| 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 | Q | 36.9 | Very low | 49 | Very low | 252 Ų | 252 | 138.5 Ų | 138.5 | 100% | 1.178 | 82% | 0.821 | S | S | * | * | 0 | 113.3 | 0 | -173.3 | 152.7 | 16.2 | 0 | 0 | 107.3 | |||||
| 2 | G | 41.1 | Very low | 50.7 | Low | 81 Ų | 81 | 132.3 Ų | 132.3 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 63 | 79 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 3 | E | 44.5 | Very low | 52.2 | Low | 209 Ų | 209 | 135.2 Ų | 135.2 | 98% | 0.977 | 79% | 0.791 | S | S | * | * | trans | -98.2 | 137.4 | 146.1 | -93.1 | -176.9 | 94.6 | 0 | 0 | 108.3 | ||||
| 4 | G | 38.6 | Very low | 53.8 | Low | 74 Ų | 74 | 128.9 Ų | 128.9 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | 172.1 | 66.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 5 | S | 48.5 | Very low | 55.4 | Low | 124 Ų | 124 | 129.2 Ų | 129.2 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | trans | -98.2 | 89.8 | 164.1 | -157.8 | 0 | 0 | 0 | 0 | 107.3 | S7 | S5-S7 PolarHBondContact O-N 3.14Š| ||
| 6 | D | 43.2 | Very low | 56.9 | Low | 163 Ų | 163 | 131.4 Ų | 131.4 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | trans | -81.1 | 99.3 | 174.9 | -84.5 | -25.7 | 0 | 0 | 0 | 109.5 | A8 | D6-A8 PolarHBondContact O-N 3.07Š| ||
| 7 | S | 49.5 | Very low | 58.5 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -72.3 | 107.3 | 168.6 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | S5 H9 | S5-S7 PolarHBondContact O-N 3.14Å; S7-H9 PolarHBondContact O-N 2.99Å | ||
| 8 | A | 53.2 | Low | 60 | Low | 84 Ų | 84 | 128 Ų | 128 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | trans | -69.4 | 91.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D6 F10 | D6-A8 PolarHBondContact O-N 3.07Å; A8-F10 HydrophobicContact CB-CD2 4.44Å; A8-F10 HydrophobicContact CB-CE2 4.32Å; A8-F10 PolarHBondContact O-N 3.29Å | ||
| 9 | H | 55.9 | Low | 61.4 | Low | 172 Ų | 172 | 124.7 Ų | 124.7 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | trans | -81.8 | 91.5 | 172.1 | -161.6 | 72.3 | 0 | 0 | 0 | 109.4 | S7 P11 | S7-H9 PolarHBondContact O-N 2.99Å; H9-P11 WeakPolarHBondContact O-CD 3.39Å | ||
| 10 | F | 56.5 | Low | 62.7 | Low | 179 Ų | 179 | 121.7 Ų | 121.7 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | trans | -66.6 | 122.9 | 172.3 | -86.6 | -89.6 | 0 | 0 | 0 | 109.6 | A8 A12 | A8-F10 HydrophobicContact CB-CD2 4.44Å; A8-F10 HydrophobicContact CB-CE2 4.32Å; A8-F10 PolarHBondContact O-N 3.29Å; F10-A12 PolarHBondContact O-N 2.73Å | ||
| 11 | P | 70.9 | Confident | 64 | Low | 76 Ų | 76 | 118.2 Ų | 118.2 | 49% | 0.494 | 68% | 0.679 | S | S | . | * | trans | -69.5 | 111.1 | -179.6 | 26.5 | -31.5 | 0 | 0 | 0 | 108.8 | H9 K13 A14 | H9-P11 WeakPolarHBondContact O-CD 3.39Å; P11-K13 PolarHBondContact O-N 3.26Å; P11-A14 HydrophobicContact CG-CB 4.09Å; P11-A14 WeakPolarHBondContact O-CB 3.29Å; P11-A14 PolarHBondContact O-N 3.41Å | ||
| 12 | A | 69.8 | Low | 66.6 | Low | 63 Ų | 63 | 111.3 Ų | 111.3 | 52% | 0.521 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -47.9 | -30.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F10 A14 F15 W16 | F10-A12 PolarHBondContact O-N 2.73Å; A12-A14 PolarHBondContact O-N 3.16Å; A12-F15 WeakPolarHBondContact O-CB 3.46Å; A12-F15 PolarHBondContact O-N 3.2Å; A12-W16 PolarHBondContact O-N 3.2Å |
| 13 | K | 69.5 | Low | 69 | Low | 170 Ų | 170 | 113.1 Ų | 113.1 | 74% | 0.739 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.8 | -40.6 | 175.9 | -62.8 | -177.4 | 178 | 176.2 | 0 | 113.3 | P11 F15 W16 I17 | P11-K13 PolarHBondContact O-N 3.26Å; K13-F15 VanDerWaalsContact C-N 3.35Å; K13-W16 PolarHBondContact O-N 2.86Å; K13-I17 WeakPolarHBondContact O-CD1 3.4Å; K13-I17 VanDerWaalsContact O-CG1 3.23Å; K13-I17 WeakPolarHBondContact O-CG1 3.46Å; K13-I17 PolarHBondContact O-N 3.39Å; K13-I17 VanDerWaalsContact O-N 3.1Å |
| 14 | A | 74.8 | Confident | 71.3 | Confident | 48 Ų | 48 | 108.6 Ų | 108.6 | 40% | 0.397 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.9 | -36.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P11 A12 I17 C18 | P11-A14 HydrophobicContact CG-CB 4.09Å; P11-A14 WeakPolarHBondContact O-CB 3.29Å; P11-A14 PolarHBondContact O-N 3.41Å; A12-A14 PolarHBondContact O-N 3.16Å; A14-I17 PolarHBondContact O-N 3.16Å; A14-C18 WeakPolarHBondContact O-CB 3.34Å; A14-C18 PolarHBondContact O-N 2.9Å; A14-C18 PolarHBondContact O-SG 2.89Å; A14-C18 VanDerWaalsContact O-SG 3.42Å |
| 15 | F | 78.3 | Confident | 73.7 | Confident | 133 Ų | 133 | 110.8 Ų | 110.8 | 58% | 0.583 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.3 | -45.8 | 174 | 176.2 | -98.6 | 0 | 0 | 0 | 111.7 | A12 K13 I17 C18 L19 | A12-F15 WeakPolarHBondContact O-CB 3.46Å; A12-F15 PolarHBondContact O-N 3.2Å; K13-F15 VanDerWaalsContact C-N 3.35Å; F15-I17 PolarHBondContact O-N 3.37Å; F15-C18 PolarHBondContact O-N 3.31Å; F15-L19 HydrophobicContact CE1-CD2 4.28Å; F15-L19 VanDerWaalsContact O-CB 3.29Å; F15-L19 WeakPolarHBondContact O-CB 3.44Å; F15-L19 PolarHBondContact O-N 3.44Å |
| 16 | W | 78.6 | Confident | 75.7 | Confident | 165 Ų | 165 | 108.6 Ų | 108.6 | 63% | 0.625 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.6 | -37.5 | 178.1 | -70.6 | 113.3 | 0 | 0 | 0 | 113.3 | A12 K13 L19 S20 | A12-W16 PolarHBondContact O-N 3.2Å; K13-W16 PolarHBondContact O-N 2.86Å; W16-L19 HydrophobicContact CE3-CD2 4.03Å; W16-L19 HydrophobicContact CZ3-CD2 3.97Å; W16-L19 PolarHBondContact O-N 3.4Å; W16-S20 PolarHBondContact O-N 3.18Å |
| 17 | I | 85.6 | Confident | 77.8 | Confident | 113 Ų | 113 | 103.4 Ų | 103.4 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.6 | -44.7 | 176.9 | -67 | 163.6 | 0 | 0 | 0 | 110.8 | K13 A14 F15 L19 S20 A21 | K13-I17 WeakPolarHBondContact O-CD1 3.4Å; K13-I17 VanDerWaalsContact O-CG1 3.23Å; K13-I17 WeakPolarHBondContact O-CG1 3.46Å; K13-I17 PolarHBondContact O-N 3.39Å; K13-I17 VanDerWaalsContact O-N 3.1Å; A14-I17 PolarHBondContact O-N 3.16Å; F15-I17 PolarHBondContact O-N 3.37Å; I17-L19 VanDerWaalsContact C-N 3.32Å; I17-L19 PolarHBondContact O-N 3.01Å; I17-S20 PolarHBondContact O-N 3.12Å; I17-S20 PolarHBondContact O-OG 2.69Å; I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 2.92Å |
| 18 | C | 84.4 | Confident | 79.6 | Confident | 88 Ų | 88 | 104.8 Ų | 104.8 | 60% | 0.595 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.7 | -41.7 | 175.3 | -74.5 | 0 | 0 | 0 | 0 | 111.4 | A14 F15 A21 L22 | A14-C18 WeakPolarHBondContact O-CB 3.34Å; A14-C18 PolarHBondContact O-N 2.9Å; A14-C18 PolarHBondContact O-SG 2.89Å; A14-C18 VanDerWaalsContact O-SG 3.42Å; F15-C18 PolarHBondContact O-N 3.31Å; C18-A21 PolarHBondContact O-N 3.45Å; C18-L22 WeakPolarHBondContact O-CB 3.12Å; C18-L22 PolarHBondContact O-N 2.9Å |
| 19 | L | 86.4 | Confident | 81 | Confident | 65 Ų | 65 | 103.1 Ų | 103.1 | 34% | 0.34 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.4 | -42.4 | 177.7 | -173.5 | 63.7 | 0 | 0 | 0 | 111.5 | F15 W16 I17 L22 L23 | F15-L19 HydrophobicContact CE1-CD2 4.28Å; F15-L19 VanDerWaalsContact O-CB 3.29Å; F15-L19 WeakPolarHBondContact O-CB 3.44Å; F15-L19 PolarHBondContact O-N 3.44Å; W16-L19 HydrophobicContact CE3-CD2 4.03Å; W16-L19 HydrophobicContact CZ3-CD2 3.97Å; W16-L19 PolarHBondContact O-N 3.4Å; I17-L19 VanDerWaalsContact C-N 3.32Å; I17-L19 PolarHBondContact O-N 3.01Å; L19-L22 PolarHBondContact O-N 2.86Å; L19-L23 PolarHBondContact O-N 3.12Å |
| 20 | S | 88.2 | Confident | 82.2 | Confident | 65 Ų | 65 | 101 Ų | 101 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.1 | -40.8 | 177.4 | 74.4 | 0 | 0 | 0 | 0 | 112.3 | W16 I17 L22 L23 L24 | W16-S20 PolarHBondContact O-N 3.18Å; I17-S20 PolarHBondContact O-N 3.12Å; I17-S20 PolarHBondContact O-OG 2.69Å; S20-L22 VanDerWaalsContact C-N 3.35Å; S20-L23 PolarHBondContact O-N 2.88Å; S20-L24 PolarHBondContact O-N 3.16Å |
| 21 | A | 89.6 | Confident | 83.3 | Confident | 48 Ų | 48 | 94.7 Ų | 94.7 | 40% | 0.397 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I17 C18 L24 L25 | I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 2.92Å; C18-A21 PolarHBondContact O-N 3.45Å; A21-L24 PolarHBondContact O-N 3.4Å; A21-L25 WeakPolarHBondContact O-CG 3.35Å; A21-L25 PolarHBondContact O-N 2.87Å; A21-L25 VanDerWaalsContact O-N 3.11Å |
| 22 | L | 91.3 | Very high | 83.4 | Confident | 107 Ų | 107 | 96.5 Ų | 96.5 | 56% | 0.56 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 176.7 | -171.8 | 66.7 | 0 | 0 | 0 | 111.7 | C18 L19 S20 L24 L25 V26 | C18-L22 WeakPolarHBondContact O-CB 3.12Å; C18-L22 PolarHBondContact O-N 2.9Å; L19-L22 PolarHBondContact O-N 2.86Å; S20-L22 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 2.98Å; L22-L25 PolarHBondContact O-N 2.56Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 2.98Å; L22-V26 VanDerWaalsContact O-N 3.09Å |
| 23 | L | 92.6 | Very high | 83.4 | Confident | 119 Ų | 119 | 99.1 Ų | 99.1 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.8 | -40.4 | 179.2 | -124.9 | 130 | 0 | 0 | 0 | 112.2 | L19 S20 V26 A27 | L19-L23 PolarHBondContact O-N 3.12Å; S20-L23 PolarHBondContact O-N 2.88Å; L23-V26 PolarHBondContact O-N 2.9Å; L23-A27 WeakPolarHBondContact O-CB 3.33Å; L23-A27 PolarHBondContact O-N 3.03Å |
| 24 | L | 91.4 | Very high | 83.3 | Confident | 115 Ų | 115 | 92.6 Ų | 92.6 | 60% | 0.602 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 175 | -89.3 | 160 | 0 | 0 | 0 | 112.1 | S20 A21 L22 V26 A27 M28 | S20-L24 PolarHBondContact O-N 3.16Å; A21-L24 PolarHBondContact O-N 3.4Å; L22-L24 PolarHBondContact O-N 2.98Å; L24-V26 VanDerWaalsContact C-N 3.34Å; L24-V26 PolarHBondContact O-N 3.35Å; L24-A27 PolarHBondContact O-N 2.86Å; L24-M28 WeakPolarHBondContact O-CB 3.22Å; L24-M28 VanDerWaalsContact O-CG 3.26Å; L24-M28 WeakPolarHBondContact O-CG 3.47Å; L24-M28 PolarHBondContact O-N 3.48Å |
| 25 | L | 90.2 | Very high | 82.9 | Confident | 120 Ų | 120 | 97.5 Ų | 97.5 | 63% | 0.628 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 177.2 | -73.6 | 170.2 | 0 | 0 | 0 | 111.9 | A21 L22 M28 A29 | A21-L25 WeakPolarHBondContact O-CG 3.35Å; A21-L25 PolarHBondContact O-N 2.87Å; A21-L25 VanDerWaalsContact O-N 3.11Å; L22-L25 PolarHBondContact O-N 2.56Å; L25-M28 PolarHBondContact O-N 2.63Å; L25-A29 WeakPolarHBondContact O-CB 3.1Å; L25-A29 PolarHBondContact O-N 2.79Å |
| 26 | V | 89.5 | Confident | 82.2 | Confident | 77 Ų | 77 | 96.3 Ų | 96.3 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | L22 L23 L24 M28 A29 M30 | L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 2.98Å; L22-V26 VanDerWaalsContact O-N 3.09Å; L23-V26 PolarHBondContact O-N 2.9Å; L24-V26 VanDerWaalsContact C-N 3.34Å; L24-V26 PolarHBondContact O-N 3.35Å; V26-M28 PolarHBondContact O-N 3.12Å; V26-A29 PolarHBondContact O-N 3.37Å; V26-M30 HydrophobicContact CG1-CG 4.48Å; V26-M30 WeakPolarHBondContact O-CG 3.08Å; V26-M30 PolarHBondContact O-N 3.15Å |
| 27 | A | 87.7 | Confident | 81.3 | Confident | 55 Ų | 55 | 92.1 Ų | 92.1 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L23 L24 M30 G31 | L23-A27 WeakPolarHBondContact O-CB 3.33Å; L23-A27 PolarHBondContact O-N 3.03Å; L24-A27 PolarHBondContact O-N 2.86Å; A27-M30 PolarHBondContact O-N 2.82Å; A27-G31 PolarHBondContact O-N 3.34Å |
| 28 | M | 87.8 | Confident | 80.1 | Confident | 139 Ų | 139 | 94.1 Ų | 94.1 | 69% | 0.685 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 176.2 | -70.4 | -67.3 | -73.8 | 0 | 0 | 111.7 | L24 L25 V26 G31 L32 | L24-M28 WeakPolarHBondContact O-CB 3.22Å; L24-M28 VanDerWaalsContact O-CG 3.26Å; L24-M28 WeakPolarHBondContact O-CG 3.47Å; L24-M28 PolarHBondContact O-N 3.48Å; L25-M28 PolarHBondContact O-N 2.63Å; V26-M28 PolarHBondContact O-N 3.12Å; M28-G31 PolarHBondContact O-N 3.39Å; M28-L32 WeakPolarHBondContact O-CB 3.48Å; M28-L32 PolarHBondContact O-N 2.86Å |
| 29 | A | 82 | Confident | 78.8 | Confident | 48 Ų | 48 | 93.6 Ų | 93.6 | 40% | 0.397 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L25 V26 L32 I33 | L25-A29 WeakPolarHBondContact O-CB 3.1Å; L25-A29 PolarHBondContact O-N 2.79Å; V26-A29 PolarHBondContact O-N 3.37Å; A29-L32 PolarHBondContact O-N 3.47Å; A29-I33 WeakPolarHBondContact O-CB 3.49Å; A29-I33 WeakPolarHBondContact O-CD1 3.39Å; A29-I33 WeakPolarHBondContact O-CG1 3.18Å; A29-I33 PolarHBondContact O-N 3.05Å |
| 30 | M | 82.1 | Confident | 76.9 | Confident | 129 Ų | 129 | 91.8 Ų | 91.8 | 64% | 0.635 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.8 | -39 | 175.8 | -69.8 | -155.4 | -58.1 | 0 | 0 | 112.4 | V26 A27 I33 G34 | V26-M30 HydrophobicContact CG1-CG 4.48Å; V26-M30 WeakPolarHBondContact O-CG 3.08Å; V26-M30 PolarHBondContact O-N 3.15Å; A27-M30 PolarHBondContact O-N 2.82Å; M30-I33 PolarHBondContact O-N 2.72Å; M30-G34 PolarHBondContact O-N 2.86Å |
| 31 | G | 78.7 | Confident | 75.1 | Confident | 45 Ų | 45 | 95 Ų | 95 | 46% | 0.464 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.8 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A27 M28 Y35 | A27-G31 PolarHBondContact O-N 3.34Å; M28-G31 PolarHBondContact O-N 3.39Å; G31-Y35 WeakPolarHBondContact O-CB 3.46Å; G31-Y35 PolarHBondContact O-N 3.17Å |
| 32 | L | 72.6 | Confident | 73 | Confident | 114 Ų | 114 | 95.3 Ų | 95.3 | 60% | 0.597 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.2 | -41.8 | 177.8 | -147.9 | 79.7 | 0 | 0 | 0 | 111.7 | M28 A29 L36 | M28-L32 WeakPolarHBondContact O-CB 3.48Å; M28-L32 PolarHBondContact O-N 2.86Å; A29-L32 PolarHBondContact O-N 3.47Å; L32-L36 HydrophobicContact CG-CD1 4.47Å; L32-L36 VanDerWaalsContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.01Å; L32-L36 PolarHBondContact O-N 2.68Å |
| 33 | I | 70.7 | Confident | 70.8 | Confident | 119 Ų | 119 | 96.2 Ų | 96.2 | 61% | 0.61 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.6 | -42.7 | 176.6 | -65.7 | 162.9 | 0 | 0 | 0 | 110.6 | A29 M30 L36 A37 | A29-I33 WeakPolarHBondContact O-CB 3.49Å; A29-I33 WeakPolarHBondContact O-CD1 3.39Å; A29-I33 WeakPolarHBondContact O-CG1 3.18Å; A29-I33 PolarHBondContact O-N 3.05Å; M30-I33 PolarHBondContact O-N 2.72Å; I33-L36 PolarHBondContact O-N 2.87Å; I33-A37 VanDerWaalsContact O-CB 3.29Å; I33-A37 WeakPolarHBondContact O-CB 3.45Å; I33-A37 PolarHBondContact O-N 3.04Å |
| 34 | G | 66.9 | Low | 68.5 | Low | 32 Ų | 32 | 95.3 Ų | 95.3 | 33% | 0.33 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.5 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M30 A37 L38 | M30-G34 PolarHBondContact O-N 2.86Å; G34-A37 PolarHBondContact O-N 2.91Å; G34-L38 WeakPolarHBondContact O-CB 3.41Å; G34-L38 WeakPolarHBondContact O-CD1 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.48Å; G34-L38 PolarHBondContact O-N 3.2Å |
| 35 | Y | 67.1 | Low | 66.2 | Low | 152 Ų | 152 | 94.4 Ų | 94.4 | 60% | 0.596 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.5 | -47.4 | 174 | -178 | -99 | 0 | 0 | 0 | 111 | G31 A37 L38 T39 | G31-Y35 WeakPolarHBondContact O-CB 3.46Å; G31-Y35 PolarHBondContact O-N 3.17Å; Y35-A37 VanDerWaalsContact C-N 3.3Å; Y35-A37 PolarHBondContact O-N 2.03Å; Y35-L38 PolarHBondContact O-N 2.84Å; Y35-T39 HydrophobicContact CD1-CG2 4.36Å; Y35-T39 HydrophobicContact CD2-CG2 4.45Å; Y35-T39 HydrophobicContact CE1-CG2 3.99Å; Y35-T39 HydrophobicContact CE2-CG2 4.09Å; Y35-T39 WeakPolarHBondContact O-CG2 2.86Å; Y35-T39 PolarHBondContact O-N 2.87Å; Y35-T39 PolarHBondContact O-OG1 3.21Å |
| 36 | L | 63 | Low | 64.1 | Low | 107 Ų | 107 | 93.4 Ų | 93.4 | 56% | 0.56 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.3 | -29.7 | 176.9 | -71.9 | 170.5 | 0 | 0 | 0 | 113.5 | L32 I33 T39 G40 | L32-L36 HydrophobicContact CG-CD1 4.47Å; L32-L36 VanDerWaalsContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.01Å; L32-L36 PolarHBondContact O-N 2.68Å; I33-L36 PolarHBondContact O-N 2.87Å; L36-T39 WeakPolarHBondContact CA-OG1 3.37Å; L36-T39 CarbonylContact O-C 3.6Å; L36-G40 VanDerWaalsContact O-CA 3.31Å; L36-G40 WeakPolarHBondContact O-CA 3.35Å; L36-G40 PolarHBondContact O-N 2.86Å |
| 37 | A | 59.5 | Low | 62.3 | Low | 78 Ų | 78 | 95.7 Ų | 95.7 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.8 | -35 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I33 G34 Y35 G40 | I33-A37 VanDerWaalsContact O-CB 3.29Å; I33-A37 WeakPolarHBondContact O-CB 3.45Å; I33-A37 PolarHBondContact O-N 3.04Å; G34-A37 PolarHBondContact O-N 2.91Å; Y35-A37 VanDerWaalsContact C-N 3.3Å; Y35-A37 PolarHBondContact O-N 2.03Å; A37-G40 PolarHBondContact O-N 3.2Å |
| 38 | L | 60.3 | Low | 60.3 | Low | 155 Ų | 155 | 96.7 Ų | 96.7 | 81% | 0.812 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75.4 | -31.1 | 173.9 | -74.9 | 159.2 | 0 | 0 | 0 | 112.5 | G34 Y35 | G34-L38 WeakPolarHBondContact O-CB 3.41Å; G34-L38 WeakPolarHBondContact O-CD1 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.48Å; G34-L38 PolarHBondContact O-N 3.2Å; Y35-L38 PolarHBondContact O-N 2.84Å |
| 39 | T | 56.7 | Low | 58.3 | Low | 76 Ų | 76 | 90.6 Ų | 90.6 | 47% | 0.466 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -95.5 | 9 | 171.8 | 65.4 | 0 | 0 | 0 | 0 | 112.9 | Y35 L36 | Y35-T39 HydrophobicContact CD1-CG2 4.36Å; Y35-T39 HydrophobicContact CD2-CG2 4.45Å; Y35-T39 HydrophobicContact CE1-CG2 3.99Å; Y35-T39 HydrophobicContact CE2-CG2 4.09Å; Y35-T39 WeakPolarHBondContact O-CG2 2.86Å; Y35-T39 PolarHBondContact O-N 2.87Å; Y35-T39 PolarHBondContact O-OG1 3.21Å; L36-T39 WeakPolarHBondContact CA-OG1 3.37Å; L36-T39 CarbonylContact O-C 3.6Å |
| 40 | G | 48 | Very low | 56.8 | Low | 27 Ų | 27 | 93.7 Ų | 93.7 | 28% | 0.278 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -55.8 | 149.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L36 A37 G42 | L36-G40 VanDerWaalsContact O-CA 3.31Å; L36-G40 WeakPolarHBondContact O-CA 3.35Å; L36-G40 PolarHBondContact O-N 2.86Å; A37-G40 PolarHBondContact O-N 3.2Å; G40-G42 VanDerWaalsContact C-N 3.31Å; G40-G42 PolarHBondContact O-N 2.8Å |
| 41 | P | 48.4 | Very low | 55.4 | Low | 132 Ų | 132 | 89 Ų | 89 | 86% | 0.857 | 54% | 0.538 | S | S | * | . | trans | -55.6 | 101.6 | -175.1 | 23 | -30.9 | 0 | 0 | 0 | 107.6 | S43 | P41-S43 PolarHBondContact O-N 3.47Å; P41-S43 VanDerWaalsContact O-N 3.12Å | ||
| 42 | G | 46.1 | Very low | 53.7 | Low | 56 Ų | 56 | 89.8 Ų | 89.8 | 58% | 0.577 | 53% | 0.534 | S | S | * | . | trans | -53.4 | 126.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | G40 T44 | G40-G42 VanDerWaalsContact C-N 3.31Å; G40-G42 PolarHBondContact O-N 2.8Å; G42-T44 WeakPolarHBondContact O-CA 3.39Å; G42-T44 PolarHBondContact O-N 2.85Å | ||
| 43 | S | 45.9 | Very low | 52.5 | Low | 125 Ų | 125 | 86 Ų | 86 | 87% | 0.874 | 52% | 0.519 | S | S | * | . | trans | -45.1 | 94.1 | 177.9 | -38 | 0 | 0 | 0 | 0 | 107.7 | P41 A45 | P41-S43 PolarHBondContact O-N 3.47Å; P41-S43 VanDerWaalsContact O-N 3.12Å; S43-A45 PolarHBondContact O-N 2.9Å | ||
| 44 | T | 43.3 | Very low | 51.2 | Low | 101 Ų | 101 | 82.9 Ų | 82.9 | 62% | 0.62 | 51% | 0.507 | S | S | * | . | trans | -69.6 | 114.1 | -175.3 | 24 | 0 | 0 | 0 | 0 | 103.8 | G42 L46 A151 | G42-T44 WeakPolarHBondContact O-CA 3.39Å; G42-T44 PolarHBondContact O-N 2.85Å; T44-L46 PolarHBondContact O-N 3.04Å; T44-A151 HydrophobicContact CG2-CB 4.28Å | ||
| 45 | A | 43.3 | Very low | 50.2 | Low | 96 Ų | 96 | 85.3 Ų | 85.3 | 79% | 0.793 | 51% | 0.512 | S | S | * | . | trans | -60 | 88.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107 | S43 Q47 | S43-A45 PolarHBondContact O-N 2.9Å; A45-Q47 PolarHBondContact O-N 2.82Å | ||
| 46 | L | 46.4 | Very low | 48.9 | Very low | 99 Ų | 99 | 86 Ų | 86 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | trans | -63.3 | 95.8 | 169.3 | -86.7 | 166.5 | 0 | 0 | 0 | 105 | T44 T48 | T44-L46 PolarHBondContact O-N 3.04Å; L46-T48 PolarHBondContact O-N 2.81Å; L46-T48 PolarHBondContact O-OG1 3.45Å | ||
| 47 | Q | 51.3 | Low | 47.8 | Very low | 125 Ų | 125 | 86.1 Ų | 86.1 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 96.1 | 168.7 | -165.6 | 170.2 | 17.8 | 0 | 0 | 105.9 | A45 V49 V149 | A45-Q47 PolarHBondContact O-N 2.82Å; Q47-V49 PolarHBondContact O-N 2.84Å; Q47-V149 PolarHBondContact O-N 2.8Å |
| 48 | T | 46.7 | Very low | 47.1 | Very low | 75 Ų | 75 | 85.5 Ų | 85.5 | 46% | 0.46 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 112.2 | 177.3 | -46.9 | 0 | 0 | 0 | 0 | 107.9 | L46 F146 | L46-T48 PolarHBondContact O-N 2.81Å; L46-T48 PolarHBondContact O-OG1 3.45Å; T48-F146 HydrophobicContact CG2-CB 3.65Å; T48-F146 HydrophobicContact CG2-CD1 3.63Å; T48-F146 HydrophobicContact CG2-CG 4.02Å |
| 49 | V | 46 | Very low | 46.6 | Very low | 12 Ų | 12 | 81.1 Ų | 81.1 | 7% | 0.073 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.3 | 171.4 | 176.3 | 0 | 0 | 0 | 0 | 107.4 | Q47 L51 F108 L147 V149 | Q47-V49 PolarHBondContact O-N 2.84Å; V49-L51 PolarHBondContact O-N 2.77Å; V49-F108 HydrophobicContact CB-CE1 4.24Å; V49-F108 HydrophobicContact CB-CZ 4.28Å; V49-F108 HydrophobicContact CG1-CE1 4.08Å; V49-F108 HydrophobicContact CG1-CE2 3.98Å; V49-F108 HydrophobicContact CG1-CZ 3.64Å; V49-F108 HydrophobicContact CG2-CE1 3.84Å; V49-F108 HydrophobicContact CG2-CZ 4Å; V49-L147 PolarHBondContact N-O 2.92Å; V49-L147 PolarHBondContact O-N 3.47Å; V49-V149 HydrophobicContact CB-CG2 4.3Å; V49-V149 HydrophobicContact CG2-CG2 3.44Å; V49-V149 VanDerWaalsContact CG2-CG2 3.44Å |
| 50 | R | 49.4 | Very low | 46.5 | Very low | 113 Ų | 113 | 85 Ų | 85 | 43% | 0.426 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 115.2 | 171.8 | -173.6 | -178.3 | 175.7 | 172.7 | -4.4 | 108.2 | T52 T144 F146 | R50-T52 VanDerWaalsContact C-N 3.31Å; R50-T52 WeakPolarHBondContact CD-OG1 3.3Å; R50-T52 WeakPolarHBondContact CG-OG1 3.29Å; R50-T52 PolarHBondContact O-N 2.86Å; R50-T52 PolarHBondContact O-OG1 3.35Å; R50-T144 HydrophobicContact CG-CG2 3.99Å; R50-F146 HydrophobicContact CB-CE1 4.42Å; R50-F146 HydrophobicContact CG-CE1 4.23Å |
| 51 | L | 52.1 | Low | 47.2 | Very low | 29 Ų | 29 | 84.2 Ų | 84.2 | 15% | 0.152 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 94.4 | 161.4 | -63.2 | 179.8 | 0 | 0 | 0 | 107.4 | V49 A53 Y99 R145 L147 | V49-L51 PolarHBondContact O-N 2.77Å; L51-A53 PolarHBondContact O-N 2.76Å; L51-Y99 HydrophobicContact CD2-CD1 3.02Å; L51-Y99 HydrophobicContact CD2-CE1 3.1Å; L51-Y99 HydrophobicContact CD2-CG 3.79Å; L51-Y99 HydrophobicContact CG-CD1 4.47Å; L51-Y99 HydrophobicContact CG-CE1 4.48Å; L51-R145 WeakPolarHBondContact CB-O 3.5Å; L51-R145 HydrophobicContact CD1-CB 4.04Å; L51-R145 PolarHBondContact N-O 3.2Å; L51-R145 VanDerWaalsContact N-O 3.16Å; L51-L147 HydrophobicContact CD1-CD1 3.51Å; L51-L147 HydrophobicContact CD1-CD2 4.37Å; L51-L147 HydrophobicContact CD1-CG 3.69Å; L51-L147 HydrophobicContact CD2-CD1 3.86Å; L51-L147 HydrophobicContact CD2-CG 4.5Å; L51-L147 HydrophobicContact CG-CD1 3.78Å; L51-L147 HydrophobicContact CG-CG 3.92Å |
| 52 | T | 44.6 | Very low | 48.3 | Very low | 63 Ų | 63 | 81.9 Ų | 81.9 | 39% | 0.387 | 49% | 0.494 | S | S | . | . | trans | -89.9 | 95.4 | 179.4 | -39.2 | 0 | 0 | 0 | 0 | 107.9 | R50 | R50-T52 VanDerWaalsContact C-N 3.31Å; R50-T52 WeakPolarHBondContact CD-OG1 3.3Å; R50-T52 WeakPolarHBondContact CG-OG1 3.29Å; R50-T52 PolarHBondContact O-N 2.86Å; R50-T52 PolarHBondContact O-OG1 3.35Å | ||
| 53 | A | 46.4 | Very low | 49.7 | Very low | 35 Ų | 35 | 79.5 Ų | 79.5 | 29% | 0.289 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 131.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | L51 | L51-A53 PolarHBondContact O-N 2.76Š|
| 54 | P | 44.7 | Very low | 51.5 | Low | 53 Ų | 53 | 75.8 Ų | 75.8 | 34% | 0.344 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 150.3 | -172.2 | -21.1 | 28.9 | 0 | 0 | 0 | 113.3 | L61 A80 | P54-L61 HydrophobicContact CB-CD2 4.16Å; P54-L61 HydrophobicContact CG-CD2 3.85Å; P54-A80 HydrophobicContact CG-CB 3.75Å |
| 55 | D | 44.3 | Very low | 53.5 | Low | 82 Ų | 82 | 71 Ų | 71 | 44% | 0.439 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 165.8 | -151.1 | -162.3 | 19.3 | 0 | 0 | 0 | 115.7 | T57 | D55-T57 PolarHBondContact O-N 3.26Å; D55-T57 PolarHBondContact O-OG1 3.25Å |
| 56 | Q | 40.4 | Very low | 55.6 | Low | 167 Ų | 167 | 69 Ų | 69 | 78% | 0.78 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -35.9 | 10.4 | -178.1 | -69.5 | 160.6 | 66.4 | 0 | 0 | 120.9 | G58 | Q56-G58 PolarHBondContact O-N 3.04Š|
| 57 | T | 40.9 | Very low | 57.6 | Low | 110 Ų | 110 | 64.6 Ų | 64.6 | 68% | 0.675 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -90.8 | 10.1 | -169.8 | 48.5 | 0 | 0 | 0 | 0 | 115.4 | D55 V59 | D55-T57 PolarHBondContact O-N 3.26Å; D55-T57 PolarHBondContact O-OG1 3.25Å; T57-V59 PolarHBondContact O-N 3.46Å; T57-V59 WeakPolarHBondContact OG1-CG2 3.38Å |
| 58 | G | 43.8 | Very low | 59.3 | Low | 65 Ų | 65 | 61.1 Ų | 61.1 | 67% | 0.67 | 35% | 0.35 | S | S | * | . | trans | 69.2 | 9.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q56 L60 | Q56-G58 PolarHBondContact O-N 3.04Å; G58-L60 PolarHBondContact O-N 3.2Å | ||
| 59 | V | 50.4 | Low | 61.2 | Low | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | trans | -61.9 | 124.2 | 171 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | T57 L61 A81 R142 | T57-V59 PolarHBondContact O-N 3.46Å; T57-V59 WeakPolarHBondContact OG1-CG2 3.38Å; V59-L61 PolarHBondContact O-N 3.06Å; V59-A81 HydrophobicContact CG1-CB 3.77Å; V59-R142 PolarHBondContact O-NH2 3.44Å; V59-R142 VanDerWaalsContact O-NH2 3.16Å | ||
| 60 | L | 53.5 | Low | 63.2 | Low | 158 Ų | 158 | 66 Ų | 66 | 83% | 0.827 | 37% | 0.372 | S | S | * | . | trans | -65.6 | 111.2 | 176.3 | -171.7 | 69.6 | 0 | 0 | 0 | 108.3 | G58 | G58-L60 PolarHBondContact O-N 3.2Š| ||
| 61 | L | 62.9 | Low | 65.1 | Low | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | trans | -83.1 | 127.5 | 171.2 | -69.5 | 169.1 | 0 | 0 | 0 | 107.4 | P54 V59 Q63 I78 A80 | P54-L61 HydrophobicContact CB-CD2 4.16Å; P54-L61 HydrophobicContact CG-CD2 3.85Å; V59-L61 PolarHBondContact O-N 3.06Å; L61-Q63 HydrophobicContact CB-CG 4.1Å; L61-Q63 PolarHBondContact O-N 2.78Å; L61-I78 HydrophobicContact CB-CG2 4.37Å; L61-I78 HydrophobicContact CD1-CG2 4.25Å; L61-I78 HydrophobicContact CD2-CG2 4.3Å; L61-A80 HydrophobicContact CD2-CB 4.35Å | ||
| 62 | N | 71.1 | Confident | 66.9 | Low | 83 Ų | 83 | 68.3 Ų | 68.3 | 44% | 0.444 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 116.8 | 172 | -167.7 | 4.6 | 0 | 0 | 0 | 108.1 | T79 Q134 | N62-T79 PolarHBondContact N-O 2.87Å; N62-T79 PolarHBondContact O-N 2.82Å; N62-Q134 PolarHBondContact OD1-NE2 2.89Å |
| 63 | Q | 76.6 | Confident | 69.1 | Low | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.028 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.1 | -173.3 | -63.1 | 177.5 | -13.4 | 0 | 0 | 109.4 | L61 S77 I78 L135 T140 | L61-Q63 HydrophobicContact CB-CG 4.1Å; L61-Q63 PolarHBondContact O-N 2.78Å; Q63-S77 WeakPolarHBondContact CA-O 3.27Å; Q63-I78 HydrophobicContact CG-CG1 4.3Å; Q63-I78 HydrophobicContact CG-CG2 4.3Å; Q63-L135 HydrophobicContact CB-CB 4.15Å; Q63-L135 PolarHBondContact O-N 3.32Å; Q63-T140 PolarHBondContact NE2-OG1 2.76Å; Q63-T140 PolarHBondContact OE1-OG1 3.09Å |
| 64 | T | 83.3 | Confident | 71.2 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 28% | 0.282 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 148.6 | 175.5 | 58.4 | 0 | 0 | 0 | 0 | 110 | L76 S77 V133 | T64-L76 CarbonylContact O-C 3.55Å; T64-L76 WeakPolarHBondContact O-CA 3.38Å; T64-S77 PolarHBondContact N-O 2.79Å; T64-S77 PolarHBondContact O-N 3.07Å; T64-V133 CarbonylContact C-O 3.58Å; T64-V133 WeakPolarHBondContact CA-O 3.39Å |
| 65 | A | 84.8 | Confident | 73.4 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109 | L67 T75 L76 V133 L135 | A65-L67 HydrophobicContact CB-CD2 4.38Å; A65-T75 CarbonylContact C-O 3.55Å; A65-T75 VanDerWaalsContact CA-O 3.29Å; A65-T75 WeakPolarHBondContact CA-O 3.4Å; A65-L76 HydrophobicContact CB-CD2 3.52Å; A65-V133 HydrophobicContact CB-CB 4.37Å; A65-V133 PolarHBondContact N-O 2.99Å; A65-V133 PolarHBondContact O-N 3.13Å; A65-L135 HydrophobicContact CB-CD1 3.78Å; A65-L135 HydrophobicContact CB-CD2 4.32Å; A65-L135 HydrophobicContact CB-CG 3.98Å |
| 66 | V | 88 | Confident | 75.5 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 32% | 0.321 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 116.7 | 166 | -168 | 0 | 0 | 0 | 0 | 106.9 | T75 D132 | V66-T75 PolarHBondContact N-O 2.95Å; V66-T75 PolarHBondContact O-N 2.65Å; V66-D132 VanDerWaalsContact CG2-OD1 3.24Å; V66-D132 WeakPolarHBondContact CG2-OD1 3.31Å |
| 67 | L | 88.6 | Confident | 77.8 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123 | 177.9 | -55.8 | -178.7 | 0 | 0 | 0 | 109.3 | A65 V74 L123 Q128 G131 V133 | A65-L67 HydrophobicContact CB-CD2 4.38Å; L67-V74 HydrophobicContact CD2-CB 4.46Å; L67-V74 HydrophobicContact CD2-CG1 3.94Å; L67-V74 HydrophobicContact CD2-CG2 3.96Å; L67-L123 HydrophobicContact CD2-CB 4.23Å; L67-Q128 HydrophobicContact CD1-CB 4.28Å; L67-G131 PolarHBondContact N-O 3.36Å; L67-V133 HydrophobicContact CD1-CG2 4.19Å |
| 68 | D | 87.8 | Confident | 79.7 | Confident | 52 Ų | 52 | 50 Ų | 50 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 83.1 | 170.7 | -177.7 | -7.7 | 0 | 0 | 0 | 109.4 | Q70 N71 H72 L73 | D68-Q70 PolarHBondContact O-N 2.96Å; D68-Q70 PolarHBondContact OD1-N 2.89Å; D68-N71 PolarHBondContact O-N 3.19Å; D68-N71 PolarHBondContact OD1-N 3.26Å; D68-N71 PolarHBondContact OD1-ND2 3.31Å; D68-N71 WeakPolarHBondContact OD2-CB 3.35Å; D68-N71 PolarHBondContact OD2-ND2 3.05Å; D68-H72 WeakPolarHBondContact O-CA 3.45Å; D68-H72 PolarHBondContact O-N 3.05Å; D68-L73 HydrophobicContact CB-CB 4.21Å; D68-L73 PolarHBondContact N-O 3.21Å; D68-L73 PolarHBondContact O-N 2.86Å |
| 69 | P | 85.9 | Confident | 81.6 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -29.3 | 179.7 | -21.3 | 33.1 | 0 | 0 | 0 | 112.9 | H72 L124 Q130 | P69-H72 PolarHBondContact O-N 3.02Å; P69-H72 PolarHBondContact O-ND1 2.77Å; P69-L124 HydrophobicContact CB-CD2 4.34Å; P69-L124 HydrophobicContact CG-CD2 4.11Å; P69-Q130 HydrophobicContact CG-CG 4.31Å |
| 70 | Q | 87.1 | Confident | 82.7 | Confident | 141 Ų | 141 | 46.8 Ų | 46.8 | 66% | 0.659 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -42.4 | -178.2 | -64.6 | -66.8 | -1.5 | 0 | 0 | 110.9 | D68 H72 | D68-Q70 PolarHBondContact O-N 2.96Å; D68-Q70 PolarHBondContact OD1-N 2.89Å; Q70-H72 PolarHBondContact O-ND1 3.48Å |
| 71 | N | 89.3 | Confident | 83.4 | Confident | 96 Ų | 96 | 43.3 Ų | 43.3 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 0.2 | 177.3 | -61.8 | -62.3 | 0 | 0 | 0 | 113.6 | D68 L73 | D68-N71 PolarHBondContact O-N 3.19Å; D68-N71 PolarHBondContact OD1-N 3.26Å; D68-N71 PolarHBondContact OD1-ND2 3.31Å; D68-N71 WeakPolarHBondContact OD2-CB 3.35Å; D68-N71 PolarHBondContact OD2-ND2 3.05Å; N71-L73 VanDerWaalsContact C-N 3.34Å; N71-L73 HydrophobicContact CB-CD1 3.82Å; N71-L73 HydrophobicContact CB-CG 3.95Å |
| 72 | H | 90.8 | Very high | 83.8 | Confident | 93 Ų | 93 | 45.4 Ų | 45.4 | 43% | 0.431 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 42.9 | 179.8 | -52.4 | 13.2 | 0 | 0 | 0 | 111.9 | D68 P69 Q70 V92 K93 | D68-H72 WeakPolarHBondContact O-CA 3.45Å; D68-H72 PolarHBondContact O-N 3.05Å; P69-H72 PolarHBondContact O-N 3.02Å; P69-H72 PolarHBondContact O-ND1 2.77Å; Q70-H72 PolarHBondContact O-ND1 3.48Å; H72-V92 HydrophobicContact CB-CB 4.14Å; H72-V92 WeakPolarHBondContact O-CB 3.49Å; H72-V92 WeakPolarHBondContact O-CG2 3.24Å; H72-V92 PolarHBondContact O-N 3.31Å; H72-K93 HydrophobicContact CB-CB 4.19Å |
| 73 | L | 91.5 | Very high | 84.1 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.5 | -178.3 | -53.6 | 171.1 | 0 | 0 | 0 | 110.9 | D68 N71 L89 F90 D91 P163 | D68-L73 HydrophobicContact CB-CB 4.21Å; D68-L73 PolarHBondContact N-O 3.21Å; D68-L73 PolarHBondContact O-N 2.86Å; N71-L73 VanDerWaalsContact C-N 3.34Å; N71-L73 HydrophobicContact CB-CD1 3.82Å; N71-L73 HydrophobicContact CB-CG 3.95Å; L73-L89 HydrophobicContact CB-CD1 4.38Å; L73-L89 HydrophobicContact CD2-CD1 4.46Å; L73-F90 WeakPolarHBondContact CA-O 3.44Å; L73-D91 HydrophobicContact CD2-CB 4.06Å; L73-P163 HydrophobicContact CD1-CG 3.39Å; L73-P163 HydrophobicContact CD2-CG 4.05Å; L73-P163 HydrophobicContact CG-CG 4.34Å |
| 74 | V | 90.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 121.7 | 167.2 | 176.9 | 0 | 0 | 0 | 0 | 107.8 | L67 L76 F90 V120 L123 L124 | L67-V74 HydrophobicContact CD2-CB 4.46Å; L67-V74 HydrophobicContact CD2-CG1 3.94Å; L67-V74 HydrophobicContact CD2-CG2 3.96Å; V74-L76 HydrophobicContact CG1-CD2 3.9Å; V74-L76 HydrophobicContact CG1-CG 4.33Å; V74-F90 HydrophobicContact CB-CB 4.22Å; V74-F90 HydrophobicContact CB-CD2 4.23Å; V74-F90 HydrophobicContact CG1-CD2 4.29Å; V74-F90 PolarHBondContact N-O 3.12Å; V74-F90 VanDerWaalsContact N-O 3.09Å; V74-F90 PolarHBondContact O-N 3.41Å; V74-V120 HydrophobicContact CG2-CB 4.23Å; V74-L123 HydrophobicContact CG1-CD1 4.16Å; V74-L124 HydrophobicContact CG2-CD1 4.22Å; V74-L124 HydrophobicContact CG2-CD2 3.76Å; V74-L124 HydrophobicContact CG2-CG 3.87Å |
| 75 | T | 91.4 | Very high | 84.5 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 22% | 0.221 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 113.8 | 177.4 | -52.8 | 0 | 0 | 0 | 0 | 109.6 | A65 V66 T87 V88 L89 | A65-T75 CarbonylContact C-O 3.55Å; A65-T75 VanDerWaalsContact CA-O 3.29Å; A65-T75 WeakPolarHBondContact CA-O 3.4Å; V66-T75 PolarHBondContact N-O 2.95Å; V66-T75 PolarHBondContact O-N 2.65Å; T75-T87 HydrophobicContact CG2-CG2 3.59Å; T75-V88 CarbonylContact C-O 3.59Å; T75-V88 WeakPolarHBondContact CA-O 3.4Å; T75-L89 VanDerWaalsContact OG1-CD1 3.27Å; T75-L89 WeakPolarHBondContact OG1-CD1 3.46Å |
| 76 | L | 88.1 | Confident | 84.7 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.6 | 174.2 | -53.8 | -176.2 | 0 | 0 | 0 | 109.6 | T64 A65 V74 T87 V88 F90 L135 | T64-L76 CarbonylContact O-C 3.55Å; T64-L76 WeakPolarHBondContact O-CA 3.38Å; A65-L76 HydrophobicContact CB-CD2 3.52Å; V74-L76 HydrophobicContact CG1-CD2 3.9Å; V74-L76 HydrophobicContact CG1-CG 4.33Å; L76-T87 CarbonylContact O-C 3.49Å; L76-T87 VanDerWaalsContact O-CA 3.3Å; L76-T87 WeakPolarHBondContact O-CA 3.45Å; L76-V88 HydrophobicContact CB-CB 4.32Å; L76-V88 PolarHBondContact N-O 3.28Å; L76-V88 PolarHBondContact O-N 2.86Å; L76-F90 HydrophobicContact CD1-CE2 3.73Å; L76-F90 HydrophobicContact CD1-CZ 4.45Å; L76-F90 HydrophobicContact CG-CE2 4.03Å; L76-L135 HydrophobicContact CD2-CD1 3.83Å |
| 77 | S | 87.3 | Confident | 84.8 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.7 | 173.8 | -64.1 | 0 | 0 | 0 | 0 | 109.9 | Q63 T64 | Q63-S77 WeakPolarHBondContact CA-O 3.27Å; T64-S77 PolarHBondContact N-O 2.79Å; T64-S77 PolarHBondContact O-N 3.07Å |
| 78 | I | 82.8 | Confident | 85 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 16% | 0.159 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 110.3 | -177.3 | -56.8 | 165.3 | 0 | 0 | 0 | 107.5 | L61 Q63 T85 S86 | L61-I78 HydrophobicContact CB-CG2 4.37Å; L61-I78 HydrophobicContact CD1-CG2 4.25Å; L61-I78 HydrophobicContact CD2-CG2 4.3Å; Q63-I78 HydrophobicContact CG-CG1 4.3Å; Q63-I78 HydrophobicContact CG-CG2 4.3Å; I78-T85 WeakPolarHBondContact O-CA 3.47Å; I78-S86 PolarHBondContact N-O 3.35Å; I78-S86 PolarHBondContact O-N 3.4Å |
| 79 | T | 82.1 | Confident | 85.3 | Confident | 37 Ų | 37 | 51 Ų | 51 | 23% | 0.227 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.5 | -179.6 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | N62 Q84 T85 | N62-T79 PolarHBondContact N-O 2.87Å; N62-T79 PolarHBondContact O-N 2.82Å; T79-Q84 WeakPolarHBondContact CA-O 3.44Å; T79-T85 PolarHBondContact OG1-OG1 3.13Å |
| 80 | A | 74.9 | Confident | 85.7 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 160.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P54 L61 G82 N83 Q84 | P54-A80 HydrophobicContact CG-CB 3.75Å; L61-A80 HydrophobicContact CD2-CB 4.35Å; A80-G82 PolarHBondContact O-N 2.83Å; A80-N83 PolarHBondContact O-N 2.93Å; A80-N83 VanDerWaalsContact O-N 3.07Å; A80-Q84 PolarHBondContact N-O 2.96Å |
| 81 | A | 66.6 | Low | 86 | Confident | 85 Ų | 85 | 42.6 Ų | 42.6 | 70% | 0.702 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 106.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V59 | V59-A81 HydrophobicContact CG1-CB 3.77Š|
| 82 | G | 71.3 | Confident | 86.2 | Confident | 55 Ų | 55 | 39.4 Ų | 39.4 | 57% | 0.567 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 127 | 6.3 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A80 Q84 | A80-G82 PolarHBondContact O-N 2.83Å; G82-Q84 PolarHBondContact O-N 3.09Å; G82-Q84 VanDerWaalsContact O-N 3.14Å |
| 83 | N | 78.6 | Confident | 86.3 | Confident | 144 Ų | 144 | 42 Ų | 42 | 77% | 0.77 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 24.6 | 176.8 | -61.1 | -15.5 | 0 | 0 | 0 | 114 | A80 | A80-N83 PolarHBondContact O-N 2.93Å; A80-N83 VanDerWaalsContact O-N 3.07Å |
| 84 | Q | 81.9 | Confident | 86.5 | Confident | 104 Ų | 104 | 45.3 Ų | 45.3 | 49% | 0.486 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 116.2 | 173.1 | -66.6 | -58.6 | -37.4 | 0 | 0 | 108.2 | T79 A80 G82 A102 | T79-Q84 WeakPolarHBondContact CA-O 3.44Å; A80-Q84 PolarHBondContact N-O 2.96Å; G82-Q84 PolarHBondContact O-N 3.09Å; G82-Q84 VanDerWaalsContact O-N 3.14Å; Q84-A102 HydrophobicContact CB-CB 3.74Å |
| 85 | T | 85.8 | Confident | 86.8 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.1 | -177.1 | -54.9 | 0 | 0 | 0 | 0 | 110.2 | I78 T79 A102 | I78-T85 WeakPolarHBondContact O-CA 3.47Å; T79-T85 PolarHBondContact OG1-OG1 3.13Å; T85-A102 WeakPolarHBondContact O-CA 3.35Å; T85-A102 VanDerWaalsContact O-CB 3.29Å; T85-A102 WeakPolarHBondContact O-CB 3.34Å |
| 86 | S | 88.6 | Confident | 86.9 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 145 | 168.4 | -58 | 0 | 0 | 0 | 0 | 109.7 | I78 Q100 A102 | I78-S86 PolarHBondContact N-O 3.35Å; I78-S86 PolarHBondContact O-N 3.4Å; S86-Q100 CarbonylContact C-O 3.6Å; S86-Q100 WeakPolarHBondContact CA-O 3.44Å; S86-A102 PolarHBondContact OG-N 2.67Å; S86-A102 VanDerWaalsContact OG-N 3.16Å |
| 87 | T | 91.5 | Very high | 87.2 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.3 | -176.7 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | T75 L76 Y99 Q100 L167 | T75-T87 HydrophobicContact CG2-CG2 3.59Å; L76-T87 CarbonylContact O-C 3.49Å; L76-T87 VanDerWaalsContact O-CA 3.3Å; L76-T87 WeakPolarHBondContact O-CA 3.45Å; T87-Y99 WeakPolarHBondContact O-CD2 3.44Å; T87-Q100 PolarHBondContact N-O 3.39Å; T87-Q100 PolarHBondContact O-N 3.04Å; T87-L167 HydrophobicContact CG2-CD1 3.65Å |
| 88 | V | 91.4 | Very high | 87.5 | Confident | 25 Ų | 25 | 44.2 Ų | 44.2 | 15% | 0.152 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.8 | 170.7 | -173.8 | 0 | 0 | 0 | 0 | 107.7 | T75 L76 F90 I97 C98 Y99 | T75-V88 CarbonylContact C-O 3.59Å; T75-V88 WeakPolarHBondContact CA-O 3.4Å; L76-V88 HydrophobicContact CB-CB 4.32Å; L76-V88 PolarHBondContact N-O 3.28Å; L76-V88 PolarHBondContact O-N 2.86Å; V88-F90 HydrophobicContact CB-CE2 4.2Å; V88-F90 HydrophobicContact CG1-CD2 4.09Å; V88-F90 HydrophobicContact CG1-CE1 4.47Å; V88-F90 HydrophobicContact CG1-CE2 3.47Å; V88-F90 VanDerWaalsContact CG1-CE2 3.47Å; V88-F90 HydrophobicContact CG1-CZ 3.7Å; V88-I97 HydrophobicContact CG1-CG2 3.66Å; V88-C98 CarbonylContact C-O 3.6Å; V88-C98 WeakPolarHBondContact CA-O 3.49Å; V88-Y99 HydrophobicContact CG2-CD2 3.71Å; V88-Y99 HydrophobicContact CG2-CE2 4.31Å |
| 89 | L | 94.4 | Very high | 88 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.3 | 174.4 | 176.2 | 63.6 | 0 | 0 | 0 | 109.5 | L73 T75 I97 C98 P163 L164 L167 | L73-L89 HydrophobicContact CB-CD1 4.38Å; L73-L89 HydrophobicContact CD2-CD1 4.46Å; T75-L89 VanDerWaalsContact OG1-CD1 3.27Å; T75-L89 WeakPolarHBondContact OG1-CD1 3.46Å; L89-I97 CarbonylContact O-C 3.48Å; L89-I97 WeakPolarHBondContact O-CA 3.31Å; L89-C98 PolarHBondContact N-O 2.74Å; L89-C98 PolarHBondContact O-N 3.35Å; L89-P163 HydrophobicContact CD1-CG 4.44Å; L89-P163 HydrophobicContact CD2-CB 3.83Å; L89-P163 HydrophobicContact CD2-CG 3.79Å; L89-L164 HydrophobicContact CB-CD2 4.45Å; L89-L164 HydrophobicContact CD2-CD2 3.65Å; L89-L164 HydrophobicContact CD2-CG 4.15Å; L89-L164 HydrophobicContact CG-CD2 4.07Å; L89-L167 HydrophobicContact CB-CD2 3.65Å; L89-L167 HydrophobicContact CD2-CD2 4.2Å |
| 90 | F | 93.6 | Very high | 88.4 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117 | 170 | -60.1 | -96.3 | 0 | 0 | 0 | 108.6 | L73 V74 L76 V88 I97 M112 V120 | L73-F90 WeakPolarHBondContact CA-O 3.44Å; V74-F90 HydrophobicContact CB-CB 4.22Å; V74-F90 HydrophobicContact CB-CD2 4.23Å; V74-F90 HydrophobicContact CG1-CD2 4.29Å; V74-F90 PolarHBondContact N-O 3.12Å; V74-F90 VanDerWaalsContact N-O 3.09Å; V74-F90 PolarHBondContact O-N 3.41Å; L76-F90 HydrophobicContact CD1-CE2 3.73Å; L76-F90 HydrophobicContact CD1-CZ 4.45Å; L76-F90 HydrophobicContact CG-CE2 4.03Å; V88-F90 HydrophobicContact CB-CE2 4.2Å; V88-F90 HydrophobicContact CG1-CD2 4.09Å; V88-F90 HydrophobicContact CG1-CE1 4.47Å; V88-F90 HydrophobicContact CG1-CE2 3.47Å; V88-F90 VanDerWaalsContact CG1-CE2 3.47Å; V88-F90 HydrophobicContact CG1-CZ 3.7Å; F90-I97 HydrophobicContact CD1-CD1 4.09Å; F90-I97 HydrophobicContact CD1-CG1 3.85Å; F90-I97 HydrophobicContact CD1-CG2 4.14Å; F90-I97 HydrophobicContact CE1-CD1 3.84Å; F90-I97 HydrophobicContact CE1-CG1 4.08Å; F90-I97 HydrophobicContact CE1-CG2 4.02Å; F90-I97 HydrophobicContact CZ-CG2 4.46Å; F90-M112 HydrophobicContact CD1-CE 4.34Å; F90-V120 HydrophobicContact CB-CG1 3.92Å; F90-V120 HydrophobicContact CD1-CG1 3.55Å; F90-V120 HydrophobicContact CD2-CG1 3.98Å; F90-V120 HydrophobicContact CE1-CG1 3.98Å; F90-V120 HydrophobicContact CE2-CG1 4.38Å; F90-V120 HydrophobicContact CG-CG1 3.55Å; F90-V120 HydrophobicContact CZ-CG1 4.38Å |
| 91 | D | 94.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 91.1 | 169.2 | -176.6 | -21.3 | 0 | 0 | 0 | 107.9 | L73 K93 H94 G95 L96 L164 | L73-D91 HydrophobicContact CD2-CB 4.06Å; D91-K93 VanDerWaalsContact C-N 3.28Å; D91-K93 PolarHBondContact O-N 2.86Å; D91-K93 PolarHBondContact OD1-N 3.26Å; D91-H94 PolarHBondContact O-N 2.82Å; D91-H94 IonicContact OD1-CG 3.97Å; D91-H94 PolarHBondContact OD1-N 2.78Å; D91-H94 IonicContact OD1-ND1 3.44Å; D91-H94 PolarHBondContact OD1-ND1 2.96Å; D91-H94 IonicContact OD2-CE1 3.04Å; D91-H94 IonicContact OD2-CG 3.31Å; D91-H94 IonicContact OD2-ND1 3.62Å; D91-H94 PolarHBondContact OD2-ND1 3.23Å; D91-G95 WeakPolarHBondContact O-CA 3.29Å; D91-G95 PolarHBondContact O-N 2.91Å; D91-L96 HydrophobicContact CB-CB 4.44Å; D91-L96 PolarHBondContact N-O 2.98Å; D91-L96 PolarHBondContact O-N 3.04Å; D91-L164 HydrophobicContact CB-CD1 4.33Å |
| 92 | V | 93.3 | Very high | 90 | Very high | 30 Ų | 30 | 39.8 Ų | 39.8 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -34.1 | -173.3 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | H72 G95 M112 Y117 V120 L124 | H72-V92 HydrophobicContact CB-CB 4.14Å; H72-V92 WeakPolarHBondContact O-CB 3.49Å; H72-V92 WeakPolarHBondContact O-CG2 3.24Å; H72-V92 PolarHBondContact O-N 3.31Å; V92-G95 PolarHBondContact O-N 2.72Å; V92-M112 HydrophobicContact CG2-CE 4.38Å; V92-Y117 HydrophobicContact CG1-CD1 3.94Å; V92-Y117 HydrophobicContact CG1-CE1 3.93Å; V92-V120 HydrophobicContact CG2-CB 4.36Å; V92-V120 HydrophobicContact CG2-CG2 3.63Å; V92-L124 HydrophobicContact CG2-CD1 4.45Å |
| 93 | K | 93.2 | Very high | 90.5 | Very high | 147 Ų | 147 | 43.1 Ų | 43.1 | 64% | 0.639 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -44.5 | 178.7 | 179.8 | -179.2 | 175.1 | -174.8 | 0 | 111.5 | H72 D91 | H72-K93 HydrophobicContact CB-CB 4.19Å; D91-K93 VanDerWaalsContact C-N 3.28Å; D91-K93 PolarHBondContact O-N 2.86Å; D91-K93 PolarHBondContact OD1-N 3.26Å |
| 94 | H | 95.1 | Very high | 90.7 | Very high | 90 Ų | 90 | 38.3 Ų | 38.3 | 42% | 0.417 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -2.8 | -179.8 | -53.9 | 111.2 | 0 | 0 | 0 | 113.5 | D91 L96 | D91-H94 PolarHBondContact O-N 2.82Å; D91-H94 IonicContact OD1-CG 3.97Å; D91-H94 PolarHBondContact OD1-N 2.78Å; D91-H94 IonicContact OD1-ND1 3.44Å; D91-H94 PolarHBondContact OD1-ND1 2.96Å; D91-H94 IonicContact OD2-CE1 3.04Å; D91-H94 IonicContact OD2-CG 3.31Å; D91-H94 IonicContact OD2-ND1 3.62Å; D91-H94 PolarHBondContact OD2-ND1 3.23Å; H94-L96 HydrophobicContact CB-CD1 4.28Å; H94-L96 HydrophobicContact CB-CG 4.46Å |
| 95 | G | 95.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 40 Ų | 40 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 37.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D91 V92 T111 M112 Y117 | D91-G95 WeakPolarHBondContact O-CA 3.29Å; D91-G95 PolarHBondContact O-N 2.91Å; V92-G95 PolarHBondContact O-N 2.72Å; G95-T111 WeakPolarHBondContact O-CA 3.45Å; G95-M112 PolarHBondContact O-N 2.84Å; G95-Y117 WeakPolarHBondContact CA-OH 3.4Å |
| 96 | L | 95.3 | Very high | 91.3 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.3 | -175.9 | -66.2 | 173.3 | 0 | 0 | 0 | 111.6 | D91 H94 L109 Q110 L164 | D91-L96 HydrophobicContact CB-CB 4.44Å; D91-L96 PolarHBondContact N-O 2.98Å; D91-L96 PolarHBondContact O-N 3.04Å; H94-L96 HydrophobicContact CB-CD1 4.28Å; H94-L96 HydrophobicContact CB-CG 4.46Å; L96-L109 HydrophobicContact CB-CD1 4.35Å; L96-L109 HydrophobicContact CD1-CD1 4.49Å; L96-L109 HydrophobicContact CD2-CD1 4.44Å; L96-L109 HydrophobicContact CD2-CG 4.44Å; L96-Q110 CarbonylContact C-O 3.5Å; L96-Q110 WeakPolarHBondContact CA-O 3.36Å; L96-L164 HydrophobicContact CB-CD1 4.12Å; L96-L164 HydrophobicContact CD1-CD1 3.79Å |
| 97 | I | 93.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129 | 169.1 | -46.5 | 176.9 | 0 | 0 | 0 | 106.8 | V88 L89 F90 L109 Q110 M112 D116 | V88-I97 HydrophobicContact CG1-CG2 3.66Å; L89-I97 CarbonylContact O-C 3.48Å; L89-I97 WeakPolarHBondContact O-CA 3.31Å; F90-I97 HydrophobicContact CD1-CD1 4.09Å; F90-I97 HydrophobicContact CD1-CG1 3.85Å; F90-I97 HydrophobicContact CD1-CG2 4.14Å; F90-I97 HydrophobicContact CE1-CD1 3.84Å; F90-I97 HydrophobicContact CE1-CG1 4.08Å; F90-I97 HydrophobicContact CE1-CG2 4.02Å; F90-I97 HydrophobicContact CZ-CG2 4.46Å; I97-L109 CarbonylContact O-C 3.59Å; I97-L109 WeakPolarHBondContact O-CA 3.32Å; I97-Q110 HydrophobicContact CB-CB 4.36Å; I97-Q110 PolarHBondContact N-O 3Å; I97-Q110 PolarHBondContact O-N 2.81Å; I97-M112 HydrophobicContact CD1-CG 3.92Å; I97-M112 HydrophobicContact CG1-CB 4.43Å; I97-M112 HydrophobicContact CG1-CG 3.38Å; I97-D116 HydrophobicContact CD1-CB 3.95Å |
| 98 | C | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.9 | 169 | -169 | 0 | 0 | 0 | 0 | 110.6 | V88 L89 F108 L109 L164 L167 C168 | V88-C98 CarbonylContact C-O 3.6Å; V88-C98 WeakPolarHBondContact CA-O 3.49Å; L89-C98 PolarHBondContact N-O 2.74Å; L89-C98 PolarHBondContact O-N 3.35Å; C98-F108 WeakPolarHBondContact CA-O 3.36Å; C98-L109 HydrophobicContact CB-CD1 4.14Å; C98-L164 HydrophobicContact CB-CD2 3.3Å; C98-L167 HydrophobicContact CB-CD2 4.06Å; C98-C168 PolarHBondContact SG-SG 2.97Å |
| 99 | Y | 92.1 | Very high | 91.6 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 10% | 0.102 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.9 | 173.6 | 174.2 | -118.3 | 0 | 0 | 0 | 110.5 | L51 T87 V88 P101 C107 F108 | L51-Y99 HydrophobicContact CD2-CD1 3.02Å; L51-Y99 HydrophobicContact CD2-CE1 3.1Å; L51-Y99 HydrophobicContact CD2-CG 3.79Å; L51-Y99 HydrophobicContact CG-CD1 4.47Å; L51-Y99 HydrophobicContact CG-CE1 4.48Å; T87-Y99 WeakPolarHBondContact O-CD2 3.44Å; V88-Y99 HydrophobicContact CG2-CD2 3.71Å; V88-Y99 HydrophobicContact CG2-CE2 4.31Å; Y99-P101 HydrophobicContact CD1-CG 3.85Å; Y99-P101 HydrophobicContact CE1-CB 3.75Å; Y99-P101 HydrophobicContact CE1-CG 3.41Å; Y99-P101 VanDerWaalsContact CE1-CG 3.41Å; Y99-C107 WeakPolarHBondContact O-CA 3.49Å; Y99-F108 AromaticContact CD1-CD2 3.8Å; Y99-F108 HydrophobicContact CD1-CD2 3.8Å; Y99-F108 HydrophobicContact CE1-CD2 4.43Å; Y99-F108 PolarHBondContact N-O 3.32Å; Y99-F108 PolarHBondContact O-N 2.85Å |
| 100 | Q | 92.3 | Very high | 91.6 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 104.3 | 169.5 | -177.2 | -166.4 | -31.2 | 0 | 0 | 108.7 | S86 T87 L167 | S86-Q100 CarbonylContact C-O 3.6Å; S86-Q100 WeakPolarHBondContact CA-O 3.44Å; T87-Q100 PolarHBondContact N-O 3.39Å; T87-Q100 PolarHBondContact O-N 3.04Å; Q100-L167 HydrophobicContact CB-CD1 4.33Å; Q100-L167 HydrophobicContact CB-CG 4.19Å; Q100-L167 PolarHBondContact OE1-O 3.44Å |
| 101 | P | 88.1 | Confident | 91.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -66.1 | 145 | 169.7 | -3.8 | 16.9 | 0 | 0 | 0 | 111.1 | Y99 D103 Q104 R106 F108 R171 | Y99-P101 HydrophobicContact CD1-CG 3.85Å; Y99-P101 HydrophobicContact CE1-CB 3.75Å; Y99-P101 HydrophobicContact CE1-CG 3.41Å; Y99-P101 VanDerWaalsContact CE1-CG 3.41Å; P101-D103 VanDerWaalsContact C-N 3.3Å; P101-D103 PolarHBondContact O-N 3.48Å; P101-Q104 HydrophobicContact CB-CB 4.07Å; P101-Q104 HydrophobicContact CB-CG 4.25Å; P101-Q104 HydrophobicContact CG-CB 4.01Å; P101-Q104 HydrophobicContact CG-CG 4.43Å; P101-R106 WeakPolarHBondContact CD-O 3.42Å; P101-F108 HydrophobicContact CG-CD2 4.04Å; P101-F108 HydrophobicContact CG-CE2 3.73Å; P101-R171 PolarHBondContact O-NH1 3.44Å | ||
| 102 | A | 86.7 | Confident | 91.4 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q84 T85 S86 | Q84-A102 HydrophobicContact CB-CB 3.74Å; T85-A102 WeakPolarHBondContact O-CA 3.35Å; T85-A102 VanDerWaalsContact O-CB 3.29Å; T85-A102 WeakPolarHBondContact O-CB 3.34Å; S86-A102 PolarHBondContact OG-N 2.67Å; S86-A102 VanDerWaalsContact OG-N 3.16Å |
| 103 | D | 81.9 | Confident | 91.3 | Very high | 125 Ų | 125 | 45.3 Ų | 45.3 | 67% | 0.668 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 4.7 | -164.1 | 64.5 | -26.6 | 0 | 0 | 0 | 114.3 | P101 | P101-D103 VanDerWaalsContact C-N 3.3Å; P101-D103 PolarHBondContact O-N 3.48Å |
| 104 | Q | 81.9 | Confident | 91.2 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 21% | 0.206 | 23% | 0.228 | C | C | . | . | trans | -131.1 | 138.6 | -174.4 | -62.3 | 179.5 | 47.8 | 0 | 0 | 112.8 | P101 R106 R171 | P101-Q104 HydrophobicContact CB-CB 4.07Å; P101-Q104 HydrophobicContact CB-CG 4.25Å; P101-Q104 HydrophobicContact CG-CB 4.01Å; P101-Q104 HydrophobicContact CG-CG 4.43Å; Q104-R106 PolarHBondContact O-N 2.82Å; Q104-R171 PolarHBondContact O-NH1 2.94Å | ||
| 105 | Q | 89.4 | Confident | 90.8 | Very high | 140 Ų | 140 | 46.1 Ų | 46.1 | 65% | 0.654 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -76.7 | 33.2 | 175.4 | -65.8 | -63.7 | -15.8 | 0 | 0 | 113.7 | T172 | Q105-T172 PolarHBondContact O-N 3.04Š|
| 106 | R | 90.1 | Very high | 90.5 | Very high | 83 Ų | 83 | 46 Ų | 46 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147.2 | -173.9 | -55.4 | -174.5 | -72 | -173.2 | -3.4 | 110.2 | P101 Q104 F108 T172 | P101-R106 WeakPolarHBondContact CD-O 3.42Å; Q104-R106 PolarHBondContact O-N 2.82Å; R106-F108 HydrophobicContact CB-CZ 4.28Å; R106-T172 CarbonylContact C-O 3.49Å; R106-T172 VanDerWaalsContact CA-O 3.25Å; R106-T172 WeakPolarHBondContact CA-O 3.38Å; R106-T172 WeakPolarHBondContact CG-OG1 3.39Å |
| 107 | C | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 152.9 | 168.6 | -82.4 | 0 | 0 | 0 | 0 | 110.3 | Y99 C168 T172 V173 H174 | Y99-C107 WeakPolarHBondContact O-CA 3.49Å; C107-C168 HydrophobicContact CB-CB 3.77Å; C107-C168 WeakPolarHBondContact CB-SG 3.42Å; C107-C168 WeakPolarHBondContact SG-CA 3.39Å; C107-C168 WeakPolarHBondContact SG-CB 3.18Å; C107-C168 CovalentContact SG-SG 2.03Å; C107-C168 PolarHBondContact SG-SG 3.39Å; C107-T172 PolarHBondContact N-O 3.44Å; C107-V173 HydrophobicContact CB-CG2 3.99Å; C107-V173 WeakPolarHBondContact O-CA 3.41Å; C107-H174 PolarHBondContact O-N 3.24Å |
| 108 | F | 92.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 116.8 | 178.4 | -59.2 | -77.8 | 0 | 0 | 0 | 109.5 | V49 C98 Y99 P101 R106 L147 V149 H174 T176 | V49-F108 HydrophobicContact CB-CE1 4.24Å; V49-F108 HydrophobicContact CB-CZ 4.28Å; V49-F108 HydrophobicContact CG1-CE1 4.08Å; V49-F108 HydrophobicContact CG1-CE2 3.98Å; V49-F108 HydrophobicContact CG1-CZ 3.64Å; V49-F108 HydrophobicContact CG2-CE1 3.84Å; V49-F108 HydrophobicContact CG2-CZ 4Å; C98-F108 WeakPolarHBondContact CA-O 3.36Å; Y99-F108 AromaticContact CD1-CD2 3.8Å; Y99-F108 HydrophobicContact CD1-CD2 3.8Å; Y99-F108 HydrophobicContact CE1-CD2 4.43Å; Y99-F108 PolarHBondContact N-O 3.32Å; Y99-F108 PolarHBondContact O-N 2.85Å; P101-F108 HydrophobicContact CG-CD2 4.04Å; P101-F108 HydrophobicContact CG-CE2 3.73Å; R106-F108 HydrophobicContact CB-CZ 4.28Å; F108-L147 HydrophobicContact CB-CD1 4.37Å; F108-V149 HydrophobicContact CD1-CG2 4.24Å; F108-V149 HydrophobicContact CE1-CG2 3.89Å; F108-H174 WeakPolarHBondContact CA-O 3.35Å; F108-H174 HydrophobicContact CD1-CB 4.16Å; F108-H174 HydrophobicContact CE1-CB 4.38Å; F108-T176 HydrophobicContact CB-CG2 3.87Å; F108-T176 HydrophobicContact CD1-CG2 3.55Å; F108-T176 HydrophobicContact CG-CG2 4.12Å |
| 109 | L | 93.9 | Very high | 89.6 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.7 | 178.7 | -170.7 | 72.4 | 0 | 0 | 0 | 109 | L96 I97 C98 V155 L160 L164 V173 H174 R175 T176 | L96-L109 HydrophobicContact CB-CD1 4.35Å; L96-L109 HydrophobicContact CD1-CD1 4.49Å; L96-L109 HydrophobicContact CD2-CD1 4.44Å; L96-L109 HydrophobicContact CD2-CG 4.44Å; I97-L109 CarbonylContact O-C 3.59Å; I97-L109 WeakPolarHBondContact O-CA 3.32Å; C98-L109 HydrophobicContact CB-CD1 4.14Å; L109-V155 HydrophobicContact CD2-CG2 4.46Å; L109-L160 HydrophobicContact CD2-CD2 3.85Å; L109-L164 HydrophobicContact CD1-CD1 4.49Å; L109-V173 HydrophobicContact CB-CG1 3.79Å; L109-H174 PolarHBondContact N-O 3.41Å; L109-R175 CarbonylContact O-C 3.59Å; L109-R175 WeakPolarHBondContact O-CA 3.23Å; L109-T176 PolarHBondContact O-N 3.49Å; L109-T176 PolarHBondContact O-OG1 3.42Å; L109-T176 VanDerWaalsContact O-OG1 3.07Å |
| 110 | Q | 92.4 | Very high | 89.2 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 147.9 | 179.5 | -172 | -178.3 | -1.6 | 0 | 0 | 109.7 | L96 I97 | L96-Q110 CarbonylContact C-O 3.5Å; L96-Q110 WeakPolarHBondContact CA-O 3.36Å; I97-Q110 HydrophobicContact CB-CB 4.36Å; I97-Q110 PolarHBondContact N-O 3Å; I97-Q110 PolarHBondContact O-N 2.81Å |
| 111 | T | 93.1 | Very high | 88.8 | Confident | 83 Ų | 83 | 54.6 Ų | 54.6 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 133.3 | 166.2 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | G95 | G95-T111 WeakPolarHBondContact O-CA 3.45Å |
| 112 | M | 92.3 | Very high | 88.5 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 6% | 0.064 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 138.6 | 178 | -72.5 | -179.7 | 72.6 | 0 | 0 | 111.7 | F90 V92 G95 I97 D116 Y117 V120 | F90-M112 HydrophobicContact CD1-CE 4.34Å; V92-M112 HydrophobicContact CG2-CE 4.38Å; G95-M112 PolarHBondContact O-N 2.84Å; I97-M112 HydrophobicContact CD1-CG 3.92Å; I97-M112 HydrophobicContact CG1-CB 4.43Å; I97-M112 HydrophobicContact CG1-CG 3.38Å; M112-D116 HydrophobicContact CB-CB 4.38Å; M112-D116 HydrophobicContact CE-CB 4.05Å; M112-D116 HydrophobicContact CG-CB 4.46Å; M112-Y117 HydrophobicContact CB-CD2 4.09Å; M112-Y117 HydrophobicContact CB-CE2 3.52Å; M112-Y117 HydrophobicContact CE-CD1 3.72Å; M112-Y117 HydrophobicContact CE-CD2 4.29Å; M112-Y117 HydrophobicContact CE-CE1 3.91Å; M112-Y117 HydrophobicContact CE-CE2 4.46Å; M112-Y117 HydrophobicContact CE-CG 3.93Å; M112-Y117 HydrophobicContact SD-CD1 4.45Å; M112-Y117 HydrophobicContact SD-CE1 4.03Å; M112-V120 HydrophobicContact CE-CG2 3.83Å |
| 113 | E | 91.5 | Very high | 88 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 167.9 | 168.1 | -67.7 | 174.7 | -161.9 | 0 | 0 | 110.5 | S115 D116 Y117 R178 | E113-S115 PolarHBondContact O-N 3.01Å; E113-D116 PolarHBondContact N-OD2 3.24Å; E113-D116 WeakPolarHBondContact O-CA 3.19Å; E113-D116 WeakPolarHBondContact O-CB 3.45Å; E113-D116 PolarHBondContact O-N 2.86Å; E113-Y117 VanDerWaalsContact O-CD2 3.3Å; E113-Y117 WeakPolarHBondContact O-CD2 3.45Å; E113-Y117 PolarHBondContact O-N 3.45Å; E113-R178 WeakPolarHBondContact OE1-CB 3.5Å; E113-R178 IonicContact OE2-CZ 3.75Å; E113-R178 IonicContact OE2-NE 3.74Å; E113-R178 IonicContact OE2-NH1 3.59Å; E113-R178 PolarHBondContact OE2-NH1 3.48Å |
| 114 | R | 91.1 | Very high | 87.8 | Confident | 208 Ų | 208 | 54.6 Ų | 54.6 | 79% | 0.785 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -54.4 | -40.5 | -177.3 | -160.8 | 164.3 | -171.3 | 101.6 | 0.4 | 113 | D116 Y117 D118 | R114-D116 PolarHBondContact O-N 2.92Å; R114-Y117 WeakPolarHBondContact O-CB 3.17Å; R114-Y117 PolarHBondContact O-N 2.96Å; R114-D118 PolarHBondContact O-N 2.93Å |
| 115 | S | 86.4 | Confident | 87.3 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 33% | 0.329 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -30.7 | 175.2 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | E113 H119 R178 | E113-S115 PolarHBondContact O-N 3.01Å; S115-H119 WeakPolarHBondContact O-CB 3.46Å; S115-H119 PolarHBondContact O-N 3.31Å; S115-H119 VanDerWaalsContact O-N 3.14Å; S115-R178 PolarHBondContact OG-NH1 3.04Å |
| 116 | D | 88.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -77.6 | -39.8 | -179.4 | -54.1 | -47.3 | 0 | 0 | 0 | 109.9 | I97 M112 E113 R114 H119 V120 R145 R178 | I97-D116 HydrophobicContact CD1-CB 3.95Å; M112-D116 HydrophobicContact CB-CB 4.38Å; M112-D116 HydrophobicContact CE-CB 4.05Å; M112-D116 HydrophobicContact CG-CB 4.46Å; E113-D116 PolarHBondContact N-OD2 3.24Å; E113-D116 WeakPolarHBondContact O-CA 3.19Å; E113-D116 WeakPolarHBondContact O-CB 3.45Å; E113-D116 PolarHBondContact O-N 2.86Å; R114-D116 PolarHBondContact O-N 2.92Å; D116-H119 PolarHBondContact O-N 2.7Å; D116-V120 WeakPolarHBondContact O-CG2 3.11Å; D116-V120 PolarHBondContact O-N 3.32Å; D116-R145 IonicContact OD1-CZ 4Å; D116-R145 IonicContact OD1-NH1 3.52Å; D116-R145 IonicContact OD1-NH2 3.8Å; D116-R178 IonicContact OD1-CZ 2.72Å; D116-R178 IonicContact OD1-NH2 2.86Å; D116-R178 PolarHBondContact OD1-NH2 3.2Å; D116-R178 IonicContact OD2-NH2 2.7Å; D116-R178 PolarHBondContact OD2-NH2 3.31Å |
| 117 | Y | 91.1 | Very high | 84.7 | Confident | 93 Ų | 93 | 54.5 Ų | 54.5 | 37% | 0.365 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 170.2 | -72.6 | -76.9 | 0 | 0 | 0 | 112.2 | V92 G95 M112 E113 R114 H119 G121 | V92-Y117 HydrophobicContact CG1-CD1 3.94Å; V92-Y117 HydrophobicContact CG1-CE1 3.93Å; G95-Y117 WeakPolarHBondContact CA-OH 3.4Å; M112-Y117 HydrophobicContact CB-CD2 4.09Å; M112-Y117 HydrophobicContact CB-CE2 3.52Å; M112-Y117 HydrophobicContact CE-CD1 3.72Å; M112-Y117 HydrophobicContact CE-CD2 4.29Å; M112-Y117 HydrophobicContact CE-CE1 3.91Å; M112-Y117 HydrophobicContact CE-CE2 4.46Å; M112-Y117 HydrophobicContact CE-CG 3.93Å; M112-Y117 HydrophobicContact SD-CD1 4.45Å; M112-Y117 HydrophobicContact SD-CE1 4.03Å; E113-Y117 VanDerWaalsContact O-CD2 3.3Å; E113-Y117 WeakPolarHBondContact O-CD2 3.45Å; E113-Y117 PolarHBondContact O-N 3.45Å; R114-Y117 WeakPolarHBondContact O-CB 3.17Å; R114-Y117 PolarHBondContact O-N 2.96Å; Y117-H119 VanDerWaalsContact C-N 3.31Å; Y117-H119 PolarHBondContact O-N 3.03Å; Y117-G121 WeakPolarHBondContact O-CA 3.28Å; Y117-G121 PolarHBondContact O-N 3.14Å |
| 118 | D | 88.7 | Confident | 83.1 | Confident | 105 Ų | 105 | 58.3 Ų | 58.3 | 56% | 0.561 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 178.6 | -62 | -28.3 | 0 | 0 | 0 | 111 | R114 S122 | R114-D118 PolarHBondContact O-N 2.93Å; D118-S122 PolarHBondContact O-N 3.2Å; D118-S122 VanDerWaalsContact O-N 3.17Å |
| 119 | H | 83.3 | Confident | 81.3 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 28% | 0.282 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -55.4 | 177.7 | 179.5 | 55.4 | 0 | 0 | 0 | 112.2 | S115 D116 Y117 G121 S122 L123 | S115-H119 WeakPolarHBondContact O-CB 3.46Å; S115-H119 PolarHBondContact O-N 3.31Å; S115-H119 VanDerWaalsContact O-N 3.14Å; D116-H119 PolarHBondContact O-N 2.7Å; Y117-H119 VanDerWaalsContact C-N 3.31Å; Y117-H119 PolarHBondContact O-N 3.03Å; H119-G121 VanDerWaalsContact C-N 3.32Å; H119-G121 PolarHBondContact O-N 3.44Å; H119-S122 PolarHBondContact O-N 3.01Å; H119-S122 PolarHBondContact O-OG 3.23Å; H119-L123 PolarHBondContact O-N 3.36Å |
| 120 | V | 85.2 | Confident | 79.7 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.9 | -31.5 | -178.6 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | V74 F90 V92 M112 D116 S122 L123 L124 | V74-V120 HydrophobicContact CG2-CB 4.23Å; F90-V120 HydrophobicContact CB-CG1 3.92Å; F90-V120 HydrophobicContact CD1-CG1 3.55Å; F90-V120 HydrophobicContact CD2-CG1 3.98Å; F90-V120 HydrophobicContact CE1-CG1 3.98Å; F90-V120 HydrophobicContact CE2-CG1 4.38Å; F90-V120 HydrophobicContact CG-CG1 3.55Å; F90-V120 HydrophobicContact CZ-CG1 4.38Å; V92-V120 HydrophobicContact CG2-CB 4.36Å; V92-V120 HydrophobicContact CG2-CG2 3.63Å; M112-V120 HydrophobicContact CE-CG2 3.83Å; D116-V120 WeakPolarHBondContact O-CG2 3.11Å; D116-V120 PolarHBondContact O-N 3.32Å; V120-S122 VanDerWaalsContact C-N 3.3Å; V120-S122 PolarHBondContact O-N 3.19Å; V120-L123 PolarHBondContact O-N 3.49Å; V120-L124 WeakPolarHBondContact O-CG 3.45Å; V120-L124 PolarHBondContact O-N 3.36Å |
| 121 | G | 84.1 | Confident | 78.3 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 29% | 0.289 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y117 H119 L123 L124 S125 | Y117-G121 WeakPolarHBondContact O-CA 3.28Å; Y117-G121 PolarHBondContact O-N 3.14Å; H119-G121 VanDerWaalsContact C-N 3.32Å; H119-G121 PolarHBondContact O-N 3.44Å; G121-L123 VanDerWaalsContact C-N 3.34Å; G121-L123 PolarHBondContact O-N 3.43Å; G121-L124 PolarHBondContact O-N 3.26Å; G121-S125 VanDerWaalsContact O-CB 3.28Å; G121-S125 WeakPolarHBondContact O-CB 3.3Å; G121-S125 PolarHBondContact O-N 3.17Å; G121-S125 PolarHBondContact O-OG 2.83Å |
| 122 | S | 80.1 | Confident | 77.2 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 53% | 0.531 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 175.6 | 73.4 | 0 | 0 | 0 | 0 | 113.1 | D118 H119 V120 G126 | D118-S122 PolarHBondContact O-N 3.2Å; D118-S122 VanDerWaalsContact O-N 3.17Å; H119-S122 PolarHBondContact O-N 3.01Å; H119-S122 PolarHBondContact O-OG 3.23Å; V120-S122 VanDerWaalsContact C-N 3.3Å; V120-S122 PolarHBondContact O-N 3.19Å; S122-G126 PolarHBondContact O-N 2.94Å |
| 123 | L | 77.7 | Confident | 76.2 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 13% | 0.126 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69 | -44.4 | 175.4 | -64.5 | 173.6 | 0 | 0 | 0 | 111.9 | L67 V74 H119 V120 G121 S125 G126 | L67-L123 HydrophobicContact CD2-CB 4.23Å; V74-L123 HydrophobicContact CG1-CD1 4.16Å; H119-L123 PolarHBondContact O-N 3.36Å; V120-L123 PolarHBondContact O-N 3.49Å; G121-L123 VanDerWaalsContact C-N 3.34Å; G121-L123 PolarHBondContact O-N 3.43Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 3.44Å; L123-G126 PolarHBondContact O-N 2.67Å |
| 124 | L | 76.3 | Confident | 75.3 | Confident | 47 Ų | 47 | 78.2 Ų | 78.2 | 25% | 0.246 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -71 | -25.6 | -180 | -68.7 | 172 | 0 | 0 | 0 | 113.4 | P69 V74 V92 V120 G121 | P69-L124 HydrophobicContact CB-CD2 4.34Å; P69-L124 HydrophobicContact CG-CD2 4.11Å; V74-L124 HydrophobicContact CG2-CD1 4.22Å; V74-L124 HydrophobicContact CG2-CD2 3.76Å; V74-L124 HydrophobicContact CG2-CG 3.87Å; V92-L124 HydrophobicContact CG2-CD1 4.45Å; V120-L124 WeakPolarHBondContact O-CG 3.45Å; V120-L124 PolarHBondContact O-N 3.36Å; G121-L124 PolarHBondContact O-N 3.26Å |
| 125 | S | 72.9 | Confident | 74.3 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 73% | 0.727 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -6.4 | -179.2 | -50.1 | 0 | 0 | 0 | 0 | 113.4 | G121 L123 | G121-S125 VanDerWaalsContact O-CB 3.28Å; G121-S125 WeakPolarHBondContact O-CB 3.3Å; G121-S125 PolarHBondContact O-N 3.17Å; G121-S125 PolarHBondContact O-OG 2.83Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 3.44Å |
| 126 | G | 66.5 | Low | 73 | Confident | 27 Ų | 27 | 69.7 Ų | 69.7 | 28% | 0.278 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -66.2 | 162.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | S122 L123 Q128 | S122-G126 PolarHBondContact O-N 2.94Å; L123-G126 PolarHBondContact O-N 2.67Å; G126-Q128 PolarHBondContact O-N 3.49Å |
| 127 | P | 58.1 | Low | 71.5 | Confident | 134 Ų | 134 | 71.4 Ų | 71.4 | 87% | 0.87 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -67.7 | 6.6 | 176.7 | 29.7 | -35.2 | 0 | 0 | 0 | 113.6 | N129 | P127-N129 PolarHBondContact O-N 3.27Š|
| 128 | Q | 59.5 | Low | 69.8 | Low | 79 Ų | 79 | 72.5 Ų | 72.5 | 37% | 0.369 | 43% | 0.43 | S | S | . | . | trans | -73.4 | 111.5 | 177.8 | -80.3 | 171.3 | -2.5 | 0 | 0 | 109.4 | L67 G126 V133 | L67-Q128 HydrophobicContact CD1-CB 4.28Å; G126-Q128 PolarHBondContact O-N 3.49Å; Q128-V133 HydrophobicContact CB-CG2 4.14Å; Q128-V133 HydrophobicContact CG-CG1 4.49Å; Q128-V133 HydrophobicContact CG-CG2 4.11Å; Q128-V133 VanDerWaalsContact OE1-CG1 3.28Å | ||
| 129 | N | 54.2 | Low | 68.1 | Low | 148 Ų | 148 | 72.4 Ų | 72.4 | 79% | 0.791 | 43% | 0.426 | S | S | * | . | trans | -58.1 | 149.7 | 169.4 | -72.6 | -36.3 | 0 | 0 | 0 | 110.4 | P127 G131 | P127-N129 PolarHBondContact O-N 3.27Å; N129-G131 PolarHBondContact O-N 3.46Å | ||
| 130 | Q | 59.4 | Low | 66.9 | Low | 135 Ų | 135 | 70.6 Ų | 70.6 | 63% | 0.631 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -39.1 | 131.6 | 174.4 | -73.2 | 169.4 | 7.6 | 0 | 0 | 112.2 | P69 | P69-Q130 HydrophobicContact CG-CG 4.31Š|
| 131 | G | 64 | Low | 65.2 | Low | 30 Ų | 30 | 76.8 Ų | 76.8 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 139 | -164.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L67 N129 | L67-G131 PolarHBondContact N-O 3.36Å; N129-G131 PolarHBondContact O-N 3.46Å |
| 132 | D | 69.8 | Low | 63.9 | Low | 132 Ų | 132 | 80.8 Ų | 80.8 | 71% | 0.706 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.1 | 177.5 | -68.8 | -16.6 | 0 | 0 | 0 | 110.4 | V66 | V66-D132 VanDerWaalsContact CG2-OD1 3.24Å; V66-D132 WeakPolarHBondContact CG2-OD1 3.31Å |
| 133 | V | 72.4 | Confident | 62.6 | Low | 15 Ų | 15 | 84.4 Ų | 84.4 | 9% | 0.091 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.6 | 177.9 | 173.3 | 0 | 0 | 0 | 0 | 108.3 | T64 A65 L67 Q128 L135 | T64-V133 CarbonylContact C-O 3.58Å; T64-V133 WeakPolarHBondContact CA-O 3.39Å; A65-V133 HydrophobicContact CB-CB 4.37Å; A65-V133 PolarHBondContact N-O 2.99Å; A65-V133 PolarHBondContact O-N 3.13Å; L67-V133 HydrophobicContact CD1-CG2 4.19Å; Q128-V133 HydrophobicContact CB-CG2 4.14Å; Q128-V133 HydrophobicContact CG-CG1 4.49Å; Q128-V133 HydrophobicContact CG-CG2 4.11Å; Q128-V133 VanDerWaalsContact OE1-CG1 3.28Å; V133-L135 HydrophobicContact CG1-CD2 4.05Å; V133-L135 PolarHBondContact O-N 3.44Å |
| 134 | Q | 71.7 | Confident | 61.6 | Low | 148 Ų | 148 | 86.3 Ų | 86.3 | 69% | 0.692 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.1 | 167.5 | -166.6 | 164.1 | 35.5 | 0 | 0 | 109 | N62 | N62-Q134 PolarHBondContact OD1-NE2 2.89Å |
| 135 | L | 69.1 | Low | 61.1 | Low | 10 Ų | 10 | 87.3 Ų | 87.3 | 5% | 0.052 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 131 | 177.9 | -66.8 | 177.9 | 0 | 0 | 0 | 109.1 | Q63 A65 L76 V133 E139 T140 | Q63-L135 HydrophobicContact CB-CB 4.15Å; Q63-L135 PolarHBondContact O-N 3.32Å; A65-L135 HydrophobicContact CB-CD1 3.78Å; A65-L135 HydrophobicContact CB-CD2 4.32Å; A65-L135 HydrophobicContact CB-CG 3.98Å; L76-L135 HydrophobicContact CD2-CD1 3.83Å; V133-L135 HydrophobicContact CG1-CD2 4.05Å; V133-L135 PolarHBondContact O-N 3.44Å; L135-E139 HydrophobicContact CD2-CB 4.42Å; L135-E139 VanDerWaalsContact CD2-OE2 3.3Å; L135-E139 WeakPolarHBondContact CD2-OE2 3.48Å; L135-T140 HydrophobicContact CB-CG2 4.36Å; L135-T140 HydrophobicContact CD1-CG2 3.49Å; L135-T140 VanDerWaalsContact CD1-CG2 3.49Å |
| 136 | S | 60.8 | Low | 60.5 | Low | 66 Ų | 66 | 87.2 Ų | 87.2 | 46% | 0.462 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 142.8 | 168.6 | 170.9 | 0 | 0 | 0 | 0 | 108.8 | N138 E139 | S136-N138 WeakPolarHBondContact CB-OD1 3.46Å; S136-N138 PolarHBondContact O-N 2.88Å; S136-N138 PolarHBondContact O-OD1 2.84Å; S136-N138 PolarHBondContact OG-OD1 2.87Å; S136-E139 WeakPolarHBondContact O-CB 3.28Å; S136-E139 PolarHBondContact O-N 3.38Å |
| 137 | G | 57.3 | Low | 60.9 | Low | 37 Ų | 37 | 86.1 Ų | 86.1 | 38% | 0.381 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -8.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 138 | N | 54.8 | Low | 61.7 | Low | 116 Ų | 116 | 79.7 Ų | 79.7 | 62% | 0.62 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -28.7 | 170.2 | 62.2 | -13.4 | 0 | 0 | 0 | 113.7 | S136 T140 Q141 | S136-N138 WeakPolarHBondContact CB-OD1 3.46Å; S136-N138 PolarHBondContact O-N 2.88Å; S136-N138 PolarHBondContact O-OD1 2.84Å; S136-N138 PolarHBondContact OG-OD1 2.87Å; N138-T140 VanDerWaalsContact C-N 3.35Å; N138-Q141 PolarHBondContact O-N 3.44Å |
| 139 | E | 52.5 | Low | 62.7 | Low | 102 Ų | 102 | 76.9 Ų | 76.9 | 48% | 0.477 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -33.2 | -178.5 | -65.4 | -163.9 | 144.3 | 0 | 0 | 111.6 | L135 S136 Q141 | L135-E139 HydrophobicContact CD2-CB 4.42Å; L135-E139 VanDerWaalsContact CD2-OE2 3.3Å; L135-E139 WeakPolarHBondContact CD2-OE2 3.48Å; S136-E139 WeakPolarHBondContact O-CB 3.28Å; S136-E139 PolarHBondContact O-N 3.38Å; E139-Q141 PolarHBondContact O-N 3.38Å |
| 140 | T | 58.3 | Low | 63.9 | Low | 23 Ų | 23 | 74 Ų | 74 | 14% | 0.141 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -92.9 | 73.2 | 161.4 | 76.7 | 0 | 0 | 0 | 0 | 109.3 | Q63 L135 N138 R142 | Q63-T140 PolarHBondContact NE2-OG1 2.76Å; Q63-T140 PolarHBondContact OE1-OG1 3.09Å; L135-T140 HydrophobicContact CB-CG2 4.36Å; L135-T140 HydrophobicContact CD1-CG2 3.49Å; L135-T140 VanDerWaalsContact CD1-CG2 3.49Å; N138-T140 VanDerWaalsContact C-N 3.35Å; T140-R142 PolarHBondContact O-N 2.96Å |
| 141 | Q | 50.5 | Low | 64.6 | Low | 131 Ų | 131 | 71.4 Ų | 71.4 | 61% | 0.612 | 38% | 0.375 | S | S | * | . | trans | -48 | 113 | 176 | -170.8 | -174.2 | 19.2 | 0 | 0 | 109.1 | N138 E139 R143 | N138-Q141 PolarHBondContact O-N 3.44Å; E139-Q141 PolarHBondContact O-N 3.38Å; Q141-R143 PolarHBondContact O-N 3.37Å; Q141-R143 VanDerWaalsContact OE1-NH2 3.12Å | ||
| 142 | R | 55.3 | Low | 65 | Low | 112 Ų | 112 | 74 Ų | 74 | 42% | 0.423 | 40% | 0.402 | S | S | . | . | trans | -56.8 | 91 | -171.9 | -68.9 | 180 | -180 | 177.9 | -5.3 | 110.8 | V59 T140 | V59-R142 PolarHBondContact O-NH2 3.44Å; V59-R142 VanDerWaalsContact O-NH2 3.16Å; T140-R142 PolarHBondContact O-N 2.96Å | ||
| 143 | R | 54.5 | Low | 65.4 | Low | 152 Ų | 152 | 68.5 Ų | 68.5 | 57% | 0.574 | 38% | 0.376 | S | S | * | . | trans | -101.2 | 103.6 | 173.4 | -71 | -174.5 | -170.4 | -176 | 8.4 | 108.1 | Q141 R145 | Q141-R143 PolarHBondContact O-N 3.37Å; Q141-R143 VanDerWaalsContact OE1-NH2 3.12Å; R143-R145 HydrophobicContact CB-CG 4.32Å; R143-R145 PolarHBondContact O-N 2.84Å | ||
| 144 | T | 55.2 | Low | 66.1 | Low | 64 Ų | 64 | 73.7 Ų | 73.7 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | trans | -62.2 | 119.2 | 160.1 | -61 | 0 | 0 | 0 | 0 | 106.3 | R50 F146 | R50-T144 HydrophobicContact CG-CG2 3.99Å; T144-F146 HydrophobicContact CG2-CZ 4.43Å | ||
| 145 | R | 65.6 | Low | 66.9 | Low | 69 Ų | 69 | 68 Ų | 68 | 26% | 0.26 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.5 | 177.1 | -75.9 | -179 | -178.2 | 161 | -3.2 | 108.9 | L51 D116 R143 | L51-R145 WeakPolarHBondContact CB-O 3.5Å; L51-R145 HydrophobicContact CD1-CB 4.04Å; L51-R145 PolarHBondContact N-O 3.2Å; L51-R145 VanDerWaalsContact N-O 3.16Å; D116-R145 IonicContact OD1-CZ 4Å; D116-R145 IonicContact OD1-NH1 3.52Å; D116-R145 IonicContact OD1-NH2 3.8Å; R143-R145 HydrophobicContact CB-CG 4.32Å; R143-R145 PolarHBondContact O-N 2.84Å |
| 146 | F | 61.6 | Low | 67.9 | Low | 102 Ų | 102 | 69.6 Ų | 69.6 | 45% | 0.447 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124.1 | 171.8 | -66 | -74.4 | 0 | 0 | 0 | 108.3 | T48 R50 T144 T179 | T48-F146 HydrophobicContact CG2-CB 3.65Å; T48-F146 HydrophobicContact CG2-CD1 3.63Å; T48-F146 HydrophobicContact CG2-CG 4.02Å; R50-F146 HydrophobicContact CB-CE1 4.42Å; R50-F146 HydrophobicContact CG-CE1 4.23Å; T144-F146 HydrophobicContact CG2-CZ 4.43Å; F146-T179 WeakPolarHBondContact CB-OG1 3.49Å; F146-T179 PolarHBondContact O-N 2.95Å; F146-T179 PolarHBondContact O-OG1 3.26Å; F146-T179 VanDerWaalsContact O-OG1 3.13Å |
| 147 | L | 74.3 | Confident | 69.3 | Low | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123 | 175 | -68 | -172.6 | 0 | 0 | 0 | 108.7 | V49 L51 F108 T176 | V49-L147 PolarHBondContact N-O 2.92Å; V49-L147 PolarHBondContact O-N 3.47Å; L51-L147 HydrophobicContact CD1-CD1 3.51Å; L51-L147 HydrophobicContact CD1-CD2 4.37Å; L51-L147 HydrophobicContact CD1-CG 3.69Å; L51-L147 HydrophobicContact CD2-CD1 3.86Å; L51-L147 HydrophobicContact CD2-CG 4.5Å; L51-L147 HydrophobicContact CG-CD1 3.78Å; L51-L147 HydrophobicContact CG-CG 3.92Å; F108-L147 HydrophobicContact CB-CD1 4.37Å; L147-T176 HydrophobicContact CB-CG2 4.15Å; L147-T176 HydrophobicContact CD1-CG2 4.27Å |
| 148 | G | 75.6 | Confident | 70.9 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T176 R177 | G148-T176 CarbonylContact O-C 3.59Å; G148-T176 VanDerWaalsContact O-CA 3.24Å; G148-T176 WeakPolarHBondContact O-CA 3.4Å; G148-R177 PolarHBondContact N-O 3.42Å; G148-R177 PolarHBondContact O-N 2.98Å |
| 149 | V | 79.8 | Confident | 72.6 | Confident | 20 Ų | 20 | 69 Ų | 69 | 12% | 0.121 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 126.1 | 170 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | Q47 V49 F108 H174 T176 | Q47-V149 PolarHBondContact O-N 2.8Å; V49-V149 HydrophobicContact CB-CG2 4.3Å; V49-V149 HydrophobicContact CG2-CG2 3.44Å; V49-V149 VanDerWaalsContact CG2-CG2 3.44Å; F108-V149 HydrophobicContact CD1-CG2 4.24Å; F108-V149 HydrophobicContact CE1-CG2 3.89Å; V149-H174 HydrophobicContact CG1-CB 4.06Å; V149-T176 HydrophobicContact CG2-CG2 4.09Å |
| 150 | M | 79.7 | Confident | 74.5 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 42% | 0.424 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.2 | -179.3 | -62.2 | -176 | 70.2 | 0 | 0 | 110.5 | G152 G153 R175 | M150-G152 PolarHBondContact O-N 2.88Å; M150-G153 PolarHBondContact O-N 2.86Å; M150-R175 PolarHBondContact N-O 3.1Å; M150-R175 HydrophobicContact SD-CB 4.38Å; M150-R175 HydrophobicContact SD-CG 3.75Å |
| 151 | A | 74.4 | Confident | 76.2 | Confident | 82 Ų | 82 | 68 Ų | 68 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 129.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | T44 G153 | T44-A151 HydrophobicContact CG2-CB 4.28Å; A151-G153 PolarHBondContact O-N 3.17Å |
| 152 | G | 72.6 | Confident | 78.3 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 88% | 0.876 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 68.3 | 7.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | M150 Q154 | M150-G152 PolarHBondContact O-N 2.88Å; G152-Q154 PolarHBondContact O-N 3.39Å; G152-Q154 VanDerWaalsContact O-N 3.13Å |
| 153 | G | 77.6 | Confident | 80.1 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 16% | 0.155 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 23.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | M150 A151 V155 R175 | M150-G153 PolarHBondContact O-N 2.86Å; A151-G153 PolarHBondContact O-N 3.17Å; G153-V155 PolarHBondContact O-N 3.2Å; G153-R175 VanDerWaalsContact O-CB 3.31Å; G153-R175 WeakPolarHBondContact O-CB 3.46Å; G153-R175 PolarHBondContact O-N 2.84Å |
| 154 | Q | 86.3 | Confident | 82.1 | Confident | 125 Ų | 125 | 55.5 Ų | 55.5 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 130.7 | 177 | -166 | 172.4 | 47.7 | 0 | 0 | 109.5 | G152 V173 | G152-Q154 PolarHBondContact O-N 3.39Å; G152-Q154 VanDerWaalsContact O-N 3.13Å; Q154-V173 WeakPolarHBondContact CA-O 3.26Å |
| 155 | V | 89.7 | Confident | 84 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 16% | 0.164 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.8 | 179.1 | -176.5 | 0 | 0 | 0 | 0 | 108 | L109 G153 V157 L160 V173 R175 | L109-V155 HydrophobicContact CD2-CG2 4.46Å; G153-V155 PolarHBondContact O-N 3.2Å; V155-V157 PolarHBondContact O-N 3.44Å; V155-L160 HydrophobicContact CG1-CD2 3.94Å; V155-V173 HydrophobicContact CB-CB 4.33Å; V155-V173 HydrophobicContact CB-CG1 4.11Å; V155-V173 PolarHBondContact N-O 2.91Å; V155-R175 HydrophobicContact CG2-CB 4.37Å |
| 156 | G | 90.2 | Very high | 85.4 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 46% | 0.464 | 35% | 0.354 | S | S | . | . | trans | -67.5 | 130.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | A158 S159 | G156-A158 PolarHBondContact O-N 3.39Å; G156-S159 PolarHBondContact O-N 2.96Å; G156-S159 PolarHBondContact O-OG 2.72Å | ||
| 157 | V | 90.2 | Very high | 87 | Confident | 35 Ų | 35 | 53.3 Ų | 53.3 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -57.6 | -38.7 | 177.4 | 179.8 | 0 | 0 | 0 | 0 | 111 | V155 S159 L160 R165 R171 V173 | V155-V157 PolarHBondContact O-N 3.44Å; V157-S159 PolarHBondContact O-N 3.48Å; V157-L160 WeakPolarHBondContact O-CB 3.49Å; V157-L160 PolarHBondContact O-N 3.06Å; V157-R165 HydrophobicContact CG1-CG 4.11Å; V157-R171 WeakPolarHBondContact CG2-O 3.4Å; V157-V173 HydrophobicContact CG2-CG2 3.74Å |
| 158 | A | 90.3 | Very high | 88 | Confident | 87 Ų | 87 | 53.2 Ų | 53.2 | 72% | 0.719 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -63.5 | -21.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G156 | G156-A158 PolarHBondContact O-N 3.39Š|
| 159 | S | 90.6 | Very high | 88.9 | Confident | 85 Ų | 85 | 60 Ų | 60 | 59% | 0.594 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -86.8 | -5.2 | 175.8 | 66 | 0 | 0 | 0 | 0 | 113.5 | G156 V157 | G156-S159 PolarHBondContact O-N 2.96Å; G156-S159 PolarHBondContact O-OG 2.72Å; V157-S159 PolarHBondContact O-N 3.48Å |
| 160 | L | 92.9 | Very high | 89.4 | Confident | 9 Ų | 9 | 66.2 Ų | 66.2 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -79.3 | 142.8 | 174.3 | -60.2 | 179.8 | 0 | 0 | 0 | 109.9 | L109 V155 V157 L164 R165 V173 | L109-L160 HydrophobicContact CD2-CD2 3.85Å; V155-L160 HydrophobicContact CG1-CD2 3.94Å; V157-L160 WeakPolarHBondContact O-CB 3.49Å; V157-L160 PolarHBondContact O-N 3.06Å; L160-L164 HydrophobicContact CB-CB 4.24Å; L160-L164 HydrophobicContact CD1-CB 4.29Å; L160-R165 HydrophobicContact CB-CB 4.13Å; L160-R165 PolarHBondContact O-NE 3.48Å; L160-R165 PolarHBondContact O-NH2 3.44Å; L160-V173 HydrophobicContact CD1-CG1 4.34Å; L160-V173 HydrophobicContact CD1-CG2 3.91Å |
| 161 | D | 93.5 | Very high | 90 | Very high | 93 Ų | 93 | 64.5 Ų | 64.5 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -76 | 162.1 | 168.6 | -66.4 | -48.1 | 0 | 0 | 0 | 111.2 | L164 R165 | D161-L164 WeakPolarHBondContact O-CB 3.4Å; D161-L164 PolarHBondContact O-N 3.33Å; D161-R165 PolarHBondContact O-N 2.95Å |
| 162 | E | 94.4 | Very high | 90.9 | Very high | 93 Ų | 93 | 63.2 Ų | 63.2 | 44% | 0.435 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 142.3 | 168.6 | -68.1 | -60.6 | 162.4 | 0 | 0 | 109.7 | T166 | E162-T166 VanDerWaalsContact CD-OG1 3.24Å; E162-T166 PolarHBondContact OE1-OG1 2.99Å; E162-T166 VanDerWaalsContact OE1-OG1 3.09Å; E162-T166 WeakPolarHBondContact OE2-CB 3.41Å; E162-T166 PolarHBondContact OE2-N 3.44Å; E162-T166 PolarHBondContact OE2-OG1 3.47Å |
| 163 | P | 94.3 | Very high | 91.9 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 25% | 0.253 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -91.5 | -2 | 8.1 | 8.2 | 9.2 | 0 | 0 | 0 | 114.9 | L73 L89 R165 T166 L167 | L73-P163 HydrophobicContact CD1-CG 3.39Å; L73-P163 HydrophobicContact CD2-CG 4.05Å; L73-P163 HydrophobicContact CG-CG 4.34Å; L89-P163 HydrophobicContact CD1-CG 4.44Å; L89-P163 HydrophobicContact CD2-CB 3.83Å; L89-P163 HydrophobicContact CD2-CG 3.79Å; P163-R165 VanDerWaalsContact C-N 3.27Å; P163-R165 PolarHBondContact O-N 2.94Å; P163-T166 PolarHBondContact O-N 3.32Å; P163-L167 PolarHBondContact O-N 3.09Å |
| 164 | L | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -36.1 | -173.3 | -60.8 | 163.7 | 0 | 0 | 0 | 111.8 | L89 D91 L96 C98 L109 L160 D161 L167 C168 | L89-L164 HydrophobicContact CB-CD2 4.45Å; L89-L164 HydrophobicContact CD2-CD2 3.65Å; L89-L164 HydrophobicContact CD2-CG 4.15Å; L89-L164 HydrophobicContact CG-CD2 4.07Å; D91-L164 HydrophobicContact CB-CD1 4.33Å; L96-L164 HydrophobicContact CB-CD1 4.12Å; L96-L164 HydrophobicContact CD1-CD1 3.79Å; C98-L164 HydrophobicContact CB-CD2 3.3Å; L109-L164 HydrophobicContact CD1-CD1 4.49Å; L160-L164 HydrophobicContact CB-CB 4.24Å; L160-L164 HydrophobicContact CD1-CB 4.29Å; D161-L164 WeakPolarHBondContact O-CB 3.4Å; D161-L164 PolarHBondContact O-N 3.33Å; L164-L167 PolarHBondContact O-N 2.92Å; L164-C168 PolarHBondContact O-N 2.92Å; L164-C168 VanDerWaalsContact O-N 3.17Å |
| 165 | R | 95.5 | Very high | 93 | Very high | 94 Ų | 94 | 59.7 Ų | 59.7 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 174.7 | -173.6 | -172.8 | -48.1 | 172.2 | 11.1 | 112.3 | V157 L160 D161 P163 C168 R169 | V157-R165 HydrophobicContact CG1-CG 4.11Å; L160-R165 HydrophobicContact CB-CB 4.13Å; L160-R165 PolarHBondContact O-NE 3.48Å; L160-R165 PolarHBondContact O-NH2 3.44Å; D161-R165 PolarHBondContact O-N 2.95Å; P163-R165 VanDerWaalsContact C-N 3.27Å; P163-R165 PolarHBondContact O-N 2.94Å; R165-C168 PolarHBondContact O-N 3.42Å; R165-R169 PolarHBondContact O-N 3Å; R165-R169 VanDerWaalsContact O-N 3.15Å |
| 166 | T | 95.8 | Very high | 93 | Very high | 64 Ų | 64 | 58.7 Ų | 58.7 | 39% | 0.393 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 179.3 | -71 | 0 | 0 | 0 | 0 | 111.8 | E162 P163 C168 R169 | E162-T166 VanDerWaalsContact CD-OG1 3.24Å; E162-T166 PolarHBondContact OE1-OG1 2.99Å; E162-T166 VanDerWaalsContact OE1-OG1 3.09Å; E162-T166 WeakPolarHBondContact OE2-CB 3.41Å; E162-T166 PolarHBondContact OE2-N 3.44Å; E162-T166 PolarHBondContact OE2-OG1 3.47Å; P163-T166 PolarHBondContact O-N 3.32Å; T166-C168 VanDerWaalsContact C-N 3.27Å; T166-C168 PolarHBondContact O-N 3.07Å; T166-R169 WeakPolarHBondContact O-CB 3.29Å; T166-R169 PolarHBondContact O-N 3.38Å; T166-R169 PolarHBondContact OG1-NH2 3.36Å; T166-R169 VanDerWaalsContact OG1-NH2 3.12Å |
| 167 | L | 94.9 | Very high | 92.8 | Very high | 32 Ų | 32 | 65.3 Ų | 65.3 | 17% | 0.168 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.6 | -41.7 | 176.6 | -174.3 | 68.8 | 0 | 0 | 0 | 112 | T87 L89 C98 Q100 P163 L164 | T87-L167 HydrophobicContact CG2-CD1 3.65Å; L89-L167 HydrophobicContact CB-CD2 3.65Å; L89-L167 HydrophobicContact CD2-CD2 4.2Å; C98-L167 HydrophobicContact CB-CD2 4.06Å; Q100-L167 HydrophobicContact CB-CD1 4.33Å; Q100-L167 HydrophobicContact CB-CG 4.19Å; Q100-L167 PolarHBondContact OE1-O 3.44Å; P163-L167 PolarHBondContact O-N 3.09Å; L164-L167 PolarHBondContact O-N 2.92Å |
| 168 | C | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 21.1 | -175 | -65.5 | 0 | 0 | 0 | 0 | 114.5 | C98 C107 L164 R165 T166 D170 R171 V173 | C98-C168 PolarHBondContact SG-SG 2.97Å; C107-C168 HydrophobicContact CB-CB 3.77Å; C107-C168 WeakPolarHBondContact CB-SG 3.42Å; C107-C168 WeakPolarHBondContact SG-CA 3.39Å; C107-C168 WeakPolarHBondContact SG-CB 3.18Å; C107-C168 CovalentContact SG-SG 2.03Å; C107-C168 PolarHBondContact SG-SG 3.39Å; L164-C168 PolarHBondContact O-N 2.92Å; L164-C168 VanDerWaalsContact O-N 3.17Å; R165-C168 PolarHBondContact O-N 3.42Å; T166-C168 VanDerWaalsContact C-N 3.27Å; T166-C168 PolarHBondContact O-N 3.07Å; C168-D170 PolarHBondContact O-N 3.11Å; C168-R171 PolarHBondContact O-N 3.3Å; C168-R171 VanDerWaalsContact O-N 3.12Å; C168-V173 HydrophobicContact CB-CG2 3.74Å |
| 169 | R | 94.3 | Very high | 91.3 | Very high | 143 Ų | 143 | 63.3 Ų | 63.3 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 135 | 176.9 | -165.3 | 178.3 | -63 | 171.7 | 2.4 | 110 | R165 T166 R171 | R165-R169 PolarHBondContact O-N 3Å; R165-R169 VanDerWaalsContact O-N 3.15Å; T166-R169 WeakPolarHBondContact O-CB 3.29Å; T166-R169 PolarHBondContact O-N 3.38Å; T166-R169 PolarHBondContact OG1-NH2 3.36Å; T166-R169 VanDerWaalsContact OG1-NH2 3.12Å; R169-R171 PolarHBondContact O-N 2.9Å; R169-R171 VanDerWaalsContact O-N 3.12Å |
| 170 | D | 91.3 | Very high | 89.8 | Confident | 151 Ų | 151 | 70 Ų | 70 | 81% | 0.807 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 11.1 | 179.7 | -47.4 | -44.3 | 0 | 0 | 0 | 115.9 | C168 | C168-D170 PolarHBondContact O-N 3.11Š|
| 171 | R | 92.3 | Very high | 89.6 | Confident | 49 Ų | 49 | 73.1 Ų | 73.1 | 19% | 0.185 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -113.7 | 154.3 | 178.6 | -62.8 | 179.4 | -176.5 | -131.3 | 1 | 111.4 | P101 Q104 V157 C168 R169 | P101-R171 PolarHBondContact O-NH1 3.44Å; Q104-R171 PolarHBondContact O-NH1 2.94Å; V157-R171 WeakPolarHBondContact CG2-O 3.4Å; C168-R171 PolarHBondContact O-N 3.3Å; C168-R171 VanDerWaalsContact O-N 3.12Å; R169-R171 PolarHBondContact O-N 2.9Å; R169-R171 VanDerWaalsContact O-N 3.12Å |
| 172 | T | 93.1 | Very high | 89.4 | Confident | 56 Ų | 56 | 72 Ų | 72 | 34% | 0.344 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 135 | 170.3 | 65.8 | 0 | 0 | 0 | 0 | 110.3 | Q105 R106 C107 H174 | Q105-T172 PolarHBondContact O-N 3.04Å; R106-T172 CarbonylContact C-O 3.49Å; R106-T172 VanDerWaalsContact CA-O 3.25Å; R106-T172 WeakPolarHBondContact CA-O 3.38Å; R106-T172 WeakPolarHBondContact CG-OG1 3.39Å; C107-T172 PolarHBondContact N-O 3.44Å; T172-H174 PolarHBondContact OG1-NE2 2.86Å |
| 173 | V | 94.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.1 | 179.4 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | C107 L109 Q154 V155 V157 L160 C168 | C107-V173 HydrophobicContact CB-CG2 3.99Å; C107-V173 WeakPolarHBondContact O-CA 3.41Å; L109-V173 HydrophobicContact CB-CG1 3.79Å; Q154-V173 WeakPolarHBondContact CA-O 3.26Å; V155-V173 HydrophobicContact CB-CB 4.33Å; V155-V173 HydrophobicContact CB-CG1 4.11Å; V155-V173 PolarHBondContact N-O 2.91Å; V157-V173 HydrophobicContact CG2-CG2 3.74Å; L160-V173 HydrophobicContact CD1-CG1 4.34Å; L160-V173 HydrophobicContact CD1-CG2 3.91Å; C168-V173 HydrophobicContact CB-CG2 3.74Å |
| 174 | H | 93 | Very high | 88.9 | Confident | 35 Ų | 35 | 72.7 Ų | 72.7 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.3 | 178.7 | -67.5 | -85.6 | 0 | 0 | 0 | 110.3 | C107 F108 L109 V149 T172 | C107-H174 PolarHBondContact O-N 3.24Å; F108-H174 WeakPolarHBondContact CA-O 3.35Å; F108-H174 HydrophobicContact CD1-CB 4.16Å; F108-H174 HydrophobicContact CE1-CB 4.38Å; L109-H174 PolarHBondContact N-O 3.41Å; V149-H174 HydrophobicContact CG1-CB 4.06Å; T172-H174 PolarHBondContact OG1-NE2 2.86Å |
| 175 | R | 92.3 | Very high | 88.5 | Confident | 115 Ų | 115 | 77.2 Ų | 77.2 | 43% | 0.434 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 132.9 | 170.2 | -170.2 | 172.3 | -77.5 | -155.1 | -4.7 | 109.3 | L109 M150 G153 V155 | L109-R175 CarbonylContact O-C 3.59Å; L109-R175 WeakPolarHBondContact O-CA 3.23Å; M150-R175 PolarHBondContact N-O 3.1Å; M150-R175 HydrophobicContact SD-CB 4.38Å; M150-R175 HydrophobicContact SD-CG 3.75Å; G153-R175 VanDerWaalsContact O-CB 3.31Å; G153-R175 WeakPolarHBondContact O-CB 3.46Å; G153-R175 PolarHBondContact O-N 2.84Å; V155-R175 HydrophobicContact CG2-CB 4.37Å |
| 176 | T | 90.1 | Very high | 88 | Confident | 5 Ų | 5 | 76.1 Ų | 76.1 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 157.8 | -178.9 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | F108 L109 L147 G148 V149 | F108-T176 HydrophobicContact CB-CG2 3.87Å; F108-T176 HydrophobicContact CD1-CG2 3.55Å; F108-T176 HydrophobicContact CG-CG2 4.12Å; L109-T176 PolarHBondContact O-N 3.49Å; L109-T176 PolarHBondContact O-OG1 3.42Å; L109-T176 VanDerWaalsContact O-OG1 3.07Å; L147-T176 HydrophobicContact CB-CG2 4.15Å; L147-T176 HydrophobicContact CD1-CG2 4.27Å; G148-T176 CarbonylContact O-C 3.59Å; G148-T176 VanDerWaalsContact O-CA 3.24Å; G148-T176 WeakPolarHBondContact O-CA 3.4Å; V149-T176 HydrophobicContact CG2-CG2 4.09Å |
| 177 | R | 85.3 | Confident | 87.5 | Confident | 184 Ų | 184 | 76.9 Ų | 76.9 | 69% | 0.694 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 146.4 | 170.9 | -171.4 | -177.4 | 176.3 | 179.4 | -0.2 | 108.9 | G148 T179 | G148-R177 PolarHBondContact N-O 3.42Å; G148-R177 PolarHBondContact O-N 2.98Å; R177-T179 PolarHBondContact O-N 3.28Å |
| 178 | R | 78.8 | Confident | 86.9 | Confident | 42 Ų | 42 | 80.4 Ų | 80.4 | 16% | 0.158 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 130.8 | 169.2 | -168.8 | 171.9 | -79.1 | 168.3 | -2 | 109.4 | E113 S115 D116 | E113-R178 WeakPolarHBondContact OE1-CB 3.5Å; E113-R178 IonicContact OE2-CZ 3.75Å; E113-R178 IonicContact OE2-NE 3.74Å; E113-R178 IonicContact OE2-NH1 3.59Å; E113-R178 PolarHBondContact OE2-NH1 3.48Å; S115-R178 PolarHBondContact OG-NH1 3.04Å; D116-R178 IonicContact OD1-CZ 2.72Å; D116-R178 IonicContact OD1-NH2 2.86Å; D116-R178 PolarHBondContact OD1-NH2 3.2Å; D116-R178 IonicContact OD2-NH2 2.7Å; D116-R178 PolarHBondContact OD2-NH2 3.31Å |
| 179 | T | 72.1 | Confident | 86.3 | Confident | 39 Ų | 39 | 87.1 Ų | 87.1 | 24% | 0.239 | 40% | 0.4 | C | S | . | . | trans | -108.9 | 133.2 | 170.1 | 52.8 | 0 | 0 | 0 | 0 | 108 | F146 R177 | F146-T179 WeakPolarHBondContact CB-OG1 3.49Å; F146-T179 PolarHBondContact O-N 2.95Å; F146-T179 PolarHBondContact O-OG1 3.26Å; F146-T179 VanDerWaalsContact O-OG1 3.13Å; R177-T179 PolarHBondContact O-N 3.28Å | ||
| 180 | N | 58.2 | Low | 85.5 | Confident | 225 Ų | 225 | 82 Ų | 82 | 100% | 1.203 | 39% | 0.388 | S | S | * | . | trans | -78.7 | 0 | 176.8 | -66.8 | -15.7 | 0 | 0 | 0 | 111.3 |
Retrieved 180 of 180 residues in 294.5 ms
(Link to these results)