| 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 | 36.5 | Very low | 47.4 | Very low | 249 Ų | 249 | 164.5 Ų | 164.5 | 100% | 1.227 | 86% | 0.855 | S | S | * | * | 0 | 138 | 0 | -75 | 168.5 | -179.9 | 0 | 0 | 108.5 | |||||
| 2 | A | 44.3 | Very low | 47.9 | Very low | 97 Ų | 97 | 162.3 Ų | 162.3 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | trans | -70.4 | 160.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3 | S | 39.7 | Very low | 48.3 | Very low | 124 Ų | 124 | 157.2 Ų | 157.2 | 87% | 0.867 | 84% | 0.841 | S | S | * | * | trans | -167.2 | 105.1 | 134.6 | 27.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 4 | V | 45.3 | Very low | 48.6 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | trans | -104.4 | 160.5 | 152.3 | 175.3 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 5 | P | 62.6 | Low | 48.5 | Very low | 106 Ų | 106 | 159.8 Ų | 159.8 | 69% | 0.688 | 84% | 0.837 | S | S | * | * | cis | -126.7 | 179.2 | -15.9 | 25.9 | -4.8 | 0 | 0 | 0 | 112.6 | ||||
| 6 | R | 48.8 | Very low | 48.6 | Very low | 252 Ų | 252 | 163.2 Ų | 163.2 | 95% | 0.951 | 84% | 0.835 | S | S | * | * | trans | -154.8 | 112.2 | 132 | -113 | 169.5 | -161.4 | -179.8 | 5.5 | 112.9 | ||||
| 7 | S | 50.7 | Low | 49 | Very low | 112 Ų | 112 | 158.4 Ų | 158.4 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -41.4 | 134.4 | 161.7 | 177.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 8 | A | 44.3 | Very low | 50 | Low | 88 Ų | 88 | 163.8 Ų | 163.8 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -157.5 | 61.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | R10 | A8-R10 PolarHBondContact O-N 3.02Š| ||
| 9 | R | 51.1 | Low | 50.7 | Low | 226 Ų | 226 | 159.7 Ų | 159.7 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -67.7 | 91.3 | 158.3 | -166.4 | -171.6 | -86.1 | -154 | -0.6 | 105.9 | K11 | R9-K11 PolarHBondContact O-N 3.39Š| ||
| 10 | R | 47.8 | Very low | 52.3 | Low | 248 Ų | 248 | 155.1 Ų | 155.1 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | trans | -62.3 | 100.3 | 172.3 | -86.9 | -167.2 | -166.9 | -153.6 | 4 | 107.8 | A8 | A8-R10 PolarHBondContact O-N 3.02Š| ||
| 11 | K | 50.1 | Low | 53.7 | Low | 170 Ų | 170 | 152.5 Ų | 152.5 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -67.5 | 128.6 | 163.8 | -80.8 | 176.3 | 172.8 | 178.2 | 0 | 108.8 | R9 | R9-K11 PolarHBondContact O-N 3.39Š| ||
| 12 | D | 54.1 | Low | 55.9 | Low | 138 Ų | 138 | 145.2 Ų | 145.2 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | 49.7 | 79.9 | 138.4 | -48.6 | -39.4 | 0 | 0 | 0 | 115.8 | T14 | D12-T14 PolarHBondContact O-N 3.35Å; D12-T14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | A | 52.1 | Low | 57.8 | Low | 96 Ų | 96 | 145.7 Ų | 145.7 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | trans | -62.9 | 110.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | R15 | A13-R15 PolarHBondContact O-N 2.7Š| ||
| 14 | T | 53.3 | Low | 60.1 | Low | 119 Ų | 119 | 146.9 Ų | 146.9 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | trans | -46.9 | 84.9 | 167.6 | 29.8 | 0 | 0 | 0 | 0 | 110.3 | D12 W16 | D12-T14 PolarHBondContact O-N 3.35Å; D12-T14 VanDerWaalsContact O-N 3.11Å; T14-W16 PolarHBondContact O-N 2.06Å | ||
| 15 | R | 47.3 | Very low | 62.2 | Low | 235 Ų | 235 | 142.6 Ų | 142.6 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | trans | -72.1 | 81.9 | 168.4 | -172.4 | 177.6 | -170.8 | -170.7 | 2.2 | 106.5 | A13 P17 | A13-R15 PolarHBondContact O-N 2.7Å; R15-P17 VanDerWaalsContact O-N 3.12Å | ||
| 16 | W | 49 | Very low | 63.5 | Low | 214 Ų | 214 | 141.7 Ų | 141.7 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | trans | -52.5 | 121.6 | 163.1 | -78.2 | 75.7 | 0 | 0 | 0 | 106.3 | T14 R18 | T14-W16 PolarHBondContact O-N 2.06Å; W16-R18 PolarHBondContact O-N 3.43Å; W16-R18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | P | 56.7 | Low | 65.5 | Low | 82 Ų | 82 | 132.5 Ų | 132.5 | 53% | 0.532 | 67% | 0.666 | S | S | . | * | trans | -58.3 | 126.9 | -179.5 | 25.8 | -32.6 | 0 | 0 | 0 | 105.9 | R15 M19 | R15-P17 VanDerWaalsContact O-N 3.12Å; P17-M19 HydrophobicContact CB-CE 3.68Å; P17-M19 HydrophobicContact CG-CE 3.56Å; P17-M19 HydrophobicContact CG-CG 4.4Å; P17-M19 PolarHBondContact O-N 3Å | ||
| 18 | R | 66 | Low | 67.4 | Low | 255 Ų | 255 | 132.7 Ų | 132.7 | 96% | 0.962 | 66% | 0.657 | S | S | * | * | trans | -67.9 | 79.7 | 176.5 | -155.5 | 172.8 | -178.6 | -176.7 | -0.4 | 105.6 | W16 S20 | W16-R18 PolarHBondContact O-N 3.43Å; W16-R18 VanDerWaalsContact O-N 3.08Å; R18-S20 PolarHBondContact O-N 2.8Å | ||
| 19 | M | 64.6 | Low | 69.5 | Low | 87 Ų | 87 | 134.5 Ų | 134.5 | 43% | 0.429 | 65% | 0.654 | S | S | . | * | trans | -57.8 | 133.3 | -175.8 | -81.6 | -73.7 | 136.4 | 0 | 0 | 107.4 | P17 F23 | P17-M19 HydrophobicContact CB-CE 3.68Å; P17-M19 HydrophobicContact CG-CE 3.56Å; P17-M19 HydrophobicContact CG-CG 4.4Å; P17-M19 PolarHBondContact O-N 3Å; M19-F23 HydrophobicContact CB-CB 4.49Å; M19-F23 HydrophobicContact CB-CD1 3.83Å; M19-F23 HydrophobicContact CB-CG 4.42Å; M19-F23 HydrophobicContact CG-CD1 4.07Å; M19-F23 HydrophobicContact CG-CE1 4.31Å; M19-F23 HydrophobicContact SD-CD1 4.11Å; M19-F23 HydrophobicContact SD-CE1 4.34Å; M19-F23 HydrophobicContact SD-CG 4.25Å | ||
| 20 | S | 81.3 | Confident | 71.3 | Confident | 66 Ų | 66 | 127.2 Ų | 127.2 | 46% | 0.462 | 64% | 0.635 | S | S | . | * | trans | -49.3 | 143.2 | -176.1 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | R18 T22 F23 W24 | R18-S20 PolarHBondContact O-N 2.8Å; S20-T22 WeakPolarHBondContact CB-OG1 3.05Å; S20-T22 PolarHBondContact O-N 3.15Å; S20-T22 PolarHBondContact OG-N 2.96Å; S20-T22 PolarHBondContact OG-OG1 2.9Å; S20-F23 WeakPolarHBondContact O-CB 3.13Å; S20-F23 PolarHBondContact O-N 3.43Å; S20-W24 PolarHBondContact O-N 3.2Å | ||
| 21 | S | 81.3 | Confident | 73.1 | Confident | 101 Ų | 101 | 117.7 Ų | 117.7 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -53.2 | -29.3 | 175 | -171.9 | 0 | 0 | 0 | 0 | 112 | A25 | S21-A25 WeakPolarHBondContact O-CB 3.45Å; S21-A25 PolarHBondContact O-N 3.04Å |
| 22 | T | 82.8 | Confident | 74.6 | Confident | 96 Ų | 96 | 114.7 Ų | 114.7 | 59% | 0.589 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.6 | -36 | 175.5 | 56 | 0 | 0 | 0 | 0 | 112.7 | S20 A25 V26 | S20-T22 WeakPolarHBondContact CB-OG1 3.05Å; S20-T22 PolarHBondContact O-N 3.15Å; S20-T22 PolarHBondContact OG-N 2.96Å; S20-T22 PolarHBondContact OG-OG1 2.9Å; T22-A25 PolarHBondContact O-N 2.76Å; T22-V26 WeakPolarHBondContact O-CB 3.38Å; T22-V26 VanDerWaalsContact O-CG2 3.23Å; T22-V26 WeakPolarHBondContact O-CG2 3.36Å; T22-V26 PolarHBondContact O-N 3.25Å |
| 23 | F | 85.9 | Confident | 75.9 | Confident | 107 Ų | 107 | 113.5 Ų | 113.5 | 47% | 0.469 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.8 | -46.5 | 176.8 | 179.1 | -97.3 | 0 | 0 | 0 | 110.9 | M19 S20 A25 V26 V27 | M19-F23 HydrophobicContact CB-CB 4.49Å; M19-F23 HydrophobicContact CB-CD1 3.83Å; M19-F23 HydrophobicContact CB-CG 4.42Å; M19-F23 HydrophobicContact CG-CD1 4.07Å; M19-F23 HydrophobicContact CG-CE1 4.31Å; M19-F23 HydrophobicContact SD-CD1 4.11Å; M19-F23 HydrophobicContact SD-CE1 4.34Å; M19-F23 HydrophobicContact SD-CG 4.25Å; S20-F23 WeakPolarHBondContact O-CB 3.13Å; S20-F23 PolarHBondContact O-N 3.43Å; F23-A25 PolarHBondContact O-N 2.9Å; F23-V26 PolarHBondContact O-N 3.37Å; F23-V27 HydrophobicContact CD1-CG2 4.32Å; F23-V27 HydrophobicContact CE1-CG2 4Å; F23-V27 HydrophobicContact CE2-CG2 4.46Å; F23-V27 HydrophobicContact CZ-CG2 4.08Å; F23-V27 VanDerWaalsContact O-CG2 3.3Å; F23-V27 WeakPolarHBondContact O-CG2 3.05Å; F23-V27 PolarHBondContact O-N 3.09Å |
| 24 | W | 87.4 | Confident | 77.2 | Confident | 150 Ų | 150 | 114.3 Ų | 114.3 | 57% | 0.568 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.5 | -38.9 | 175.2 | -72.7 | 105.1 | 0 | 0 | 0 | 112.6 | S20 V27 L28 | S20-W24 PolarHBondContact O-N 3.2Å; W24-V27 PolarHBondContact O-N 2.98Å; W24-L28 WeakPolarHBondContact O-CB 3.39Å; W24-L28 WeakPolarHBondContact O-CG 3.22Å; W24-L28 PolarHBondContact O-N 3.01Å |
| 25 | A | 88.8 | Confident | 78.2 | Confident | 46 Ų | 46 | 114.3 Ų | 114.3 | 38% | 0.38 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S21 T22 F23 L28 L29 | S21-A25 WeakPolarHBondContact O-CB 3.45Å; S21-A25 PolarHBondContact O-N 3.04Å; T22-A25 PolarHBondContact O-N 2.76Å; F23-A25 PolarHBondContact O-N 2.9Å; A25-L28 PolarHBondContact O-N 2.89Å; A25-L29 WeakPolarHBondContact O-CB 3.43Å; A25-L29 PolarHBondContact O-N 2.04Å |
| 26 | V | 90.4 | Very high | 79.3 | Confident | 88 Ų | 88 | 111.1 Ų | 111.1 | 53% | 0.533 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.3 | -40.7 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | T22 F23 L29 T30 | T22-V26 WeakPolarHBondContact O-CB 3.38Å; T22-V26 VanDerWaalsContact O-CG2 3.23Å; T22-V26 WeakPolarHBondContact O-CG2 3.36Å; T22-V26 PolarHBondContact O-N 3.25Å; F23-V26 PolarHBondContact O-N 3.37Å; V26-L29 PolarHBondContact O-N 2.88Å; V26-T30 HydrophobicContact CG1-CG2 4.28Å; V26-T30 WeakPolarHBondContact O-CB 3.39Å; V26-T30 VanDerWaalsContact O-CG2 3.27Å; V26-T30 WeakPolarHBondContact O-CG2 3.43Å; V26-T30 PolarHBondContact O-N 2.83Å; V26-T30 PolarHBondContact O-OG1 3.37Å |
| 27 | V | 90.8 | Very high | 80.1 | Confident | 59 Ų | 59 | 106.1 Ų | 106.1 | 36% | 0.358 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.8 | -43.1 | 175.4 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | F23 W24 T30 A31 | F23-V27 HydrophobicContact CD1-CG2 4.32Å; F23-V27 HydrophobicContact CE1-CG2 4Å; F23-V27 HydrophobicContact CE2-CG2 4.46Å; F23-V27 HydrophobicContact CZ-CG2 4.08Å; F23-V27 VanDerWaalsContact O-CG2 3.3Å; F23-V27 WeakPolarHBondContact O-CG2 3.05Å; F23-V27 PolarHBondContact O-N 3.09Å; W24-V27 PolarHBondContact O-N 2.98Å; V27-T30 WeakPolarHBondContact CA-OG1 3.4Å; V27-T30 PolarHBondContact O-OG1 2.9Å; V27-A31 VanDerWaalsContact O-CB 3.25Å; V27-A31 WeakPolarHBondContact O-CB 2.92Å; V27-A31 PolarHBondContact O-N 3.49Å |
| 28 | L | 90.3 | Very high | 80.4 | Confident | 115 Ų | 115 | 104.8 Ų | 104.8 | 60% | 0.602 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65 | -44 | 176.3 | -77.2 | 166.7 | 0 | 0 | 0 | 111.8 | W24 A25 A31 L32 | W24-L28 WeakPolarHBondContact O-CB 3.39Å; W24-L28 WeakPolarHBondContact O-CG 3.22Å; W24-L28 PolarHBondContact O-N 3.01Å; A25-L28 PolarHBondContact O-N 2.89Å; L28-A31 PolarHBondContact O-N 3.48Å; L28-L32 WeakPolarHBondContact O-CB 3.19Å; L28-L32 PolarHBondContact O-N 2.9Å |
| 29 | L | 89.8 | Confident | 80.5 | Confident | 126 Ų | 126 | 99.2 Ų | 99.2 | 66% | 0.66 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.1 | -44.7 | 177.1 | -105 | 147.5 | 0 | 0 | 0 | 112.2 | A25 V26 L32 L33 | A25-L29 WeakPolarHBondContact O-CB 3.43Å; A25-L29 PolarHBondContact O-N 2.04Å; V26-L29 PolarHBondContact O-N 2.88Å; L29-L32 PolarHBondContact O-N 2.86Å; L29-L33 WeakPolarHBondContact O-CB 3.02Å; L29-L33 PolarHBondContact O-N 2.92Å |
| 30 | T | 87.2 | Confident | 80.7 | Confident | 73 Ų | 73 | 97.3 Ų | 97.3 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 177.8 | 51 | 0 | 0 | 0 | 0 | 111.3 | V26 V27 L33 V34 | V26-T30 HydrophobicContact CG1-CG2 4.28Å; V26-T30 WeakPolarHBondContact O-CB 3.39Å; V26-T30 VanDerWaalsContact O-CG2 3.27Å; V26-T30 WeakPolarHBondContact O-CG2 3.43Å; V26-T30 PolarHBondContact O-N 2.83Å; V26-T30 PolarHBondContact O-OG1 3.37Å; V27-T30 WeakPolarHBondContact CA-OG1 3.4Å; V27-T30 PolarHBondContact O-OG1 2.9Å; T30-L33 PolarHBondContact O-N 3.34Å; T30-V34 VanDerWaalsContact O-CG2 3.26Å; T30-V34 WeakPolarHBondContact O-CG2 3.44Å; T30-V34 PolarHBondContact O-N 3.49Å |
| 31 | A | 85.4 | Confident | 80.5 | Confident | 49 Ų | 49 | 97.4 Ų | 97.4 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.6 | -44.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | V27 L28 L33 V34 L35 | V27-A31 VanDerWaalsContact O-CB 3.25Å; V27-A31 WeakPolarHBondContact O-CB 2.92Å; V27-A31 PolarHBondContact O-N 3.49Å; L28-A31 PolarHBondContact O-N 3.48Å; A31-L33 PolarHBondContact O-N 3.44Å; A31-V34 PolarHBondContact O-N 3.16Å; A31-L35 WeakPolarHBondContact O-CB 3.31Å; A31-L35 VanDerWaalsContact O-CG 3.28Å; A31-L35 WeakPolarHBondContact O-CG 3.29Å; A31-L35 PolarHBondContact O-N 3.1Å |
| 32 | L | 83.3 | Confident | 80.4 | Confident | 107 Ų | 107 | 96.2 Ų | 96.2 | 56% | 0.56 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 176.2 | -128 | 97.1 | 0 | 0 | 0 | 111.5 | L28 L29 L35 Y36 | L28-L32 WeakPolarHBondContact O-CB 3.19Å; L28-L32 PolarHBondContact O-N 2.9Å; L29-L32 PolarHBondContact O-N 2.86Å; L32-L35 PolarHBondContact O-N 3.4Å; L32-Y36 WeakPolarHBondContact O-CB 3.33Å; L32-Y36 PolarHBondContact O-N 2.77Å |
| 33 | L | 81.4 | Confident | 80.3 | Confident | 113 Ų | 113 | 93.3 Ų | 93.3 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.1 | -43.1 | -179.8 | -170.4 | 73.6 | 0 | 0 | 0 | 111.6 | L29 T30 A31 L35 Y36 C37 | L29-L33 WeakPolarHBondContact O-CB 3.02Å; L29-L33 PolarHBondContact O-N 2.92Å; T30-L33 PolarHBondContact O-N 3.34Å; A31-L33 PolarHBondContact O-N 3.44Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.02Å; L33-Y36 PolarHBondContact O-N 2.88Å; L33-C37 WeakPolarHBondContact O-CB 3.18Å; L33-C37 PolarHBondContact O-N 3.45Å |
| 34 | V | 78.1 | Confident | 80.3 | Confident | 112 Ų | 112 | 91 Ų | 91 | 68% | 0.679 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -40.4 | 175.5 | 171 | 0 | 0 | 0 | 0 | 111.1 | T30 A31 Y36 | T30-V34 VanDerWaalsContact O-CG2 3.26Å; T30-V34 WeakPolarHBondContact O-CG2 3.44Å; T30-V34 PolarHBondContact O-N 3.49Å; A31-V34 PolarHBondContact O-N 3.16Å; V34-Y36 VanDerWaalsContact C-N 3.32Å; V34-Y36 PolarHBondContact O-N 2.95Å |
| 35 | L | 74.4 | Confident | 80.5 | Confident | 120 Ų | 120 | 85.3 Ų | 85.3 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65 | -35.4 | 175.1 | -74.4 | 166.3 | 0 | 0 | 0 | 112.5 | A31 L32 L33 | A31-L35 WeakPolarHBondContact O-CB 3.31Å; A31-L35 VanDerWaalsContact O-CG 3.28Å; A31-L35 WeakPolarHBondContact O-CG 3.29Å; A31-L35 PolarHBondContact O-N 3.1Å; L32-L35 PolarHBondContact O-N 3.4Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.02Å |
| 36 | Y | 71.4 | Confident | 80.5 | Confident | 167 Ų | 167 | 89 Ų | 89 | 66% | 0.655 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -79 | -43.5 | -178.3 | -120.1 | -95.7 | 0 | 0 | 0 | 113.2 | L32 L33 V34 G38 Q39 | L32-Y36 WeakPolarHBondContact O-CB 3.33Å; L32-Y36 PolarHBondContact O-N 2.77Å; L33-Y36 PolarHBondContact O-N 2.88Å; V34-Y36 VanDerWaalsContact C-N 3.32Å; V34-Y36 PolarHBondContact O-N 2.95Å; Y36-G38 PolarHBondContact O-N 3.46Å; Y36-G38 VanDerWaalsContact O-N 3.12Å; Y36-Q39 PolarHBondContact O-N 3.48Å; Y36-Q39 VanDerWaalsContact O-N 3.15Å |
| 37 | C | 64.3 | Low | 80.5 | Confident | 109 Ų | 109 | 88.3 Ų | 88.3 | 74% | 0.736 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.7 | -16.4 | -179.2 | -84 | 0 | 0 | 0 | 0 | 114.1 | L33 | L33-C37 WeakPolarHBondContact O-CB 3.18Å; L33-C37 PolarHBondContact O-N 3.45Å |
| 38 | G | 64.4 | Low | 80.4 | Confident | 54 Ų | 54 | 88.8 Ų | 88.8 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y36 | Y36-G38 PolarHBondContact O-N 3.46Å; Y36-G38 VanDerWaalsContact O-N 3.12Å |
| 39 | Q | 67 | Low | 80.2 | Confident | 139 Ų | 139 | 86.8 Ų | 86.8 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | trans | -91 | 112.5 | -174.9 | -61.9 | -169.8 | 3 | 0 | 0 | 111 | Y36 | Y36-Q39 PolarHBondContact O-N 3.48Å; Y36-Q39 VanDerWaalsContact O-N 3.15Å | ||
| 40 | L | 69.4 | Low | 80.1 | Confident | 47 Ų | 47 | 86.3 Ų | 86.3 | 25% | 0.246 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 142 | 168.9 | -78.9 | 134.9 | 0 | 0 | 0 | 110.3 | E46 R67 A69 | L40-E46 HydrophobicContact CD2-CB 3.76Å; L40-R67 HydrophobicContact CD1-CB 3.47Å; L40-R67 VanDerWaalsContact CD1-CB 3.47Å; L40-A69 HydrophobicContact CB-CB 3.7Å |
| 41 | A | 76.7 | Confident | 80 | Confident | 67 Ų | 67 | 87.6 Ų | 87.6 | 55% | 0.554 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 139.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | G43 T44 | A41-G43 PolarHBondContact O-N 3.09Å; A41-G43 VanDerWaalsContact O-N 3.15Å; A41-T44 HydrophobicContact CB-CG2 3.94Å; A41-T44 PolarHBondContact O-N 3.43Å; A41-T44 VanDerWaalsContact O-N 3.07Å; A41-T44 PolarHBondContact O-OG1 2.9Å |
| 42 | A | 79.3 | Confident | 80 | Confident | 77 Ų | 77 | 92.3 Ų | 92.3 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 120.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 43 | G | 80.4 | Confident | 80.2 | Confident | 34 Ų | 34 | 90.6 Ų | 90.6 | 35% | 0.351 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.8 | 3.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A41 A69 | A41-G43 PolarHBondContact O-N 3.09Å; A41-G43 VanDerWaalsContact O-N 3.15Å; G43-A69 WeakPolarHBondContact CA-O 3.45Å; G43-A69 PolarHBondContact N-O 2.84Å |
| 44 | T | 86.4 | Confident | 80.3 | Confident | 58 Ų | 58 | 89.3 Ų | 89.3 | 36% | 0.356 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 151.8 | -178.2 | 70.3 | 0 | 0 | 0 | 0 | 113 | A41 C68 A69 | A41-T44 HydrophobicContact CB-CG2 3.94Å; A41-T44 PolarHBondContact O-N 3.43Å; A41-T44 VanDerWaalsContact O-N 3.07Å; A41-T44 PolarHBondContact O-OG1 2.9Å; T44-C68 WeakPolarHBondContact O-CA 3.38Å; T44-A69 PolarHBondContact O-N 2.83Å |
| 45 | C | 91.3 | Very high | 80.6 | Confident | 32 Ų | 32 | 88.1 Ų | 88.1 | 22% | 0.216 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.4 | 170.8 | -73.2 | 0 | 0 | 0 | 0 | 108.9 | R67 C68 P83 A84 | C45-R67 CarbonylContact C-O 3.59Å; C45-R67 VanDerWaalsContact CA-O 3.32Å; C45-R67 WeakPolarHBondContact CA-O 3.37Å; C45-C68 HydrophobicContact CB-CB 4.16Å; C45-C68 WeakPolarHBondContact CB-SG 3.4Å; C45-C68 WeakPolarHBondContact SG-CB 3.43Å; C45-C68 CovalentContact SG-SG 2.04Å; C45-C68 PolarHBondContact SG-SG 2.95Å; C45-P83 HydrophobicContact CB-CB 3.92Å; C45-P83 HydrophobicContact CB-CG 4.17Å; C45-P83 WeakPolarHBondContact CB-O 3.37Å; C45-A84 VanDerWaalsContact SG-C 3.58Å |
| 46 | E | 89.8 | Confident | 80.9 | Confident | 122 Ų | 122 | 87 Ų | 87 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.9 | 177.9 | -172.9 | 179 | -171.7 | 0 | 0 | 110.2 | L40 V48 A66 R67 | L40-E46 HydrophobicContact CD2-CB 3.76Å; E46-V48 PolarHBondContact O-N 2.85Å; E46-A66 CarbonylContact O-C 3.57Å; E46-A66 WeakPolarHBondContact O-CA 3.38Å; E46-A66 WeakPolarHBondContact O-CB 3.37Å; E46-R67 PolarHBondContact N-O 3.17Å; E46-R67 PolarHBondContact O-N 3.13Å |
| 47 | I | 89.6 | Confident | 81.1 | Confident | 75 Ų | 75 | 85.6 Ų | 85.6 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 117.1 | 177.5 | -58.9 | 168.1 | 0 | 0 | 0 | 108.2 | P83 | I47-P83 HydrophobicContact CD1-CG 4.29Å; I47-P83 HydrophobicContact CG1-CG 3.67Å |
| 48 | V | 88.4 | Confident | 81.9 | Confident | 69 Ų | 69 | 92.5 Ų | 92.5 | 42% | 0.418 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -40 | -177 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | E46 T65 R67 | E46-V48 PolarHBondContact O-N 2.85Å; V48-T65 PolarHBondContact N-O 2.89Å; V48-R67 HydrophobicContact CG2-CB 3.89Å; V48-R67 HydrophobicContact CG2-CG 3.53Å |
| 49 | T | 87.1 | Confident | 82.7 | Confident | 73 Ų | 73 | 97.1 Ų | 97.1 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 140.7 | 177.4 | 58.9 | 0 | 0 | 0 | 0 | 111 | T65 | T49-T65 PolarHBondContact N-O 2.76Å; T49-T65 PolarHBondContact O-N 2.88Å; T49-T65 WeakPolarHBondContact OG1-CB 3.31Å; T49-T65 PolarHBondContact OG1-OG1 3.09Å |
| 50 | L | 87.3 | Confident | 83.6 | Confident | 115 Ų | 115 | 93.6 Ų | 93.6 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 113.3 | 173.4 | 178.7 | 64.6 | 0 | 0 | 0 | 107.9 | Q64 | L50-Q64 HydrophobicContact CD1-CB 4.4Å; L50-Q64 HydrophobicContact CD1-CG 3.54Å |
| 51 | N | 85.8 | Confident | 84.3 | Confident | 100 Ų | 100 | 93.4 Ų | 93.4 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.2 | 175.4 | -173.3 | 1.7 | 0 | 0 | 0 | 109.3 | A62 R63 | N51-A62 CarbonylContact O-C 3.45Å; N51-R63 HydrophobicContact CB-CB 4.39Å; N51-R63 PolarHBondContact N-O 3.36Å; N51-R63 PolarHBondContact O-N 2.84Å |
| 52 | K | 85.1 | Confident | 84.7 | Confident | 148 Ų | 148 | 93.4 Ų | 93.4 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 115.5 | 179.6 | -174 | 179.6 | 177.7 | -176.5 | 0 | 108.5 | T60 | K52-T60 HydrophobicContact CD-CG2 4.22Å; K52-T60 VanDerWaalsContact CE-CG2 3.45Å; K52-T60 HydrophobicContact CG-CG2 3.72Å |
| 53 | D | 86.1 | Confident | 84.9 | Confident | 71 Ų | 71 | 97.6 Ų | 97.6 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.3 | 177.3 | -173.5 | -3.7 | 0 | 0 | 0 | 109.4 | S55 T60 I61 | D53-S55 WeakPolarHBondContact OD1-CB 3.15Å; D53-S55 PolarHBondContact OD1-N 3.49Å; D53-S55 PolarHBondContact OD1-OG 3.31Å; D53-S55 PolarHBondContact OD2-OG 2.98Å; D53-T60 WeakPolarHBondContact O-CA 3.35Å; D53-I61 HydrophobicContact CB-CB 4.41Å; D53-I61 PolarHBondContact N-O 2.79Å; D53-I61 PolarHBondContact O-N 2.72Å |
| 54 | S | 83.8 | Confident | 85.2 | Confident | 86 Ų | 86 | 101 Ų | 101 | 60% | 0.601 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 17.3 | 176.4 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | Q56 | S54-Q56 PolarHBondContact O-N 2.85Å |
| 55 | S | 84.3 | Confident | 85.3 | Confident | 88 Ų | 88 | 102 Ų | 102 | 62% | 0.615 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58 | -27.3 | 178.5 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | D53 | D53-S55 WeakPolarHBondContact OD1-CB 3.15Å; D53-S55 PolarHBondContact OD1-N 3.49Å; D53-S55 PolarHBondContact OD1-OG 3.31Å; D53-S55 PolarHBondContact OD2-OG 2.98Å |
| 56 | Q | 81.8 | Confident | 85.2 | Confident | 96 Ų | 96 | 102.3 Ų | 102.3 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121 | 175.5 | -66.7 | 177.3 | 19.9 | 0 | 0 | 111 | S54 R58 R59 | S54-Q56 PolarHBondContact O-N 2.85Å; Q56-R58 VanDerWaalsContact C-N 3.27Å; Q56-R58 PolarHBondContact O-N 2.83Å; Q56-R59 HydrophobicContact CB-CB 4.26Å; Q56-R59 WeakPolarHBondContact CB-O 3.2Å; Q56-R59 CarbonylContact O-C 3.55Å; Q56-R59 PolarHBondContact O-N 3.34Å; Q56-R59 VanDerWaalsContact O-N 3.14Å |
| 57 | P | 75.4 | Confident | 85.3 | Confident | 137 Ų | 137 | 104 Ų | 104 | 89% | 0.89 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.6 | -173.9 | 22.9 | -32.4 | 0 | 0 | 0 | 113.8 | ||
| 58 | R | 80.8 | Confident | 85.4 | Confident | 254 Ų | 254 | 102.3 Ų | 102.3 | 96% | 0.958 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -10.9 | 177.2 | -73.4 | -169.2 | -178.9 | 178.2 | 1.4 | 114.2 | Q56 | Q56-R58 VanDerWaalsContact C-N 3.27Å; Q56-R58 PolarHBondContact O-N 2.83Å |
| 59 | R | 81.7 | Confident | 85.5 | Confident | 152 Ų | 152 | 100.4 Ų | 100.4 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 121.1 | -171.9 | -173.9 | 179.9 | -177.3 | 178.5 | 1.7 | 111.2 | Q56 I61 | Q56-R59 HydrophobicContact CB-CB 4.26Å; Q56-R59 WeakPolarHBondContact CB-O 3.2Å; Q56-R59 CarbonylContact O-C 3.55Å; Q56-R59 PolarHBondContact O-N 3.34Å; Q56-R59 VanDerWaalsContact O-N 3.14Å; R59-I61 HydrophobicContact CG-CG1 4.32Å |
| 60 | T | 85.1 | Confident | 85.8 | Confident | 64 Ų | 64 | 98.8 Ų | 98.8 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126 | 168.7 | -47.3 | 0 | 0 | 0 | 0 | 109.5 | K52 D53 | K52-T60 HydrophobicContact CD-CG2 4.22Å; K52-T60 VanDerWaalsContact CE-CG2 3.45Å; K52-T60 HydrophobicContact CG-CG2 3.72Å; D53-T60 WeakPolarHBondContact O-CA 3.35Å |
| 61 | I | 84.4 | Confident | 86 | Confident | 43 Ų | 43 | 99.5 Ų | 99.5 | 22% | 0.221 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 113.9 | 175.4 | -58.9 | 175.4 | 0 | 0 | 0 | 107.7 | D53 R59 R63 | D53-I61 HydrophobicContact CB-CB 4.41Å; D53-I61 PolarHBondContact N-O 2.79Å; D53-I61 PolarHBondContact O-N 2.72Å; R59-I61 HydrophobicContact CG-CG1 4.32Å; I61-R63 HydrophobicContact CG2-CG 4.2Å |
| 62 | A | 84.6 | Confident | 86.3 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 56% | 0.562 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | N51 | N51-A62 CarbonylContact O-C 3.45Å |
| 63 | R | 84.8 | Confident | 86.5 | Confident | 164 Ų | 164 | 100.5 Ų | 100.5 | 62% | 0.619 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.7 | 174.3 | -65.1 | 179.1 | -177.9 | -91.2 | 1.9 | 108.4 | N51 I61 | N51-R63 HydrophobicContact CB-CB 4.39Å; N51-R63 PolarHBondContact N-O 3.36Å; N51-R63 PolarHBondContact O-N 2.84Å; I61-R63 HydrophobicContact CG2-CG 4.2Å |
| 64 | Q | 85.4 | Confident | 86.9 | Confident | 107 Ų | 107 | 101 Ų | 101 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.8 | 173.7 | -47.5 | -160.4 | -34.5 | 0 | 0 | 108.2 | L50 | L50-Q64 HydrophobicContact CD1-CB 4.4Å; L50-Q64 HydrophobicContact CD1-CG 3.54Å |
| 65 | T | 88.4 | Confident | 87.4 | Confident | 78 Ų | 78 | 100.3 Ų | 100.3 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.3 | 169.1 | -44.7 | 0 | 0 | 0 | 0 | 107.5 | V48 T49 | V48-T65 PolarHBondContact N-O 2.89Å; T49-T65 PolarHBondContact N-O 2.76Å; T49-T65 PolarHBondContact O-N 2.88Å; T49-T65 WeakPolarHBondContact OG1-CB 3.31Å; T49-T65 PolarHBondContact OG1-OG1 3.09Å |
| 66 | A | 90.3 | Very high | 87.8 | Confident | 39 Ų | 39 | 98.7 Ų | 98.7 | 32% | 0.322 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 145.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | E46 P83 | E46-A66 CarbonylContact O-C 3.57Å; E46-A66 WeakPolarHBondContact O-CA 3.38Å; E46-A66 WeakPolarHBondContact O-CB 3.37Å; A66-P83 HydrophobicContact CB-CB 3.55Å; A66-P83 HydrophobicContact CB-CG 3.72Å |
| 67 | R | 90.3 | Very high | 88.3 | Confident | 156 Ų | 156 | 94.9 Ų | 94.9 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.3 | 164.8 | -76.8 | 177.7 | -177.3 | 178.1 | -1.1 | 108 | L40 C45 E46 V48 | L40-R67 HydrophobicContact CD1-CB 3.47Å; L40-R67 VanDerWaalsContact CD1-CB 3.47Å; C45-R67 CarbonylContact C-O 3.59Å; C45-R67 VanDerWaalsContact CA-O 3.32Å; C45-R67 WeakPolarHBondContact CA-O 3.37Å; E46-R67 PolarHBondContact N-O 3.17Å; E46-R67 PolarHBondContact O-N 3.13Å; V48-R67 HydrophobicContact CG2-CB 3.89Å; V48-R67 HydrophobicContact CG2-CG 3.53Å |
| 68 | C | 91.6 | Very high | 89.1 | Confident | 41 Ų | 41 | 90 Ų | 90 | 28% | 0.277 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.2 | -179.2 | -71.3 | 0 | 0 | 0 | 0 | 110.2 | T44 C45 A76 | T44-C68 WeakPolarHBondContact O-CA 3.38Å; C45-C68 HydrophobicContact CB-CB 4.16Å; C45-C68 WeakPolarHBondContact CB-SG 3.4Å; C45-C68 WeakPolarHBondContact SG-CB 3.43Å; C45-C68 CovalentContact SG-SG 2.04Å; C45-C68 PolarHBondContact SG-SG 2.95Å; C68-A76 HydrophobicContact CB-CB 3.85Å |
| 69 | A | 92 | Very high | 89.7 | Confident | 29 Ų | 29 | 80.2 Ų | 80.2 | 24% | 0.24 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 87.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | L40 G43 T44 | L40-A69 HydrophobicContact CB-CB 3.7Å; G43-A69 WeakPolarHBondContact CA-O 3.45Å; G43-A69 PolarHBondContact N-O 2.84Å; T44-A69 PolarHBondContact O-N 2.83Å |
| 70 | C | 92.6 | Very high | 90.3 | Very high | 39 Ų | 39 | 79.7 Ų | 79.7 | 26% | 0.264 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 150 | -177 | -60.2 | 0 | 0 | 0 | 0 | 113 | Q74 I75 C85 | C70-Q74 HydrophobicContact CB-CB 3.92Å; C70-I75 VanDerWaalsContact SG-C 3.57Å; C70-C85 WeakPolarHBondContact CA-SG 3.27Å; C70-C85 HydrophobicContact CB-CB 3.8Å; C70-C85 WeakPolarHBondContact CB-SG 3.39Å; C70-C85 VanDerWaalsContact SG-CA 3.56Å; C70-C85 WeakPolarHBondContact SG-CB 3.37Å; C70-C85 CovalentContact SG-SG 2.05Å; C70-C85 PolarHBondContact SG-SG 3.15Å |
| 71 | K | 91.7 | Very high | 90.5 | Very high | 129 Ų | 129 | 79.1 Ų | 79.1 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 165 | 176.9 | -64.8 | 179.8 | -179 | 177.2 | 0 | 110.9 | G73 Q74 | K71-G73 PolarHBondContact O-N 3.04Å; K71-Q74 WeakPolarHBondContact O-CB 3.13Å; K71-Q74 PolarHBondContact O-N 2.87Å |
| 72 | K | 91.3 | Very high | 90.8 | Very high | 220 Ų | 220 | 85.8 Ų | 85.8 | 96% | 0.957 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 126.6 | 175.3 | -171 | 179 | -179.1 | -179 | 0 | 110.1 | ||
| 73 | G | 91.1 | Very high | 91.2 | Very high | 50 Ų | 50 | 83.9 Ų | 83.9 | 52% | 0.515 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -9.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K71 A88 | K71-G73 PolarHBondContact O-N 3.04Å; G73-A88 WeakPolarHBondContact O-CB 3.36Å; G73-A88 PolarHBondContact O-N 3.11Å; G73-A88 VanDerWaalsContact O-N 3.09Å |
| 74 | Q | 94.4 | Very high | 91.6 | Very high | 80 Ų | 80 | 77.3 Ų | 77.3 | 37% | 0.374 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 156.6 | 173.7 | -65.6 | -178.9 | -34.5 | 0 | 0 | 111.5 | C70 K71 C85 V86 | C70-Q74 HydrophobicContact CB-CB 3.92Å; K71-Q74 WeakPolarHBondContact O-CB 3.13Å; K71-Q74 PolarHBondContact O-N 2.87Å; Q74-C85 HydrophobicContact CB-CB 4.24Å; Q74-V86 CarbonylContact C-O 3.5Å; Q74-V86 WeakPolarHBondContact CA-O 3.05Å; Q74-V86 WeakPolarHBondContact CB-O 3.48Å |
| 75 | I | 92.6 | Very high | 92 | Very high | 73 Ų | 73 | 73.3 Ų | 73.3 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 157.4 | 174.5 | -167.3 | 165.6 | 0 | 0 | 0 | 109.7 | C70 G77 C85 V86 A88 V91 | C70-I75 VanDerWaalsContact SG-C 3.57Å; I75-G77 PolarHBondContact O-N 2.78Å; I75-C85 WeakPolarHBondContact O-CA 3.24Å; I75-V86 HydrophobicContact CG2-CG2 4.12Å; I75-V86 PolarHBondContact N-O 2.05Å; I75-V86 PolarHBondContact O-N 2.68Å; I75-A88 HydrophobicContact CB-CB 4.42Å; I75-A88 HydrophobicContact CG2-CB 4.29Å; I75-V91 HydrophobicContact CG2-CB 4Å; I75-V91 HydrophobicContact CG2-CG2 3.48Å; I75-V91 VanDerWaalsContact CG2-CG2 3.48Å |
| 76 | A | 93.1 | Very high | 92.3 | Very high | 54 Ų | 54 | 70 Ų | 70 | 45% | 0.446 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 129.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | C68 | C68-A76 HydrophobicContact CB-CB 3.85Å |
| 77 | G | 93.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 72.8 Ų | 72.8 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | -156.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | I75 P83 A84 | I75-G77 PolarHBondContact O-N 2.78Å; G77-P83 WeakPolarHBondContact O-CA 3.04Å; G77-A84 CarbonylContact C-O 3.43Å; G77-A84 PolarHBondContact N-O 3.07Å; G77-A84 PolarHBondContact O-N 3.2Å; G77-A84 VanDerWaalsContact O-O 3.13Å |
| 78 | T | 92.3 | Very high | 92.7 | Very high | 36 Ų | 36 | 66 Ų | 66 | 22% | 0.221 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 132.8 | -176.5 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | R82 M99 P101 W117 | T78-R82 CarbonylContact C-O 3.49Å; T78-R82 VanDerWaalsContact CA-O 3.28Å; T78-R82 WeakPolarHBondContact CA-O 3.36Å; T78-M99 WeakPolarHBondContact O-CG 3.32Å; T78-P101 WeakPolarHBondContact OG1-CB 3.14Å; T78-W117 HydrophobicContact CG2-CH2 4.29Å; T78-W117 HydrophobicContact CG2-CZ2 4.15Å; T78-W117 WeakPolarHBondContact OG1-CH2 3.49Å; T78-W117 WeakPolarHBondContact OG1-CZ2 3.43Å |
| 79 | T | 93.6 | Very high | 92.9 | Very high | 48 Ų | 48 | 65 Ų | 65 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131 | 174.9 | -58.9 | 0 | 0 | 0 | 0 | 108.1 | A81 R82 M99 V100 | T79-A81 PolarHBondContact O-N 3.36Å; T79-R82 PolarHBondContact N-O 2.95Å; T79-R82 PolarHBondContact O-N 2.94Å; T79-R82 VanDerWaalsContact O-O 3.09Å; T79-M99 PolarHBondContact OG1-O 3.25Å; T79-V100 CarbonylContact C-O 3.58Å; T79-V100 WeakPolarHBondContact CA-O 3.47Å |
| 80 | R | 92.8 | Very high | 93 | Very high | 141 Ų | 141 | 64.9 Ų | 64.9 | 53% | 0.532 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 52.3 | -179.4 | -65.7 | 177.8 | 170.9 | 164.1 | -1.7 | 113.5 | R82 V100 E104 | R80-R82 PolarHBondContact O-N 3.14Å; R80-R82 VanDerWaalsContact O-N 3.11Å; R80-V100 PolarHBondContact N-O 3.29Å; R80-E104 IonicContact CZ-OE1 2.9Å; R80-E104 IonicContact NE-OE1 2.72Å; R80-E104 PolarHBondContact NE-OE1 2.86Å; R80-E104 IonicContact NH2-OE1 3.88Å; R80-E104 PolarHBondContact NH2-OE1 3Å |
| 81 | A | 89.6 | Confident | 92.9 | Very high | 51 Ų | 51 | 64.7 Ų | 64.7 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 23.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | T79 P101 L103 | T79-A81 PolarHBondContact O-N 3.36Å; A81-P101 PolarHBondContact N-O 2.88Å; A81-L103 HydrophobicContact CB-CD2 4.48Å; A81-L103 HydrophobicContact CB-CG 4.39Å |
| 82 | R | 90.5 | Very high | 92.9 | Very high | 184 Ų | 184 | 68.6 Ų | 68.6 | 69% | 0.694 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 152.6 | 177.3 | -70.2 | -174.4 | 178 | 129.7 | -0.7 | 111.4 | T78 T79 R80 | T78-R82 CarbonylContact C-O 3.49Å; T78-R82 VanDerWaalsContact CA-O 3.28Å; T78-R82 WeakPolarHBondContact CA-O 3.36Å; T79-R82 PolarHBondContact N-O 2.95Å; T79-R82 PolarHBondContact O-N 2.94Å; T79-R82 VanDerWaalsContact O-O 3.09Å; R80-R82 PolarHBondContact O-N 3.14Å; R80-R82 VanDerWaalsContact O-N 3.11Å |
| 83 | P | 92.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 65.2 Ų | 65.2 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 135.3 | 175.4 | 30.4 | -36.2 | 0 | 0 | 0 | 110.5 | C45 I47 A66 G77 | C45-P83 HydrophobicContact CB-CB 3.92Å; C45-P83 HydrophobicContact CB-CG 4.17Å; C45-P83 WeakPolarHBondContact CB-O 3.37Å; I47-P83 HydrophobicContact CD1-CG 4.29Å; I47-P83 HydrophobicContact CG1-CG 3.67Å; A66-P83 HydrophobicContact CB-CB 3.55Å; A66-P83 HydrophobicContact CB-CG 3.72Å; G77-P83 WeakPolarHBondContact O-CA 3.04Å |
| 84 | A | 93.6 | Very high | 93.2 | Very high | 26 Ų | 26 | 69.2 Ų | 69.2 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 160.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | C45 G77 | C45-A84 VanDerWaalsContact SG-C 3.58Å; G77-A84 CarbonylContact C-O 3.43Å; G77-A84 PolarHBondContact N-O 3.07Å; G77-A84 PolarHBondContact O-N 3.2Å; G77-A84 VanDerWaalsContact O-O 3.13Å |
| 85 | C | 93.9 | Very high | 93.2 | Very high | 23 Ų | 23 | 68.4 Ų | 68.4 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 119.7 | 170.5 | -68.7 | 0 | 0 | 0 | 0 | 110 | C70 Q74 I75 | C70-C85 WeakPolarHBondContact CA-SG 3.27Å; C70-C85 HydrophobicContact CB-CB 3.8Å; C70-C85 WeakPolarHBondContact CB-SG 3.39Å; C70-C85 VanDerWaalsContact SG-CA 3.56Å; C70-C85 WeakPolarHBondContact SG-CB 3.37Å; C70-C85 CovalentContact SG-SG 2.05Å; C70-C85 PolarHBondContact SG-SG 3.15Å; Q74-C85 HydrophobicContact CB-CB 4.24Å; I75-C85 WeakPolarHBondContact O-CA 3.24Å |
| 86 | V | 94.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 66 Ų | 66 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 166 | -176.9 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | Q74 I75 A88 V91 M99 | Q74-V86 CarbonylContact C-O 3.5Å; Q74-V86 WeakPolarHBondContact CA-O 3.05Å; Q74-V86 WeakPolarHBondContact CB-O 3.48Å; I75-V86 HydrophobicContact CG2-CG2 4.12Å; I75-V86 PolarHBondContact N-O 2.05Å; I75-V86 PolarHBondContact O-N 2.68Å; V86-A88 PolarHBondContact O-N 2.88Å; V86-V91 HydrophobicContact CG2-CG2 4.11Å; V86-M99 HydrophobicContact CB-CB 4.29Å; V86-M99 HydrophobicContact CG1-CB 3.82Å |
| 87 | D | 95.3 | Very high | 93.4 | Very high | 96 Ų | 96 | 65.2 Ų | 65.2 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 128.9 | 175.6 | -171.7 | -23.8 | 0 | 0 | 0 | 110.7 | G89 I90 | D87-G89 PolarHBondContact O-N 2.75Å; D87-G89 VanDerWaalsContact O-N 3.17Å; D87-G89 PolarHBondContact OD1-N 2.04Å; D87-I90 HydrophobicContact CB-CD1 4.07Å; D87-I90 HydrophobicContact CB-CG1 4.18Å; D87-I90 WeakPolarHBondContact O-CB 3.43Å; D87-I90 PolarHBondContact O-N 3.39Å; D87-I90 VanDerWaalsContact O-N 3.1Å |
| 88 | A | 94.2 | Very high | 93.5 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -26.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G73 I75 V86 I90 V91 R92 | G73-A88 WeakPolarHBondContact O-CB 3.36Å; G73-A88 PolarHBondContact O-N 3.11Å; G73-A88 VanDerWaalsContact O-N 3.09Å; I75-A88 HydrophobicContact CB-CB 4.42Å; I75-A88 HydrophobicContact CG2-CB 4.29Å; V86-A88 PolarHBondContact O-N 2.88Å; A88-I90 VanDerWaalsContact C-N 3.33Å; A88-I90 PolarHBondContact O-N 2.63Å; A88-V91 PolarHBondContact O-N 2.84Å; A88-R92 WeakPolarHBondContact O-CB 3.47Å; A88-R92 VanDerWaalsContact O-CG 3.24Å; A88-R92 WeakPolarHBondContact O-CG 3.44Å; A88-R92 PolarHBondContact O-N 2.83Å |
| 89 | G | 94.8 | Very high | 93.6 | Very high | 22 Ų | 22 | 68.3 Ų | 68.3 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | D87 R92 K93 | D87-G89 PolarHBondContact O-N 2.75Å; D87-G89 VanDerWaalsContact O-N 3.17Å; D87-G89 PolarHBondContact OD1-N 2.04Å; G89-R92 PolarHBondContact O-N 2.82Å; G89-K93 WeakPolarHBondContact O-CB 3.28Å; G89-K93 VanDerWaalsContact O-CG 3.29Å; G89-K93 WeakPolarHBondContact O-CG 3.47Å; G89-K93 PolarHBondContact O-N 3.19Å |
| 90 | I | 94 | Very high | 93.7 | Very high | 26 Ų | 26 | 69.7 Ų | 69.7 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 179.8 | -63.1 | 171.1 | 0 | 0 | 0 | 110 | D87 A88 K93 R94 Q95 E98 M99 | D87-I90 HydrophobicContact CB-CD1 4.07Å; D87-I90 HydrophobicContact CB-CG1 4.18Å; D87-I90 WeakPolarHBondContact O-CB 3.43Å; D87-I90 PolarHBondContact O-N 3.39Å; D87-I90 VanDerWaalsContact O-N 3.1Å; A88-I90 VanDerWaalsContact C-N 3.33Å; A88-I90 PolarHBondContact O-N 2.63Å; I90-K93 PolarHBondContact O-N 2.93Å; I90-R94 PolarHBondContact O-N 2.9Å; I90-Q95 HydrophobicContact CG2-CB 4.37Å; I90-Q95 WeakPolarHBondContact CG2-O 3.33Å; I90-Q95 PolarHBondContact O-N 2.84Å; I90-E98 HydrophobicContact CD1-CB 4.29Å; I90-E98 HydrophobicContact CG1-CB 4.28Å; I90-E98 HydrophobicContact CG2-CB 4.1Å; I90-M99 HydrophobicContact CG2-CB 4.34Å; I90-M99 HydrophobicContact CG2-CG 4.48Å |
| 91 | V | 91.8 | Very high | 93.8 | Very high | 35 Ų | 35 | 63.1 Ų | 63.1 | 21% | 0.212 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 179.8 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | I75 V86 A88 K93 R94 W96 | I75-V91 HydrophobicContact CG2-CB 4Å; I75-V91 HydrophobicContact CG2-CG2 3.48Å; I75-V91 VanDerWaalsContact CG2-CG2 3.48Å; V86-V91 HydrophobicContact CG2-CG2 4.11Å; A88-V91 PolarHBondContact O-N 2.84Å; V91-K93 PolarHBondContact O-N 2.8Å; V91-R94 PolarHBondContact O-N 2.8Å; V91-R94 VanDerWaalsContact O-N 3.09Å; V91-W96 HydrophobicContact CB-CZ3 4.19Å; V91-W96 HydrophobicContact CG1-CH2 3.89Å; V91-W96 HydrophobicContact CG1-CZ3 3.82Å; V91-W96 HydrophobicContact CG2-CZ3 4.06Å |
| 92 | R | 92.1 | Very high | 94 | Very high | 211 Ų | 211 | 61 Ų | 61 | 80% | 0.796 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 178.1 | -76.1 | 174.7 | -177.8 | 171.3 | 1.3 | 112.7 | A88 G89 R94 | A88-R92 WeakPolarHBondContact O-CB 3.47Å; A88-R92 VanDerWaalsContact O-CG 3.24Å; A88-R92 WeakPolarHBondContact O-CG 3.44Å; A88-R92 PolarHBondContact O-N 2.83Å; G89-R92 PolarHBondContact O-N 2.82Å; R92-R94 PolarHBondContact O-N 3.48Å |
| 93 | K | 94.3 | Very high | 94.2 | Very high | 149 Ų | 149 | 55.9 Ų | 55.9 | 65% | 0.648 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -4.3 | 176.5 | -65.2 | 174.8 | -177.9 | 176.7 | 0 | 112.8 | G89 I90 V91 Q95 | G89-K93 WeakPolarHBondContact O-CB 3.28Å; G89-K93 VanDerWaalsContact O-CG 3.29Å; G89-K93 WeakPolarHBondContact O-CG 3.47Å; G89-K93 PolarHBondContact O-N 3.19Å; I90-K93 PolarHBondContact O-N 2.93Å; V91-K93 PolarHBondContact O-N 2.8Å; K93-Q95 HydrophobicContact CB-CG 3.78Å; K93-Q95 PolarHBondContact O-N 3.19Å |
| 94 | R | 93.6 | Very high | 94.1 | Very high | 134 Ų | 134 | 61 Ų | 61 | 51% | 0.506 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 33.8 | -176.4 | -51.9 | 179.1 | -175.6 | -178.6 | 0 | 112.6 | I90 V91 R92 W96 K114 | I90-R94 PolarHBondContact O-N 2.9Å; V91-R94 PolarHBondContact O-N 2.8Å; V91-R94 VanDerWaalsContact O-N 3.09Å; R92-R94 PolarHBondContact O-N 3.48Å; R94-W96 HydrophobicContact CB-CZ2 4.2Å; R94-W96 HydrophobicContact CG-CZ2 4.23Å; R94-W96 PolarHBondContact O-N 2.82Å; R94-W96 VanDerWaalsContact O-N 3.16Å; R94-K114 HydrophobicContact CB-CB 4.13Å |
| 95 | Q | 94.4 | Very high | 94 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | trans | -89.4 | 56.8 | -179.4 | -67.2 | 179.5 | -71.1 | 0 | 0 | 110.2 | I90 K93 C97 E98 | I90-Q95 HydrophobicContact CG2-CB 4.37Å; I90-Q95 WeakPolarHBondContact CG2-O 3.33Å; I90-Q95 PolarHBondContact O-N 2.84Å; K93-Q95 HydrophobicContact CB-CG 3.78Å; K93-Q95 PolarHBondContact O-N 3.19Å; Q95-C97 PolarHBondContact O-N 3.15Å; Q95-E98 HydrophobicContact CB-CB 4.37Å; Q95-E98 HydrophobicContact CB-CG 3.93Å; Q95-E98 PolarHBondContact NE2-OE1 2.92Å; Q95-E98 WeakPolarHBondContact O-CB 3.42Å; Q95-E98 PolarHBondContact O-N 3.49Å; Q95-E98 PolarHBondContact OE1-OE2 2.9Å | ||
| 96 | W | 94.5 | Very high | 94.1 | Very high | 22 Ų | 22 | 66.1 Ų | 66.1 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -57.7 | -26.8 | -166.1 | -50.4 | 113.1 | 0 | 0 | 0 | 115.3 | V91 R94 E98 M99 P101 L110 K114 G116 W117 A131 | V91-W96 HydrophobicContact CB-CZ3 4.19Å; V91-W96 HydrophobicContact CG1-CH2 3.89Å; V91-W96 HydrophobicContact CG1-CZ3 3.82Å; V91-W96 HydrophobicContact CG2-CZ3 4.06Å; R94-W96 HydrophobicContact CB-CZ2 4.2Å; R94-W96 HydrophobicContact CG-CZ2 4.23Å; R94-W96 PolarHBondContact O-N 2.82Å; R94-W96 VanDerWaalsContact O-N 3.16Å; W96-E98 VanDerWaalsContact C-N 3.32Å; W96-M99 HydrophobicContact CB-CE 3.75Å; W96-M99 HydrophobicContact CD2-CE 4.35Å; W96-M99 HydrophobicContact CE3-CE 3.67Å; W96-M99 HydrophobicContact CG-CE 4.43Å; W96-M99 WeakPolarHBondContact O-CE 3.06Å; W96-M99 WeakPolarHBondContact O-CG 3.44Å; W96-P101 WeakPolarHBondContact O-CD 3.16Å; W96-L110 HydrophobicContact CB-CD2 3.64Å; W96-L110 HydrophobicContact CG-CD2 4.09Å; W96-K114 PolarHBondContact NE1-O 2.8Å; W96-G116 VanDerWaalsContact CD1-C 3.49Å; W96-W117 HydrophobicContact CB-CB 4.02Å; W96-W117 HydrophobicContact CB-CD2 4.18Å; W96-W117 HydrophobicContact CB-CE3 3.65Å; W96-W117 HydrophobicContact CB-CG 4.36Å; W96-W117 HydrophobicContact CB-CZ3 4.47Å; W96-W117 HydrophobicContact CD2-CE3 4.11Å; W96-W117 HydrophobicContact CD2-CZ3 4.28Å; W96-W117 HydrophobicContact CE3-CE3 4.32Å; W96-W117 HydrophobicContact CE3-CZ3 4.07Å; W96-W117 AromaticContact CG-CE3 3.84Å; W96-W117 HydrophobicContact CG-CE3 3.84Å; W96-W117 HydrophobicContact CG-CZ3 4.47Å; W96-A131 HydrophobicContact CH2-CB 3.45Å; W96-A131 VanDerWaalsContact CH2-CB 3.45Å; W96-A131 HydrophobicContact CZ2-CB 3.75Å; W96-A131 HydrophobicContact CZ3-CB 3.96Å |
| 97 | C | 95.2 | Very high | 94.1 | Very high | 38 Ų | 38 | 67.5 Ų | 67.5 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -76.7 | -17.3 | 177.2 | -67.4 | 0 | 0 | 0 | 0 | 113.7 | Q95 M99 V100 C108 L110 | Q95-C97 PolarHBondContact O-N 3.15Å; C97-M99 VanDerWaalsContact C-N 3.26Å; C97-M99 PolarHBondContact O-N 3.49Å; C97-V100 PolarHBondContact O-N 3.35Å; C97-V100 VanDerWaalsContact O-N 3.09Å; C97-C108 WeakPolarHBondContact CA-SG 3.28Å; C97-C108 HydrophobicContact CB-CB 3.87Å; C97-C108 WeakPolarHBondContact CB-SG 3.04Å; C97-C108 WeakPolarHBondContact SG-CB 3.02Å; C97-C108 PolarHBondContact SG-O 2.93Å; C97-C108 CovalentContact SG-SG 2.06Å; C97-C108 PolarHBondContact SG-SG 3.23Å; C97-L110 HydrophobicContact CB-CD2 4.41Å |
| 98 | E | 95 | Very high | 94.1 | Very high | 107 Ų | 107 | 64.7 Ų | 64.7 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -69.7 | -22.5 | 176.8 | -67.6 | -176 | -176.8 | 0 | 0 | 112.9 | I90 Q95 W96 V100 | I90-E98 HydrophobicContact CD1-CB 4.29Å; I90-E98 HydrophobicContact CG1-CB 4.28Å; I90-E98 HydrophobicContact CG2-CB 4.1Å; Q95-E98 HydrophobicContact CB-CB 4.37Å; Q95-E98 HydrophobicContact CB-CG 3.93Å; Q95-E98 PolarHBondContact NE2-OE1 2.92Å; Q95-E98 WeakPolarHBondContact O-CB 3.42Å; Q95-E98 PolarHBondContact O-N 3.49Å; Q95-E98 PolarHBondContact OE1-OE2 2.9Å; W96-E98 VanDerWaalsContact C-N 3.32Å; E98-V100 PolarHBondContact O-N 3.12Å |
| 99 | M | 94.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 68.6 Ų | 68.6 | 4% | 0.044 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -78.7 | -0.5 | 172.1 | 53.6 | 172.9 | 171.1 | 0 | 0 | 113.9 | T78 T79 V86 I90 W96 C97 P101 W117 | T78-M99 WeakPolarHBondContact O-CG 3.32Å; T79-M99 PolarHBondContact OG1-O 3.25Å; V86-M99 HydrophobicContact CB-CB 4.29Å; V86-M99 HydrophobicContact CG1-CB 3.82Å; I90-M99 HydrophobicContact CG2-CB 4.34Å; I90-M99 HydrophobicContact CG2-CG 4.48Å; W96-M99 HydrophobicContact CB-CE 3.75Å; W96-M99 HydrophobicContact CD2-CE 4.35Å; W96-M99 HydrophobicContact CE3-CE 3.67Å; W96-M99 HydrophobicContact CG-CE 4.43Å; W96-M99 WeakPolarHBondContact O-CE 3.06Å; W96-M99 WeakPolarHBondContact O-CG 3.44Å; C97-M99 VanDerWaalsContact C-N 3.26Å; C97-M99 PolarHBondContact O-N 3.49Å; M99-P101 HydrophobicContact CE-CB 4.19Å; M99-P101 HydrophobicContact CE-CG 4.42Å; M99-P101 HydrophobicContact CG-CB 4.37Å; M99-W117 HydrophobicContact CE-CD2 4.09Å; M99-W117 HydrophobicContact CE-CE3 3.68Å; M99-W117 HydrophobicContact CE-CH2 3.66Å; M99-W117 HydrophobicContact CE-CZ2 4.06Å; M99-W117 HydrophobicContact CE-CZ3 3.47Å; M99-W117 VanDerWaalsContact CE-CZ3 3.47Å |
| 100 | V | 95.9 | Very high | 94.3 | Very high | 77 Ų | 77 | 71.2 Ų | 71.2 | 47% | 0.467 | 35% | 0.353 | S | S | . | . | trans | 52.8 | 61.8 | -177.7 | -165.4 | 0 | 0 | 0 | 0 | 111.3 | T79 R80 C97 E98 C102 | T79-V100 CarbonylContact C-O 3.58Å; T79-V100 WeakPolarHBondContact CA-O 3.47Å; R80-V100 PolarHBondContact N-O 3.29Å; C97-V100 PolarHBondContact O-N 3.35Å; C97-V100 VanDerWaalsContact O-N 3.09Å; E98-V100 PolarHBondContact O-N 3.12Å; V100-C102 VanDerWaalsContact C-N 3.35Å; V100-C102 PolarHBondContact O-N 2.96Å | ||
| 101 | P | 94.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.019 | 36% | 0.355 | C | S | . | . | trans | -78 | -20.9 | -170.4 | 33.1 | -36.4 | 0 | 0 | 0 | 113.2 | T78 A81 W96 M99 W117 | T78-P101 WeakPolarHBondContact OG1-CB 3.14Å; A81-P101 PolarHBondContact N-O 2.88Å; W96-P101 WeakPolarHBondContact O-CD 3.16Å; M99-P101 HydrophobicContact CE-CB 4.19Å; M99-P101 HydrophobicContact CE-CG 4.42Å; M99-P101 HydrophobicContact CG-CB 4.37Å; P101-W117 HydrophobicContact CB-CD2 4.37Å; P101-W117 HydrophobicContact CB-CG 4.49Å; P101-W117 HydrophobicContact CB-CZ2 4.07Å; P101-W117 HydrophobicContact CG-CD2 4.25Å; P101-W117 HydrophobicContact CG-CG 3.95Å | ||
| 102 | C | 95.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 77.5 Ų | 77.5 | 3% | 0.034 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -88.6 | 167.4 | -179.2 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | V100 E106 C119 | V100-C102 VanDerWaalsContact C-N 3.35Å; V100-C102 PolarHBondContact O-N 2.96Å; C102-E106 HydrophobicContact CB-CB 3.74Å; C102-C119 WeakPolarHBondContact CA-SG 3.09Å; C102-C119 HydrophobicContact CB-CB 3.75Å; C102-C119 WeakPolarHBondContact CB-SG 3.47Å; C102-C119 WeakPolarHBondContact SG-CA 3.48Å; C102-C119 WeakPolarHBondContact SG-CB 3.47Å; C102-C119 CovalentContact SG-SG 2.04Å; C102-C119 PolarHBondContact SG-SG 3.37Å |
| 103 | L | 94.1 | Very high | 94.5 | Very high | 78 Ų | 78 | 72.2 Ų | 72.2 | 41% | 0.408 | 38% | 0.378 | S | S | . | . | trans | -72.5 | 164 | 169.9 | -67.2 | 167.1 | 0 | 0 | 0 | 110.5 | A81 D105 E106 | A81-L103 HydrophobicContact CB-CD2 4.48Å; A81-L103 HydrophobicContact CB-CG 4.39Å; L103-D105 PolarHBondContact O-N 2.86Å; L103-E106 HydrophobicContact CB-CG 4.18Å; L103-E106 PolarHBondContact N-OE2 3.44Å; L103-E106 PolarHBondContact O-N 3.5Å | ||
| 104 | E | 91.3 | Very high | 94.4 | Very high | 134 Ų | 134 | 70.8 Ų | 70.8 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -31.1 | -177.6 | -57.1 | -70.4 | 146.9 | 0 | 0 | 112.6 | R80 E106 | R80-E104 IonicContact CZ-OE1 2.9Å; R80-E104 IonicContact NE-OE1 2.72Å; R80-E104 PolarHBondContact NE-OE1 2.86Å; R80-E104 IonicContact NH2-OE1 3.88Å; R80-E104 PolarHBondContact NH2-OE1 3Å; E104-E106 VanDerWaalsContact C-N 3.34Å |
| 105 | D | 91.4 | Very high | 94.4 | Very high | 137 Ų | 137 | 65.9 Ų | 65.9 | 73% | 0.733 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 2 | 178.6 | -53.9 | -57 | 0 | 0 | 0 | 113.7 | L103 P122 | L103-D105 PolarHBondContact O-N 2.86Å; D105-P122 WeakPolarHBondContact O-CD 3.41Å |
| 106 | E | 95.1 | Very high | 94.4 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 9% | 0.093 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -110.3 | 133.9 | -176 | -71 | 179.3 | 168.1 | 0 | 0 | 111.2 | C102 L103 E104 C119 T120 Q121 K127 | C102-E106 HydrophobicContact CB-CB 3.74Å; L103-E106 HydrophobicContact CB-CG 4.18Å; L103-E106 PolarHBondContact N-OE2 3.44Å; L103-E106 PolarHBondContact O-N 3.5Å; E104-E106 VanDerWaalsContact C-N 3.34Å; E106-C119 HydrophobicContact CB-CB 4.32Å; E106-C119 WeakPolarHBondContact OE2-CB 3.33Å; E106-T120 WeakPolarHBondContact CA-O 3.23Å; E106-Q121 HydrophobicContact CG-CG 3.84Å; E106-Q121 WeakPolarHBondContact OE1-CG 3.3Å; E106-Q121 PolarHBondContact OE1-NE2 3.37Å; E106-K127 IonicContact OE1-NZ 2.76Å; E106-K127 PolarHBondContact OE1-NZ 2.92Å; E106-K127 IonicContact OE2-NZ 3.22Å |
| 107 | G | 95 | Very high | 94.5 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 135.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C119 T120 | G107-C119 CarbonylContact O-C 3.58Å; G107-C119 VanDerWaalsContact O-CA 3.31Å; G107-C119 WeakPolarHBondContact O-CA 3.34Å; G107-T120 PolarHBondContact N-O 3.42Å; G107-T120 PolarHBondContact O-N 2.86Å |
| 108 | C | 96 | Very high | 94.5 | Very high | 38 Ų | 38 | 62 Ų | 62 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.6 | 174.7 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | C97 T118 | C97-C108 WeakPolarHBondContact CA-SG 3.28Å; C97-C108 HydrophobicContact CB-CB 3.87Å; C97-C108 WeakPolarHBondContact CB-SG 3.04Å; C97-C108 WeakPolarHBondContact SG-CB 3.02Å; C97-C108 PolarHBondContact SG-O 2.93Å; C97-C108 CovalentContact SG-SG 2.06Å; C97-C108 PolarHBondContact SG-SG 3.23Å; C108-T118 WeakPolarHBondContact CA-O 3.28Å |
| 109 | D | 95.9 | Very high | 94.5 | Very high | 94 Ų | 94 | 57.2 Ų | 57.2 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.6 | 173.6 | -65.2 | -65 | 0 | 0 | 0 | 111 | W117 T118 | D109-W117 CarbonylContact O-C 3.56Å; D109-W117 WeakPolarHBondContact O-CA 3.34Å; D109-W117 WeakPolarHBondContact O-CB 3.38Å; D109-T118 PolarHBondContact N-O 2.87Å; D109-T118 PolarHBondContact O-N 3.42Å; D109-T118 PolarHBondContact O-OG1 3.44Å |
| 110 | L | 95.5 | Very high | 94.6 | Very high | 78 Ų | 78 | 59.1 Ų | 59.1 | 41% | 0.408 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 143.1 | 174.8 | -57.8 | 177.2 | 0 | 0 | 0 | 110.3 | W96 C97 | W96-L110 HydrophobicContact CB-CD2 3.64Å; W96-L110 HydrophobicContact CG-CD2 4.09Å; C97-L110 HydrophobicContact CB-CD2 4.41Å |
| 111 | L | 95.5 | Very high | 94.4 | Very high | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.183 | 32% | 0.319 | C | S | . | . | trans | -62.9 | 147.9 | 168.6 | -90.9 | 69.1 | 0 | 0 | 0 | 109.9 | N113 K114 G116 W117 T118 T128 | L111-N113 WeakPolarHBondContact CB-OD1 3.26Å; L111-N113 PolarHBondContact O-N 2.88Å; L111-N113 VanDerWaalsContact O-N 3.15Å; L111-K114 WeakPolarHBondContact O-CA 3.34Å; L111-K114 PolarHBondContact O-N 3Å; L111-G116 PolarHBondContact N-O 2.92Å; L111-W117 WeakPolarHBondContact CD1-O 3.25Å; L111-T118 HydrophobicContact CD1-CG2 3.83Å; L111-T128 HydrophobicContact CD1-CG2 4.09Å; L111-T128 HydrophobicContact CD2-CG2 4.26Å | ||
| 112 | V | 93.3 | Very high | 94.1 | Very high | 157 Ų | 157 | 63.6 Ų | 63.6 | 95% | 0.952 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -38.5 | -178.7 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | K114 | V112-K114 VanDerWaalsContact C-N 3.27Å; V112-K114 PolarHBondContact O-N 3.4Å |
| 113 | N | 94.3 | Very high | 93.6 | Very high | 101 Ų | 101 | 67.1 Ų | 67.1 | 54% | 0.54 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 3.1 | 178.3 | 67.3 | -5.9 | 0 | 0 | 0 | 113.8 | L111 S115 | L111-N113 WeakPolarHBondContact CB-OD1 3.26Å; L111-N113 PolarHBondContact O-N 2.88Å; L111-N113 VanDerWaalsContact O-N 3.15Å; N113-S115 VanDerWaalsContact CG-OG 3.22Å; N113-S115 WeakPolarHBondContact ND2-CB 3.27Å; N113-S115 PolarHBondContact ND2-OG 3.49Å; N113-S115 PolarHBondContact O-N 3.32Å; N113-S115 VanDerWaalsContact O-N 3.13Å; N113-S115 VanDerWaalsContact OD1-CB 3.31Å; N113-S115 WeakPolarHBondContact OD1-CB 3.39Å; N113-S115 PolarHBondContact OD1-N 2.98Å; N113-S115 PolarHBondContact OD1-OG 3.38Å |
| 114 | K | 91.9 | Very high | 93.2 | Very high | 119 Ų | 119 | 66.2 Ų | 66.2 | 52% | 0.517 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 55.3 | 22.1 | -172.9 | -53.6 | -179.6 | 179.8 | -179.1 | 0 | 113.9 | R94 W96 L111 V112 G116 | R94-K114 HydrophobicContact CB-CB 4.13Å; W96-K114 PolarHBondContact NE1-O 2.8Å; L111-K114 WeakPolarHBondContact O-CA 3.34Å; L111-K114 PolarHBondContact O-N 3Å; V112-K114 VanDerWaalsContact C-N 3.27Å; V112-K114 PolarHBondContact O-N 3.4Å; K114-G116 PolarHBondContact O-N 2.93Å |
| 115 | S | 94.1 | Very high | 93.1 | Very high | 30 Ų | 30 | 67.1 Ų | 67.1 | 21% | 0.21 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -83.2 | 2.2 | 177.8 | 76.6 | 0 | 0 | 0 | 0 | 113 | N113 T130 A131 | N113-S115 VanDerWaalsContact CG-OG 3.22Å; N113-S115 WeakPolarHBondContact ND2-CB 3.27Å; N113-S115 PolarHBondContact ND2-OG 3.49Å; N113-S115 PolarHBondContact O-N 3.32Å; N113-S115 VanDerWaalsContact O-N 3.13Å; N113-S115 VanDerWaalsContact OD1-CB 3.31Å; N113-S115 WeakPolarHBondContact OD1-CB 3.39Å; N113-S115 PolarHBondContact OD1-N 2.98Å; N113-S115 PolarHBondContact OD1-OG 3.38Å; S115-T130 WeakPolarHBondContact O-CG2 3.33Å; S115-A131 PolarHBondContact O-N 2.95Å |
| 116 | G | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.2 | -159.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W96 L111 K114 T129 | W96-G116 VanDerWaalsContact CD1-C 3.49Å; L111-G116 PolarHBondContact N-O 2.92Å; K114-G116 PolarHBondContact O-N 2.93Å; G116-T129 CarbonylContact C-O 3.41Å; G116-T129 VanDerWaalsContact CA-O 3.27Å; G116-T129 WeakPolarHBondContact CA-O 3.47Å |
| 117 | W | 95.6 | Very high | 93 | Very high | 17 Ų | 17 | 67 Ų | 67 | 6% | 0.064 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 165.7 | -179.2 | 64.2 | 98 | 0 | 0 | 0 | 112.3 | T78 W96 M99 P101 D109 L111 T129 | T78-W117 HydrophobicContact CG2-CH2 4.29Å; T78-W117 HydrophobicContact CG2-CZ2 4.15Å; T78-W117 WeakPolarHBondContact OG1-CH2 3.49Å; T78-W117 WeakPolarHBondContact OG1-CZ2 3.43Å; W96-W117 HydrophobicContact CB-CB 4.02Å; W96-W117 HydrophobicContact CB-CD2 4.18Å; W96-W117 HydrophobicContact CB-CE3 3.65Å; W96-W117 HydrophobicContact CB-CG 4.36Å; W96-W117 HydrophobicContact CB-CZ3 4.47Å; W96-W117 HydrophobicContact CD2-CE3 4.11Å; W96-W117 HydrophobicContact CD2-CZ3 4.28Å; W96-W117 HydrophobicContact CE3-CE3 4.32Å; W96-W117 HydrophobicContact CE3-CZ3 4.07Å; W96-W117 AromaticContact CG-CE3 3.84Å; W96-W117 HydrophobicContact CG-CE3 3.84Å; W96-W117 HydrophobicContact CG-CZ3 4.47Å; M99-W117 HydrophobicContact CE-CD2 4.09Å; M99-W117 HydrophobicContact CE-CE3 3.68Å; M99-W117 HydrophobicContact CE-CH2 3.66Å; M99-W117 HydrophobicContact CE-CZ2 4.06Å; M99-W117 HydrophobicContact CE-CZ3 3.47Å; M99-W117 VanDerWaalsContact CE-CZ3 3.47Å; P101-W117 HydrophobicContact CB-CD2 4.37Å; P101-W117 HydrophobicContact CB-CG 4.49Å; P101-W117 HydrophobicContact CB-CZ2 4.07Å; P101-W117 HydrophobicContact CG-CD2 4.25Å; P101-W117 HydrophobicContact CG-CG 3.95Å; D109-W117 CarbonylContact O-C 3.56Å; D109-W117 WeakPolarHBondContact O-CA 3.34Å; D109-W117 WeakPolarHBondContact O-CB 3.38Å; L111-W117 WeakPolarHBondContact CD1-O 3.25Å; W117-T129 HydrophobicContact CD2-CG2 4.42Å; W117-T129 VanDerWaalsContact CE2-CB 3.48Å; W117-T129 HydrophobicContact CH2-CG2 3.42Å; W117-T129 VanDerWaalsContact CH2-CG2 3.42Å; W117-T129 HydrophobicContact CZ2-CG2 3.26Å; W117-T129 HydrophobicContact CZ3-CG2 4.05Å; W117-T129 PolarHBondContact N-O 2.92Å; W117-T129 PolarHBondContact O-N 2.76Å; W117-T129 VanDerWaalsContact O-O 3.1Å |
| 118 | T | 95.8 | Very high | 92.9 | Very high | 25 Ų | 25 | 69.1 Ų | 69.1 | 15% | 0.153 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.2 | 169.3 | 48.7 | 0 | 0 | 0 | 0 | 110.4 | C108 D109 L111 V126 K127 T128 | C108-T118 WeakPolarHBondContact CA-O 3.28Å; D109-T118 PolarHBondContact N-O 2.87Å; D109-T118 PolarHBondContact O-N 3.42Å; D109-T118 PolarHBondContact O-OG1 3.44Å; L111-T118 HydrophobicContact CD1-CG2 3.83Å; T118-V126 HydrophobicContact CG2-CG1 3.93Å; T118-K127 CarbonylContact C-O 3.47Å; T118-K127 WeakPolarHBondContact CA-O 3.41Å; T118-T128 HydrophobicContact CG2-CG2 4.11Å |
| 119 | C | 95.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 70 Ų | 70 | 5% | 0.047 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.6 | 168.2 | -59.5 | 0 | 0 | 0 | 0 | 108.9 | C102 E106 G107 K127 | C102-C119 WeakPolarHBondContact CA-SG 3.09Å; C102-C119 HydrophobicContact CB-CB 3.75Å; C102-C119 WeakPolarHBondContact CB-SG 3.47Å; C102-C119 WeakPolarHBondContact SG-CA 3.48Å; C102-C119 WeakPolarHBondContact SG-CB 3.47Å; C102-C119 CovalentContact SG-SG 2.04Å; C102-C119 PolarHBondContact SG-SG 3.37Å; E106-C119 HydrophobicContact CB-CB 4.32Å; E106-C119 WeakPolarHBondContact OE2-CB 3.33Å; G107-C119 CarbonylContact O-C 3.58Å; G107-C119 VanDerWaalsContact O-CA 3.31Å; G107-C119 WeakPolarHBondContact O-CA 3.34Å; C119-K127 HydrophobicContact CB-CB 4.31Å; C119-K127 PolarHBondContact N-O 3.36Å; C119-K127 PolarHBondContact O-N 3.03Å |
| 120 | T | 94.9 | Very high | 92.5 | Very high | 49 Ų | 49 | 69.2 Ų | 69.2 | 30% | 0.301 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.8 | -176.8 | -52.7 | 0 | 0 | 0 | 0 | 109.1 | E106 G107 V126 | E106-T120 WeakPolarHBondContact CA-O 3.23Å; G107-T120 PolarHBondContact N-O 3.42Å; G107-T120 PolarHBondContact O-N 2.86Å; T120-V126 HydrophobicContact CG2-CG2 4.33Å |
| 121 | Q | 93.3 | Very high | 91.9 | Very high | 54 Ų | 54 | 67.1 Ų | 67.1 | 25% | 0.252 | 40% | 0.401 | S | S | . | . | trans | -80.2 | 150.1 | 175.7 | -68.1 | -172.1 | -28.9 | 0 | 0 | 110.9 | E106 G123 G124 R125 | E106-Q121 HydrophobicContact CG-CG 3.84Å; E106-Q121 WeakPolarHBondContact OE1-CG 3.3Å; E106-Q121 PolarHBondContact OE1-NE2 3.37Å; Q121-G123 PolarHBondContact O-N 2.87Å; Q121-G124 PolarHBondContact O-N 2.68Å; Q121-R125 HydrophobicContact CB-CB 4.25Å; Q121-R125 WeakPolarHBondContact CB-O 3.47Å; Q121-R125 PolarHBondContact N-O 3.38Å | ||
| 122 | P | 88.3 | Confident | 90.7 | Very high | 119 Ų | 119 | 76.7 Ų | 76.7 | 77% | 0.773 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.2 | 178.5 | 19.2 | -29.8 | 0 | 0 | 0 | 113.2 | D105 G124 | D105-P122 WeakPolarHBondContact O-CD 3.41Å; P122-G124 VanDerWaalsContact C-N 3.28Å; P122-G124 PolarHBondContact O-N 3.08Å |
| 123 | G | 84.6 | Confident | 90.5 | Very high | 79 Ų | 79 | 72.7 Ų | 72.7 | 81% | 0.814 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 15.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q121 R125 | Q121-G123 PolarHBondContact O-N 2.87Å; G123-R125 PolarHBondContact O-N 2.71Å |
| 124 | G | 86.1 | Confident | 90.4 | Very high | 60 Ų | 60 | 71.2 Ų | 71.2 | 62% | 0.619 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 76.9 | 0.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q121 P122 V126 | Q121-G124 PolarHBondContact O-N 2.68Å; P122-G124 VanDerWaalsContact C-N 3.28Å; P122-G124 PolarHBondContact O-N 3.08Å; G124-V126 PolarHBondContact O-N 3.11Å |
| 125 | R | 88.7 | Confident | 90.3 | Very high | 152 Ų | 152 | 68.5 Ų | 68.5 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | trans | -77.5 | 124 | 176.5 | -171.3 | 179.4 | -173 | 174.1 | 5.5 | 110.1 | Q121 G123 | Q121-R125 HydrophobicContact CB-CB 4.25Å; Q121-R125 WeakPolarHBondContact CB-O 3.47Å; Q121-R125 PolarHBondContact N-O 3.38Å; G123-R125 PolarHBondContact O-N 2.71Å | ||
| 126 | V | 92.4 | Very high | 90 | Very high | 80 Ų | 80 | 70.8 Ų | 70.8 | 49% | 0.485 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.3 | 178.1 | -172.1 | 0 | 0 | 0 | 0 | 110.2 | T118 T120 G124 | T118-V126 HydrophobicContact CG2-CG1 3.93Å; T120-V126 HydrophobicContact CG2-CG2 4.33Å; G124-V126 PolarHBondContact O-N 3.11Å |
| 127 | K | 92 | Very high | 89.8 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 33% | 0.33 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.5 | 169.9 | -64 | 171.7 | -174.9 | 162 | 0 | 108.4 | E106 T118 C119 | E106-K127 IonicContact OE1-NZ 2.76Å; E106-K127 PolarHBondContact OE1-NZ 2.92Å; E106-K127 IonicContact OE2-NZ 3.22Å; T118-K127 CarbonylContact C-O 3.47Å; T118-K127 WeakPolarHBondContact CA-O 3.41Å; C119-K127 HydrophobicContact CB-CB 4.31Å; C119-K127 PolarHBondContact N-O 3.36Å; C119-K127 PolarHBondContact O-N 3.03Å |
| 128 | T | 92 | Very high | 89.4 | Confident | 81 Ų | 81 | 79.1 Ų | 79.1 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.1 | 177.5 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | L111 T118 | L111-T128 HydrophobicContact CD1-CG2 4.09Å; L111-T128 HydrophobicContact CD2-CG2 4.26Å; T118-T128 HydrophobicContact CG2-CG2 4.11Å |
| 129 | T | 91.9 | Very high | 88.9 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 34% | 0.344 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.7 | 173.9 | -54.5 | 0 | 0 | 0 | 0 | 109.7 | G116 W117 | G116-T129 CarbonylContact C-O 3.41Å; G116-T129 VanDerWaalsContact CA-O 3.27Å; G116-T129 WeakPolarHBondContact CA-O 3.47Å; W117-T129 HydrophobicContact CD2-CG2 4.42Å; W117-T129 VanDerWaalsContact CE2-CB 3.48Å; W117-T129 HydrophobicContact CH2-CG2 3.42Å; W117-T129 VanDerWaalsContact CH2-CG2 3.42Å; W117-T129 HydrophobicContact CZ2-CG2 3.26Å; W117-T129 HydrophobicContact CZ3-CG2 4.05Å; W117-T129 PolarHBondContact N-O 2.92Å; W117-T129 PolarHBondContact O-N 2.76Å; W117-T129 VanDerWaalsContact O-O 3.1Å |
| 130 | T | 91.5 | Very high | 88.4 | Confident | 79 Ų | 79 | 88.8 Ų | 88.8 | 49% | 0.485 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.7 | 178 | -44.5 | 0 | 0 | 0 | 0 | 108.5 | S115 | S115-T130 WeakPolarHBondContact O-CG2 3.33Å |
| 131 | A | 83.9 | Confident | 87.8 | Confident | 33 Ų | 33 | 92.1 Ų | 92.1 | 27% | 0.273 | 56% | 0.557 | S | S | . | * | trans | -82.5 | 127.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | W96 S115 | W96-A131 HydrophobicContact CH2-CB 3.45Å; W96-A131 VanDerWaalsContact CH2-CB 3.45Å; W96-A131 HydrophobicContact CZ2-CB 3.75Å; W96-A131 HydrophobicContact CZ3-CB 3.96Å; S115-A131 PolarHBondContact O-N 2.95Å | ||
| 132 | L | 69.3 | Low | 87.3 | Confident | 236 Ų | 236 | 95.5 Ų | 95.5 | 100% | 1.236 | 58% | 0.584 | S | S | * | * | trans | -84.4 | 0 | 175 | -68.2 | 172.1 | 0 | 0 | 0 | 110.8 |
Retrieved 132 of 132 residues in 157.9 ms
(Link to these results)