| 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 | 33.8 | Very low | 48 | Very low | 250 Ų | 250 | 154.9 Ų | 154.9 | 100% | 1.232 | 84% | 0.841 | S | S | * | * | 0 | 118.3 | 0 | -139.5 | 78 | 175.7 | 0 | 0 | 106.4 | |||||
| 2 | A | 56.9 | Low | 48.1 | Very low | 99 Ų | 99 | 154 Ų | 154 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -85 | 177 | -153.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 3 | P | 51.9 | Low | 48.1 | Very low | 132 Ų | 132 | 149.1 Ų | 149.1 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | -144.5 | 165.4 | 54.8 | 33.3 | -9.4 | 0 | 0 | 0 | 117.5 | |||||
| 4 | A | 52 | Low | 47.9 | Very low | 93 Ų | 93 | 154 Ų | 154 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -99.6 | 142.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 5 | K | 48.1 | Very low | 47.7 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | 39.7 | 104.5 | 133.2 | -114.9 | 173.3 | -177.8 | -179.7 | 0 | 119.2 | ||||
| 6 | D | 49.4 | Very low | 47.7 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | 40 | 94.4 | 115.7 | -33.2 | -26.9 | 0 | 0 | 0 | 116.8 | |||||
| 7 | H | 45.6 | Very low | 47.8 | Very low | 192 Ų | 192 | 146 Ų | 146 | 89% | 0.889 | 81% | 0.808 | S | S | * | * | trans | -114.3 | 102.5 | 156 | -102.8 | -71.6 | 0 | 0 | 0 | 108.1 | E9 | H7-E9 PolarHBondContact O-N 3.07Š| ||
| 8 | E | 48 | Very low | 48 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -81 | 100.8 | 170.3 | -172.8 | 164.3 | 174.7 | 0 | 0 | 107.4 | ||||
| 9 | E | 48.7 | Very low | 48.5 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -94.5 | 97.8 | 174.2 | -169.9 | 167.9 | -167.5 | 0 | 0 | 107.5 | H7 D11 | H7-E9 PolarHBondContact O-N 3.07Å; E9-D11 PolarHBondContact O-N 3.37Å | ||
| 10 | T | 45.6 | Very low | 49.2 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | -67.7 | 94.1 | 168.4 | 45.3 | 0 | 0 | 0 | 0 | 108.5 | D12 | T10-D12 PolarHBondContact O-N 2.96Š| ||
| 11 | D | 47.5 | Very low | 50.1 | Low | 137 Ų | 137 | 144.7 Ų | 144.7 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -66.6 | 94.1 | 172 | -176.2 | 25.2 | 0 | 0 | 0 | 109.3 | E9 S13 | E9-D11 PolarHBondContact O-N 3.37Å; D11-S13 PolarHBondContact O-N 3.42Å | ||
| 12 | D | 49.4 | Very low | 51.8 | Low | 144 Ų | 144 | 135.7 Ų | 135.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -73.9 | 66.2 | 175.1 | -144.3 | 9.1 | 0 | 0 | 0 | 108.6 | T10 Y14 | T10-D12 PolarHBondContact O-N 2.96Å; D12-Y14 PolarHBondContact O-N 3.28Å | ||
| 13 | S | 48.2 | Very low | 53.1 | Low | 90 Ų | 90 | 135.9 Ų | 135.9 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | -78.6 | 61.9 | -179.9 | -164.3 | 0 | 0 | 0 | 0 | 110.8 | D11 G15 | D11-S13 PolarHBondContact O-N 3.42Å; S13-G15 VanDerWaalsContact C-N 3.28Å | ||
| 14 | Y | 45.8 | Very low | 54.5 | Low | 218 Ų | 218 | 136.1 Ų | 136.1 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | trans | -102.6 | 51.4 | 155.7 | -76.7 | -83.7 | 0 | 0 | 0 | 108.6 | D12 V16 | D12-Y14 PolarHBondContact O-N 3.28Å; Y14-V16 PolarHBondContact O-N 2.79Å | ||
| 15 | G | 44.8 | Very low | 56.1 | Low | 60 Ų | 60 | 133.9 Ų | 133.9 | 62% | 0.619 | 73% | 0.729 | S | S | * | * | trans | -79.3 | 95 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S13 | S13-G15 VanDerWaalsContact C-N 3.28Š| ||
| 16 | V | 47 | Very low | 57.9 | Low | 129 Ų | 129 | 131.6 Ų | 131.6 | 78% | 0.782 | 72% | 0.716 | S | S | * | * | trans | 60.1 | 87.4 | 142 | -168.1 | 0 | 0 | 0 | 0 | 114.5 | Y14 D18 | Y14-V16 PolarHBondContact O-N 2.79Å; V16-D18 VanDerWaalsContact C-N 3.33Å; V16-D18 PolarHBondContact O-N 3.13Å | ||
| 17 | V | 49.4 | Very low | 59.6 | Low | 137 Ų | 137 | 130.8 Ų | 130.8 | 83% | 0.83 | 71% | 0.706 | S | S | * | * | trans | -53.2 | 103.6 | 153 | -113.3 | 0 | 0 | 0 | 0 | 107.3 | V19 | V17-V19 PolarHBondContact O-N 2.98Š| ||
| 18 | D | 51.6 | Low | 61.6 | Low | 137 Ų | 137 | 126.4 Ų | 126.4 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | trans | -58.2 | 100.9 | 175 | -173.3 | 12.6 | 0 | 0 | 0 | 107.3 | V16 C20 | V16-D18 VanDerWaalsContact C-N 3.33Å; V16-D18 PolarHBondContact O-N 3.13Å; D18-C20 PolarHBondContact O-N 3.38Å | ||
| 19 | V | 58.7 | Low | 63.5 | Low | 122 Ų | 122 | 119.9 Ų | 119.9 | 74% | 0.739 | 67% | 0.666 | S | S | * | * | trans | -69.5 | 83.8 | 176.2 | -179.5 | 0 | 0 | 0 | 0 | 105.8 | V17 K21 | V17-V19 PolarHBondContact O-N 2.98Å; V19-K21 PolarHBondContact O-N 3.3Å | ||
| 20 | C | 61.9 | Low | 65.3 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 73% | 0.73 | 64% | 0.641 | S | S | * | * | trans | -47.8 | 106.8 | 178.3 | -130.8 | 0 | 0 | 0 | 0 | 108 | D18 | D18-C20 PolarHBondContact O-N 3.38Š| ||
| 21 | K | 68.9 | Low | 67.3 | Low | 190 Ų | 190 | 111.9 Ų | 111.9 | 83% | 0.826 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 127.3 | -177.6 | -77.2 | 174.6 | -179.5 | 161.4 | 0 | 108 | V19 T23 | V19-K21 PolarHBondContact O-N 3.3Å; K21-T23 PolarHBondContact O-N 2.98Å |
| 22 | P | 68.6 | Low | 69.2 | Low | 61 Ų | 61 | 111.5 Ų | 111.5 | 40% | 0.396 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 129.9 | -177.6 | 15.7 | -26.1 | 0 | 0 | 0 | 110.3 | Y26 K27 | P22-Y26 HydrophobicContact CB-CD1 3.35Å; P22-Y26 HydrophobicContact CB-CE1 3.93Å; P22-Y26 HydrophobicContact CB-CG 4.05Å; P22-Y26 HydrophobicContact CG-CD1 4.38Å; P22-K27 HydrophobicContact CB-CG 4.35Å; P22-K27 HydrophobicContact CG-CG 4.46Å |
| 23 | T | 83.1 | Confident | 71.2 | Confident | 102 Ų | 102 | 109.1 Ų | 109.1 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 152.1 | 178.7 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | K21 G25 Y26 K27 | K21-T23 PolarHBondContact O-N 2.98Å; T23-G25 PolarHBondContact O-N 3.37Å; T23-G25 VanDerWaalsContact O-N 3.12Å; T23-Y26 WeakPolarHBondContact O-CB 3.22Å; T23-Y26 PolarHBondContact O-N 2.86Å; T23-Y26 PolarHBondContact OG1-N 3.08Å; T23-K27 PolarHBondContact O-N 2.82Å |
| 24 | L | 82.6 | Confident | 73.3 | Confident | 137 Ų | 137 | 108.4 Ų | 108.4 | 72% | 0.717 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -52.3 | -38 | 179.3 | -175.9 | 67.9 | 0 | 0 | 0 | 111.7 | K27 L28 | L24-K27 PolarHBondContact O-N 3.5Å; L24-L28 HydrophobicContact CG-CD1 4.16Å; L24-L28 WeakPolarHBondContact O-CG 3.11Å; L24-L28 PolarHBondContact O-N 3.05Å |
| 25 | G | 86.1 | Confident | 75.5 | Confident | 47 Ų | 47 | 101 Ų | 101 | 49% | 0.485 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.5 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T23 L28 A29 | T23-G25 PolarHBondContact O-N 3.37Å; T23-G25 VanDerWaalsContact O-N 3.12Å; G25-L28 PolarHBondContact O-N 2.63Å; G25-A29 WeakPolarHBondContact O-CB 3.43Å; G25-A29 PolarHBondContact O-N 2.87Å |
| 26 | Y | 85.9 | Confident | 77.7 | Confident | 127 Ų | 127 | 104.1 Ų | 104.1 | 50% | 0.498 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.3 | -43.8 | 175.2 | 173.9 | -88.2 | 0 | 0 | 0 | 111.8 | P22 T23 L28 A29 M30 | P22-Y26 HydrophobicContact CB-CD1 3.35Å; P22-Y26 HydrophobicContact CB-CE1 3.93Å; P22-Y26 HydrophobicContact CB-CG 4.05Å; P22-Y26 HydrophobicContact CG-CD1 4.38Å; T23-Y26 WeakPolarHBondContact O-CB 3.22Å; T23-Y26 PolarHBondContact O-N 2.86Å; T23-Y26 PolarHBondContact OG1-N 3.08Å; Y26-L28 VanDerWaalsContact C-N 3.34Å; Y26-L28 PolarHBondContact O-N 3.27Å; Y26-A29 PolarHBondContact O-N 3.28Å; Y26-M30 HydrophobicContact CD1-CG 4.06Å; Y26-M30 HydrophobicContact CD2-CG 4.34Å; Y26-M30 HydrophobicContact CE1-CG 3.62Å; Y26-M30 HydrophobicContact CE2-CG 3.9Å; Y26-M30 HydrophobicContact CE2-SD 4.2Å; Y26-M30 HydrophobicContact CG-CG 4.42Å; Y26-M30 WeakPolarHBondContact O-CG 3.31Å; Y26-M30 PolarHBondContact O-N 2.87Å |
| 27 | K | 84.3 | Confident | 79.9 | Confident | 127 Ų | 127 | 102.7 Ų | 102.7 | 55% | 0.552 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.9 | -43.5 | 178.7 | -65.6 | -172.7 | -175.1 | -177.3 | 0 | 111.4 | P22 T23 L24 A31 | P22-K27 HydrophobicContact CB-CG 4.35Å; P22-K27 HydrophobicContact CG-CG 4.46Å; T23-K27 PolarHBondContact O-N 2.82Å; L24-K27 PolarHBondContact O-N 3.5Å; K27-A31 VanDerWaalsContact O-CB 3.23Å; K27-A31 WeakPolarHBondContact O-CB 3.22Å; K27-A31 PolarHBondContact O-N 3.49Å |
| 28 | L | 87.8 | Confident | 82 | Confident | 101 Ų | 101 | 102.9 Ų | 102.9 | 53% | 0.529 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.6 | -43.6 | 175.5 | -74.1 | 164.7 | 0 | 0 | 0 | 111.6 | L24 G25 Y26 A31 L32 | L24-L28 HydrophobicContact CG-CD1 4.16Å; L24-L28 WeakPolarHBondContact O-CG 3.11Å; L24-L28 PolarHBondContact O-N 3.05Å; G25-L28 PolarHBondContact O-N 2.63Å; Y26-L28 VanDerWaalsContact C-N 3.34Å; Y26-L28 PolarHBondContact O-N 3.27Å; L28-A31 PolarHBondContact O-N 2.87Å; L28-L32 WeakPolarHBondContact O-CG 3.27Å; L28-L32 PolarHBondContact O-N 2.91Å; L28-L32 VanDerWaalsContact O-N 3.08Å |
| 29 | A | 87.4 | Confident | 84.1 | Confident | 43 Ų | 43 | 102.9 Ų | 102.9 | 36% | 0.355 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61 | -48.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G25 Y26 A31 L32 L33 | G25-A29 WeakPolarHBondContact O-CB 3.43Å; G25-A29 PolarHBondContact O-N 2.87Å; Y26-A29 PolarHBondContact O-N 3.28Å; A29-A31 PolarHBondContact O-N 2.9Å; A29-L32 PolarHBondContact O-N 3.46Å; A29-L33 VanDerWaalsContact O-CB 3.28Å; A29-L33 WeakPolarHBondContact O-CB 3.41Å; A29-L33 VanDerWaalsContact O-CG 3.22Å; A29-L33 WeakPolarHBondContact O-CG 3.46Å; A29-L33 PolarHBondContact O-N 3.37Å |
| 30 | M | 87.6 | Confident | 85.8 | Confident | 66 Ų | 66 | 101.3 Ų | 101.3 | 33% | 0.325 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 177.7 | -67 | -62.6 | -81 | 0 | 0 | 112 | Y26 L32 L33 L34 | Y26-M30 HydrophobicContact CD1-CG 4.06Å; Y26-M30 HydrophobicContact CD2-CG 4.34Å; Y26-M30 HydrophobicContact CE1-CG 3.62Å; Y26-M30 HydrophobicContact CE2-CG 3.9Å; Y26-M30 HydrophobicContact CE2-SD 4.2Å; Y26-M30 HydrophobicContact CG-CG 4.42Å; Y26-M30 WeakPolarHBondContact O-CG 3.31Å; Y26-M30 PolarHBondContact O-N 2.87Å; M30-L32 PolarHBondContact O-N 3.17Å; M30-L33 PolarHBondContact O-N 2.88Å; M30-L34 HydrophobicContact CB-CD1 4.4Å; M30-L34 HydrophobicContact CE-CD1 4.43Å; M30-L34 HydrophobicContact CE-CG 4.49Å; M30-L34 VanDerWaalsContact O-CB 3.29Å; M30-L34 WeakPolarHBondContact O-CB 3.42Å; M30-L34 VanDerWaalsContact O-CG 3.28Å; M30-L34 WeakPolarHBondContact O-CG 3.3Å; M30-L34 PolarHBondContact O-N 3.38Å |
| 31 | A | 87.2 | Confident | 87.4 | Confident | 67 Ų | 67 | 102.1 Ų | 102.1 | 55% | 0.554 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -28.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K27 L28 A29 P35 | K27-A31 VanDerWaalsContact O-CB 3.23Å; K27-A31 WeakPolarHBondContact O-CB 3.22Å; K27-A31 PolarHBondContact O-N 3.49Å; L28-A31 PolarHBondContact O-N 2.87Å; A29-A31 PolarHBondContact O-N 2.9Å; A31-P35 WeakPolarHBondContact O-CD 3.3Å; A31-P35 WeakPolarHBondContact O-CG 3.35Å |
| 32 | L | 86.8 | Confident | 88.7 | Confident | 129 Ų | 129 | 99.3 Ų | 99.3 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -90.5 | -38.1 | 176.1 | -67 | 172.8 | 0 | 0 | 0 | 112.9 | L28 A29 M30 P35 | L28-L32 WeakPolarHBondContact O-CG 3.27Å; L28-L32 PolarHBondContact O-N 2.91Å; L28-L32 VanDerWaalsContact O-N 3.08Å; A29-L32 PolarHBondContact O-N 3.46Å; M30-L32 PolarHBondContact O-N 3.17Å; L32-P35 WeakPolarHBondContact O-CD 3.21Å; L32-P35 WeakPolarHBondContact O-CG 3.14Å |
| 33 | L | 91.8 | Very high | 90 | Very high | 93 Ų | 93 | 102.1 Ų | 102.1 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -75.5 | -43.1 | -176.2 | -72.5 | 173.2 | 0 | 0 | 0 | 112.8 | A29 M30 F36 I37 | A29-L33 VanDerWaalsContact O-CB 3.28Å; A29-L33 WeakPolarHBondContact O-CB 3.41Å; A29-L33 VanDerWaalsContact O-CG 3.22Å; A29-L33 WeakPolarHBondContact O-CG 3.46Å; A29-L33 PolarHBondContact O-N 3.37Å; M30-L33 PolarHBondContact O-N 2.88Å; L33-F36 WeakPolarHBondContact O-CB 3.4Å; L33-F36 PolarHBondContact O-N 2.86Å; L33-I37 VanDerWaalsContact O-CG1 3.27Å; L33-I37 WeakPolarHBondContact O-CG1 3.41Å; L33-I37 PolarHBondContact O-N 2.84Å |
| 34 | L | 91.7 | Very high | 90.6 | Very high | 75 Ų | 75 | 100.4 Ų | 100.4 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.9 | -53.9 | 179.9 | -72.7 | 170 | 0 | 0 | 0 | 112.7 | M30 F36 I37 Y38 | M30-L34 HydrophobicContact CB-CD1 4.4Å; M30-L34 HydrophobicContact CE-CD1 4.43Å; M30-L34 HydrophobicContact CE-CG 4.49Å; M30-L34 VanDerWaalsContact O-CB 3.29Å; M30-L34 WeakPolarHBondContact O-CB 3.42Å; M30-L34 VanDerWaalsContact O-CG 3.28Å; M30-L34 WeakPolarHBondContact O-CG 3.3Å; M30-L34 PolarHBondContact O-N 3.38Å; L34-F36 PolarHBondContact O-N 2.87Å; L34-I37 PolarHBondContact O-N 3.23Å; L34-Y38 HydrophobicContact CB-CE2 4.48Å; L34-Y38 WeakPolarHBondContact O-CD2 3.38Å; L34-Y38 PolarHBondContact O-N 2.9Å |
| 35 | P | 92.3 | Very high | 91.3 | Very high | 63 Ų | 63 | 97.2 Ų | 97.2 | 41% | 0.409 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 179.2 | 25.7 | -34.6 | 0 | 0 | 0 | 111.7 | A31 L32 Y38 M39 | A31-P35 WeakPolarHBondContact O-CD 3.3Å; A31-P35 WeakPolarHBondContact O-CG 3.35Å; L32-P35 WeakPolarHBondContact O-CD 3.21Å; L32-P35 WeakPolarHBondContact O-CG 3.14Å; P35-Y38 PolarHBondContact O-N 3.07Å; P35-M39 WeakPolarHBondContact O-CB 3.48Å; P35-M39 WeakPolarHBondContact O-CG 3.48Å; P35-M39 PolarHBondContact O-N 3.04Å |
| 36 | F | 91.9 | Very high | 91.8 | Very high | 125 Ų | 125 | 99.3 Ų | 99.3 | 55% | 0.548 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.5 | -171.9 | -104.3 | 0 | 0 | 0 | 112 | L33 L34 M39 L40 | L33-F36 WeakPolarHBondContact O-CB 3.4Å; L33-F36 PolarHBondContact O-N 2.86Å; L34-F36 PolarHBondContact O-N 2.87Å; F36-M39 PolarHBondContact O-N 3.39Å; F36-L40 HydrophobicContact CD1-CD1 3.86Å; F36-L40 HydrophobicContact CD1-CG 4.3Å; F36-L40 HydrophobicContact CE1-CD1 3.45Å; F36-L40 VanDerWaalsContact CE1-CD1 3.45Å; F36-L40 HydrophobicContact CE1-CD2 4.5Å; F36-L40 HydrophobicContact CE1-CG 4.01Å; F36-L40 HydrophobicContact CZ-CD1 4.06Å; F36-L40 HydrophobicContact CZ-CD2 4.3Å; F36-L40 HydrophobicContact CZ-CG 4.23Å; F36-L40 WeakPolarHBondContact O-CG 3.36Å; F36-L40 PolarHBondContact O-N 2.87Å |
| 37 | I | 93.2 | Very high | 92.3 | Very high | 100 Ų | 100 | 96.9 Ų | 96.9 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 174.7 | -67.5 | 163.4 | 0 | 0 | 0 | 110.6 | L33 L34 L40 F41 | L33-I37 VanDerWaalsContact O-CG1 3.27Å; L33-I37 WeakPolarHBondContact O-CG1 3.41Å; L33-I37 PolarHBondContact O-N 2.84Å; L34-I37 PolarHBondContact O-N 3.23Å; I37-L40 PolarHBondContact O-N 2.74Å; I37-F41 WeakPolarHBondContact O-CB 3.27Å; I37-F41 PolarHBondContact O-N 3.21Å |
| 38 | Y | 93.5 | Very high | 92.9 | Very high | 141 Ų | 141 | 94.8 Ų | 94.8 | 55% | 0.553 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.2 | -43.3 | 175.7 | -78.1 | -68.8 | 0 | 0 | 0 | 111.7 | L34 P35 L40 F41 F42 | L34-Y38 HydrophobicContact CB-CE2 4.48Å; L34-Y38 WeakPolarHBondContact O-CD2 3.38Å; L34-Y38 PolarHBondContact O-N 2.9Å; P35-Y38 PolarHBondContact O-N 3.07Å; Y38-L40 PolarHBondContact O-N 2.82Å; Y38-F41 WeakPolarHBondContact O-CB 3.24Å; Y38-F41 PolarHBondContact O-N 2.86Å; Y38-F42 HydrophobicContact CD1-CE2 4.39Å; Y38-F42 WeakPolarHBondContact O-CD2 3.21Å; Y38-F42 PolarHBondContact O-N 3.35Å |
| 39 | M | 94 | Very high | 93.3 | Very high | 137 Ų | 137 | 94.9 Ų | 94.9 | 68% | 0.675 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 176.4 | -72.5 | -71.3 | -95.8 | 0 | 0 | 111.5 | P35 F36 F43 | P35-M39 WeakPolarHBondContact O-CB 3.48Å; P35-M39 WeakPolarHBondContact O-CG 3.48Å; P35-M39 PolarHBondContact O-N 3.04Å; F36-M39 PolarHBondContact O-N 3.39Å; M39-F43 WeakPolarHBondContact O-CB 3.43Å; M39-F43 PolarHBondContact O-N 3.26Å |
| 40 | L | 95.3 | Very high | 93.7 | Very high | 89 Ų | 89 | 99 Ų | 99 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 174.1 | -72 | 179.9 | 0 | 0 | 0 | 112.3 | F36 I37 Y38 S44 | F36-L40 HydrophobicContact CD1-CD1 3.86Å; F36-L40 HydrophobicContact CD1-CG 4.3Å; F36-L40 HydrophobicContact CE1-CD1 3.45Å; F36-L40 VanDerWaalsContact CE1-CD1 3.45Å; F36-L40 HydrophobicContact CE1-CD2 4.5Å; F36-L40 HydrophobicContact CE1-CG 4.01Å; F36-L40 HydrophobicContact CZ-CD1 4.06Å; F36-L40 HydrophobicContact CZ-CD2 4.3Å; F36-L40 HydrophobicContact CZ-CG 4.23Å; F36-L40 WeakPolarHBondContact O-CG 3.36Å; F36-L40 PolarHBondContact O-N 2.87Å; I37-L40 PolarHBondContact O-N 2.74Å; Y38-L40 PolarHBondContact O-N 2.82Å; L40-S44 VanDerWaalsContact O-CB 3.27Å; L40-S44 WeakPolarHBondContact O-CB 3.45Å; L40-S44 PolarHBondContact O-N 2.87Å |
| 41 | F | 96.3 | Very high | 94 | Very high | 125 Ų | 125 | 101.7 Ų | 101.7 | 55% | 0.548 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -51.9 | 175.6 | 176.8 | -98.2 | 0 | 0 | 0 | 111.5 | I37 Y38 F43 S44 V45 | I37-F41 WeakPolarHBondContact O-CB 3.27Å; I37-F41 PolarHBondContact O-N 3.21Å; Y38-F41 WeakPolarHBondContact O-CB 3.24Å; Y38-F41 PolarHBondContact O-N 2.86Å; F41-F43 VanDerWaalsContact C-N 3.3Å; F41-F43 PolarHBondContact O-N 2.85Å; F41-S44 WeakPolarHBondContact O-CB 3.48Å; F41-S44 PolarHBondContact O-N 2.86Å; F41-V45 HydrophobicContact CD1-CG2 4.28Å; F41-V45 HydrophobicContact CD2-CG2 4.48Å; F41-V45 HydrophobicContact CE1-CG2 3.84Å; F41-V45 HydrophobicContact CE2-CG2 4.07Å; F41-V45 HydrophobicContact CZ-CG2 3.73Å; F41-V45 WeakPolarHBondContact O-CG2 3.47Å; F41-V45 PolarHBondContact O-N 3.2Å |
| 42 | F | 96.2 | Very high | 94.2 | Very high | 131 Ų | 131 | 101.9 Ų | 101.9 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.4 | -38.3 | 177.8 | -74.9 | -63.7 | 0 | 0 | 0 | 112 | Y38 F46 | Y38-F42 HydrophobicContact CD1-CE2 4.39Å; Y38-F42 WeakPolarHBondContact O-CD2 3.21Å; Y38-F42 PolarHBondContact O-N 3.35Å; F42-F46 VanDerWaalsContact O-CB 3.22Å; F42-F46 WeakPolarHBondContact O-CB 3.41Å; F42-F46 PolarHBondContact O-N 2.91Å |
| 43 | F | 95.9 | Very high | 94.4 | Very high | 120 Ų | 120 | 102.1 Ų | 102.1 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -44 | 174.3 | -174.3 | -106.7 | 0 | 0 | 0 | 111.5 | M39 F41 F46 L47 | M39-F43 WeakPolarHBondContact O-CB 3.43Å; M39-F43 PolarHBondContact O-N 3.26Å; F41-F43 VanDerWaalsContact C-N 3.3Å; F41-F43 PolarHBondContact O-N 2.85Å; F43-F46 PolarHBondContact O-N 2.88Å; F43-L47 HydrophobicContact CD1-CD1 3.87Å; F43-L47 HydrophobicContact CD1-CG 4.23Å; F43-L47 HydrophobicContact CE1-CD1 3.41Å; F43-L47 VanDerWaalsContact CE1-CD1 3.41Å; F43-L47 HydrophobicContact CE1-CD2 4.43Å; F43-L47 HydrophobicContact CE1-CG 3.95Å; F43-L47 HydrophobicContact CZ-CD1 3.94Å; F43-L47 HydrophobicContact CZ-CD2 4.12Å; F43-L47 HydrophobicContact CZ-CG 4.11Å; F43-L47 WeakPolarHBondContact O-CB 3.23Å; F43-L47 WeakPolarHBondContact O-CG 3.48Å; F43-L47 PolarHBondContact O-N 2.99Å |
| 44 | S | 95.3 | Very high | 94.2 | Very high | 65 Ų | 65 | 104 Ų | 104 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 112 | L40 F41 F46 L47 V48 | L40-S44 VanDerWaalsContact O-CB 3.27Å; L40-S44 WeakPolarHBondContact O-CB 3.45Å; L40-S44 PolarHBondContact O-N 2.87Å; F41-S44 WeakPolarHBondContact O-CB 3.48Å; F41-S44 PolarHBondContact O-N 2.86Å; S44-F46 VanDerWaalsContact C-N 3.3Å; S44-F46 PolarHBondContact O-N 3.29Å; S44-L47 PolarHBondContact O-N 2.86Å; S44-V48 WeakPolarHBondContact O-CG2 3.5Å; S44-V48 PolarHBondContact O-N 2.48Å |
| 45 | V | 96.6 | Very high | 93.9 | Very high | 70 Ų | 70 | 102.8 Ų | 102.8 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 175.5 | 172 | 0 | 0 | 0 | 0 | 110.9 | F41 V48 M49 | F41-V45 HydrophobicContact CD1-CG2 4.28Å; F41-V45 HydrophobicContact CD2-CG2 4.48Å; F41-V45 HydrophobicContact CE1-CG2 3.84Å; F41-V45 HydrophobicContact CE2-CG2 4.07Å; F41-V45 HydrophobicContact CZ-CG2 3.73Å; F41-V45 WeakPolarHBondContact O-CG2 3.47Å; F41-V45 PolarHBondContact O-N 3.2Å; V45-V48 PolarHBondContact O-N 2.82Å; V45-M49 WeakPolarHBondContact O-CB 3.22Å; V45-M49 PolarHBondContact O-N 3.35Å |
| 46 | F | 96.5 | Very high | 93.4 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 40% | 0.404 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 176.5 | 178.5 | -96.9 | 0 | 0 | 0 | 112.4 | F42 F43 S44 M49 R50 | F42-F46 VanDerWaalsContact O-CB 3.22Å; F42-F46 WeakPolarHBondContact O-CB 3.41Å; F42-F46 PolarHBondContact O-N 2.91Å; F43-F46 PolarHBondContact O-N 2.88Å; S44-F46 VanDerWaalsContact C-N 3.3Å; S44-F46 PolarHBondContact O-N 3.29Å; F46-M49 HydrophobicContact CD2-CE 4.05Å; F46-M49 HydrophobicContact CE2-CE 4.31Å; F46-M49 PolarHBondContact O-N 2.93Å; F46-R50 HydrophobicContact CD1-CG 4.16Å; F46-R50 HydrophobicContact CE1-CG 3.88Å; F46-R50 HydrophobicContact CE2-CG 4.45Å; F46-R50 HydrophobicContact CZ-CG 4.07Å; F46-R50 WeakPolarHBondContact O-CB 3.31Å; F46-R50 VanDerWaalsContact O-CG 3.22Å; F46-R50 WeakPolarHBondContact O-CG 3.33Å; F46-R50 PolarHBondContact O-N 2.79Å |
| 47 | L | 96.9 | Very high | 92.8 | Very high | 76 Ų | 76 | 100.3 Ų | 100.3 | 40% | 0.398 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 175.1 | -74 | -175.4 | 0 | 0 | 0 | 111.5 | F43 S44 M49 R50 I51 | F43-L47 HydrophobicContact CD1-CD1 3.87Å; F43-L47 HydrophobicContact CD1-CG 4.23Å; F43-L47 HydrophobicContact CE1-CD1 3.41Å; F43-L47 VanDerWaalsContact CE1-CD1 3.41Å; F43-L47 HydrophobicContact CE1-CD2 4.43Å; F43-L47 HydrophobicContact CE1-CG 3.95Å; F43-L47 HydrophobicContact CZ-CD1 3.94Å; F43-L47 HydrophobicContact CZ-CD2 4.12Å; F43-L47 HydrophobicContact CZ-CG 4.11Å; F43-L47 WeakPolarHBondContact O-CB 3.23Å; F43-L47 WeakPolarHBondContact O-CG 3.48Å; F43-L47 PolarHBondContact O-N 2.99Å; S44-L47 PolarHBondContact O-N 2.86Å; L47-M49 PolarHBondContact O-N 3.04Å; L47-R50 PolarHBondContact O-N 2.88Å; L47-I51 VanDerWaalsContact O-CG1 3.3Å; L47-I51 WeakPolarHBondContact O-CG1 3.33Å; L47-I51 PolarHBondContact O-N 3.39Å |
| 48 | V | 96.9 | Very high | 92 | Very high | 82 Ų | 82 | 98.2 Ų | 98.2 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 111 | S44 V45 R50 I51 T52 | S44-V48 WeakPolarHBondContact O-CG2 3.5Å; S44-V48 PolarHBondContact O-N 2.48Å; V45-V48 PolarHBondContact O-N 2.82Å; V48-R50 VanDerWaalsContact C-N 3.33Å; V48-R50 PolarHBondContact O-N 2.89Å; V48-I51 PolarHBondContact O-N 2.89Å; V48-T52 HydrophobicContact CG1-CG2 4.33Å; V48-T52 WeakPolarHBondContact O-CB 3.39Å; V48-T52 WeakPolarHBondContact O-CG2 3.38Å; V48-T52 PolarHBondContact O-N 3.3Å; V48-T52 PolarHBondContact O-OG1 3.4Å |
| 49 | M | 95.7 | Very high | 91 | Very high | 104 Ų | 104 | 96 Ų | 96 | 51% | 0.512 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 175.2 | -173.2 | -170.2 | 76.4 | 0 | 0 | 111.5 | V45 F46 L47 T52 Y53 | V45-M49 WeakPolarHBondContact O-CB 3.22Å; V45-M49 PolarHBondContact O-N 3.35Å; F46-M49 HydrophobicContact CD2-CE 4.05Å; F46-M49 HydrophobicContact CE2-CE 4.31Å; F46-M49 PolarHBondContact O-N 2.93Å; L47-M49 PolarHBondContact O-N 3.04Å; M49-T52 WeakPolarHBondContact CA-OG1 3.37Å; M49-T52 PolarHBondContact O-OG1 2.83Å; M49-Y53 WeakPolarHBondContact O-CB 3.33Å; M49-Y53 PolarHBondContact O-N 3.06Å |
| 50 | R | 95.8 | Very high | 90 | Very high | 129 Ų | 129 | 92.6 Ų | 92.6 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 176.8 | -75.5 | -77.5 | -173.6 | 164.5 | -0.1 | 111.9 | F46 L47 V48 K54 | F46-R50 HydrophobicContact CD1-CG 4.16Å; F46-R50 HydrophobicContact CE1-CG 3.88Å; F46-R50 HydrophobicContact CE2-CG 4.45Å; F46-R50 HydrophobicContact CZ-CG 4.07Å; F46-R50 WeakPolarHBondContact O-CB 3.31Å; F46-R50 VanDerWaalsContact O-CG 3.22Å; F46-R50 WeakPolarHBondContact O-CG 3.33Å; F46-R50 PolarHBondContact O-N 2.79Å; L47-R50 PolarHBondContact O-N 2.88Å; V48-R50 VanDerWaalsContact C-N 3.33Å; V48-R50 PolarHBondContact O-N 2.89Å; R50-K54 WeakPolarHBondContact O-CB 3.14Å; R50-K54 WeakPolarHBondContact O-CG 3.27Å; R50-K54 PolarHBondContact O-N 2.99Å |
| 51 | I | 94.2 | Very high | 88.8 | Confident | 122 Ų | 122 | 93.2 Ų | 93.2 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.7 | -49.9 | 179.5 | -67.4 | 164.8 | 0 | 0 | 0 | 110.4 | L47 V48 Y53 K54 A55 | L47-I51 VanDerWaalsContact O-CG1 3.3Å; L47-I51 WeakPolarHBondContact O-CG1 3.33Å; L47-I51 PolarHBondContact O-N 3.39Å; V48-I51 PolarHBondContact O-N 2.89Å; I51-Y53 PolarHBondContact O-N 3.06Å; I51-K54 PolarHBondContact O-N 3.36Å; I51-A55 WeakPolarHBondContact O-CB 3.41Å; I51-A55 PolarHBondContact O-N 3.33Å |
| 52 | T | 92 | Very high | 87.4 | Confident | 72 Ų | 72 | 90 Ų | 90 | 44% | 0.442 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 178.4 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | V48 M49 K54 A55 S56 | V48-T52 HydrophobicContact CG1-CG2 4.33Å; V48-T52 WeakPolarHBondContact O-CB 3.39Å; V48-T52 WeakPolarHBondContact O-CG2 3.38Å; V48-T52 PolarHBondContact O-N 3.3Å; V48-T52 PolarHBondContact O-OG1 3.4Å; M49-T52 WeakPolarHBondContact CA-OG1 3.37Å; M49-T52 PolarHBondContact O-OG1 2.83Å; T52-K54 VanDerWaalsContact C-N 3.34Å; T52-K54 PolarHBondContact O-N 3.25Å; T52-A55 PolarHBondContact O-N 3.49Å; T52-A55 VanDerWaalsContact O-N 3.16Å; T52-S56 PolarHBondContact O-N 3.41Å; T52-S56 PolarHBondContact O-OG 2.86Å; T52-S56 VanDerWaalsContact O-OG 3.11Å |
| 53 | Y | 91.6 | Very high | 86 | Confident | 134 Ų | 134 | 87.2 Ų | 87.2 | 53% | 0.525 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 176.3 | 178.9 | -116.1 | 0 | 0 | 0 | 112.8 | M49 I51 S56 Q57 | M49-Y53 WeakPolarHBondContact O-CB 3.33Å; M49-Y53 PolarHBondContact O-N 3.06Å; I51-Y53 PolarHBondContact O-N 3.06Å; Y53-S56 PolarHBondContact O-N 2.94Å; Y53-Q57 HydrophobicContact CE2-CG 4.34Å; Y53-Q57 PolarHBondContact O-N 3.46Å; Y53-Q57 PolarHBondContact OH-NE2 3.48Å; Y53-Q57 VanDerWaalsContact OH-NE2 3.09Å |
| 54 | K | 87.1 | Confident | 84.6 | Confident | 132 Ų | 132 | 83.6 Ų | 83.6 | 57% | 0.574 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.8 | -38.9 | 175.3 | -73.9 | -70.3 | -175.1 | -178 | 0 | 112.1 | R50 I51 T52 A58 | R50-K54 WeakPolarHBondContact O-CB 3.14Å; R50-K54 WeakPolarHBondContact O-CG 3.27Å; R50-K54 PolarHBondContact O-N 2.99Å; I51-K54 PolarHBondContact O-N 3.36Å; T52-K54 VanDerWaalsContact C-N 3.34Å; T52-K54 PolarHBondContact O-N 3.25Å; K54-A58 WeakPolarHBondContact O-CB 3.29Å; K54-A58 PolarHBondContact O-N 3.22Å; K54-A58 VanDerWaalsContact O-N 3.07Å |
| 55 | A | 85 | Confident | 83.3 | Confident | 49 Ų | 49 | 85.1 Ų | 85.1 | 41% | 0.405 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I51 T52 Q57 A58 I59 | I51-A55 WeakPolarHBondContact O-CB 3.41Å; I51-A55 PolarHBondContact O-N 3.33Å; T52-A55 PolarHBondContact O-N 3.49Å; T52-A55 VanDerWaalsContact O-N 3.16Å; A55-Q57 PolarHBondContact O-N 2.92Å; A55-A58 PolarHBondContact O-N 2.93Å; A55-I59 WeakPolarHBondContact O-CG1 3.46Å; A55-I59 PolarHBondContact O-N 2.91Å |
| 56 | S | 82.3 | Confident | 82 | Confident | 61 Ų | 61 | 89.1 Ų | 89.1 | 43% | 0.427 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58 | -48.5 | 175.4 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | T52 Y53 A58 I59 D60 | T52-S56 PolarHBondContact O-N 3.41Å; T52-S56 PolarHBondContact O-OG 2.86Å; T52-S56 VanDerWaalsContact O-OG 3.11Å; Y53-S56 PolarHBondContact O-N 2.94Å; S56-A58 VanDerWaalsContact C-N 3.3Å; S56-A58 PolarHBondContact O-N 3.15Å; S56-I59 PolarHBondContact O-N 3.33Å; S56-I59 VanDerWaalsContact O-N 3.15Å; S56-D60 VanDerWaalsContact O-CG 3.32Å; S56-D60 PolarHBondContact O-N 2.96Å |
| 57 | Q | 79.1 | Confident | 80.9 | Confident | 75 Ų | 75 | 88.4 Ų | 88.4 | 35% | 0.35 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 176.6 | -80.3 | -166.6 | 60.3 | 0 | 0 | 113.2 | Y53 A55 I59 T61 | Y53-Q57 HydrophobicContact CE2-CG 4.34Å; Y53-Q57 PolarHBondContact O-N 3.46Å; Y53-Q57 PolarHBondContact OH-NE2 3.48Å; Y53-Q57 VanDerWaalsContact OH-NE2 3.09Å; A55-Q57 PolarHBondContact O-N 2.92Å; Q57-I59 VanDerWaalsContact C-N 3.34Å; Q57-T61 WeakPolarHBondContact O-CB 3.41Å; Q57-T61 PolarHBondContact O-N 2.85Å; Q57-T61 PolarHBondContact O-OG1 2.82Å |
| 58 | A | 75.7 | Confident | 79.9 | Confident | 57 Ų | 57 | 89.7 Ų | 89.7 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K54 A55 S56 A62 | K54-A58 WeakPolarHBondContact O-CB 3.29Å; K54-A58 PolarHBondContact O-N 3.22Å; K54-A58 VanDerWaalsContact O-N 3.07Å; A55-A58 PolarHBondContact O-N 2.93Å; S56-A58 VanDerWaalsContact C-N 3.3Å; S56-A58 PolarHBondContact O-N 3.15Å; A58-A62 WeakPolarHBondContact O-CB 3.43Å; A58-A62 PolarHBondContact O-N 2.83Å |
| 59 | I | 72.2 | Confident | 79.4 | Confident | 94 Ų | 94 | 85.9 Ų | 85.9 | 48% | 0.482 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.2 | -49.1 | 176.7 | -67.1 | 165.2 | 0 | 0 | 0 | 110.6 | A55 S56 Q57 T61 A62 V63 I64 | A55-I59 WeakPolarHBondContact O-CG1 3.46Å; A55-I59 PolarHBondContact O-N 2.91Å; S56-I59 PolarHBondContact O-N 3.33Å; S56-I59 VanDerWaalsContact O-N 3.15Å; Q57-I59 VanDerWaalsContact C-N 3.34Å; I59-T61 VanDerWaalsContact C-N 3.32Å; I59-T61 PolarHBondContact O-N 2.85Å; I59-A62 PolarHBondContact O-N 3.34Å; I59-V63 HydrophobicContact CG2-CB 4.49Å; I59-V63 WeakPolarHBondContact O-CA 3.48Å; I59-V63 VanDerWaalsContact O-CB 3.27Å; I59-V63 WeakPolarHBondContact O-CB 3.22Å; I59-V63 PolarHBondContact O-N 2.87Å; I59-I64 HydrophobicContact CG2-CD1 4.32Å |
| 60 | D | 73 | Confident | 79.1 | Confident | 66 Ų | 66 | 84.6 Ų | 84.6 | 35% | 0.353 | 46% | 0.462 | S | S | . | . | I | π-helix | trans | -58.1 | -46 | -178.7 | -70.7 | -22.4 | 0 | 0 | 0 | 111.1 | S56 I64 F65 | S56-D60 VanDerWaalsContact O-CG 3.32Å; S56-D60 PolarHBondContact O-N 2.96Å; D60-I64 PolarHBondContact O-N 2.86Å; D60-F65 HydrophobicContact CB-CD2 4.15Å; D60-F65 HydrophobicContact CB-CE2 4.44Å; D60-F65 PolarHBondContact O-N 3.11Å |
| 61 | T | 70.4 | Confident | 78.9 | Confident | 101 Ų | 101 | 79.3 Ų | 79.3 | 62% | 0.62 | 45% | 0.445 | S | S | * | . | I | π-helix | trans | -72 | -41.3 | -179.4 | -50.2 | 0 | 0 | 0 | 0 | 112.5 | Q57 I59 | Q57-T61 WeakPolarHBondContact O-CB 3.41Å; Q57-T61 PolarHBondContact O-N 2.85Å; Q57-T61 PolarHBondContact O-OG1 2.82Å; I59-T61 VanDerWaalsContact C-N 3.32Å; I59-T61 PolarHBondContact O-N 2.85Å |
| 62 | A | 68.2 | Low | 78.9 | Confident | 59 Ų | 59 | 76 Ų | 76 | 49% | 0.488 | 43% | 0.433 | S | S | . | . | I | π-helix | trans | -83.1 | -28 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A58 I59 K67 | A58-A62 WeakPolarHBondContact O-CB 3.43Å; A58-A62 PolarHBondContact O-N 2.83Å; I59-A62 PolarHBondContact O-N 3.34Å; A62-K67 WeakPolarHBondContact O-CE 3.47Å; A62-K67 PolarHBondContact O-NZ 2.96Å |
| 63 | V | 66.5 | Low | 79.1 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | I | π-helix | trans | -119.4 | -36.6 | -165.8 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | I59 | I59-V63 HydrophobicContact CG2-CB 4.49Å; I59-V63 WeakPolarHBondContact O-CA 3.48Å; I59-V63 VanDerWaalsContact O-CB 3.27Å; I59-V63 WeakPolarHBondContact O-CB 3.22Å; I59-V63 PolarHBondContact O-N 2.87Å |
| 64 | I | 66.6 | Low | 79.3 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | I | π-helix | trans | -104.4 | -51 | -163.3 | -50.6 | -171.3 | 0 | 0 | 0 | 111.9 | I59 D60 A106 | I59-I64 HydrophobicContact CG2-CD1 4.32Å; D60-I64 PolarHBondContact O-N 2.86Å; I64-A106 HydrophobicContact CG2-CB 4.03Å; I64-A106 VanDerWaalsContact O-CB 3.27Å; I64-A106 WeakPolarHBondContact O-CB 3.48Å; I64-A106 PolarHBondContact O-N 3.11Å |
| 65 | F | 67.6 | Low | 79.7 | Confident | 96 Ų | 96 | 67.9 Ų | 67.9 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -120.4 | 157.8 | -168.5 | -56.6 | -75.5 | 0 | 0 | 0 | 112.8 | D60 K67 C107 | D60-F65 HydrophobicContact CB-CD2 4.15Å; D60-F65 HydrophobicContact CB-CE2 4.44Å; D60-F65 PolarHBondContact O-N 3.11Å; F65-K67 VanDerWaalsContact C-N 3.34Å; F65-K67 PolarHBondContact O-N 3.23Å; F65-C107 HydrophobicContact CD1-CB 4.06Å; F65-C107 HydrophobicContact CE1-CB 3.56Å |
| 66 | N | 68.6 | Low | 80.2 | Confident | 155 Ų | 155 | 69.5 Ų | 69.5 | 83% | 0.829 | 40% | 0.404 | S | S | * | . | trans | 66 | 31.3 | 165.9 | -117.4 | -0.7 | 0 | 0 | 0 | 114.3 | D105 | N66-D105 PolarHBondContact N-OD2 2.79Š| ||
| 67 | K | 73.9 | Confident | 80.7 | Confident | 77 Ų | 77 | 67.6 Ų | 67.6 | 34% | 0.335 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 123.4 | 170.6 | -77.6 | 176.8 | -176.8 | -69.3 | 0 | 109.4 | A62 F65 G104 Q110 | A62-K67 WeakPolarHBondContact O-CE 3.47Å; A62-K67 PolarHBondContact O-NZ 2.96Å; F65-K67 VanDerWaalsContact C-N 3.34Å; F65-K67 PolarHBondContact O-N 3.23Å; K67-G104 VanDerWaalsContact CD-O 3.31Å; K67-G104 WeakPolarHBondContact CD-O 3.32Å; K67-Q110 PolarHBondContact O-NE2 2.68Å |
| 68 | P | 76.3 | Confident | 81.3 | Confident | 102 Ų | 102 | 66.4 Ų | 66.4 | 66% | 0.662 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -64 | 157.5 | 174.8 | 28.4 | -34.2 | 0 | 0 | 0 | 110 | S70 | P68-S70 PolarHBondContact O-N 2.83Š|
| 69 | I | 85.3 | Confident | 82 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.015 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 121.4 | 170.7 | -65.1 | 170.3 | 0 | 0 | 0 | 107.5 | L101 D102 Q110 R112 F134 L136 Y188 | I69-L101 HydrophobicContact CG2-CB 4.06Å; I69-L101 HydrophobicContact CG2-CD2 4.17Å; I69-D102 WeakPolarHBondContact CA-O 3.42Å; I69-Q110 HydrophobicContact CD1-CB 4.04Å; I69-Q110 HydrophobicContact CG1-CB 4.41Å; I69-R112 HydrophobicContact CD1-CG 4.38Å; I69-F134 HydrophobicContact CD1-CE2 4.42Å; I69-L136 HydrophobicContact CD1-CD1 3.94Å; I69-L136 HydrophobicContact CG1-CD1 4.1Å; I69-L136 HydrophobicContact CG2-CD1 4.02Å; I69-Y188 WeakPolarHBondContact CB-OH 3.38Å; I69-Y188 WeakPolarHBondContact O-CE1 3.35Å; I69-Y188 PolarHBondContact O-OH 2.89Å |
| 70 | S | 89.5 | Confident | 82.7 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 53% | 0.531 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 145.9 | 167.3 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | P68 L101 D102 | P68-S70 PolarHBondContact O-N 2.83Å; S70-L101 WeakPolarHBondContact O-CA 3.37Å; S70-D102 PolarHBondContact N-O 2.88Å; S70-D102 PolarHBondContact O-N 3.47Å |
| 71 | S | 91.8 | Very high | 83.2 | Confident | 19 Ų | 19 | 64.5 Ų | 64.5 | 13% | 0.133 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 140.7 | -171.9 | 61.5 | 0 | 0 | 0 | 0 | 111 | R100 Y188 W190 | S71-R100 CarbonylContact C-O 3.47Å; S71-R100 VanDerWaalsContact CA-O 3.28Å; S71-R100 WeakPolarHBondContact CA-O 3.31Å; S71-Y188 WeakPolarHBondContact OG-CD1 3.28Å; S71-Y188 WeakPolarHBondContact OG-CE1 3.39Å; S71-Y188 VanDerWaalsContact OG-CG 3.31Å; S71-W190 PolarHBondContact O-NE1 2.91Å; S71-W190 VanDerWaalsContact O-NE1 3.16Å; S71-W190 WeakPolarHBondContact OG-CZ2 3.37Å |
| 72 | S | 94.5 | Very high | 83.5 | Confident | 53 Ų | 53 | 64 Ų | 64 | 37% | 0.371 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.4 | 173.3 | 63.8 | 0 | 0 | 0 | 0 | 109.1 | R100 | S72-R100 PolarHBondContact N-O 3.04Å; S72-R100 PolarHBondContact O-N 2.97Å |
| 73 | V | 95.6 | Very high | 83.5 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 14% | 0.139 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 143 | 177.5 | 62.3 | 0 | 0 | 0 | 0 | 109.4 | L97 L98 L99 I176 W190 V192 | V73-L97 HydrophobicContact CG2-CB 4.32Å; V73-L97 HydrophobicContact CG2-CD2 4.27Å; V73-L98 CarbonylContact C-O 3.54Å; V73-L98 WeakPolarHBondContact CA-O 3.12Å; V73-L99 HydrophobicContact CB-CD2 3.75Å; V73-L99 HydrophobicContact CG2-CD2 3.61Å; V73-I176 HydrophobicContact CG1-CD1 4.1Å; V73-I176 HydrophobicContact CG2-CD1 3.86Å; V73-I176 HydrophobicContact CG2-CG2 4.41Å; V73-W190 HydrophobicContact CB-CD2 4.11Å; V73-W190 HydrophobicContact CB-CE3 4.11Å; V73-W190 HydrophobicContact CB-CG 4.47Å; V73-W190 HydrophobicContact CB-CZ3 4.43Å; V73-W190 HydrophobicContact CG1-CB 3.52Å; V73-W190 HydrophobicContact CG1-CD2 3.53Å; V73-W190 HydrophobicContact CG1-CE3 3.76Å; V73-W190 HydrophobicContact CG1-CG 3.46Å; V73-W190 VanDerWaalsContact CG1-CG 3.46Å; V73-V192 HydrophobicContact CG1-CG2 3.62Å |
| 74 | E | 95.7 | Very high | 83.4 | Confident | 122 Ų | 122 | 61.5 Ų | 61.5 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.6 | 171.7 | -178.2 | -178.2 | 167.4 | 0 | 0 | 108.2 | V76 L97 L98 | E74-V76 HydrophobicContact CG-CG2 4.47Å; E74-L97 WeakPolarHBondContact O-CA 3.35Å; E74-L98 HydrophobicContact CB-CB 4.32Å; E74-L98 PolarHBondContact N-O 2.83Å; E74-L98 PolarHBondContact O-N 2.84Å |
| 75 | L | 95.5 | Very high | 83.1 | Confident | 22 Ų | 22 | 67 Ų | 67 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 108.5 | 172.5 | 178.9 | 62.9 | 0 | 0 | 0 | 108.3 | V78 F95 L97 L174 V192 | L75-V78 HydrophobicContact CD1-CG2 3.95Å; L75-V78 HydrophobicContact CD2-CG2 3.78Å; L75-V78 HydrophobicContact CG-CG2 4.1Å; L75-F95 HydrophobicContact CD1-CB 4.36Å; L75-F95 HydrophobicContact CD1-CD1 4.25Å; L75-L97 HydrophobicContact CB-CD2 4.47Å; L75-L97 HydrophobicContact CD1-CD2 3.6Å; L75-L174 HydrophobicContact CD2-CD1 3.84Å; L75-V192 HydrophobicContact CB-CG1 3.91Å |
| 76 | V | 95.1 | Very high | 82.6 | Confident | 83 Ų | 83 | 64.4 Ų | 64.4 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -30.2 | -175.6 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | E74 D96 L98 | E74-V76 HydrophobicContact CG-CG2 4.47Å; V76-D96 HydrophobicContact CB-CB 4.29Å; V76-D96 PolarHBondContact N-O 2.65Å; V76-L98 HydrophobicContact CG2-CB 4.08Å; V76-L98 HydrophobicContact CG2-CD1 3.43Å; V76-L98 VanDerWaalsContact CG2-CD1 3.43Å; V76-L98 HydrophobicContact CG2-CG 3.51Å |
| 77 | G | 92.8 | Very high | 81.9 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 22% | 0.216 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | 149.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | F95 D96 | G77-F95 WeakPolarHBondContact O-CA 3.34Å; G77-D96 PolarHBondContact N-O 3.09Å; G77-D96 PolarHBondContact O-N 3.02Å |
| 78 | V | 92.7 | Very high | 81 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 30% | 0.303 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.6 | 174.9 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | L75 L81 F95 L194 | L75-V78 HydrophobicContact CD1-CG2 3.95Å; L75-V78 HydrophobicContact CD2-CG2 3.78Å; L75-V78 HydrophobicContact CG-CG2 4.1Å; V78-L81 HydrophobicContact CG1-CB 3.98Å; V78-L81 HydrophobicContact CG1-CD2 4.13Å; V78-L81 HydrophobicContact CG1-CG 4.48Å; V78-F95 HydrophobicContact CB-CD1 4.43Å; V78-F95 HydrophobicContact CG1-CD1 3.96Å; V78-F95 HydrophobicContact CG1-CE1 3.67Å; V78-F95 HydrophobicContact CG1-CZ 4.49Å; V78-F95 HydrophobicContact CG2-CD1 3.94Å; V78-F95 HydrophobicContact CG2-CE1 4.21Å; V78-L194 HydrophobicContact CG2-CD1 4.19Å |
| 79 | R | 90.4 | Very high | 80.1 | Confident | 128 Ų | 128 | 62.7 Ų | 62.7 | 48% | 0.483 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 152.8 | 176.2 | -66.1 | -176.1 | -68.1 | -94 | -9.6 | 110.3 | L81 P93 A94 D96 | R79-L81 PolarHBondContact O-N 2.9Å; R79-P93 CarbonylContact O-C 3.48Å; R79-P93 VanDerWaalsContact O-CA 3.31Å; R79-P93 WeakPolarHBondContact O-CA 3.27Å; R79-A94 HydrophobicContact CB-CB 4.48Å; R79-A94 PolarHBondContact N-O 2.8Å; R79-A94 PolarHBondContact O-N 2.93Å; R79-D96 IonicContact CZ-OD1 2.85Å; R79-D96 IonicContact CZ-OD2 3.76Å; R79-D96 IonicContact NH1-OD1 3.36Å; R79-D96 IonicContact NH1-OD2 3.86Å; R79-D96 PolarHBondContact NH1-OD2 2.87Å; R79-D96 VanDerWaalsContact NH2-CG 3.28Å; R79-D96 IonicContact NH2-OD1 2.72Å; R79-D96 PolarHBondContact NH2-OD1 2.85Å; R79-D96 IonicContact NH2-OD2 2.82Å; R79-D96 PolarHBondContact NH2-OD2 2.9Å |
| 80 | G | 86.6 | Confident | 79 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | trans | 64.9 | 25 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D82 A91 P93 | G80-D82 PolarHBondContact O-N 2.81Å; G80-D82 VanDerWaalsContact O-N 3.08Å; G80-A91 VanDerWaalsContact CA-CB 3.48Å; G80-A91 CarbonylContact O-C 3.54Å; G80-P93 WeakPolarHBondContact O-CA 3.2Å | ||
| 81 | L | 83.7 | Confident | 78.1 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | trans | -86 | 58.2 | 175.5 | -158.1 | 76.5 | 0 | 0 | 0 | 109.7 | V78 R79 P93 F95 L126 V155 F160 M163 L194 | V78-L81 HydrophobicContact CG1-CB 3.98Å; V78-L81 HydrophobicContact CG1-CD2 4.13Å; V78-L81 HydrophobicContact CG1-CG 4.48Å; R79-L81 PolarHBondContact O-N 2.9Å; L81-P93 HydrophobicContact CD1-CB 4.12Å; L81-F95 HydrophobicContact CD1-CE1 4.45Å; L81-F95 HydrophobicContact CD1-CZ 3.98Å; L81-L126 HydrophobicContact CD1-CD1 4.43Å; L81-V155 HydrophobicContact CD1-CG2 4.02Å; L81-F160 VanDerWaalsContact O-CE2 3.22Å; L81-F160 WeakPolarHBondContact O-CE2 3.47Å; L81-M163 HydrophobicContact CD1-CE 3.64Å; L81-M163 HydrophobicContact CD1-SD 4.09Å; L81-M163 HydrophobicContact CD2-CE 3.55Å; L81-M163 HydrophobicContact CD2-SD 3.72Å; L81-M163 HydrophobicContact CG-CE 3.47Å; L81-M163 VanDerWaalsContact CG-CE 3.47Å; L81-M163 HydrophobicContact CG-SD 4.18Å; L81-L194 HydrophobicContact CD2-CD1 4.16Å; L81-L194 HydrophobicContact CD2-CD2 4.05Å | ||
| 82 | D | 76.7 | Confident | 77.7 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | trans | -111 | 152.4 | -179.1 | -68.7 | -60.4 | 0 | 0 | 0 | 110.1 | G80 S84 A91 | G80-D82 PolarHBondContact O-N 2.81Å; G80-D82 VanDerWaalsContact O-N 3.08Å; D82-S84 PolarHBondContact O-N 3.39Å; D82-A91 HydrophobicContact CB-CB 4.37Å | ||
| 83 | P | 67.4 | Low | 77.6 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 21% | 0.214 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -64 | 141.3 | 175.8 | 24.6 | -27.2 | 0 | 0 | 0 | 109.7 | L85 F160 | P83-L85 HydrophobicContact CG-CG 4.43Å; P83-L85 PolarHBondContact O-N 2.76Å; P83-F160 HydrophobicContact CB-CB 4.49Å; P83-F160 HydrophobicContact CB-CD1 3.56Å; P83-F160 HydrophobicContact CB-CE1 3.9Å; P83-F160 HydrophobicContact CB-CG 3.92Å; P83-F160 HydrophobicContact CG-CD1 3.91Å; P83-F160 HydrophobicContact CG-CE1 3.67Å; P83-F160 HydrophobicContact CG-CG 4.49Å; P83-F160 HydrophobicContact CG-CZ 4.11Å |
| 84 | S | 64.5 | Low | 77.5 | Confident | 45 Ų | 45 | 60.2 Ų | 60.2 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | trans | -68.5 | 82.4 | 171.3 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | D82 A86 | D82-S84 PolarHBondContact O-N 3.39Å; S84-A86 PolarHBondContact O-N 2.97Å | ||
| 85 | L | 61.6 | Low | 77.5 | Confident | 160 Ų | 160 | 54.4 Ų | 54.4 | 84% | 0.838 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -63.3 | -25.1 | 178.6 | -72.4 | 163.4 | 0 | 0 | 0 | 112.7 | P83 | P83-L85 HydrophobicContact CG-CG 4.43Å; P83-L85 PolarHBondContact O-N 2.76Å |
| 86 | A | 56.6 | Low | 77.5 | Confident | 42 Ų | 42 | 55.3 Ų | 55.3 | 35% | 0.347 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -156.3 | 150.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | S84 G88 A89 | S84-A86 PolarHBondContact O-N 2.97Å; A86-G88 PolarHBondContact O-N 3.01Å; A86-G88 VanDerWaalsContact O-N 3.07Å; A86-A89 HydrophobicContact CB-CB 3.96Å; A86-A89 PolarHBondContact O-N 3.23Å |
| 87 | P | 53.6 | Low | 77.6 | Confident | 137 Ų | 137 | 51.5 Ų | 51.5 | 89% | 0.89 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 115.1 | 171.5 | -20 | 30.6 | 0 | 0 | 0 | 110.2 | ||
| 88 | G | 55.6 | Low | 77.8 | Confident | 89 Ų | 89 | 53.1 Ų | 53.1 | 92% | 0.918 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -3.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | A86 | A86-G88 PolarHBondContact O-N 3.01Å; A86-G88 VanDerWaalsContact O-N 3.07Å |
| 89 | A | 58.1 | Low | 77.9 | Confident | 72 Ų | 72 | 50.8 Ų | 50.8 | 60% | 0.595 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -10 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A86 A91 | A86-A89 HydrophobicContact CB-CB 3.96Å; A86-A89 PolarHBondContact O-N 3.23Å; A89-A91 PolarHBondContact O-N 2.99Å |
| 90 | A | 61.2 | Low | 78.1 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -66.8 | 127.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S92 | A90-S92 PolarHBondContact O-N 2.72Š|
| 91 | A | 71.6 | Confident | 78.5 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 132.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | G80 D82 A89 P93 | G80-A91 VanDerWaalsContact CA-CB 3.48Å; G80-A91 CarbonylContact O-C 3.54Å; D82-A91 HydrophobicContact CB-CB 4.37Å; A89-A91 PolarHBondContact O-N 2.99Å; A91-P93 WeakPolarHBondContact O-CD 2.99Å |
| 92 | S | 83.4 | Confident | 78.9 | Confident | 53 Ų | 53 | 49.2 Ų | 49.2 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 119.8 | -179.5 | -50.9 | 0 | 0 | 0 | 0 | 108.2 | A90 A94 S150 G152 | A90-S92 PolarHBondContact O-N 2.72Å; S92-A94 PolarHBondContact O-N 2.81Å; S92-S150 WeakPolarHBondContact CA-OG 3.47Å; S92-S150 VanDerWaalsContact CB-OG 3.27Å; S92-S150 WeakPolarHBondContact CB-OG 3.33Å; S92-G152 VanDerWaalsContact OG-CA 3.22Å; S92-G152 WeakPolarHBondContact OG-CA 3.42Å |
| 93 | P | 90.7 | Very high | 79.5 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 135.5 | 179.7 | 19.9 | -30.7 | 0 | 0 | 0 | 110.5 | R79 G80 L81 A91 F95 S150 V153 V155 | R79-P93 CarbonylContact O-C 3.48Å; R79-P93 VanDerWaalsContact O-CA 3.31Å; R79-P93 WeakPolarHBondContact O-CA 3.27Å; G80-P93 WeakPolarHBondContact O-CA 3.2Å; L81-P93 HydrophobicContact CD1-CB 4.12Å; A91-P93 WeakPolarHBondContact O-CD 2.99Å; P93-F95 HydrophobicContact CB-CE2 3.92Å; P93-F95 HydrophobicContact CB-CZ 4.2Å; P93-S150 WeakPolarHBondContact CD-OG 3.22Å; P93-S150 VanDerWaalsContact N-OG 3.14Å; P93-S150 PolarHBondContact O-N 3.21Å; P93-S150 VanDerWaalsContact O-N 3.17Å; P93-S150 PolarHBondContact O-OG 2.9Å; P93-V153 WeakPolarHBondContact CD-O 3.3Å; P93-V155 HydrophobicContact CB-CG2 4.4Å; P93-V155 HydrophobicContact CG-CG2 3.91Å |
| 94 | A | 93.8 | Very high | 80.3 | Confident | 13 Ų | 13 | 45 Ų | 45 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 137.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | R79 S92 A148 T149 | R79-A94 HydrophobicContact CB-CB 4.48Å; R79-A94 PolarHBondContact N-O 2.8Å; R79-A94 PolarHBondContact O-N 2.93Å; S92-A94 PolarHBondContact O-N 2.81Å; A94-A148 CarbonylContact C-O 3.51Å; A94-A148 VanDerWaalsContact CA-O 3.24Å; A94-A148 WeakPolarHBondContact CA-O 3.36Å; A94-T149 HydrophobicContact CB-CG2 4.21Å |
| 95 | F | 95.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 122.2 | -176.3 | -55.6 | -92.6 | 0 | 0 | 0 | 109.3 | L75 G77 V78 L81 P93 L97 V119 L126 A127 A148 L174 | L75-F95 HydrophobicContact CD1-CB 4.36Å; L75-F95 HydrophobicContact CD1-CD1 4.25Å; G77-F95 WeakPolarHBondContact O-CA 3.34Å; V78-F95 HydrophobicContact CB-CD1 4.43Å; V78-F95 HydrophobicContact CG1-CD1 3.96Å; V78-F95 HydrophobicContact CG1-CE1 3.67Å; V78-F95 HydrophobicContact CG1-CZ 4.49Å; V78-F95 HydrophobicContact CG2-CD1 3.94Å; V78-F95 HydrophobicContact CG2-CE1 4.21Å; L81-F95 HydrophobicContact CD1-CE1 4.45Å; L81-F95 HydrophobicContact CD1-CZ 3.98Å; P93-F95 HydrophobicContact CB-CE2 3.92Å; P93-F95 HydrophobicContact CB-CZ 4.2Å; F95-L97 HydrophobicContact CB-CD2 4.46Å; F95-L97 HydrophobicContact CB-CG 4.49Å; F95-V119 HydrophobicContact CB-CG2 4.32Å; F95-V119 HydrophobicContact CD1-CG1 4.2Å; F95-V119 HydrophobicContact CD2-CB 4.14Å; F95-V119 HydrophobicContact CD2-CG1 3.97Å; F95-V119 HydrophobicContact CD2-CG2 4.24Å; F95-V119 HydrophobicContact CE1-CG1 4.24Å; F95-V119 HydrophobicContact CE2-CB 4.36Å; F95-V119 HydrophobicContact CE2-CG1 3.97Å; F95-V119 HydrophobicContact CG-CG1 4.08Å; F95-V119 HydrophobicContact CG-CG2 4.33Å; F95-V119 HydrophobicContact CZ-CG1 4.12Å; F95-L126 HydrophobicContact CE2-CB 3.97Å; F95-L126 HydrophobicContact CE2-CD1 4.46Å; F95-L126 HydrophobicContact CZ-CB 4.23Å; F95-L126 HydrophobicContact CZ-CD1 3.88Å; F95-A127 HydrophobicContact CD2-CB 3.6Å; F95-A127 HydrophobicContact CE2-CB 3.77Å; F95-A148 HydrophobicContact CB-CB 4.45Å; F95-A148 PolarHBondContact N-O 3.4Å; F95-A148 PolarHBondContact O-N 2.9Å; F95-L174 HydrophobicContact CD1-CD1 3.87Å; F95-L174 HydrophobicContact CE1-CD1 3.65Å; F95-L174 HydrophobicContact CE1-CD2 4.13Å; F95-L174 HydrophobicContact CZ-CD2 4.39Å |
| 96 | D | 96.3 | Very high | 81.8 | Confident | 41 Ų | 41 | 37.3 Ų | 37.3 | 22% | 0.219 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119.2 | 171.8 | -62 | -39.4 | 0 | 0 | 0 | 108.7 | V76 G77 R79 | V76-D96 HydrophobicContact CB-CB 4.29Å; V76-D96 PolarHBondContact N-O 2.65Å; G77-D96 PolarHBondContact N-O 3.09Å; G77-D96 PolarHBondContact O-N 3.02Å; R79-D96 IonicContact CZ-OD1 2.85Å; R79-D96 IonicContact CZ-OD2 3.76Å; R79-D96 IonicContact NH1-OD1 3.36Å; R79-D96 IonicContact NH1-OD2 3.86Å; R79-D96 PolarHBondContact NH1-OD2 2.87Å; R79-D96 VanDerWaalsContact NH2-CG 3.28Å; R79-D96 IonicContact NH2-OD1 2.72Å; R79-D96 PolarHBondContact NH2-OD1 2.85Å; R79-D96 IonicContact NH2-OD2 2.82Å; R79-D96 PolarHBondContact NH2-OD2 2.9Å |
| 97 | L | 96.7 | Very high | 82.5 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 139.9 | -175.8 | -56.8 | 175.2 | 0 | 0 | 0 | 110.1 | V73 E74 L75 F95 V117 V119 A145 V146 I176 | V73-L97 HydrophobicContact CG2-CB 4.32Å; V73-L97 HydrophobicContact CG2-CD2 4.27Å; E74-L97 WeakPolarHBondContact O-CA 3.35Å; L75-L97 HydrophobicContact CB-CD2 4.47Å; L75-L97 HydrophobicContact CD1-CD2 3.6Å; F95-L97 HydrophobicContact CB-CD2 4.46Å; F95-L97 HydrophobicContact CB-CG 4.49Å; L97-V117 HydrophobicContact CD1-CG1 3.7Å; L97-V119 HydrophobicContact CD1-CG2 3.94Å; L97-A145 WeakPolarHBondContact O-CA 3.1Å; L97-V146 HydrophobicContact CB-CB 4.37Å; L97-V146 PolarHBondContact N-O 3.31Å; L97-V146 PolarHBondContact O-N 2.93Å; L97-I176 HydrophobicContact CD1-CD1 4.35Å; L97-I176 HydrophobicContact CD1-CG2 4.09Å; L97-I176 HydrophobicContact CD2-CD1 3.69Å |
| 98 | L | 96.6 | Very high | 83.8 | Confident | 56 Ų | 56 | 34.1 Ų | 34.1 | 29% | 0.293 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.6 | 165 | -72.7 | 171.7 | 0 | 0 | 0 | 109.1 | V73 E74 V76 T143 A145 | V73-L98 CarbonylContact C-O 3.54Å; V73-L98 WeakPolarHBondContact CA-O 3.12Å; E74-L98 HydrophobicContact CB-CB 4.32Å; E74-L98 PolarHBondContact N-O 2.83Å; E74-L98 PolarHBondContact O-N 2.84Å; V76-L98 HydrophobicContact CG2-CB 4.08Å; V76-L98 HydrophobicContact CG2-CD1 3.43Å; V76-L98 VanDerWaalsContact CG2-CD1 3.43Å; V76-L98 HydrophobicContact CG2-CG 3.51Å; L98-T143 HydrophobicContact CB-CG2 4.03Å; L98-T143 HydrophobicContact CD2-CG2 3.77Å; L98-T143 HydrophobicContact CG-CG2 4.35Å; L98-A145 HydrophobicContact CD2-CB 3.94Å |
| 99 | L | 95.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.4 | 174.4 | -61.6 | 171.7 | 0 | 0 | 0 | 108.6 | V73 V117 T131 T143 V144 V146 L178 W190 | V73-L99 HydrophobicContact CB-CD2 3.75Å; V73-L99 HydrophobicContact CG2-CD2 3.61Å; L99-V117 HydrophobicContact CD1-CG2 4.03Å; L99-T131 HydrophobicContact CD1-CG2 3.4Å; L99-T143 CarbonylContact O-C 3.6Å; L99-T143 VanDerWaalsContact O-CA 3.29Å; L99-T143 WeakPolarHBondContact O-CA 3.34Å; L99-V144 HydrophobicContact CB-CB 4.4Å; L99-V144 PolarHBondContact N-O 2.81Å; L99-V144 PolarHBondContact O-N 3.02Å; L99-V146 HydrophobicContact CD1-CG2 3.64Å; L99-V146 HydrophobicContact CG-CG2 4.32Å; L99-L178 HydrophobicContact CD1-CD1 4.01Å; L99-L178 HydrophobicContact CD1-CD2 4.11Å; L99-W190 HydrophobicContact CD2-CH2 4.08Å; L99-W190 HydrophobicContact CD2-CZ3 4.11Å |
| 100 | R | 95.5 | Very high | 86.6 | Confident | 105 Ų | 105 | 30.8 Ų | 30.8 | 40% | 0.396 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 125.4 | 172 | -173.9 | 169.2 | -179.2 | -72.1 | -22.7 | 108.6 | S71 S72 D102 A142 | S71-R100 CarbonylContact C-O 3.47Å; S71-R100 VanDerWaalsContact CA-O 3.28Å; S71-R100 WeakPolarHBondContact CA-O 3.31Å; S72-R100 PolarHBondContact N-O 3.04Å; S72-R100 PolarHBondContact O-N 2.97Å; R100-D102 IonicContact CZ-OD1 3.05Å; R100-D102 IonicContact CZ-OD2 3.19Å; R100-D102 IonicContact NH1-OD1 3.41Å; R100-D102 PolarHBondContact NH1-OD1 3.42Å; R100-D102 IonicContact NH1-OD2 3.31Å; R100-D102 PolarHBondContact NH1-OD2 2.88Å; R100-D102 IonicContact NH2-OD1 3.39Å; R100-D102 PolarHBondContact NH2-OD1 3.33Å; R100-D102 IonicContact NH2-OD2 2.63Å; R100-A142 WeakPolarHBondContact CA-O 3.5Å |
| 101 | L | 93 | Very high | 87.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.3 | -174.3 | -59 | 169.4 | 0 | 0 | 0 | 108.4 | I69 S70 F134 L136 S141 A142 V144 L178 | I69-L101 HydrophobicContact CG2-CB 4.06Å; I69-L101 HydrophobicContact CG2-CD2 4.17Å; S70-L101 WeakPolarHBondContact O-CA 3.37Å; L101-F134 HydrophobicContact CD1-CD1 4.12Å; L101-F134 HydrophobicContact CD1-CD2 4.39Å; L101-F134 HydrophobicContact CD1-CE1 3.48Å; L101-F134 VanDerWaalsContact CD1-CE1 3.48Å; L101-F134 HydrophobicContact CD1-CE2 3.8Å; L101-F134 HydrophobicContact CD1-CZ 3.3Å; L101-L136 HydrophobicContact CB-CD1 3.92Å; L101-S141 CarbonylContact O-C 3.55Å; L101-S141 WeakPolarHBondContact O-CA 3.43Å; L101-A142 PolarHBondContact N-O 3.5Å; L101-A142 PolarHBondContact O-N 2.9Å; L101-V144 HydrophobicContact CD1-CG2 4.24Å; L101-L178 HydrophobicContact CD2-CD2 4.33Å |
| 102 | D | 92.2 | Very high | 88.6 | Confident | 38 Ų | 38 | 35.4 Ų | 35.4 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.2 | -175.2 | -67 | -79.7 | 0 | 0 | 0 | 110 | I69 S70 R100 G104 S141 | I69-D102 WeakPolarHBondContact CA-O 3.42Å; S70-D102 PolarHBondContact N-O 2.88Å; S70-D102 PolarHBondContact O-N 3.47Å; R100-D102 IonicContact CZ-OD1 3.05Å; R100-D102 IonicContact CZ-OD2 3.19Å; R100-D102 IonicContact NH1-OD1 3.41Å; R100-D102 PolarHBondContact NH1-OD1 3.42Å; R100-D102 IonicContact NH1-OD2 3.31Å; R100-D102 PolarHBondContact NH1-OD2 2.88Å; R100-D102 IonicContact NH2-OD1 3.39Å; R100-D102 PolarHBondContact NH2-OD1 3.33Å; R100-D102 IonicContact NH2-OD2 2.63Å; D102-G104 PolarHBondContact O-N 3.11Å; D102-S141 WeakPolarHBondContact OD1-CB 3.35Å |
| 103 | N | 89.8 | Confident | 88.9 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 106 | 170.6 | 178.2 | 17.8 | 0 | 0 | 0 | 109.6 | D105 G108 Q110 L136 G137 R139 S140 | N103-D105 VanDerWaalsContact C-N 3.28Å; N103-D105 PolarHBondContact O-N 3.46Å; N103-D105 WeakPolarHBondContact OD1-CB 3.5Å; N103-D105 PolarHBondContact OD1-N 2.81Å; N103-G108 PolarHBondContact ND2-O 3.36Å; N103-Q110 PolarHBondContact OD1-NE2 2.81Å; N103-L136 HydrophobicContact CB-CB 3.64Å; N103-L136 HydrophobicContact CB-CD1 4.11Å; N103-L136 HydrophobicContact CB-CG 4.49Å; N103-L136 PolarHBondContact ND2-O 3.48Å; N103-G137 PolarHBondContact ND2-O 3.11Å; N103-R139 WeakPolarHBondContact O-CA 3.37Å; N103-R139 PolarHBondContact O-N 2.92Å; N103-S140 PolarHBondContact N-O 3.01Å |
| 104 | G | 84.1 | Confident | 88.8 | Confident | 32 Ų | 32 | 41.1 Ų | 41.1 | 33% | 0.33 | 22% | 0.222 | S | C | . | . | trans | -76 | -13.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K67 D102 | K67-G104 VanDerWaalsContact CD-O 3.31Å; K67-G104 WeakPolarHBondContact CD-O 3.32Å; D102-G104 PolarHBondContact O-N 3.11Å | ||
| 105 | D | 82.2 | Confident | 88.7 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | trans | -67.7 | 136.7 | -176.3 | -162.8 | -67.1 | 0 | 0 | 0 | 111.2 | N66 N103 C107 G108 A138 R139 | N66-D105 PolarHBondContact N-OD2 2.79Å; N103-D105 VanDerWaalsContact C-N 3.28Å; N103-D105 PolarHBondContact O-N 3.46Å; N103-D105 WeakPolarHBondContact OD1-CB 3.5Å; N103-D105 PolarHBondContact OD1-N 2.81Å; D105-C107 PolarHBondContact OD1-N 3.07Å; D105-G108 PolarHBondContact OD1-N 2.72Å; D105-A138 CarbonylContact O-C 3.43Å; D105-A138 WeakPolarHBondContact O-CA 3.08Å; D105-R139 PolarHBondContact O-N 3.16Å | ||
| 106 | A | 74.9 | Confident | 88.7 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -86.5 | -18.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I64 | I64-A106 HydrophobicContact CG2-CB 4.03Å; I64-A106 VanDerWaalsContact O-CB 3.27Å; I64-A106 WeakPolarHBondContact O-CB 3.48Å; I64-A106 PolarHBondContact O-N 3.11Å |
| 107 | C | 72.6 | Confident | 88.6 | Confident | 87 Ų | 87 | 41.9 Ų | 41.9 | 59% | 0.588 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -130.3 | -12.6 | -170.3 | -63.7 | 0 | 0 | 0 | 0 | 114 | F65 D105 | F65-C107 HydrophobicContact CD1-CB 4.06Å; F65-C107 HydrophobicContact CE1-CB 3.56Å; D105-C107 PolarHBondContact OD1-N 3.07Å |
| 108 | G | 80.3 | Confident | 88.6 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 27% | 0.268 | 25% | 0.249 | S | C | . | . | trans | -112.5 | 126.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N103 D105 | N103-G108 PolarHBondContact ND2-O 3.36Å; D105-G108 PolarHBondContact OD1-N 2.72Å | ||
| 109 | D | 86.8 | Confident | 88.6 | Confident | 61 Ų | 61 | 43 Ų | 43 | 33% | 0.326 | 24% | 0.235 | S | C | . | . | trans | -72.4 | 136.4 | 160.1 | -75.2 | 11.3 | 0 | 0 | 0 | 109.3 | Y111 R135 L136 G137 A138 | D109-Y111 HydrophobicContact CB-CE2 3.69Å; D109-R135 IonicContact OD2-CZ 2.76Å; D109-R135 IonicContact OD2-NE 3.55Å; D109-R135 PolarHBondContact OD2-NE 3.34Å; D109-R135 IonicContact OD2-NH2 2.72Å; D109-R135 PolarHBondContact OD2-NH2 3.07Å; D109-L136 CarbonylContact C-O 3.55Å; D109-L136 WeakPolarHBondContact CA-O 3.28Å; D109-G137 VanDerWaalsContact OD1-CA 3.26Å; D109-G137 WeakPolarHBondContact OD1-CA 3.27Å; D109-A138 PolarHBondContact OD1-N 3.16Å | ||
| 110 | Q | 85.2 | Confident | 88.7 | Confident | 29 Ų | 29 | 43.6 Ų | 43.6 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129.5 | 177.8 | -61.8 | -158.6 | 51.4 | 0 | 0 | 110.5 | K67 I69 N103 R135 L136 | K67-Q110 PolarHBondContact O-NE2 2.68Å; I69-Q110 HydrophobicContact CD1-CB 4.04Å; I69-Q110 HydrophobicContact CG1-CB 4.41Å; N103-Q110 PolarHBondContact OD1-NE2 2.81Å; Q110-R135 CarbonylContact O-C 3.58Å; Q110-R135 WeakPolarHBondContact O-CA 3.05Å; Q110-L136 PolarHBondContact N-O 3.07Å; Q110-L136 PolarHBondContact O-N 3.02Å |
| 111 | Y | 86.9 | Confident | 88.7 | Confident | 127 Ų | 127 | 38.7 Ų | 38.7 | 50% | 0.498 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.2 | -179 | -58.4 | -103.1 | 0 | 0 | 0 | 109.2 | D109 R135 | D109-Y111 HydrophobicContact CB-CE2 3.69Å; Y111-R135 HydrophobicContact CD1-CB 3.87Å; Y111-R135 HydrophobicContact CD1-CG 3.69Å; Y111-R135 HydrophobicContact CE1-CB 4.04Å; Y111-R135 HydrophobicContact CE1-CG 3.45Å; Y111-R135 VanDerWaalsContact CE1-CG 3.45Å; Y111-R135 HydrophobicContact CG-CG 4.37Å; Y111-R135 PolarHBondContact OH-NE 2.97Å; Y111-R135 VanDerWaalsContact OH-NE 3.09Å; Y111-R135 PolarHBondContact OH-NH1 3.21Å; Y111-R135 PolarHBondContact OH-NH2 3.09Å |
| 112 | R | 87.9 | Confident | 88.7 | Confident | 25 Ų | 25 | 41.7 Ų | 41.7 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.8 | 171.1 | -60.2 | -65.8 | 179.6 | -82.5 | -3.2 | 107.7 | I69 G114 G133 F134 L180 E186 | I69-R112 HydrophobicContact CD1-CG 4.38Å; R112-G114 PolarHBondContact O-N 2.85Å; R112-G133 CarbonylContact O-C 3.54Å; R112-G133 WeakPolarHBondContact O-CA 3.27Å; R112-F134 HydrophobicContact CB-CD1 4.39Å; R112-F134 HydrophobicContact CB-CE1 3.83Å; R112-F134 HydrophobicContact CB-CE2 3.98Å; R112-F134 HydrophobicContact CB-CZ 3.59Å; R112-F134 HydrophobicContact CG-CE1 4.29Å; R112-F134 HydrophobicContact CG-CE2 3.81Å; R112-F134 HydrophobicContact CG-CZ 3.54Å; R112-F134 PolarHBondContact N-O 3.24Å; R112-F134 PolarHBondContact O-N 3.15Å; R112-L180 HydrophobicContact CG-CB 4.5Å; R112-L180 HydrophobicContact CG-CD1 4.28Å; R112-E186 IonicContact CZ-OE1 2.65Å; R112-E186 IonicContact CZ-OE2 3.16Å; R112-E186 VanDerWaalsContact CZ-OE2 3.31Å; R112-E186 IonicContact NE-OE1 3.64Å; R112-E186 IonicContact NE-OE2 3.33Å; R112-E186 PolarHBondContact NE-OE2 2.82Å; R112-E186 VanDerWaalsContact NH2-CD 3.27Å; R112-E186 IonicContact NH2-OE1 2.68Å; R112-E186 PolarHBondContact NH2-OE1 2.74Å; R112-E186 IonicContact NH2-OE2 3.07Å; R112-E186 PolarHBondContact NH2-OE2 2.87Å |
| 113 | E | 89.2 | Confident | 88.8 | Confident | 168 Ų | 168 | 42.7 Ų | 42.7 | 79% | 0.785 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -8.1 | 179.2 | -65.3 | -179.4 | 169.3 | 0 | 0 | 112.6 | G133 | E113-G133 VanDerWaalsContact O-CA 3.27Å; E113-G133 WeakPolarHBondContact O-CA 3.33Å; E113-G133 PolarHBondContact O-N 2.86Å |
| 114 | G | 90.5 | Very high | 88.9 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.6 | -160.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | R112 T131 G181 | R112-G114 PolarHBondContact O-N 2.85Å; G114-T131 VanDerWaalsContact CA-O 3.22Å; G114-T131 WeakPolarHBondContact CA-O 3.13Å; G114-G181 PolarHBondContact O-N 2.95Å |
| 115 | G | 91.9 | Very high | 89.4 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | 179.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S130 T131 Q179 | G115-S130 CarbonylContact O-C 3.51Å; G115-S130 WeakPolarHBondContact O-CA 3.25Å; G115-S130 WeakPolarHBondContact O-CB 3.17Å; G115-T131 WeakPolarHBondContact CA-OG1 3.34Å; G115-T131 PolarHBondContact N-O 3.37Å; G115-T131 PolarHBondContact N-OG1 2.87Å; G115-T131 PolarHBondContact O-N 2.92Å; G115-T131 PolarHBondContact O-OG1 2.97Å; G115-Q179 CarbonylContact C-O 3.6Å; G115-Q179 WeakPolarHBondContact CA-O 2.97Å |
| 116 | S | 94.1 | Very high | 89.9 | Confident | 51 Ų | 51 | 46.6 Ų | 46.6 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140.8 | 176.1 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | G129 Q179 | S116-G129 WeakPolarHBondContact CA-O 3.37Å; S116-Q179 PolarHBondContact N-O 3.48Å; S116-Q179 PolarHBondContact O-N 3.28Å |
| 117 | V | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.1 | 170.5 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | L97 L99 H128 G129 T131 V146 I176 G177 L178 | L97-V117 HydrophobicContact CD1-CG1 3.7Å; L99-V117 HydrophobicContact CD1-CG2 4.03Å; V117-H128 CarbonylContact O-C 3.58Å; V117-H128 WeakPolarHBondContact O-CA 3.38Å; V117-G129 PolarHBondContact N-O 3.03Å; V117-G129 PolarHBondContact O-N 2.78Å; V117-T131 HydrophobicContact CG2-CG2 3.98Å; V117-V146 HydrophobicContact CB-CG1 4.12Å; V117-V146 HydrophobicContact CG2-CG1 3.98Å; V117-V146 HydrophobicContact CG2-CG2 4.28Å; V117-I176 HydrophobicContact CG1-CG2 3.99Å; V117-G177 CarbonylContact C-O 3.51Å; V117-G177 VanDerWaalsContact CA-O 3.31Å; V117-G177 WeakPolarHBondContact CA-O 3.5Å; V117-L178 HydrophobicContact CG2-CD1 3.62Å |
| 118 | K | 96 | Very high | 92 | Very high | 83 Ų | 83 | 45.8 Ų | 45.8 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 126.9 | 174.6 | -178.4 | -176.1 | -174.8 | -166.9 | 0 | 108.6 | S120 I176 G177 | K118-S120 WeakPolarHBondContact CE-OG 3.31Å; K118-I176 WeakPolarHBondContact O-CA 3.43Å; K118-G177 PolarHBondContact N-O 3.18Å; K118-G177 PolarHBondContact O-N 3.34Å |
| 119 | V | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.4 | 171.6 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | F95 L97 L126 A127 A148 L174 | F95-V119 HydrophobicContact CB-CG2 4.32Å; F95-V119 HydrophobicContact CD1-CG1 4.2Å; F95-V119 HydrophobicContact CD2-CB 4.14Å; F95-V119 HydrophobicContact CD2-CG1 3.97Å; F95-V119 HydrophobicContact CD2-CG2 4.24Å; F95-V119 HydrophobicContact CE1-CG1 4.24Å; F95-V119 HydrophobicContact CE2-CB 4.36Å; F95-V119 HydrophobicContact CE2-CG1 3.97Å; F95-V119 HydrophobicContact CG-CG1 4.08Å; F95-V119 HydrophobicContact CG-CG2 4.33Å; F95-V119 HydrophobicContact CZ-CG1 4.12Å; L97-V119 HydrophobicContact CD1-CG2 3.94Å; V119-L126 PolarHBondContact O-N 3.18Å; V119-A127 HydrophobicContact CB-CB 4.36Å; V119-A127 PolarHBondContact N-O 3.36Å; V119-A127 PolarHBondContact O-N 2.87Å; V119-A148 HydrophobicContact CG2-CB 3.91Å; V119-L174 HydrophobicContact CG1-CB 4.39Å; V119-L174 HydrophobicContact CG1-CD1 4.29Å; V119-L174 HydrophobicContact CG1-CD2 3.94Å; V119-L174 HydrophobicContact CG1-CG 4.46Å |
| 120 | S | 96 | Very high | 93.1 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 155.4 | -179.4 | -47.5 | 0 | 0 | 0 | 0 | 110.5 | K118 V124 D175 | K118-S120 WeakPolarHBondContact CE-OG 3.31Å; S120-V124 CarbonylContact C-O 3.51Å; S120-V124 WeakPolarHBondContact CA-O 3.33Å; S120-V124 VanDerWaalsContact CB-O 3.31Å; S120-V124 WeakPolarHBondContact CB-O 3.48Å; S120-D175 PolarHBondContact N-O 3.05Å; S120-D175 PolarHBondContact O-N 2.85Å |
| 121 | Y | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.6 | 171.8 | -168.9 | -83.2 | 0 | 0 | 0 | 109 | G123 V124 L159 M163 E166 A172 Q173 L174 | Y121-G123 PolarHBondContact O-N 2.79Å; Y121-G123 VanDerWaalsContact O-N 3.11Å; Y121-V124 PolarHBondContact N-O 2.94Å; Y121-V124 WeakPolarHBondContact O-CB 3.49Å; Y121-V124 PolarHBondContact O-N 3.38Å; Y121-L159 HydrophobicContact CD1-CD1 3.9Å; Y121-L159 HydrophobicContact CD1-CG 4.48Å; Y121-M163 HydrophobicContact CD1-CB 4.13Å; Y121-M163 HydrophobicContact CD1-CG 4.42Å; Y121-M163 HydrophobicContact CD2-CG 4.01Å; Y121-M163 HydrophobicContact CD2-SD 3.87Å; Y121-M163 HydrophobicContact CE1-CB 3.71Å; Y121-M163 HydrophobicContact CE1-CG 4.1Å; Y121-M163 HydrophobicContact CE2-CB 4.18Å; Y121-M163 HydrophobicContact CE2-CG 3.63Å; Y121-M163 HydrophobicContact CE2-SD 4.11Å; Y121-M163 HydrophobicContact CG-CG 4.38Å; Y121-M163 HydrophobicContact CG-SD 4.09Å; Y121-E166 WeakPolarHBondContact CE1-OE2 3.14Å; Y121-E166 VanDerWaalsContact CZ-OE2 3.27Å; Y121-E166 WeakPolarHBondContact OH-CB 3.26Å; Y121-E166 PolarHBondContact OH-OE2 2.97Å; Y121-A172 HydrophobicContact CE2-CB 4.02Å; Y121-A172 WeakPolarHBondContact OH-CA 3.39Å; Y121-A172 WeakPolarHBondContact OH-CB 3.2Å; Y121-Q173 WeakPolarHBondContact CD2-O 2.79Å; Y121-Q173 WeakPolarHBondContact CE2-O 3.26Å; Y121-L174 HydrophobicContact CD2-CD2 3.87Å |
| 122 | A | 93.8 | Very high | 93.7 | Very high | 64 Ų | 64 | 43.2 Ų | 43.2 | 53% | 0.529 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 38.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V124 L159 L162 | A122-V124 VanDerWaalsContact C-N 3.28Å; A122-V124 PolarHBondContact O-N 2.72Å; A122-L159 HydrophobicContact CB-CD1 4.27Å; A122-L162 HydrophobicContact CB-CD2 4.28Å |
| 123 | G | 93.6 | Very high | 93.8 | Very high | 58 Ų | 58 | 44.2 Ų | 44.2 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | -6.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y121 | Y121-G123 PolarHBondContact O-N 2.79Å; Y121-G123 VanDerWaalsContact O-N 3.11Å |
| 124 | V | 93.3 | Very high | 93.9 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 35% | 0.345 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.1 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 110 | S120 Y121 A122 L126 L159 | S120-V124 CarbonylContact C-O 3.51Å; S120-V124 WeakPolarHBondContact CA-O 3.33Å; S120-V124 VanDerWaalsContact CB-O 3.31Å; S120-V124 WeakPolarHBondContact CB-O 3.48Å; Y121-V124 PolarHBondContact N-O 2.94Å; Y121-V124 WeakPolarHBondContact O-CB 3.49Å; Y121-V124 PolarHBondContact O-N 3.38Å; A122-V124 VanDerWaalsContact C-N 3.28Å; A122-V124 PolarHBondContact O-N 2.72Å; V124-L126 PolarHBondContact O-N 3.18Å; V124-L159 HydrophobicContact CB-CD1 4.45Å; V124-L159 HydrophobicContact CB-CD2 3.62Å; V124-L159 HydrophobicContact CG1-CD2 3.71Å; V124-L159 HydrophobicContact CG2-CD1 4.17Å; V124-L159 HydrophobicContact CG2-CD2 4.05Å |
| 125 | P | 93.5 | Very high | 93.9 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 126.9 | 175.1 | 24.2 | -31.5 | 0 | 0 | 0 | 111.2 | ||
| 126 | L | 93.6 | Very high | 93.9 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -42.1 | 175.5 | -63.4 | -173.6 | 0 | 0 | 0 | 111.9 | L81 F95 V119 V124 S150 V155 L159 L174 | L81-L126 HydrophobicContact CD1-CD1 4.43Å; F95-L126 HydrophobicContact CE2-CB 3.97Å; F95-L126 HydrophobicContact CE2-CD1 4.46Å; F95-L126 HydrophobicContact CZ-CB 4.23Å; F95-L126 HydrophobicContact CZ-CD1 3.88Å; V119-L126 PolarHBondContact O-N 3.18Å; V124-L126 PolarHBondContact O-N 3.18Å; L126-S150 WeakPolarHBondContact O-CB 3.37Å; L126-V155 HydrophobicContact CD2-CG1 4.32Å; L126-V155 HydrophobicContact CD2-CG2 4.31Å; L126-L159 HydrophobicContact CD2-CD2 3.74Å; L126-L174 HydrophobicContact CD1-CD2 3.99Å |
| 127 | A | 95.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 156.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F95 V119 A148 T149 | F95-A127 HydrophobicContact CD2-CB 3.6Å; F95-A127 HydrophobicContact CE2-CB 3.77Å; V119-A127 HydrophobicContact CB-CB 4.36Å; V119-A127 PolarHBondContact N-O 3.36Å; V119-A127 PolarHBondContact O-N 2.87Å; A127-A148 HydrophobicContact CB-CB 3.99Å; A127-T149 WeakPolarHBondContact CA-O 3.21Å |
| 128 | H | 96.2 | Very high | 93.3 | Very high | 95 Ų | 95 | 43.5 Ų | 43.5 | 44% | 0.44 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.5 | 176.2 | -68.2 | -87.4 | 0 | 0 | 0 | 110.3 | V117 A148 T149 | V117-H128 CarbonylContact O-C 3.58Å; V117-H128 WeakPolarHBondContact O-CA 3.38Å; H128-A148 CarbonylContact O-C 3.58Å; H128-A148 VanDerWaalsContact O-CA 3.3Å; H128-A148 WeakPolarHBondContact O-CA 3.12Å; H128-T149 PolarHBondContact N-O 2.87Å; H128-T149 PolarHBondContact O-N 2.93Å |
| 129 | G | 95.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 177.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S116 V117 | S116-G129 WeakPolarHBondContact CA-O 3.37Å; V117-G129 PolarHBondContact N-O 3.03Å; V117-G129 PolarHBondContact O-N 2.78Å |
| 130 | S | 94.3 | Very high | 92.6 | Very high | 91 Ų | 91 | 50.3 Ų | 50.3 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 139.7 | 174.6 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | G115 | G115-S130 CarbonylContact O-C 3.51Å; G115-S130 WeakPolarHBondContact O-CA 3.25Å; G115-S130 WeakPolarHBondContact O-CB 3.17Å |
| 131 | T | 93.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 137.4 | 169.9 | 51.2 | 0 | 0 | 0 | 0 | 109.5 | L99 G114 G115 V117 V144 V146 L178 | L99-T131 HydrophobicContact CD1-CG2 3.4Å; G114-T131 VanDerWaalsContact CA-O 3.22Å; G114-T131 WeakPolarHBondContact CA-O 3.13Å; G115-T131 WeakPolarHBondContact CA-OG1 3.34Å; G115-T131 PolarHBondContact N-O 3.37Å; G115-T131 PolarHBondContact N-OG1 2.87Å; G115-T131 PolarHBondContact O-N 2.92Å; G115-T131 PolarHBondContact O-OG1 2.97Å; V117-T131 HydrophobicContact CG2-CG2 3.98Å; T131-V144 HydrophobicContact CG2-CG1 4.24Å; T131-V146 HydrophobicContact CG2-CG2 3.44Å; T131-V146 VanDerWaalsContact CG2-CG2 3.44Å; T131-L178 HydrophobicContact CG2-CD1 3.72Å |
| 132 | P | 91.8 | Very high | 92.3 | Very high | 79 Ų | 79 | 54.1 Ų | 54.1 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 158 | 166.1 | 29.7 | -36.2 | 0 | 0 | 0 | 110.5 | F134 V144 | P132-F134 WeakPolarHBondContact O-CD1 3.31Å; P132-V144 HydrophobicContact CG-CG1 3.83Å |
| 133 | G | 90.9 | Very high | 92.4 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 145.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R112 E113 | R112-G133 CarbonylContact O-C 3.54Å; R112-G133 WeakPolarHBondContact O-CA 3.27Å; E113-G133 VanDerWaalsContact O-CA 3.27Å; E113-G133 WeakPolarHBondContact O-CA 3.33Å; E113-G133 PolarHBondContact O-N 2.86Å |
| 134 | F | 90.6 | Very high | 92.4 | Very high | 25 Ų | 25 | 53 Ų | 53 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 159.4 | -178.4 | 61.3 | -96 | 0 | 0 | 0 | 111.2 | I69 L101 R112 P132 L136 V144 L180 | I69-F134 HydrophobicContact CD1-CE2 4.42Å; L101-F134 HydrophobicContact CD1-CD1 4.12Å; L101-F134 HydrophobicContact CD1-CD2 4.39Å; L101-F134 HydrophobicContact CD1-CE1 3.48Å; L101-F134 VanDerWaalsContact CD1-CE1 3.48Å; L101-F134 HydrophobicContact CD1-CE2 3.8Å; L101-F134 HydrophobicContact CD1-CZ 3.3Å; R112-F134 HydrophobicContact CB-CD1 4.39Å; R112-F134 HydrophobicContact CB-CE1 3.83Å; R112-F134 HydrophobicContact CB-CE2 3.98Å; R112-F134 HydrophobicContact CB-CZ 3.59Å; R112-F134 HydrophobicContact CG-CE1 4.29Å; R112-F134 HydrophobicContact CG-CE2 3.81Å; R112-F134 HydrophobicContact CG-CZ 3.54Å; R112-F134 PolarHBondContact N-O 3.24Å; R112-F134 PolarHBondContact O-N 3.15Å; P132-F134 WeakPolarHBondContact O-CD1 3.31Å; F134-L136 HydrophobicContact CD2-CD1 4.34Å; F134-L136 HydrophobicContact CD2-CD2 4.4Å; F134-L136 HydrophobicContact CD2-CG 3.88Å; F134-L136 HydrophobicContact CE2-CD1 3.92Å; F134-L136 HydrophobicContact CE2-CG 3.96Å; F134-V144 HydrophobicContact CD1-CG2 4.31Å; F134-L180 HydrophobicContact CE1-CD1 4.31Å; F134-L180 HydrophobicContact CE1-CD2 3.88Å; F134-L180 HydrophobicContact CZ-CD1 3.84Å; F134-L180 HydrophobicContact CZ-CD2 4.24Å |
| 135 | R | 90.8 | Very high | 92.6 | Very high | 151 Ų | 151 | 53.9 Ų | 53.9 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124 | 172.7 | 177.7 | -171.3 | -177.7 | 159.6 | -3.8 | 108.3 | D109 Q110 Y111 | D109-R135 IonicContact OD2-CZ 2.76Å; D109-R135 IonicContact OD2-NE 3.55Å; D109-R135 PolarHBondContact OD2-NE 3.34Å; D109-R135 IonicContact OD2-NH2 2.72Å; D109-R135 PolarHBondContact OD2-NH2 3.07Å; Q110-R135 CarbonylContact O-C 3.58Å; Q110-R135 WeakPolarHBondContact O-CA 3.05Å; Y111-R135 HydrophobicContact CD1-CB 3.87Å; Y111-R135 HydrophobicContact CD1-CG 3.69Å; Y111-R135 HydrophobicContact CE1-CB 4.04Å; Y111-R135 HydrophobicContact CE1-CG 3.45Å; Y111-R135 VanDerWaalsContact CE1-CG 3.45Å; Y111-R135 HydrophobicContact CG-CG 4.37Å; Y111-R135 PolarHBondContact OH-NE 2.97Å; Y111-R135 VanDerWaalsContact OH-NE 3.09Å; Y111-R135 PolarHBondContact OH-NH1 3.21Å; Y111-R135 PolarHBondContact OH-NH2 3.09Å |
| 136 | L | 91 | Very high | 92.7 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.9 | 169.6 | -62.4 | 174.5 | 0 | 0 | 0 | 108.3 | I69 L101 N103 D109 Q110 F134 A142 | I69-L136 HydrophobicContact CD1-CD1 3.94Å; I69-L136 HydrophobicContact CG1-CD1 4.1Å; I69-L136 HydrophobicContact CG2-CD1 4.02Å; L101-L136 HydrophobicContact CB-CD1 3.92Å; N103-L136 HydrophobicContact CB-CB 3.64Å; N103-L136 HydrophobicContact CB-CD1 4.11Å; N103-L136 HydrophobicContact CB-CG 4.49Å; N103-L136 PolarHBondContact ND2-O 3.48Å; D109-L136 CarbonylContact C-O 3.55Å; D109-L136 WeakPolarHBondContact CA-O 3.28Å; Q110-L136 PolarHBondContact N-O 3.07Å; Q110-L136 PolarHBondContact O-N 3.02Å; F134-L136 HydrophobicContact CD2-CD1 4.34Å; F134-L136 HydrophobicContact CD2-CD2 4.4Å; F134-L136 HydrophobicContact CD2-CG 3.88Å; F134-L136 HydrophobicContact CE2-CD1 3.92Å; F134-L136 HydrophobicContact CE2-CG 3.96Å; L136-A142 HydrophobicContact CD2-CB 3.42Å; L136-A142 VanDerWaalsContact CD2-CB 3.42Å |
| 137 | G | 90.6 | Very high | 92.8 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 19% | 0.186 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 163.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N103 D109 R139 S140 | N103-G137 PolarHBondContact ND2-O 3.11Å; D109-G137 VanDerWaalsContact OD1-CA 3.26Å; D109-G137 WeakPolarHBondContact OD1-CA 3.27Å; G137-R139 PolarHBondContact O-N 3.5Å; G137-S140 VanDerWaalsContact O-CB 3.26Å; G137-S140 WeakPolarHBondContact O-CB 3.5Å; G137-S140 PolarHBondContact O-N 2.83Å; G137-S140 VanDerWaalsContact O-N 3.11Å; G137-S140 PolarHBondContact O-OG 3.39Å |
| 138 | A | 87.4 | Confident | 92.9 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 132.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D105 D109 S140 | D105-A138 CarbonylContact O-C 3.43Å; D105-A138 WeakPolarHBondContact O-CA 3.08Å; D109-A138 PolarHBondContact OD1-N 3.16Å; A138-S140 PolarHBondContact O-N 2.91Å; A138-S140 PolarHBondContact O-OG 3.28Å; A138-S140 VanDerWaalsContact O-OG 3.11Å |
| 139 | R | 86.5 | Confident | 92.8 | Very high | 172 Ų | 172 | 52.2 Ų | 52.2 | 65% | 0.649 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 30.6 | -177.7 | -61.4 | -176.2 | 171.3 | 179.8 | -2 | 114.9 | N103 D105 G137 | N103-R139 WeakPolarHBondContact O-CA 3.37Å; N103-R139 PolarHBondContact O-N 2.92Å; D105-R139 PolarHBondContact O-N 3.16Å; G137-R139 PolarHBondContact O-N 3.5Å |
| 140 | S | 91.3 | Very high | 92.6 | Very high | 54 Ų | 54 | 52.1 Ų | 52.1 | 38% | 0.378 | 32% | 0.315 | S | S | . | . | trans | -111.1 | 158.5 | -178.4 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | N103 G137 A138 | N103-S140 PolarHBondContact N-O 3.01Å; G137-S140 VanDerWaalsContact O-CB 3.26Å; G137-S140 WeakPolarHBondContact O-CB 3.5Å; G137-S140 PolarHBondContact O-N 2.83Å; G137-S140 VanDerWaalsContact O-N 3.11Å; G137-S140 PolarHBondContact O-OG 3.39Å; A138-S140 PolarHBondContact O-N 2.91Å; A138-S140 PolarHBondContact O-OG 3.28Å; A138-S140 VanDerWaalsContact O-OG 3.11Å | ||
| 141 | S | 92.3 | Very high | 92.2 | Very high | 65 Ų | 65 | 54.4 Ų | 54.4 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 151.2 | 176.2 | 69.9 | 0 | 0 | 0 | 0 | 110.5 | L101 D102 | L101-S141 CarbonylContact O-C 3.55Å; L101-S141 WeakPolarHBondContact O-CA 3.43Å; D102-S141 WeakPolarHBondContact OD1-CB 3.35Å |
| 142 | A | 93.3 | Very high | 91.5 | Very high | 29 Ų | 29 | 56.5 Ų | 56.5 | 24% | 0.24 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | R100 L101 L136 | R100-A142 WeakPolarHBondContact CA-O 3.5Å; L101-A142 PolarHBondContact N-O 3.5Å; L101-A142 PolarHBondContact O-N 2.9Å; L136-A142 HydrophobicContact CD2-CB 3.42Å; L136-A142 VanDerWaalsContact CD2-CB 3.42Å |
| 143 | T | 95.3 | Very high | 91 | Very high | 87 Ų | 87 | 57.6 Ų | 57.6 | 53% | 0.534 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129 | 170.5 | -53.1 | 0 | 0 | 0 | 0 | 108.5 | L98 L99 | L98-T143 HydrophobicContact CB-CG2 4.03Å; L98-T143 HydrophobicContact CD2-CG2 3.77Å; L98-T143 HydrophobicContact CG-CG2 4.35Å; L99-T143 CarbonylContact O-C 3.6Å; L99-T143 VanDerWaalsContact O-CA 3.29Å; L99-T143 WeakPolarHBondContact O-CA 3.34Å |
| 144 | V | 94.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.8 | -178.2 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | L99 L101 T131 P132 F134 V146 | L99-V144 HydrophobicContact CB-CB 4.4Å; L99-V144 PolarHBondContact N-O 2.81Å; L99-V144 PolarHBondContact O-N 3.02Å; L101-V144 HydrophobicContact CD1-CG2 4.24Å; T131-V144 HydrophobicContact CG2-CG1 4.24Å; P132-V144 HydrophobicContact CG-CG1 3.83Å; F134-V144 HydrophobicContact CD1-CG2 4.31Å; V144-V146 HydrophobicContact CG1-CG2 4.26Å |
| 145 | A | 96 | Very high | 90.5 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 61% | 0.612 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 133 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | L97 L98 | L97-A145 WeakPolarHBondContact O-CA 3.1Å; L98-A145 HydrophobicContact CD2-CB 3.94Å |
| 146 | V | 96.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.9 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | L97 L99 V117 T131 V144 | L97-V146 HydrophobicContact CB-CB 4.37Å; L97-V146 PolarHBondContact N-O 3.31Å; L97-V146 PolarHBondContact O-N 2.93Å; L99-V146 HydrophobicContact CD1-CG2 3.64Å; L99-V146 HydrophobicContact CG-CG2 4.32Å; V117-V146 HydrophobicContact CB-CG1 4.12Å; V117-V146 HydrophobicContact CG2-CG1 3.98Å; V117-V146 HydrophobicContact CG2-CG2 4.28Å; T131-V146 HydrophobicContact CG2-CG2 3.44Å; T131-V146 VanDerWaalsContact CG2-CG2 3.44Å; V144-V146 HydrophobicContact CG1-CG2 4.26Å |
| 147 | N | 95.7 | Very high | 90.2 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 46% | 0.46 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 114.7 | 167.2 | -179 | 19.1 | 0 | 0 | 0 | 107.7 | ||
| 148 | A | 96.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.9 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | A94 F95 V119 A127 H128 | A94-A148 CarbonylContact C-O 3.51Å; A94-A148 VanDerWaalsContact CA-O 3.24Å; A94-A148 WeakPolarHBondContact CA-O 3.36Å; F95-A148 HydrophobicContact CB-CB 4.45Å; F95-A148 PolarHBondContact N-O 3.4Å; F95-A148 PolarHBondContact O-N 2.9Å; V119-A148 HydrophobicContact CG2-CB 3.91Å; A127-A148 HydrophobicContact CB-CB 3.99Å; H128-A148 CarbonylContact O-C 3.58Å; H128-A148 VanDerWaalsContact O-CA 3.3Å; H128-A148 WeakPolarHBondContact O-CA 3.12Å |
| 149 | T | 95 | Very high | 90.4 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 155.6 | -178.5 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | A94 A127 H128 D151 | A94-T149 HydrophobicContact CB-CG2 4.21Å; A127-T149 WeakPolarHBondContact CA-O 3.21Å; H128-T149 PolarHBondContact N-O 2.87Å; H128-T149 PolarHBondContact O-N 2.93Å; T149-D151 PolarHBondContact OG1-OD1 3.48Å |
| 150 | S | 90.9 | Very high | 90.6 | Very high | 10 Ų | 10 | 57.4 Ų | 57.4 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | trans | -92 | 4.6 | 178.8 | 51.5 | 0 | 0 | 0 | 0 | 114.6 | S92 P93 L126 G152 V153 | S92-S150 WeakPolarHBondContact CA-OG 3.47Å; S92-S150 VanDerWaalsContact CB-OG 3.27Å; S92-S150 WeakPolarHBondContact CB-OG 3.33Å; P93-S150 WeakPolarHBondContact CD-OG 3.22Å; P93-S150 VanDerWaalsContact N-OG 3.14Å; P93-S150 PolarHBondContact O-N 3.21Å; P93-S150 VanDerWaalsContact O-N 3.17Å; P93-S150 PolarHBondContact O-OG 2.9Å; L126-S150 WeakPolarHBondContact O-CB 3.37Å; S150-G152 PolarHBondContact O-N 3.45Å; S150-G152 VanDerWaalsContact O-N 3.13Å; S150-V153 WeakPolarHBondContact CB-O 3.49Å; S150-V153 WeakPolarHBondContact O-CB 3.39Å; S150-V153 WeakPolarHBondContact O-CG2 3.38Å; S150-V153 PolarHBondContact O-N 2.84Å; S150-V153 PolarHBondContact OG-O 3.44Å | ||
| 151 | D | 85.2 | Confident | 90.6 | Very high | 139 Ų | 139 | 62.9 Ų | 62.9 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 36.2 | -179.4 | -58 | -24.4 | 0 | 0 | 0 | 114.2 | T149 | T149-D151 PolarHBondContact OG1-OD1 3.48Š|
| 152 | G | 80 | Confident | 90.7 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 53% | 0.526 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -8.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S92 S150 G154 | S92-G152 VanDerWaalsContact OG-CA 3.22Å; S92-G152 WeakPolarHBondContact OG-CA 3.42Å; S150-G152 PolarHBondContact O-N 3.45Å; S150-G152 VanDerWaalsContact O-N 3.13Å; G152-G154 PolarHBondContact O-N 3.17Å |
| 153 | V | 81.3 | Confident | 90.7 | Very high | 103 Ų | 103 | 62 Ų | 62 | 62% | 0.624 | 35% | 0.347 | S | S | * | . | trans | -84.2 | 109.8 | -176.4 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | P93 S150 | P93-V153 WeakPolarHBondContact CD-O 3.3Å; S150-V153 WeakPolarHBondContact CB-O 3.49Å; S150-V153 WeakPolarHBondContact O-CB 3.39Å; S150-V153 WeakPolarHBondContact O-CG2 3.38Å; S150-V153 PolarHBondContact O-N 2.84Å; S150-V153 PolarHBondContact OG-O 3.44Å | ||
| 154 | G | 83.6 | Confident | 90.5 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 19% | 0.186 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 165.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G152 | G152-G154 PolarHBondContact O-N 3.17Š|
| 155 | V | 87.8 | Confident | 90.5 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -74.4 | 130.4 | 175.8 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | L81 P93 L126 E157 L159 F160 M163 | L81-V155 HydrophobicContact CD1-CG2 4.02Å; P93-V155 HydrophobicContact CB-CG2 4.4Å; P93-V155 HydrophobicContact CG-CG2 3.91Å; L126-V155 HydrophobicContact CD2-CG1 4.32Å; L126-V155 HydrophobicContact CD2-CG2 4.31Å; V155-E157 PolarHBondContact O-N 2.89Å; V155-L159 HydrophobicContact CG1-CB 4.15Å; V155-L159 HydrophobicContact CG1-CD2 4.09Å; V155-L159 HydrophobicContact CG1-CG 4.25Å; V155-F160 HydrophobicContact CB-CB 4.44Å; V155-F160 HydrophobicContact CG1-CB 3.95Å; V155-M163 HydrophobicContact CG1-CE 4.26Å |
| 156 | P | 87.1 | Confident | 90.4 | Very high | 72 Ų | 72 | 59.8 Ų | 59.8 | 47% | 0.468 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 138.6 | 171.9 | -24.6 | 33.9 | 0 | 0 | 0 | 111.4 | E158 L159 F160 | P156-E158 VanDerWaalsContact C-N 3.3Å; P156-E158 PolarHBondContact O-N 3.38Å; P156-L159 HydrophobicContact CB-CB 4.27Å; P156-L159 PolarHBondContact O-N 2.87Å; P156-F160 PolarHBondContact O-N 2.85Å |
| 157 | E | 87.4 | Confident | 90.2 | Very high | 132 Ų | 132 | 63 Ų | 63 | 62% | 0.617 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.5 | -40.5 | -173.4 | -174.8 | 177.6 | 177.2 | 0 | 0 | 113.2 | V155 F160 R161 | V155-E157 PolarHBondContact O-N 2.89Å; E157-F160 PolarHBondContact O-N 2.86Å; E157-R161 WeakPolarHBondContact O-CB 3.22Å; E157-R161 WeakPolarHBondContact O-CG 3.34Å; E157-R161 PolarHBondContact O-N 3.39Å |
| 158 | E | 90.1 | Very high | 90 | Very high | 160 Ų | 160 | 69.3 Ų | 69.3 | 75% | 0.748 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | 177.3 | -66.4 | -177.7 | 172.7 | 0 | 0 | 112.1 | P156 R161 L162 | P156-E158 VanDerWaalsContact C-N 3.3Å; P156-E158 PolarHBondContact O-N 3.38Å; E158-R161 PolarHBondContact O-N 2.86Å; E158-L162 PolarHBondContact O-N 3.31Å |
| 159 | L | 92.1 | Very high | 89.9 | Confident | 17 Ų | 17 | 75.8 Ų | 75.8 | 9% | 0.089 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 177.2 | -172.4 | 67.2 | 0 | 0 | 0 | 111 | Y121 A122 V124 L126 V155 P156 R161 L162 M163 | Y121-L159 HydrophobicContact CD1-CD1 3.9Å; Y121-L159 HydrophobicContact CD1-CG 4.48Å; A122-L159 HydrophobicContact CB-CD1 4.27Å; V124-L159 HydrophobicContact CB-CD1 4.45Å; V124-L159 HydrophobicContact CB-CD2 3.62Å; V124-L159 HydrophobicContact CG1-CD2 3.71Å; V124-L159 HydrophobicContact CG2-CD1 4.17Å; V124-L159 HydrophobicContact CG2-CD2 4.05Å; L126-L159 HydrophobicContact CD2-CD2 3.74Å; V155-L159 HydrophobicContact CG1-CB 4.15Å; V155-L159 HydrophobicContact CG1-CD2 4.09Å; V155-L159 HydrophobicContact CG1-CG 4.25Å; P156-L159 HydrophobicContact CB-CB 4.27Å; P156-L159 PolarHBondContact O-N 2.87Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.2Å; L159-L162 HydrophobicContact CD1-CD2 4.49Å; L159-L162 PolarHBondContact O-N 2.87Å; L159-M163 VanDerWaalsContact O-CB 3.27Å; L159-M163 WeakPolarHBondContact O-CB 3.5Å; L159-M163 PolarHBondContact O-N 3.17Å |
| 160 | F | 90.3 | Very high | 89.8 | Confident | 42 Ų | 42 | 76 Ų | 76 | 18% | 0.184 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 175 | 177 | -96.4 | 0 | 0 | 0 | 111.7 | L81 P83 V155 P156 E157 M163 S164 | L81-F160 VanDerWaalsContact O-CE2 3.22Å; L81-F160 WeakPolarHBondContact O-CE2 3.47Å; P83-F160 HydrophobicContact CB-CB 4.49Å; P83-F160 HydrophobicContact CB-CD1 3.56Å; P83-F160 HydrophobicContact CB-CE1 3.9Å; P83-F160 HydrophobicContact CB-CG 3.92Å; P83-F160 HydrophobicContact CG-CD1 3.91Å; P83-F160 HydrophobicContact CG-CE1 3.67Å; P83-F160 HydrophobicContact CG-CG 4.49Å; P83-F160 HydrophobicContact CG-CZ 4.11Å; V155-F160 HydrophobicContact CB-CB 4.44Å; V155-F160 HydrophobicContact CG1-CB 3.95Å; P156-F160 PolarHBondContact O-N 2.85Å; E157-F160 PolarHBondContact O-N 2.86Å; F160-M163 HydrophobicContact CD2-CE 3.99Å; F160-S164 WeakPolarHBondContact CE1-OG 3.38Å; F160-S164 VanDerWaalsContact CZ-OG 3.3Å; F160-S164 WeakPolarHBondContact CZ-OG 3.27Å; F160-S164 VanDerWaalsContact O-CB 3.27Å; F160-S164 WeakPolarHBondContact O-CB 3.49Å; F160-S164 PolarHBondContact O-N 2.9Å; F160-S164 PolarHBondContact O-OG 3.39Å |
| 161 | R | 92.4 | Very high | 89.9 | Confident | 168 Ų | 168 | 79.6 Ų | 79.6 | 63% | 0.634 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 175.9 | -78.6 | 177.5 | 55.5 | -147 | -9.3 | 112.4 | E157 E158 L159 A165 | E157-R161 WeakPolarHBondContact O-CB 3.22Å; E157-R161 WeakPolarHBondContact O-CG 3.34Å; E157-R161 PolarHBondContact O-N 3.39Å; E158-R161 PolarHBondContact O-N 2.86Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.2Å; R161-A165 WeakPolarHBondContact O-CB 3.06Å; R161-A165 PolarHBondContact O-N 3.47Å |
| 162 | L | 93.9 | Very high | 90.4 | Very high | 73 Ų | 73 | 73 Ų | 73 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.4 | -54.9 | 175.7 | 175.1 | 63.1 | 0 | 0 | 0 | 110.5 | A122 E158 L159 S164 A165 E166 | A122-L162 HydrophobicContact CB-CD2 4.28Å; E158-L162 PolarHBondContact O-N 3.31Å; L159-L162 HydrophobicContact CD1-CD2 4.49Å; L159-L162 PolarHBondContact O-N 2.87Å; L162-S164 VanDerWaalsContact C-N 3.32Å; L162-S164 PolarHBondContact O-N 2.82Å; L162-A165 WeakPolarHBondContact O-CB 3.14Å; L162-A165 PolarHBondContact O-N 2.89Å; L162-E166 HydrophobicContact CD1-CG 4.24Å; L162-E166 PolarHBondContact O-N 3.33Å |
| 163 | M | 92.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.2 | -44 | 179.5 | -178.5 | 171.9 | 59.2 | 0 | 0 | 112.1 | L81 Y121 V155 L159 F160 A165 E166 Q167 L194 | L81-M163 HydrophobicContact CD1-CE 3.64Å; L81-M163 HydrophobicContact CD1-SD 4.09Å; L81-M163 HydrophobicContact CD2-CE 3.55Å; L81-M163 HydrophobicContact CD2-SD 3.72Å; L81-M163 HydrophobicContact CG-CE 3.47Å; L81-M163 VanDerWaalsContact CG-CE 3.47Å; L81-M163 HydrophobicContact CG-SD 4.18Å; Y121-M163 HydrophobicContact CD1-CB 4.13Å; Y121-M163 HydrophobicContact CD1-CG 4.42Å; Y121-M163 HydrophobicContact CD2-CG 4.01Å; Y121-M163 HydrophobicContact CD2-SD 3.87Å; Y121-M163 HydrophobicContact CE1-CB 3.71Å; Y121-M163 HydrophobicContact CE1-CG 4.1Å; Y121-M163 HydrophobicContact CE2-CB 4.18Å; Y121-M163 HydrophobicContact CE2-CG 3.63Å; Y121-M163 HydrophobicContact CE2-SD 4.11Å; Y121-M163 HydrophobicContact CG-CG 4.38Å; Y121-M163 HydrophobicContact CG-SD 4.09Å; V155-M163 HydrophobicContact CG1-CE 4.26Å; L159-M163 VanDerWaalsContact O-CB 3.27Å; L159-M163 WeakPolarHBondContact O-CB 3.5Å; L159-M163 PolarHBondContact O-N 3.17Å; F160-M163 HydrophobicContact CD2-CE 3.99Å; M163-A165 VanDerWaalsContact C-N 3.32Å; M163-A165 PolarHBondContact O-N 2.92Å; M163-E166 PolarHBondContact O-N 3.31Å; M163-Q167 WeakPolarHBondContact O-CB 3.17Å; M163-Q167 PolarHBondContact O-N 3.4Å; M163-L194 HydrophobicContact CG-CD2 3.67Å; M163-L194 HydrophobicContact SD-CD2 3.94Å |
| 164 | S | 91.4 | Very high | 91.8 | Very high | 22 Ų | 22 | 70 Ų | 70 | 15% | 0.154 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 175.9 | -63.9 | 0 | 0 | 0 | 0 | 113 | F160 L162 R168 | F160-S164 WeakPolarHBondContact CE1-OG 3.38Å; F160-S164 VanDerWaalsContact CZ-OG 3.3Å; F160-S164 WeakPolarHBondContact CZ-OG 3.27Å; F160-S164 VanDerWaalsContact O-CB 3.27Å; F160-S164 WeakPolarHBondContact O-CB 3.49Å; F160-S164 PolarHBondContact O-N 2.9Å; F160-S164 PolarHBondContact O-OG 3.39Å; L162-S164 VanDerWaalsContact C-N 3.32Å; L162-S164 PolarHBondContact O-N 2.82Å; S164-R168 WeakPolarHBondContact O-CD 3.13Å; S164-R168 VanDerWaalsContact O-CG 3.23Å; S164-R168 WeakPolarHBondContact O-CG 3.47Å; S164-R168 PolarHBondContact O-N 3.29Å |
| 165 | A | 94.1 | Very high | 92.5 | Very high | 46 Ų | 46 | 72.2 Ų | 72.2 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.6 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R161 L162 M163 R168 L169 | R161-A165 WeakPolarHBondContact O-CB 3.06Å; R161-A165 PolarHBondContact O-N 3.47Å; L162-A165 WeakPolarHBondContact O-CB 3.14Å; L162-A165 PolarHBondContact O-N 2.89Å; M163-A165 VanDerWaalsContact C-N 3.32Å; M163-A165 PolarHBondContact O-N 2.92Å; A165-R168 PolarHBondContact O-N 3.24Å; A165-L169 WeakPolarHBondContact O-CG 3.35Å; A165-L169 PolarHBondContact O-N 3.18Å |
| 166 | E | 95.2 | Very high | 92.9 | Very high | 60 Ų | 60 | 72.1 Ų | 72.1 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.7 | -36.2 | 177.7 | -72.8 | 177.5 | 160.9 | 0 | 0 | 112.2 | Y121 L162 M163 R168 L169 G170 V171 A172 | Y121-E166 WeakPolarHBondContact CE1-OE2 3.14Å; Y121-E166 VanDerWaalsContact CZ-OE2 3.27Å; Y121-E166 WeakPolarHBondContact OH-CB 3.26Å; Y121-E166 PolarHBondContact OH-OE2 2.97Å; L162-E166 HydrophobicContact CD1-CG 4.24Å; L162-E166 PolarHBondContact O-N 3.33Å; M163-E166 PolarHBondContact O-N 3.31Å; E166-R168 PolarHBondContact O-N 3.08Å; E166-L169 CarbonylContact O-C 3.56Å; E166-L169 WeakPolarHBondContact O-CA 3.09Å; E166-L169 WeakPolarHBondContact O-CB 3.39Å; E166-L169 PolarHBondContact O-N 2.85Å; E166-G170 PolarHBondContact O-N 3.2Å; E166-V171 HydrophobicContact CB-CG2 3.88Å; E166-V171 HydrophobicContact CG-CG2 4.1Å; E166-V171 PolarHBondContact O-N 2.97Å; E166-A172 HydrophobicContact CB-CB 4.08Å; E166-A172 PolarHBondContact O-N 3.28Å |
| 167 | Q | 92 | Very high | 93.3 | Very high | 72 Ų | 72 | 69.3 Ų | 69.3 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 174.4 | -170.7 | 179.8 | 29.3 | 0 | 0 | 111 | M163 L169 G170 A172 D195 | M163-Q167 WeakPolarHBondContact O-CB 3.17Å; M163-Q167 PolarHBondContact O-N 3.4Å; Q167-L169 PolarHBondContact O-N 3.48Å; Q167-L169 VanDerWaalsContact O-N 3.15Å; Q167-G170 PolarHBondContact O-N 3.36Å; Q167-A172 HydrophobicContact CB-CB 3.95Å; Q167-D195 WeakPolarHBondContact CG-OD1 3.38Å; Q167-D195 PolarHBondContact NE2-OD1 2.82Å |
| 168 | R | 91 | Very high | 93.7 | Very high | 219 Ų | 219 | 63.1 Ų | 63.1 | 83% | 0.826 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.9 | -22.6 | 174.2 | -72.7 | 169.1 | -177 | -179.6 | 2.4 | 113.5 | S164 A165 E166 | S164-R168 WeakPolarHBondContact O-CD 3.13Å; S164-R168 VanDerWaalsContact O-CG 3.23Å; S164-R168 WeakPolarHBondContact O-CG 3.47Å; S164-R168 PolarHBondContact O-N 3.29Å; A165-R168 PolarHBondContact O-N 3.24Å; E166-R168 PolarHBondContact O-N 3.08Å |
| 169 | L | 93.9 | Very high | 93.8 | Very high | 135 Ų | 135 | 58.3 Ų | 58.3 | 71% | 0.707 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -5.7 | 176.2 | -64.7 | 173.2 | 0 | 0 | 0 | 112.6 | A165 E166 Q167 V171 | A165-L169 WeakPolarHBondContact O-CG 3.35Å; A165-L169 PolarHBondContact O-N 3.18Å; E166-L169 CarbonylContact O-C 3.56Å; E166-L169 WeakPolarHBondContact O-CA 3.09Å; E166-L169 WeakPolarHBondContact O-CB 3.39Å; E166-L169 PolarHBondContact O-N 2.85Å; Q167-L169 PolarHBondContact O-N 3.48Å; Q167-L169 VanDerWaalsContact O-N 3.15Å; L169-V171 VanDerWaalsContact C-N 3.35Å; L169-V171 HydrophobicContact CB-CG2 4.03Å |
| 170 | G | 92.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 57.5 Ų | 57.5 | 56% | 0.557 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 29.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E166 Q167 | E166-G170 PolarHBondContact O-N 3.2Å; Q167-G170 PolarHBondContact O-N 3.36Å |
| 171 | V | 94.4 | Very high | 93.3 | Very high | 84 Ų | 84 | 56.6 Ų | 56.6 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | trans | -124.3 | 6.9 | -178.5 | -56.7 | 0 | 0 | 0 | 0 | 113.4 | E166 L169 Q173 | E166-V171 HydrophobicContact CB-CG2 3.88Å; E166-V171 HydrophobicContact CG-CG2 4.1Å; E166-V171 PolarHBondContact O-N 2.97Å; L169-V171 VanDerWaalsContact C-N 3.35Å; L169-V171 HydrophobicContact CB-CG2 4.03Å; V171-Q173 PolarHBondContact O-N 2.94Å | ||
| 172 | A | 94.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.017 | 30% | 0.299 | C | S | . | . | trans | -73.7 | 119.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y121 E166 Q167 L194 | Y121-A172 HydrophobicContact CE2-CB 4.02Å; Y121-A172 WeakPolarHBondContact OH-CA 3.39Å; Y121-A172 WeakPolarHBondContact OH-CB 3.2Å; E166-A172 HydrophobicContact CB-CB 4.08Å; E166-A172 PolarHBondContact O-N 3.28Å; Q167-A172 HydrophobicContact CB-CB 3.95Å; A172-L194 HydrophobicContact CB-CB 3.98Å; A172-L194 HydrophobicContact CB-CD2 4.07Å; A172-L194 WeakPolarHBondContact O-CB 3.45Å; A172-L194 PolarHBondContact O-N 3.03Å | ||
| 173 | Q | 96 | Very high | 91.4 | Very high | 90 Ų | 90 | 58.8 Ų | 58.8 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.8 | 179.4 | -64.4 | -171 | -29.6 | 0 | 0 | 111.3 | Y121 V171 V192 D193 | Y121-Q173 WeakPolarHBondContact CD2-O 2.79Å; Y121-Q173 WeakPolarHBondContact CE2-O 3.26Å; V171-Q173 PolarHBondContact O-N 2.94Å; Q173-V192 CarbonylContact C-O 3.54Å; Q173-V192 WeakPolarHBondContact CA-O 3.44Å; Q173-D193 WeakPolarHBondContact CG-OD1 3.09Å; Q173-D193 PolarHBondContact NE2-OD1 2.89Å |
| 174 | L | 95.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.4 | 171 | -70 | 168.6 | 0 | 0 | 0 | 110 | L75 F95 V119 Y121 L126 S191 V192 L194 | L75-L174 HydrophobicContact CD2-CD1 3.84Å; F95-L174 HydrophobicContact CD1-CD1 3.87Å; F95-L174 HydrophobicContact CE1-CD1 3.65Å; F95-L174 HydrophobicContact CE1-CD2 4.13Å; F95-L174 HydrophobicContact CZ-CD2 4.39Å; V119-L174 HydrophobicContact CG1-CB 4.39Å; V119-L174 HydrophobicContact CG1-CD1 4.29Å; V119-L174 HydrophobicContact CG1-CD2 3.94Å; V119-L174 HydrophobicContact CG1-CG 4.46Å; Y121-L174 HydrophobicContact CD2-CD2 3.87Å; L126-L174 HydrophobicContact CD1-CD2 3.99Å; L174-S191 CarbonylContact O-C 3.6Å; L174-S191 VanDerWaalsContact O-CA 3.32Å; L174-S191 WeakPolarHBondContact O-CA 3.46Å; L174-V192 PolarHBondContact N-O 3.27Å; L174-V192 PolarHBondContact O-N 2.91Å; L174-L194 HydrophobicContact CD1-CD1 3.5Å; L174-L194 HydrophobicContact CD2-CD1 4.3Å; L174-L194 HydrophobicContact CG-CD1 3.86Å |
| 175 | D | 97.3 | Very high | 89.8 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 34% | 0.342 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 115.5 | 170.4 | -65.2 | -44.8 | 0 | 0 | 0 | 109.5 | S120 S191 | S120-D175 PolarHBondContact N-O 3.05Å; S120-D175 PolarHBondContact O-N 2.85Å; D175-S191 PolarHBondContact OD1-OG 3.18Å |
| 176 | I | 97.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 116.8 | 178.5 | -56.3 | 173.8 | 0 | 0 | 0 | 108.2 | V73 L97 V117 K118 Y189 W190 V192 | V73-I176 HydrophobicContact CG1-CD1 4.1Å; V73-I176 HydrophobicContact CG2-CD1 3.86Å; V73-I176 HydrophobicContact CG2-CG2 4.41Å; L97-I176 HydrophobicContact CD1-CD1 4.35Å; L97-I176 HydrophobicContact CD1-CG2 4.09Å; L97-I176 HydrophobicContact CD2-CD1 3.69Å; V117-I176 HydrophobicContact CG1-CG2 3.99Å; K118-I176 WeakPolarHBondContact O-CA 3.43Å; I176-Y189 WeakPolarHBondContact O-CA 3.28Å; I176-W190 HydrophobicContact CB-CE3 4.36Å; I176-W190 HydrophobicContact CG2-CE3 4.19Å; I176-W190 HydrophobicContact CG2-CZ3 4.48Å; I176-W190 PolarHBondContact N-O 3.42Å; I176-W190 PolarHBondContact O-N 3.45Å; I176-V192 HydrophobicContact CD1-CB 4.29Å; I176-V192 HydrophobicContact CD1-CG2 3.8Å |
| 177 | G | 95.7 | Very high | 89.2 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 13% | 0.134 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V117 K118 Y188 | V117-G177 CarbonylContact C-O 3.51Å; V117-G177 VanDerWaalsContact CA-O 3.31Å; V117-G177 WeakPolarHBondContact CA-O 3.5Å; K118-G177 PolarHBondContact N-O 3.18Å; K118-G177 PolarHBondContact O-N 3.34Å; G177-Y188 CarbonylContact C-O 3.52Å; G177-Y188 WeakPolarHBondContact CA-O 3.29Å |
| 178 | L | 94.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.4 | 168.7 | 170 | 69.7 | 0 | 0 | 0 | 108.8 | L99 L101 V117 T131 L180 S187 Y188 W190 | L99-L178 HydrophobicContact CD1-CD1 4.01Å; L99-L178 HydrophobicContact CD1-CD2 4.11Å; L101-L178 HydrophobicContact CD2-CD2 4.33Å; V117-L178 HydrophobicContact CG2-CD1 3.62Å; T131-L178 HydrophobicContact CG2-CD1 3.72Å; L178-L180 HydrophobicContact CD1-CD2 3.79Å; L178-L180 HydrophobicContact CD1-CG 4.22Å; L178-L180 HydrophobicContact CD2-CD1 4.08Å; L178-L180 HydrophobicContact CD2-CD2 4.08Å; L178-L180 HydrophobicContact CD2-CG 3.94Å; L178-L180 HydrophobicContact CG-CD2 4.06Å; L178-L180 HydrophobicContact CG-CG 3.95Å; L178-S187 CarbonylContact O-C 3.5Å; L178-S187 VanDerWaalsContact O-CA 3.31Å; L178-S187 WeakPolarHBondContact O-CA 3.27Å; L178-Y188 HydrophobicContact CD2-CD2 4.07Å; L178-Y188 HydrophobicContact CG-CD2 4.42Å; L178-Y188 PolarHBondContact N-O 3.49Å; L178-Y188 PolarHBondContact O-N 2.88Å; L178-W190 HydrophobicContact CB-CH2 3.85Å; L178-W190 HydrophobicContact CB-CZ3 3.56Å; L178-W190 HydrophobicContact CD2-CH2 3.87Å; L178-W190 HydrophobicContact CD2-CZ3 4.41Å |
| 179 | Q | 93.1 | Very high | 89.4 | Confident | 58 Ų | 58 | 64.2 Ų | 64.2 | 27% | 0.271 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.6 | 170.1 | 176.6 | 164.1 | 69 | 0 | 0 | 108.9 | G115 S116 G184 E186 | G115-Q179 CarbonylContact C-O 3.6Å; G115-Q179 WeakPolarHBondContact CA-O 2.97Å; S116-Q179 PolarHBondContact N-O 3.48Å; S116-Q179 PolarHBondContact O-N 3.28Å; Q179-G184 VanDerWaalsContact NE2-N 3.12Å; Q179-E186 WeakPolarHBondContact CA-O 3.22Å |
| 180 | L | 89.5 | Confident | 89.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 139.3 | 179.8 | -66.8 | 178.5 | 0 | 0 | 0 | 111.1 | R112 F134 L178 E186 Y188 | R112-L180 HydrophobicContact CG-CB 4.5Å; R112-L180 HydrophobicContact CG-CD1 4.28Å; F134-L180 HydrophobicContact CE1-CD1 4.31Å; F134-L180 HydrophobicContact CE1-CD2 3.88Å; F134-L180 HydrophobicContact CZ-CD1 3.84Å; F134-L180 HydrophobicContact CZ-CD2 4.24Å; L178-L180 HydrophobicContact CD1-CD2 3.79Å; L178-L180 HydrophobicContact CD1-CG 4.22Å; L178-L180 HydrophobicContact CD2-CD1 4.08Å; L178-L180 HydrophobicContact CD2-CD2 4.08Å; L178-L180 HydrophobicContact CD2-CG 3.94Å; L178-L180 HydrophobicContact CG-CD2 4.06Å; L178-L180 HydrophobicContact CG-CG 3.95Å; L180-E186 HydrophobicContact CB-CB 4.31Å; L180-E186 PolarHBondContact N-O 2.9Å; L180-Y188 HydrophobicContact CD1-CD2 4.44Å; L180-Y188 HydrophobicContact CD1-CE2 3.89Å |
| 181 | G | 81.8 | Confident | 89.7 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 66.3 | -141.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G114 | G114-G181 PolarHBondContact O-N 2.95Š|
| 182 | W | 76.8 | Confident | 89.7 | Confident | 181 Ų | 181 | 58 Ų | 58 | 69% | 0.686 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -68.8 | 145.5 | -178.2 | -74.6 | 87.1 | 0 | 0 | 0 | 112.3 | G184 W185 | W182-G184 PolarHBondContact O-N 3.12Å; W182-W185 HydrophobicContact CB-CE3 4.46Å; W182-W185 VanDerWaalsContact O-CB 3.25Å; W182-W185 WeakPolarHBondContact O-CB 3.23Å; W182-W185 PolarHBondContact O-N 3.23Å |
| 183 | P | 69.9 | Low | 89.7 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 68% | 0.682 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 126.8 | 177.2 | -27.5 | 34.8 | 0 | 0 | 0 | 112.5 | ||
| 184 | G | 70.8 | Confident | 89.4 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 68% | 0.68 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -0.1 | 180 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q179 W182 | Q179-G184 VanDerWaalsContact NE2-N 3.12Å; W182-G184 PolarHBondContact O-N 3.12Å |
| 185 | W | 79.3 | Confident | 88.7 | Confident | 163 Ų | 163 | 62.2 Ų | 62.2 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -58.8 | -179.8 | -167.6 | 7.5 | 0 | 0 | 0 | 112.4 | W182 | W182-W185 HydrophobicContact CB-CE3 4.46Å; W182-W185 VanDerWaalsContact O-CB 3.25Å; W182-W185 WeakPolarHBondContact O-CB 3.23Å; W182-W185 PolarHBondContact O-N 3.23Å |
| 186 | E | 85.9 | Confident | 87 | Confident | 38 Ų | 38 | 64 Ų | 64 | 18% | 0.178 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 122.4 | 179.5 | -68.8 | -176.3 | 179.1 | 0 | 0 | 110.2 | R112 Q179 L180 Y188 | R112-E186 IonicContact CZ-OE1 2.65Å; R112-E186 IonicContact CZ-OE2 3.16Å; R112-E186 VanDerWaalsContact CZ-OE2 3.31Å; R112-E186 IonicContact NE-OE1 3.64Å; R112-E186 IonicContact NE-OE2 3.33Å; R112-E186 PolarHBondContact NE-OE2 2.82Å; R112-E186 VanDerWaalsContact NH2-CD 3.27Å; R112-E186 IonicContact NH2-OE1 2.68Å; R112-E186 PolarHBondContact NH2-OE1 2.74Å; R112-E186 IonicContact NH2-OE2 3.07Å; R112-E186 PolarHBondContact NH2-OE2 2.87Å; Q179-E186 WeakPolarHBondContact CA-O 3.22Å; L180-E186 HydrophobicContact CB-CB 4.31Å; L180-E186 PolarHBondContact N-O 2.9Å; E186-Y188 HydrophobicContact CB-CE2 4.33Å |
| 187 | S | 90.5 | Very high | 86.5 | Confident | 52 Ų | 52 | 67.2 Ų | 67.2 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 136.4 | 179.7 | -59.3 | 0 | 0 | 0 | 0 | 109.8 | L178 | L178-S187 CarbonylContact O-C 3.5Å; L178-S187 VanDerWaalsContact O-CA 3.31Å; L178-S187 WeakPolarHBondContact O-CA 3.27Å |
| 188 | Y | 92.9 | Very high | 86 | Confident | 38 Ų | 38 | 70.1 Ų | 70.1 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145.3 | 176.2 | -58.4 | -87.4 | 0 | 0 | 0 | 109.1 | I69 S71 G177 L178 L180 E186 W190 | I69-Y188 WeakPolarHBondContact CB-OH 3.38Å; I69-Y188 WeakPolarHBondContact O-CE1 3.35Å; I69-Y188 PolarHBondContact O-OH 2.89Å; S71-Y188 WeakPolarHBondContact OG-CD1 3.28Å; S71-Y188 WeakPolarHBondContact OG-CE1 3.39Å; S71-Y188 VanDerWaalsContact OG-CG 3.31Å; G177-Y188 CarbonylContact C-O 3.52Å; G177-Y188 WeakPolarHBondContact CA-O 3.29Å; L178-Y188 HydrophobicContact CD2-CD2 4.07Å; L178-Y188 HydrophobicContact CG-CD2 4.42Å; L178-Y188 PolarHBondContact N-O 3.49Å; L178-Y188 PolarHBondContact O-N 2.88Å; L180-Y188 HydrophobicContact CD1-CD2 4.44Å; L180-Y188 HydrophobicContact CD1-CE2 3.89Å; E186-Y188 HydrophobicContact CB-CE2 4.33Å; Y188-W190 VanDerWaalsContact CB-CH2 3.42Å; Y188-W190 HydrophobicContact CG-CH2 4.19Å; Y188-W190 HydrophobicContact CG-CZ2 4.33Å |
| 189 | Y | 95 | Very high | 85.5 | Confident | 179 Ų | 179 | 73.8 Ų | 73.8 | 70% | 0.702 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 133.6 | -178.4 | -65.8 | -84.5 | 0 | 0 | 0 | 108.8 | I176 | I176-Y189 WeakPolarHBondContact O-CA 3.28Å |
| 190 | W | 96.1 | Very high | 85.1 | Confident | 45 Ų | 45 | 74.8 Ų | 74.8 | 17% | 0.17 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146.3 | 174.2 | -53.2 | -90.3 | 0 | 0 | 0 | 109.3 | S71 V73 L99 I176 L178 Y188 V192 | S71-W190 PolarHBondContact O-NE1 2.91Å; S71-W190 VanDerWaalsContact O-NE1 3.16Å; S71-W190 WeakPolarHBondContact OG-CZ2 3.37Å; V73-W190 HydrophobicContact CB-CD2 4.11Å; V73-W190 HydrophobicContact CB-CE3 4.11Å; V73-W190 HydrophobicContact CB-CG 4.47Å; V73-W190 HydrophobicContact CB-CZ3 4.43Å; V73-W190 HydrophobicContact CG1-CB 3.52Å; V73-W190 HydrophobicContact CG1-CD2 3.53Å; V73-W190 HydrophobicContact CG1-CE3 3.76Å; V73-W190 HydrophobicContact CG1-CG 3.46Å; V73-W190 VanDerWaalsContact CG1-CG 3.46Å; L99-W190 HydrophobicContact CD2-CH2 4.08Å; L99-W190 HydrophobicContact CD2-CZ3 4.11Å; I176-W190 HydrophobicContact CB-CE3 4.36Å; I176-W190 HydrophobicContact CG2-CE3 4.19Å; I176-W190 HydrophobicContact CG2-CZ3 4.48Å; I176-W190 PolarHBondContact N-O 3.42Å; I176-W190 PolarHBondContact O-N 3.45Å; L178-W190 HydrophobicContact CB-CH2 3.85Å; L178-W190 HydrophobicContact CB-CZ3 3.56Å; L178-W190 HydrophobicContact CD2-CH2 3.87Å; L178-W190 HydrophobicContact CD2-CZ3 4.41Å; Y188-W190 VanDerWaalsContact CB-CH2 3.42Å; Y188-W190 HydrophobicContact CG-CH2 4.19Å; Y188-W190 HydrophobicContact CG-CZ2 4.33Å; W190-V192 HydrophobicContact CB-CG2 4.27Å |
| 191 | S | 96 | Very high | 84.8 | Confident | 72 Ų | 72 | 79.4 Ų | 79.4 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.6 | 164.8 | -56.2 | 0 | 0 | 0 | 0 | 106.9 | L174 D175 | L174-S191 CarbonylContact O-C 3.6Å; L174-S191 VanDerWaalsContact O-CA 3.32Å; L174-S191 WeakPolarHBondContact O-CA 3.46Å; D175-S191 PolarHBondContact OD1-OG 3.18Å |
| 192 | V | 95.3 | Very high | 85 | Confident | 26 Ų | 26 | 83.1 Ų | 83.1 | 16% | 0.158 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134 | -175.7 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | V73 L75 Q173 L174 I176 W190 L194 | V73-V192 HydrophobicContact CG1-CG2 3.62Å; L75-V192 HydrophobicContact CB-CG1 3.91Å; Q173-V192 CarbonylContact C-O 3.54Å; Q173-V192 WeakPolarHBondContact CA-O 3.44Å; L174-V192 PolarHBondContact N-O 3.27Å; L174-V192 PolarHBondContact O-N 2.91Å; I176-V192 HydrophobicContact CD1-CB 4.29Å; I176-V192 HydrophobicContact CD1-CG2 3.8Å; W190-V192 HydrophobicContact CB-CG2 4.27Å; V192-L194 PolarHBondContact O-N 3.42Å |
| 193 | D | 93.5 | Very high | 85.6 | Confident | 77 Ų | 77 | 76.1 Ų | 76.1 | 41% | 0.412 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 131.7 | 175.8 | -62.3 | -27.2 | 0 | 0 | 0 | 109.7 | Q173 D195 G196 | Q173-D193 WeakPolarHBondContact CG-OD1 3.09Å; Q173-D193 PolarHBondContact NE2-OD1 2.89Å; D193-D195 PolarHBondContact O-N 3Å; D193-G196 PolarHBondContact O-N 2.87Å |
| 194 | L | 89.5 | Confident | 86.8 | Confident | 10 Ų | 10 | 73.9 Ų | 73.9 | 5% | 0.052 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -24.1 | -176.4 | 179.1 | 62.3 | 0 | 0 | 0 | 112.3 | V78 L81 M163 A172 L174 V192 | V78-L194 HydrophobicContact CG2-CD1 4.19Å; L81-L194 HydrophobicContact CD2-CD1 4.16Å; L81-L194 HydrophobicContact CD2-CD2 4.05Å; M163-L194 HydrophobicContact CG-CD2 3.67Å; M163-L194 HydrophobicContact SD-CD2 3.94Å; A172-L194 HydrophobicContact CB-CB 3.98Å; A172-L194 HydrophobicContact CB-CD2 4.07Å; A172-L194 WeakPolarHBondContact O-CB 3.45Å; A172-L194 PolarHBondContact O-N 3.03Å; L174-L194 HydrophobicContact CD1-CD1 3.5Å; L174-L194 HydrophobicContact CD2-CD1 4.3Å; L174-L194 HydrophobicContact CG-CD1 3.86Å; V192-L194 PolarHBondContact O-N 3.42Å |
| 195 | D | 81.7 | Confident | 88.1 | Confident | 92 Ų | 92 | 74.6 Ų | 74.6 | 49% | 0.492 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -5.9 | -177.6 | -65.5 | -39.1 | 0 | 0 | 0 | 114.1 | Q167 D193 | Q167-D195 WeakPolarHBondContact CG-OD1 3.38Å; Q167-D195 PolarHBondContact NE2-OD1 2.82Å; D193-D195 PolarHBondContact O-N 3Å |
| 196 | G | 61.9 | Low | 88.9 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 100% | 1.062 | 39% | 0.386 | S | S | * | . | trans | 67.9 | 0 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D193 | D193-G196 PolarHBondContact O-N 2.87Š|
Retrieved 196 of 196 residues in 738.6 ms
(Link to these results)