.1 | Confident | 87.2 | Confident | 204 Ų | 204 | 63.8 Ų | 63.8 | 89% | 0.887 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -82.2 | 129.8 | -178.4 | -168.8 | 177.9 | 178.8 | -177.9 | 0 | 111 | ||
| 212 | G | 84.9 | Confident | 85.7 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 52% | 0.515 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 85.1 | -165.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | W208 | W208-G212 PolarHBondContact NE1-O 3.42Å; W208-G212 VanDerWaalsContact NE1-O 3.14Å |
| 213 | L | 85.2 | Confident | 83.8 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -105.5 | -7.2 | -171.9 | -63.2 | 173 | 0 | 0 | 0 | 114.8 | V180 E184 P205 T206 R207 | V180-L213 HydrophobicContact CG1-CB 3.85Å; V180-L213 HydrophobicContact CG1-CD1 4.21Å; E184-L213 HydrophobicContact CB-CD1 4.44Å; E184-L213 HydrophobicContact CG-CD1 4.42Å; E184-L213 HydrophobicContact CG-CD2 4.12Å; P205-L213 WeakPolarHBondContact CA-O 3.4Å; P205-L213 HydrophobicContact CB-CB 4.17Å; T206-L213 PolarHBondContact N-O 3.3Å; T206-L213 CarbonylContact O-C 3.48Å; T206-L213 WeakPolarHBondContact O-CA 3.32Å; T206-L213 VanDerWaalsContact O-O 3.05Å; R207-L213 HydrophobicContact CG-CD2 3.77Å |
| 214 | L | 85.1 | Confident | 83.5 | Confident | 17 Ų | 17 | 80.6 Ų | 80.6 | 9% | 0.089 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -122.5 | -40.1 | -174.9 | -65.8 | -176.6 | 0 | 0 | 0 | 114.1 | S146 P147 A148 F162 V180 L203 P205 | S146-L214 WeakPolarHBondContact CB-O 3.42Å; S146-L214 PolarHBondContact OG-O 3.04Å; P147-L214 WeakPolarHBondContact CD-O 3.42Å; A148-L214 VanDerWaalsContact CB-O 3.29Å; A148-L214 WeakPolarHBondContact CB-O 3.5Å; A148-L214 PolarHBondContact N-O 2.98Å; F162-L214 HydrophobicContact CZ-CD1 3.98Å; V180-L214 HydrophobicContact CB-CD1 4.43Å; V180-L214 HydrophobicContact CG1-CD1 3.97Å; V180-L214 HydrophobicContact CG1-CD2 3.91Å; V180-L214 HydrophobicContact CG1-CG 3.65Å; V180-L214 HydrophobicContact CG2-CD1 3.57Å; V180-L214 HydrophobicContact CG2-CD2 4.35Å; V180-L214 HydrophobicContact CG2-CG 4.15Å; L203-L214 HydrophobicContact CD1-CD2 4Å; L203-L214 HydrophobicContact CD2-CD2 3.13Å; L203-L214 HydrophobicContact CG-CD2 4.01Å; P205-L214 HydrophobicContact CB-CD2 4.14Å; P205-L214 HydrophobicContact CG-CD2 4.12Å |
| 215 | G | 87.1 | Confident | 83.1 | Confident | 12 Ų | 12 | 81.9 Ų | 81.9 | 12% | 0.124 | 42% | 0.424 | C | S | . | . | trans | 70.8 | 25.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.8 | S143 | S143-G215 WeakPolarHBondContact CB-O 3.35Å; S143-G215 PolarHBondContact N-O 2.91Å | ||
| 216 | C | 87.7 | Confident | 82.6 | Confident | 28 Ų | 28 | 86.5 Ų | 86.5 | 19% | 0.189 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 149.8 | 169.7 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | V139 S141 I142 A148 L153 | V139-C216 HydrophobicContact CG1-CB 4.47Å; S141-C216 CarbonylContact O-C 3.6Å; S141-C216 VanDerWaalsContact O-CA 3.3Å; S141-C216 WeakPolarHBondContact O-CA 3.2Å; I142-C216 HydrophobicContact CG1-CB 4.12Å; A148-C216 HydrophobicContact CB-CB 3.76Å; L153-C216 HydrophobicContact CD2-CB 4.25Å |
| 217 | N | 89.4 | Confident | 82.2 | Confident | 74 Ų | 74 | 88.2 Ų | 88.2 | 40% | 0.396 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.8 | 171.2 | -172.4 | 24.4 | 0 | 0 | 0 | 109.2 | N140 S141 | N140-N217 HydrophobicContact CB-CB 4.47Å; N140-N217 PolarHBondContact N-O 3.04Å; N140-N217 PolarHBondContact ND2-ND2 3.04Å; S141-N217 PolarHBondContact O-N 3.27Å; S141-N217 VanDerWaalsContact OG-CB 3.28Å; S141-N217 WeakPolarHBondContact OG-CB 3.4Å |
| 218 | I | 89.2 | Confident | 81.8 | Confident | 18 Ų | 18 | 81.1 Ų | 81.1 | 9% | 0.092 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 130.3 | -178.7 | -58.6 | 171.1 | 0 | 0 | 0 | 107.6 | A137 K138 I159 L173 I176 | A137-I218 HydrophobicContact CB-CG2 3.58Å; K138-I218 WeakPolarHBondContact O-CA 3.34Å; I159-I218 HydrophobicContact CD1-CD1 3.97Å; I159-I218 HydrophobicContact CD1-CG1 4.24Å; I159-I218 HydrophobicContact CD1-CG2 3.95Å; L173-I218 VanDerWaalsContact CD1-O 3.27Å; L173-I218 WeakPolarHBondContact CD1-O 3.39Å; L173-I218 HydrophobicContact CD2-CB 4.38Å; L173-I218 HydrophobicContact CD2-CG2 3.89Å; I176-I218 HydrophobicContact CD1-CD1 4.45Å; I176-I218 HydrophobicContact CD1-CG2 4.12Å; I176-I218 HydrophobicContact CG2-CD1 4.21Å |
| 219 | I | 89.6 | Confident | 81.4 | Confident | 65 Ų | 65 | 82.5 Ų | 82.5 | 33% | 0.333 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 141.7 | 177 | 57.3 | 172.8 | 0 | 0 | 0 | 109.5 | A137 K138 N140 | A137-I219 CarbonylContact C-O 3.59Å; A137-I219 VanDerWaalsContact CA-O 3.31Å; A137-I219 WeakPolarHBondContact CA-O 3.17Å; K138-I219 HydrophobicContact CB-CG1 4.27Å; K138-I219 PolarHBondContact N-O 3.35Å; K138-I219 WeakPolarHBondContact O-CG1 3.41Å; K138-I219 PolarHBondContact O-N 3.03Å; N140-I219 HydrophobicContact CB-CD1 4.22Å; N140-I219 HydrophobicContact CB-CG1 4.26Å; N140-I219 HydrophobicContact CB-CG2 4.13Å |
| 220 | P | 87.1 | Confident | 81.3 | Confident | 61 Ų | 61 | 80.2 Ų | 80.2 | 40% | 0.396 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 139.2 | 174.4 | 31 | -33.7 | 0 | 0 | 0 | 109.2 | F170 Q222 | F170-P220 HydrophobicContact CE1-CB 4.33Å; F170-P220 HydrophobicContact CZ-CB 4.34Å; P220-Q222 PolarHBondContact O-N 3.24Å |
| 221 | L | 81.5 | Confident | 81.4 | Confident | 55 Ų | 55 | 83.8 Ų | 83.8 | 29% | 0.288 | 42% | 0.418 | S | S | . | . | trans | -79.7 | 96.4 | 169.7 | -78.6 | 159.5 | 0 | 0 | 0 | 107.3 | A135 F136 A137 K138 E158 R223 | A135-L221 HydrophobicContact CB-CD1 3.69Å; F136-L221 PolarHBondContact O-N 3.33Å; A137-L221 WeakPolarHBondContact O-CD1 3.38Å; K138-L221 HydrophobicContact CB-CD1 4.11Å; K138-L221 HydrophobicContact CB-CD2 3.98Å; K138-L221 HydrophobicContact CB-CG 3.89Å; K138-L221 HydrophobicContact CD-CD2 4.39Å; E158-L221 HydrophobicContact CG-CD1 4.35Å; L221-R223 PolarHBondContact O-N 2.74Å | ||
| 222 | Q | 59.8 | Low | 81.6 | Confident | 187 Ų | 187 | 73.8 Ų | 73.8 | 87% | 0.874 | 38% | 0.379 | S | S | * | . | trans | -73.1 | 114.7 | 168.2 | -76.3 | -174.5 | -35.2 | 0 | 0 | 108.6 | P220 | P220-Q222 PolarHBondContact O-N 3.24Š| ||
| 223 | R | 53.1 | Low | 81.3 | Confident | 288 Ų | 288 | 76 Ų | 76 | 100% | 1.087 | 37% | 0.366 | S | S | * | . | trans | -127.8 | 0 | 160.9 | -81.2 | -168.2 | -174.9 | 174.7 | 6.1 | 108.9 | L221 | L221-R223 PolarHBondContact O-N 2.74Š|
Retrieved 223 of 223 residues in 169.8 ms
(Link to these results)