| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 52 | Low | 53.4 | Low | 226 Ų | 226 | 149.5 Ų | 149.5 | 100% | 1.113 | 84% | 0.841 | S | S | * | * | 0 | 153.9 | 0 | -70 | 60.8 | 165 | 0 | 0 | 108.1 | |||||
| 2 | C | 62.8 | Low | 52.6 | Low | 122 Ų | 122 | 145.5 Ų | 145.5 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | 46.3 | 96.1 | 165.1 | -54 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 3 | H | 51.8 | Low | 52.2 | Low | 199 Ų | 199 | 147.3 Ų | 147.3 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | cis | 51.5 | 115.6 | 46.4 | -80.8 | -103.5 | 0 | 0 | 0 | 114.3 | ||||
| 4 | G | 65.2 | Low | 51.9 | Low | 84 Ų | 84 | 150.7 Ų | 150.7 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | trans | -174.4 | 61.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 5 | R | 52.3 | Low | 51.5 | Low | 253 Ų | 253 | 147.9 Ų | 147.9 | 96% | 0.955 | 82% | 0.818 | S | S | * | * | trans | -103.8 | 123.9 | 174.7 | -110.9 | -174.4 | 173.8 | 141.6 | -2.6 | 109.7 | ||||
| 6 | I | 65 | Low | 51.1 | Low | 171 Ų | 171 | 147.3 Ų | 147.3 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -138 | 133.2 | 159.5 | -57.3 | -178.3 | 0 | 0 | 0 | 108.2 | ||||
| 7 | A | 54.9 | Low | 50.9 | Low | 87 Ų | 87 | 144.8 Ų | 144.8 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | trans | -125.9 | 154.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 8 | P | 52.6 | Low | 51 | Low | 118 Ų | 118 | 142.8 Ų | 142.8 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | -129 | 145.3 | 97.6 | 9.4 | 12.2 | 0 | 0 | 0 | 111.2 | |||||
| 9 | K | 40.4 | Very low | 51.1 | Low | 179 Ų | 179 | 140.7 Ų | 140.7 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | 59.1 | 86.1 | 63.3 | -165.7 | -178.9 | -179.7 | 179.7 | 0 | 113.2 | |||||
| 10 | S | 48 | Very low | 51.3 | Low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -118.5 | 95.3 | 149.8 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | S12 | S10-S12 PolarHBondContact O-N 2.78Š| ||
| 11 | S | 42.1 | Very low | 51.6 | Low | 85 Ų | 85 | 136.6 Ų | 136.6 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | trans | -90.7 | 84.7 | 172.2 | 50.9 | 0 | 0 | 0 | 0 | 108.6 | E13 | S11-E13 PolarHBondContact O-N 3.3Š| ||
| 12 | S | 43.8 | Very low | 52.4 | Low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -86.2 | 90.6 | 166 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | S10 F14 | S10-S12 PolarHBondContact O-N 2.78Å; S12-F14 PolarHBondContact O-N 3.35Å | ||
| 13 | E | 47.7 | Very low | 52.9 | Low | 169 Ų | 169 | 127.1 Ų | 127.1 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -59 | 124.3 | 169.4 | -63.5 | -173.7 | 125.7 | 0 | 0 | 108.5 | S11 V15 | S11-E13 PolarHBondContact O-N 3.3Å; E13-V15 VanDerWaalsContact C-N 3.26Å; E13-V15 PolarHBondContact O-N 3.43Å | ||
| 14 | F | 47.3 | Very low | 53.9 | Low | 195 Ų | 195 | 124.1 Ų | 124.1 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | -74.4 | 87.2 | 175.8 | -129.4 | -89.4 | 0 | 0 | 0 | 107.6 | S12 V16 | S12-F14 PolarHBondContact O-N 3.35Å; F14-V16 WeakPolarHBondContact O-CG2 3.36Å; F14-V16 PolarHBondContact O-N 2.82Å | ||
| 15 | V | 46.7 | Very low | 54.6 | Low | 108 Ų | 108 | 125.1 Ų | 125.1 | 66% | 0.655 | 71% | 0.705 | S | S | * | * | trans | -60.7 | 111.9 | 177.9 | -174.1 | 0 | 0 | 0 | 0 | 107.7 | E13 T17 | E13-V15 VanDerWaalsContact C-N 3.26Å; E13-V15 PolarHBondContact O-N 3.43Å; V15-T17 HydrophobicContact CG1-CG2 3.85Å; V15-T17 PolarHBondContact O-N 2.97Å | ||
| 16 | V | 45.7 | Very low | 55.9 | Low | 139 Ų | 139 | 119.3 Ų | 119.3 | 84% | 0.842 | 69% | 0.689 | S | S | * | * | trans | -76.4 | 63.9 | 178.4 | -171 | 0 | 0 | 0 | 0 | 109.1 | F14 S18 | F14-V16 WeakPolarHBondContact O-CG2 3.36Å; F14-V16 PolarHBondContact O-N 2.82Å; V16-S18 PolarHBondContact O-N 2.96Å | ||
| 17 | T | 46.6 | Very low | 56.7 | Low | 104 Ų | 104 | 115.8 Ų | 115.8 | 64% | 0.638 | 67% | 0.671 | S | S | * | * | trans | -66.1 | 123.4 | 171.9 | 40.2 | 0 | 0 | 0 | 0 | 109.4 | V15 V19 | V15-T17 HydrophobicContact CG1-CG2 3.85Å; V15-T17 PolarHBondContact O-N 2.97Å; T17-V19 VanDerWaalsContact C-N 3.34Å; T17-V19 PolarHBondContact O-N 3.13Å | ||
| 18 | S | 53.2 | Low | 57.9 | Low | 109 Ų | 109 | 114.6 Ų | 114.6 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -70 | 82.8 | -174.2 | -168 | 0 | 0 | 0 | 0 | 113.3 | V16 G20 | V16-S18 PolarHBondContact O-N 2.96Å; S18-G20 VanDerWaalsContact C-N 3.28Å |
| 19 | V | 52.5 | Low | 59.3 | Low | 104 Ų | 104 | 112.5 Ų | 112.5 | 63% | 0.63 | 64% | 0.636 | S | S | * | * | trans | -104.6 | 32.3 | 153.9 | -163.2 | 0 | 0 | 0 | 0 | 108.2 | T17 H21 V23 | T17-V19 VanDerWaalsContact C-N 3.34Å; T17-V19 PolarHBondContact O-N 3.13Å; V19-H21 PolarHBondContact O-N 3Å; V19-V23 HydrophobicContact CG1-CG2 4.26Å | ||
| 20 | G | 55.4 | Low | 61.2 | Low | 40 Ų | 40 | 108.2 Ų | 108.2 | 41% | 0.412 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.7 | 1.1 | -145.4 | 0 | 0 | 0 | 0 | 0 | 118 | S18 | S18-G20 VanDerWaalsContact C-N 3.28Š|
| 21 | H | 58.6 | Low | 62.8 | Low | 154 Ų | 154 | 106.2 Ų | 106.2 | 71% | 0.713 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | -47 | -177.8 | -62.7 | 117.4 | 0 | 0 | 0 | 113.4 | V19 L25 | V19-H21 PolarHBondContact O-N 3Å; H21-L25 WeakPolarHBondContact O-CB 3.3Å; H21-L25 PolarHBondContact O-N 3.37Å |
| 22 | G | 67.2 | Low | 64.5 | Low | 50 Ų | 50 | 105.3 Ų | 105.3 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.9 | -53.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q26 | G22-Q26 VanDerWaalsContact O-CG 3.31Å; G22-Q26 WeakPolarHBondContact O-CG 3.09Å; G22-Q26 PolarHBondContact O-N 2.64Å |
| 23 | V | 73.8 | Confident | 65.9 | Low | 100 Ų | 100 | 106.1 Ų | 106.1 | 61% | 0.606 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.5 | -35.7 | -179.6 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | V19 Q26 L27 | V19-V23 HydrophobicContact CG1-CG2 4.26Å; V23-Q26 PolarHBondContact O-N 3.39Å; V23-L27 WeakPolarHBondContact O-CB 3.31Å; V23-L27 PolarHBondContact O-N 2.87Å |
| 24 | F | 73.4 | Confident | 66.8 | Low | 135 Ų | 135 | 103.5 Ų | 103.5 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.6 | -44.6 | 176 | -172.7 | -98.1 | 0 | 0 | 0 | 111.7 | L27 V28 | F24-L27 PolarHBondContact O-N 2.89Å; F24-V28 HydrophobicContact CD1-CG2 4.02Å; F24-V28 HydrophobicContact CE1-CG2 3.66Å; F24-V28 HydrophobicContact CZ-CG2 3.94Å; F24-V28 WeakPolarHBondContact O-CB 3.34Å; F24-V28 WeakPolarHBondContact O-CG2 3.29Å; F24-V28 PolarHBondContact O-N 3.22Å |
| 25 | L | 79.5 | Confident | 67.4 | Low | 106 Ų | 106 | 96.2 Ų | 96.2 | 56% | 0.555 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63 | -43.2 | 175.5 | -173.1 | 73.5 | 0 | 0 | 0 | 111.5 | H21 L27 V28 I29 | H21-L25 WeakPolarHBondContact O-CB 3.3Å; H21-L25 PolarHBondContact O-N 3.37Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.29Å; L25-V28 PolarHBondContact O-N 3.3Å; L25-I29 HydrophobicContact CD1-CD1 4.5Å; L25-I29 HydrophobicContact CD2-CD1 4.37Å; L25-I29 HydrophobicContact CG-CD1 3.9Å; L25-I29 HydrophobicContact CG-CG1 4.49Å; L25-I29 WeakPolarHBondContact O-CB 3.49Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.41Å; L25-I29 PolarHBondContact O-N 3.42Å |
| 26 | Q | 80.1 | Confident | 68 | Low | 130 Ų | 130 | 96.9 Ų | 96.9 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.7 | -39.5 | 175.1 | -72.4 | -70.4 | -1.6 | 0 | 0 | 112.2 | G22 V23 L30 | G22-Q26 VanDerWaalsContact O-CG 3.31Å; G22-Q26 WeakPolarHBondContact O-CG 3.09Å; G22-Q26 PolarHBondContact O-N 2.64Å; V23-Q26 PolarHBondContact O-N 3.39Å; Q26-L30 VanDerWaalsContact O-CB 3.25Å; Q26-L30 WeakPolarHBondContact O-CB 3.11Å; Q26-L30 PolarHBondContact O-N 3.11Å |
| 27 | L | 81.7 | Confident | 68.5 | Low | 97 Ų | 97 | 92.8 Ų | 92.8 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.6 | -39.3 | 174.7 | -176.4 | 62.1 | 0 | 0 | 0 | 112 | V23 F24 L25 L30 C31 | V23-L27 WeakPolarHBondContact O-CB 3.31Å; V23-L27 PolarHBondContact O-N 2.87Å; F24-L27 PolarHBondContact O-N 2.89Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.29Å; L27-L30 PolarHBondContact O-N 2.99Å; L27-C31 WeakPolarHBondContact O-CB 3.47Å; L27-C31 PolarHBondContact O-N 3.31Å; L27-C31 PolarHBondContact O-SG 3.11Å |
| 28 | V | 80.6 | Confident | 69.1 | Low | 62 Ų | 62 | 94.6 Ų | 94.6 | 38% | 0.376 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.2 | -46 | 175 | 168 | 0 | 0 | 0 | 0 | 111 | F24 L25 L30 C31 S32 | F24-V28 HydrophobicContact CD1-CG2 4.02Å; F24-V28 HydrophobicContact CE1-CG2 3.66Å; F24-V28 HydrophobicContact CZ-CG2 3.94Å; F24-V28 WeakPolarHBondContact O-CB 3.34Å; F24-V28 WeakPolarHBondContact O-CG2 3.29Å; F24-V28 PolarHBondContact O-N 3.22Å; L25-V28 PolarHBondContact O-N 3.3Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 2.9Å; V28-C31 PolarHBondContact O-N 3.05Å; V28-S32 PolarHBondContact O-N 3.12Å; V28-S32 PolarHBondContact O-OG 2.82Å |
| 29 | I | 81.4 | Confident | 69.6 | Low | 74 Ų | 74 | 91.8 Ų | 91.8 | 38% | 0.379 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 174.6 | -70.6 | 166.1 | 0 | 0 | 0 | 110.3 | L25 S32 L33 | L25-I29 HydrophobicContact CD1-CD1 4.5Å; L25-I29 HydrophobicContact CD2-CD1 4.37Å; L25-I29 HydrophobicContact CG-CD1 3.9Å; L25-I29 HydrophobicContact CG-CG1 4.49Å; L25-I29 WeakPolarHBondContact O-CB 3.49Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.41Å; L25-I29 PolarHBondContact O-N 3.42Å; I29-S32 PolarHBondContact O-N 2.79Å; I29-L33 HydrophobicContact CG2-CD1 3.79Å; I29-L33 HydrophobicContact CG2-CG 4.41Å; I29-L33 WeakPolarHBondContact O-CB 3.31Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.39Å; I29-L33 PolarHBondContact O-N 2.89Å |
| 30 | L | 81 | Confident | 71 | Confident | 90 Ų | 90 | 89.7 Ų | 89.7 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 176.1 | -174 | 66.8 | 0 | 0 | 0 | 111.5 | Q26 L27 V28 L33 L34 | Q26-L30 VanDerWaalsContact O-CB 3.25Å; Q26-L30 WeakPolarHBondContact O-CB 3.11Å; Q26-L30 PolarHBondContact O-N 3.11Å; L27-L30 PolarHBondContact O-N 2.99Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 2.9Å; L30-L33 PolarHBondContact O-N 2.96Å; L30-L34 HydrophobicContact CD1-CD1 3.74Å; L30-L34 HydrophobicContact CG-CD1 4.18Å; L30-L34 WeakPolarHBondContact O-CB 3.29Å; L30-L34 WeakPolarHBondContact O-CD1 3.37Å; L30-L34 PolarHBondContact O-N 2.9Å |
| 31 | C | 80 | Confident | 72.6 | Confident | 78 Ų | 78 | 90.6 Ų | 90.6 | 53% | 0.527 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 176.9 | -74.5 | 0 | 0 | 0 | 0 | 113 | L27 V28 G35 | L27-C31 WeakPolarHBondContact O-CB 3.47Å; L27-C31 PolarHBondContact O-N 3.31Å; L27-C31 PolarHBondContact O-SG 3.11Å; V28-C31 PolarHBondContact O-N 3.05Å; C31-G35 PolarHBondContact O-N 3.29Å |
| 32 | S | 77.8 | Confident | 74.2 | Confident | 66 Ų | 66 | 83.6 Ų | 83.6 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -51.8 | 171.5 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | V28 I29 L34 G35 D36 | V28-S32 PolarHBondContact O-N 3.12Å; V28-S32 PolarHBondContact O-OG 2.82Å; I29-S32 PolarHBondContact O-N 2.79Å; S32-L34 VanDerWaalsContact C-N 3.26Å; S32-L34 PolarHBondContact O-N 3.06Å; S32-G35 PolarHBondContact O-N 3.04Å; S32-D36 PolarHBondContact O-N 2.76Å; S32-D36 VanDerWaalsContact O-N 3.07Å |
| 33 | L | 73 | Confident | 75.3 | Confident | 119 Ų | 119 | 85.1 Ų | 85.1 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -28.8 | -179.5 | -68.1 | 171.7 | 0 | 0 | 0 | 113.5 | I29 L30 | I29-L33 HydrophobicContact CG2-CD1 3.79Å; I29-L33 HydrophobicContact CG2-CG 4.41Å; I29-L33 WeakPolarHBondContact O-CB 3.31Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.39Å; I29-L33 PolarHBondContact O-N 2.89Å; L30-L33 PolarHBondContact O-N 2.96Å |
| 34 | L | 67.6 | Low | 76.2 | Confident | 113 Ų | 113 | 86.5 Ų | 86.5 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -80.9 | -33.1 | 171.2 | -93.3 | 61.4 | 0 | 0 | 0 | 112.7 | L30 S32 G37 | L30-L34 HydrophobicContact CD1-CD1 3.74Å; L30-L34 HydrophobicContact CG-CD1 4.18Å; L30-L34 WeakPolarHBondContact O-CB 3.29Å; L30-L34 WeakPolarHBondContact O-CD1 3.37Å; L30-L34 PolarHBondContact O-N 2.9Å; S32-L34 VanDerWaalsContact C-N 3.26Å; S32-L34 PolarHBondContact O-N 3.06Å; L34-G37 PolarHBondContact O-N 3.19Å |
| 35 | G | 60 | Low | 77 | Confident | 42 Ų | 42 | 80.3 Ų | 80.3 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | C31 S32 G37 L38 | C31-G35 PolarHBondContact O-N 3.29Å; S32-G35 PolarHBondContact O-N 3.04Å; G35-G37 PolarHBondContact O-N 3.01Å; G35-L38 PolarHBondContact O-N 3.08Å |
| 36 | D | 60 | Low | 77.5 | Confident | 123 Ų | 123 | 79.3 Ų | 79.3 | 66% | 0.658 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -62.6 | -24.1 | -179.7 | -65.4 | -32.9 | 0 | 0 | 0 | 112.9 | S32 L38 | S32-D36 PolarHBondContact O-N 2.76Å; S32-D36 VanDerWaalsContact O-N 3.07Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 2.83Å |
| 37 | G | 55.2 | Low | 77.9 | Confident | 52 Ų | 52 | 79.2 Ų | 79.2 | 54% | 0.536 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -70 | -23.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L34 G35 | L34-G37 PolarHBondContact O-N 3.19Å; G35-G37 PolarHBondContact O-N 3.01Å |
| 38 | L | 60.3 | Low | 78.3 | Confident | 142 Ų | 142 | 75.1 Ų | 75.1 | 74% | 0.743 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -85.6 | -15.4 | -178.4 | -69.1 | 173.7 | 0 | 0 | 0 | 113.5 | G35 D36 S40 V41 | G35-L38 PolarHBondContact O-N 3.08Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 2.83Å; L38-S40 PolarHBondContact O-N 3.41Å; L38-V41 PolarHBondContact O-N 3.26Å |
| 39 | A | 61.7 | Low | 78.9 | Confident | 51 Ų | 51 | 80.1 Ų | 80.1 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 24.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | N91 G92 | A39-N91 CarbonylContact O-C 3.44Å; A39-N91 WeakPolarHBondContact O-CA 3.06Å; A39-G92 PolarHBondContact O-N 2.87Å |
| 40 | S | 82.3 | Confident | 79.4 | Confident | 60 Ų | 60 | 79.9 Ų | 79.9 | 42% | 0.42 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -10.3 | 178 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | L38 T65 S66 | L38-S40 PolarHBondContact O-N 3.41Å; S40-T65 CarbonylContact O-C 3.01Å; S40-T65 VanDerWaalsContact O-CA 3.24Å; S40-T65 WeakPolarHBondContact O-CA 3.49Å; S40-S66 PolarHBondContact O-N 2.88Å |
| 41 | V | 90.6 | Very high | 80 | Confident | 59 Ų | 59 | 76.9 Ų | 76.9 | 36% | 0.358 | 46% | 0.462 | S | S | . | . | B | Isolated β-bridge | trans | -118 | 129.6 | -179.5 | 169.4 | 0 | 0 | 0 | 0 | 109.8 | L38 P63 T65 G92 | L38-V41 PolarHBondContact O-N 3.26Å; V41-P63 HydrophobicContact CG1-CB 3.75Å; V41-P63 HydrophobicContact CG2-CB 4.07Å; V41-P63 HydrophobicContact CG2-CG 3.96Å; V41-T65 HydrophobicContact CG2-CG2 4.29Å; V41-G92 WeakPolarHBondContact O-CA 3.39Å |
| 42 | C | 91.1 | Very high | 80.7 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 5% | 0.047 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 151.5 | 172 | -71.5 | 0 | 0 | 0 | 0 | 111.9 | L64 C89 W94 | C42-L64 PolarHBondContact N-O 2.89Å; C42-C89 HydrophobicContact CB-CB 3.88Å; C42-C89 WeakPolarHBondContact CB-SG 3.49Å; C42-C89 WeakPolarHBondContact SG-CA 3.37Å; C42-C89 WeakPolarHBondContact SG-CB 2.96Å; C42-C89 CovalentContact SG-SG 2.02Å; C42-C89 PolarHBondContact SG-SG 2.9Å; C42-W94 HydrophobicContact CB-CD2 4.31Å; C42-W94 HydrophobicContact CB-CZ2 3.74Å |
| 43 | P | 91.4 | Very high | 81.4 | Confident | 82 Ų | 82 | 73.1 Ų | 73.1 | 53% | 0.532 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 163.6 | 168.8 | 30.1 | -36.1 | 0 | 0 | 0 | 110.8 | G92 W94 | P43-G92 WeakPolarHBondContact CD-O 3.41Å; P43-W94 PolarHBondContact O-NE1 3.41Å |
| 44 | L | 90.8 | Very high | 82.5 | Confident | 128 Ų | 128 | 69.1 Ų | 69.1 | 67% | 0.67 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 134.8 | 172.2 | -165.6 | 70.5 | 0 | 0 | 0 | 110 | Y53 | L44-Y53 WeakPolarHBondContact CD1-OH 3.31Š|
| 45 | P | 91.3 | Very high | 83.8 | Confident | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.039 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 145.5 | 178.2 | -23.2 | 33.4 | 0 | 0 | 0 | 112.6 | E47 Y53 L64 I70 Y72 W94 | P45-E47 PolarHBondContact O-N 3.25Å; P45-Y53 HydrophobicContact CB-CD1 4.13Å; P45-Y53 HydrophobicContact CB-CE1 3.95Å; P45-Y53 HydrophobicContact CB-CE2 4.37Å; P45-Y53 HydrophobicContact CB-CG 4.43Å; P45-Y53 HydrophobicContact CG-CD2 4.18Å; P45-Y53 HydrophobicContact CG-CE1 4.19Å; P45-Y53 HydrophobicContact CG-CE2 3.78Å; P45-L64 HydrophobicContact CG-CD1 4.15Å; P45-I70 HydrophobicContact CB-CD1 3.53Å; P45-I70 HydrophobicContact CG-CD1 3.53Å; P45-I70 HydrophobicContact CG-CG2 4.34Å; P45-Y72 WeakPolarHBondContact CB-OH 3.33Å; P45-W94 HydrophobicContact CG-CH2 4.3Å; P45-W94 HydrophobicContact CG-CZ2 3.69Å |
| 46 | P | 89 | Confident | 85.3 | Confident | 85 Ų | 85 | 65.6 Ų | 65.6 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | trans | -68.7 | 114.3 | 171 | 29 | -33.8 | 0 | 0 | 0 | 110.1 | Y72 | P46-Y72 WeakPolarHBondContact CD-OH 3.41Å; P46-Y72 WeakPolarHBondContact O-CE1 3.31Å; P46-Y72 PolarHBondContact O-OH 2.79Å | ||
| 47 | E | 89.8 | Confident | 86.9 | Confident | 127 Ų | 127 | 64.6 Ų | 64.6 | 59% | 0.593 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 122.9 | 178.2 | -170.8 | 153.6 | -129.7 | 0 | 0 | 110.6 | P45 G52 Y53 | P45-E47 PolarHBondContact O-N 3.25Å; E47-G52 WeakPolarHBondContact OE1-CA 3.24Å; E47-Y53 HydrophobicContact CB-CE1 4.46Å |
| 48 | P | 90.5 | Very high | 88.7 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 8% | 0.078 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 145.4 | -178.8 | 29.8 | -34.8 | 0 | 0 | 0 | 111.8 | G51 Y72 V100 | P48-G51 PolarHBondContact O-N 3.4Å; P48-G51 VanDerWaalsContact O-N 3.09Å; P48-Y72 HydrophobicContact CG-CD1 4.21Å; P48-V100 HydrophobicContact CB-CG1 4.17Å; P48-V100 HydrophobicContact CG-CG1 3.97Å |
| 49 | E | 91.4 | Very high | 90.2 | Very high | 166 Ų | 166 | 69 Ų | 69 | 78% | 0.776 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 140.9 | 166.4 | -168.8 | 173.6 | -173.2 | 0 | 0 | 109.8 | G51 C102 | E49-G51 PolarHBondContact O-N 3.02Å; E49-C102 WeakPolarHBondContact O-CB 3.45Å |
| 50 | N | 92.9 | Very high | 91.6 | Very high | 69 Ų | 69 | 69.1 Ų | 69.1 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 30 | -171.3 | -53.7 | 117.1 | 0 | 0 | 0 | 114.7 | A75 Y78 C102 | N50-A75 WeakPolarHBondContact O-CB 3.38Å; N50-A75 PolarHBondContact O-N 2.85Å; N50-Y78 HydrophobicContact CB-CD1 3.57Å; N50-Y78 HydrophobicContact CB-CD2 4.11Å; N50-Y78 HydrophobicContact CB-CE1 3.44Å; N50-Y78 VanDerWaalsContact CB-CE1 3.44Å; N50-Y78 HydrophobicContact CB-CE2 4.02Å; N50-Y78 HydrophobicContact CB-CG 3.92Å; N50-Y78 PolarHBondContact ND2-OH 3.32Å; N50-Y78 WeakPolarHBondContact OD1-CE1 3.36Å; N50-Y78 PolarHBondContact OD1-OH 2.88Å; N50-C102 HydrophobicContact CB-CB 4.47Å |
| 51 | G | 93.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 73.5 Ų | 73.5 | 28% | 0.278 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | -161.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P48 E49 L73 | P48-G51 PolarHBondContact O-N 3.4Å; P48-G51 VanDerWaalsContact O-N 3.09Å; E49-G51 PolarHBondContact O-N 3.02Å; G51-L73 CarbonylContact C-O 3.21Å; G51-L73 WeakPolarHBondContact CA-O 3.19Å |
| 52 | G | 93.8 | Very high | 91.8 | Very high | 15 Ų | 15 | 77.4 Ų | 77.4 | 16% | 0.155 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | -175.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E47 Y72 L73 | E47-G52 WeakPolarHBondContact OE1-CA 3.24Å; G52-Y72 WeakPolarHBondContact O-CA 3.15Å; G52-L73 PolarHBondContact N-O 2.86Å; G52-L73 PolarHBondContact O-N 2.87Å |
| 53 | Y | 94 | Very high | 91.7 | Very high | 51 Ų | 51 | 80.9 Ų | 80.9 | 20% | 0.2 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 159.9 | 174.2 | 65.5 | -86.2 | 0 | 0 | 0 | 113.5 | L44 P45 E47 I70 E71 Y72 | L44-Y53 WeakPolarHBondContact CD1-OH 3.31Å; P45-Y53 HydrophobicContact CB-CD1 4.13Å; P45-Y53 HydrophobicContact CB-CE1 3.95Å; P45-Y53 HydrophobicContact CB-CE2 4.37Å; P45-Y53 HydrophobicContact CB-CG 4.43Å; P45-Y53 HydrophobicContact CG-CD2 4.18Å; P45-Y53 HydrophobicContact CG-CE1 4.19Å; P45-Y53 HydrophobicContact CG-CE2 3.78Å; E47-Y53 HydrophobicContact CB-CE1 4.46Å; Y53-I70 HydrophobicContact CD2-CB 4.3Å; Y53-I70 HydrophobicContact CD2-CG2 4.04Å; Y53-E71 CarbonylContact C-O 3.58Å; Y53-E71 WeakPolarHBondContact CA-O 3.3Å; Y53-E71 WeakPolarHBondContact CB-O 3.22Å; Y53-Y72 HydrophobicContact CD1-CE1 4.21Å; Y53-Y72 HydrophobicContact CG-CE1 4.37Å |
| 54 | I | 94.6 | Very high | 91.6 | Very high | 34 Ų | 34 | 77.4 Ų | 77.4 | 17% | 0.174 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 151.2 | 171.6 | 60.6 | 178.2 | 0 | 0 | 0 | 110.1 | I70 E71 L73 | I54-I70 CarbonylContact O-C 3.12Å; I54-I70 WeakPolarHBondContact O-CA 3.3Å; I54-E71 HydrophobicContact CD1-CB 4.27Å; I54-E71 HydrophobicContact CG1-CB 3.84Å; I54-E71 PolarHBondContact N-O 3.09Å; I54-E71 PolarHBondContact O-N 2.83Å; I54-L73 HydrophobicContact CB-CD1 4.41Å; I54-L73 HydrophobicContact CD1-CD1 3.88Å; I54-L73 HydrophobicContact CG1-CD1 3.75Å; I54-L73 HydrophobicContact CG2-CD1 4.01Å |
| 55 | C | 95 | Very high | 91.7 | Very high | 7 Ų | 7 | 74.7 Ų | 74.7 | 5% | 0.047 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 150.5 | 171.8 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | P57 R58 C60 V69 | C55-P57 CarbonylContact C-O 3.48Å; C55-P57 CarbonylContact O-C 3.48Å; C55-R58 WeakPolarHBondContact O-CG 3.45Å; C55-R58 PolarHBondContact O-N 2.77Å; C55-C60 HydrophobicContact CB-CB 3.85Å; C55-C60 WeakPolarHBondContact CB-SG 3.31Å; C55-C60 WeakPolarHBondContact SG-CA 2.98Å; C55-C60 WeakPolarHBondContact SG-CB 3.09Å; C55-C60 CovalentContact SG-SG 2.04Å; C55-C60 PolarHBondContact SG-SG 2.8Å; C55-V69 WeakPolarHBondContact CA-O 3.44Å |
| 56 | H | 93.4 | Very high | 91.7 | Very high | 75 Ų | 75 | 76.6 Ų | 76.6 | 35% | 0.347 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117 | 175.4 | -74.6 | -69.9 | 0 | 0 | 0 | 110.6 | V69 E71 | H56-V69 HydrophobicContact CB-CB 4.26Å; H56-V69 HydrophobicContact CB-CG1 4.42Å; H56-V69 PolarHBondContact N-O 3.11Å; H56-E71 IonicContact CD2-OE2 2.63Å; H56-E71 IonicContact CE1-OE2 3.41Å; H56-E71 PolarHBondContact CE1-OE2 3.46Å; H56-E71 WeakPolarHBondContact NE2-CB 3.36Å; H56-E71 IonicContact NE2-OE2 2.72Å; H56-E71 PolarHBondContact NE2-OE2 2.68Å |
| 57 | P | 93.4 | Very high | 91.7 | Very high | 102 Ų | 102 | 75.3 Ų | 75.3 | 66% | 0.662 | 42% | 0.417 | S | S | * | . | S | Bend | cis | -68.3 | 161.7 | -8.7 | 32 | -36.7 | 0 | 0 | 0 | 112.4 | C55 | C55-P57 CarbonylContact C-O 3.48Å; C55-P57 CarbonylContact O-C 3.48Å |
| 58 | R | 91.9 | Very high | 91.9 | Very high | 177 Ų | 177 | 70.4 Ų | 70.4 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -79.3 | 150.9 | 168.8 | -59.5 | -179.2 | -171.7 | 172.7 | 3.7 | 110.2 | C55 | C55-R58 WeakPolarHBondContact O-CG 3.45Å; C55-R58 PolarHBondContact O-N 2.77Å |
| 59 | P | 92.4 | Very high | 92.1 | Very high | 109 Ų | 109 | 71.8 Ų | 71.8 | 71% | 0.708 | 41% | 0.405 | S | S | * | . | S | Bend | cis | -74.4 | 169.2 | -9.6 | 34.2 | -36.9 | 0 | 0 | 0 | 112 | ||
| 60 | C | 90.7 | Very high | 92.3 | Very high | 53 Ų | 53 | 63.9 Ų | 63.9 | 36% | 0.358 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 147.5 | 166.8 | -65.7 | 0 | 0 | 0 | 0 | 111.2 | C55 | C55-C60 HydrophobicContact CB-CB 3.85Å; C55-C60 WeakPolarHBondContact CB-SG 3.31Å; C55-C60 WeakPolarHBondContact SG-CA 2.98Å; C55-C60 WeakPolarHBondContact SG-CB 3.09Å; C55-C60 CovalentContact SG-SG 2.04Å; C55-C60 PolarHBondContact SG-SG 2.8Å |
| 61 | K | 88.6 | Confident | 92.4 | Very high | 153 Ų | 153 | 61.7 Ų | 61.7 | 67% | 0.665 | 36% | 0.356 | S | S | * | . | trans | -113 | 124.9 | 175.1 | -65.5 | 179.8 | -177.4 | 175.9 | 0 | 108.5 | P63 L64 | K61-P63 CarbonylContact O-C 3.49Å; K61-L64 WeakPolarHBondContact O-CD2 3.18Å; K61-L64 PolarHBondContact O-N 3.48Å | ||
| 62 | D | 87.7 | Confident | 92.5 | Very high | 140 Ų | 140 | 60.7 Ų | 60.7 | 75% | 0.749 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -97.7 | 126.8 | 175.7 | -59.1 | -54.7 | 0 | 0 | 0 | 109.9 | ||
| 63 | P | 89.5 | Confident | 92.5 | Very high | 81 Ų | 81 | 63.6 Ų | 63.6 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | S | Bend | cis | -78.9 | 154.9 | -5 | 34.1 | -35.9 | 0 | 0 | 0 | 113.4 | V41 K61 T65 | V41-P63 HydrophobicContact CG1-CB 3.75Å; V41-P63 HydrophobicContact CG2-CB 4.07Å; V41-P63 HydrophobicContact CG2-CG 3.96Å; K61-P63 CarbonylContact O-C 3.49Å; P63-T65 PolarHBondContact O-N 3.3Å; P63-T65 VanDerWaalsContact O-N 3.08Å |
| 64 | L | 90.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 62.8 Ų | 62.8 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | trans | -72.9 | 98 | 176.4 | -67.9 | 167.9 | 0 | 0 | 0 | 110.9 | C42 P45 K61 W94 | C42-L64 PolarHBondContact N-O 2.89Å; P45-L64 HydrophobicContact CG-CD1 4.15Å; K61-L64 WeakPolarHBondContact O-CD2 3.18Å; K61-L64 PolarHBondContact O-N 3.48Å; L64-W94 HydrophobicContact CB-CH2 4.3Å; L64-W94 HydrophobicContact CB-CZ2 4.18Å; L64-W94 HydrophobicContact CD1-CH2 4.08Å; L64-W94 HydrophobicContact CD1-CZ2 3.81Å | ||
| 65 | T | 91.1 | Very high | 92.5 | Very high | 70 Ų | 70 | 63.3 Ų | 63.3 | 43% | 0.429 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -82.2 | 162.2 | -179.3 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | S40 V41 P63 G67 S68 | S40-T65 CarbonylContact O-C 3.01Å; S40-T65 VanDerWaalsContact O-CA 3.24Å; S40-T65 WeakPolarHBondContact O-CA 3.49Å; V41-T65 HydrophobicContact CG2-CG2 4.29Å; P63-T65 PolarHBondContact O-N 3.3Å; P63-T65 VanDerWaalsContact O-N 3.08Å; T65-G67 PolarHBondContact O-N 3.22Å; T65-S68 PolarHBondContact N-OG 2.73Å; T65-S68 WeakPolarHBondContact O-CB 3.38Å; T65-S68 PolarHBondContact O-N 2.83Å; T65-S68 PolarHBondContact O-OG 3.49Å |
| 66 | S | 91.7 | Very high | 92.4 | Very high | 46 Ų | 46 | 71.8 Ų | 71.8 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.8 | 132 | 166.7 | -73.2 | 0 | 0 | 0 | 0 | 111.7 | S40 C89 N91 | S40-S66 PolarHBondContact O-N 2.88Å; S66-C89 WeakPolarHBondContact CA-O 3.25Å; S66-C89 PolarHBondContact N-SG 2.89Å; S66-C89 VanDerWaalsContact N-SG 3.41Å; S66-N91 PolarHBondContact OG-N 3.43Å |
| 67 | G | 90.4 | Very high | 92.2 | Very high | 59 Ų | 59 | 69.7 Ų | 69.7 | 61% | 0.608 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | -14 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T65 C89 | T65-G67 PolarHBondContact O-N 3.22Å; G67-C89 PolarHBondContact N-O 3.45Å |
| 68 | S | 93.5 | Very high | 92.2 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | trans | -64.6 | 133.8 | 171.9 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | T65 T88 C89 | T65-S68 PolarHBondContact N-OG 2.73Å; T65-S68 WeakPolarHBondContact O-CB 3.38Å; T65-S68 PolarHBondContact O-N 2.83Å; T65-S68 PolarHBondContact O-OG 3.49Å; S68-T88 WeakPolarHBondContact O-CA 3.18Å; S68-C89 PolarHBondContact O-N 3.38Å | ||
| 69 | V | 94.8 | Very high | 92.1 | Very high | 41 Ų | 41 | 64.2 Ų | 64.2 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.2 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | C55 H56 Y86 L87 T88 | C55-V69 WeakPolarHBondContact CA-O 3.44Å; H56-V69 HydrophobicContact CB-CB 4.26Å; H56-V69 HydrophobicContact CB-CG1 4.42Å; H56-V69 PolarHBondContact N-O 3.11Å; V69-Y86 HydrophobicContact CG1-CD1 4.45Å; V69-L87 WeakPolarHBondContact CA-O 3.43Å; V69-T88 HydrophobicContact CG2-CG2 4.05Å |
| 70 | I | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 155.6 | 169.6 | 64.7 | 176.3 | 0 | 0 | 0 | 110.8 | P45 Y53 I54 Y72 Y86 L87 W94 | P45-I70 HydrophobicContact CB-CD1 3.53Å; P45-I70 HydrophobicContact CG-CD1 3.53Å; P45-I70 HydrophobicContact CG-CG2 4.34Å; Y53-I70 HydrophobicContact CD2-CB 4.3Å; Y53-I70 HydrophobicContact CD2-CG2 4.04Å; I54-I70 CarbonylContact O-C 3.12Å; I54-I70 WeakPolarHBondContact O-CA 3.3Å; I70-Y72 HydrophobicContact CD1-CE2 3.84Å; I70-Y72 HydrophobicContact CG1-CE2 4.43Å; I70-Y86 VanDerWaalsContact O-CA 3.26Å; I70-Y86 WeakPolarHBondContact O-CA 3.19Å; I70-L87 HydrophobicContact CD1-CB 4.07Å; I70-L87 HydrophobicContact CG1-CB 3.8Å; I70-L87 PolarHBondContact N-O 3.43Å; I70-L87 PolarHBondContact O-N 2.86Å; I70-W94 HydrophobicContact CD1-CD2 4.48Å; I70-W94 HydrophobicContact CD1-CE3 4.17Å; I70-W94 HydrophobicContact CD1-CH2 4.38Å; I70-W94 HydrophobicContact CD1-CZ3 4.1Å; I70-W94 HydrophobicContact CG1-CE3 4.27Å; I70-W94 HydrophobicContact CG1-CH2 4.49Å; I70-W94 HydrophobicContact CG1-CZ3 3.95Å; I70-W94 HydrophobicContact CG2-CH2 3.81Å; I70-W94 HydrophobicContact CG2-CZ3 3.99Å |
| 71 | E | 95 | Very high | 91.9 | Very high | 23 Ų | 23 | 63.5 Ų | 63.5 | 11% | 0.107 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 130.8 | 170.4 | 178.1 | -177.3 | 175.2 | 0 | 0 | 109 | Y53 I54 H56 L73 K85 Y86 | Y53-E71 CarbonylContact C-O 3.58Å; Y53-E71 WeakPolarHBondContact CA-O 3.3Å; Y53-E71 WeakPolarHBondContact CB-O 3.22Å; I54-E71 HydrophobicContact CD1-CB 4.27Å; I54-E71 HydrophobicContact CG1-CB 3.84Å; I54-E71 PolarHBondContact N-O 3.09Å; I54-E71 PolarHBondContact O-N 2.83Å; H56-E71 IonicContact CD2-OE2 2.63Å; H56-E71 IonicContact CE1-OE2 3.41Å; H56-E71 PolarHBondContact CE1-OE2 3.46Å; H56-E71 WeakPolarHBondContact NE2-CB 3.36Å; H56-E71 IonicContact NE2-OE2 2.72Å; H56-E71 PolarHBondContact NE2-OE2 2.68Å; E71-L73 HydrophobicContact CG-CD1 4.39Å; E71-K85 CarbonylContact C-O 3.54Å; E71-K85 WeakPolarHBondContact CA-O 3.21Å; E71-K85 HydrophobicContact CG-CD 3.9Å; E71-K85 HydrophobicContact CG-CG 4.14Å; E71-K85 WeakPolarHBondContact OE1-CD 3.29Å; E71-K85 WeakPolarHBondContact OE1-CE 3.14Å; E71-K85 IonicContact OE1-NZ 2.63Å; E71-K85 PolarHBondContact OE1-NZ 3.35Å; E71-Y86 HydrophobicContact CB-CD1 3.72Å; E71-Y86 HydrophobicContact CB-CE1 3.74Å; E71-Y86 HydrophobicContact CG-CD1 3.99Å; E71-Y86 HydrophobicContact CG-CE1 3.69Å |
| 72 | Y | 95.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 142.6 | 173.5 | -72.3 | -77.6 | 0 | 0 | 0 | 111.8 | P45 P46 P48 G52 Y53 I70 K85 L87 V100 | P45-Y72 WeakPolarHBondContact CB-OH 3.33Å; P46-Y72 WeakPolarHBondContact CD-OH 3.41Å; P46-Y72 WeakPolarHBondContact O-CE1 3.31Å; P46-Y72 PolarHBondContact O-OH 2.79Å; P48-Y72 HydrophobicContact CG-CD1 4.21Å; G52-Y72 WeakPolarHBondContact O-CA 3.15Å; Y53-Y72 HydrophobicContact CD1-CE1 4.21Å; Y53-Y72 HydrophobicContact CG-CE1 4.37Å; I70-Y72 HydrophobicContact CD1-CE2 3.84Å; I70-Y72 HydrophobicContact CG1-CE2 4.43Å; Y72-K85 PolarHBondContact N-O 3.3Å; Y72-L87 HydrophobicContact CD2-CD1 3.87Å; Y72-L87 HydrophobicContact CE2-CD1 3.54Å; Y72-L87 HydrophobicContact CE2-CD2 3.96Å; Y72-L87 HydrophobicContact CE2-CG 4.22Å; Y72-V100 HydrophobicContact CD1-CG1 3.65Å; Y72-V100 HydrophobicContact CD2-CG1 3.87Å; Y72-V100 HydrophobicContact CD2-CG2 4.13Å; Y72-V100 HydrophobicContact CE1-CG1 3.8Å; Y72-V100 HydrophobicContact CE2-CB 4.47Å; Y72-V100 HydrophobicContact CE2-CG1 4Å; Y72-V100 HydrophobicContact CE2-CG2 3.72Å; Y72-V100 HydrophobicContact CG-CG1 3.68Å |
| 73 | L | 93.7 | Very high | 91.5 | Very high | 77 Ų | 77 | 60.1 Ų | 60.1 | 40% | 0.403 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 139.9 | 174.1 | -60.8 | 93.6 | 0 | 0 | 0 | 109.1 | G51 G52 I54 E71 | G51-L73 CarbonylContact C-O 3.21Å; G51-L73 WeakPolarHBondContact CA-O 3.19Å; G52-L73 PolarHBondContact N-O 2.86Å; G52-L73 PolarHBondContact O-N 2.87Å; I54-L73 HydrophobicContact CB-CD1 4.41Å; I54-L73 HydrophobicContact CD1-CD1 3.88Å; I54-L73 HydrophobicContact CG1-CD1 3.75Å; I54-L73 HydrophobicContact CG2-CD1 4.01Å; E71-L73 HydrophobicContact CG-CD1 4.39Å |
| 74 | C | 94.3 | Very high | 91.5 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 158 | 171.9 | -61 | 0 | 0 | 0 | 0 | 110.7 | M79 L80 C102 | C74-M79 VanDerWaalsContact SG-C 3.52Å; C74-L80 PolarHBondContact SG-N 3.3Å; C74-L80 VanDerWaalsContact SG-N 3.4Å; C74-C102 WeakPolarHBondContact CA-SG 3.43Å; C74-C102 HydrophobicContact CB-CB 3.71Å; C74-C102 WeakPolarHBondContact CB-SG 3.44Å; C74-C102 VanDerWaalsContact SG-CA 3.6Å; C74-C102 WeakPolarHBondContact SG-CB 3.29Å; C74-C102 CovalentContact SG-SG 2.04Å; C74-C102 PolarHBondContact SG-SG 3.42Å |
| 75 | A | 93.9 | Very high | 91.6 | Very high | 44 Ų | 44 | 65.9 Ų | 65.9 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 164.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | N50 G77 Y78 | N50-A75 WeakPolarHBondContact O-CB 3.38Å; N50-A75 PolarHBondContact O-N 2.85Å; A75-G77 PolarHBondContact O-N 3.41Å; A75-Y78 HydrophobicContact CB-CD2 4.27Å; A75-Y78 WeakPolarHBondContact O-CB 3.32Å; A75-Y78 PolarHBondContact O-N 3.46Å |
| 76 | E | 92.7 | Very high | 91.7 | Very high | 186 Ų | 186 | 66.8 Ų | 66.8 | 87% | 0.869 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 132.1 | 176.6 | -176.7 | 167 | -156.4 | 0 | 0 | 111.1 | ||
| 77 | G | 89.8 | Confident | 91.8 | Very high | 31 Ų | 31 | 64.9 Ų | 64.9 | 32% | 0.32 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -5.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A75 N105 | A75-G77 PolarHBondContact O-N 3.41Å; G77-N105 WeakPolarHBondContact O-CB 3.32Å; G77-N105 PolarHBondContact O-N 2.81Å |
| 78 | Y | 92.9 | Very high | 92 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 29% | 0.29 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 152.2 | 179.2 | -68.7 | -108.7 | 0 | 0 | 0 | 112.2 | N50 A75 C102 H103 L104 | N50-Y78 HydrophobicContact CB-CD1 3.57Å; N50-Y78 HydrophobicContact CB-CD2 4.11Å; N50-Y78 HydrophobicContact CB-CE1 3.44Å; N50-Y78 VanDerWaalsContact CB-CE1 3.44Å; N50-Y78 HydrophobicContact CB-CE2 4.02Å; N50-Y78 HydrophobicContact CB-CG 3.92Å; N50-Y78 PolarHBondContact ND2-OH 3.32Å; N50-Y78 WeakPolarHBondContact OD1-CE1 3.36Å; N50-Y78 PolarHBondContact OD1-OH 2.88Å; A75-Y78 HydrophobicContact CB-CD2 4.27Å; A75-Y78 WeakPolarHBondContact O-CB 3.32Å; A75-Y78 PolarHBondContact O-N 3.46Å; Y78-C102 HydrophobicContact CD1-CB 4.32Å; Y78-H103 CarbonylContact C-O 3.51Å; Y78-H103 WeakPolarHBondContact CA-O 3.27Å; Y78-H103 WeakPolarHBondContact CB-O 3.44Å; Y78-L104 HydrophobicContact CD2-CD1 4.37Å; Y78-L104 HydrophobicContact CE1-CB 4.49Å; Y78-L104 HydrophobicContact CE2-CD1 4.07Å |
| 79 | M | 91.2 | Very high | 92 | Very high | 90 Ų | 90 | 62.4 Ų | 62.4 | 44% | 0.443 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 149.2 | 174.2 | -70.1 | -169.3 | -54.6 | 0 | 0 | 111.4 | C74 C102 H103 N105 | C74-M79 VanDerWaalsContact SG-C 3.52Å; M79-C102 CarbonylContact O-C 3.51Å; M79-C102 WeakPolarHBondContact O-CA 3.38Å; M79-H103 PolarHBondContact N-O 2.82Å; M79-H103 PolarHBondContact O-N 3.46Å; M79-N105 HydrophobicContact CE-CB 4.11Å; M79-N105 WeakPolarHBondContact CE-OD1 3.46Å; M79-N105 HydrophobicContact CG-CB 3.98Å; M79-N105 HydrophobicContact SD-CB 4.36Å; M79-N105 PolarHBondContact SD-ND2 2.81Å; M79-N105 VanDerWaalsContact SD-ND2 3.36Å |
| 80 | L | 91.1 | Very high | 91.9 | Very high | 37 Ų | 37 | 66 Ų | 66 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 145.3 | 175.3 | -175.3 | 65.2 | 0 | 0 | 0 | 110.5 | C74 G82 Y84 K85 V100 | C74-L80 PolarHBondContact SG-N 3.3Å; C74-L80 VanDerWaalsContact SG-N 3.4Å; L80-G82 VanDerWaalsContact C-N 3.33Å; L80-G82 PolarHBondContact O-N 3.5Å; L80-Y84 WeakPolarHBondContact CD2-O 3.46Å; L80-K85 HydrophobicContact CD2-CB 3.69Å; L80-V100 HydrophobicContact CD1-CG1 3.83Å |
| 81 | K | 87.2 | Confident | 91.6 | Very high | 110 Ų | 110 | 72.1 Ų | 72.1 | 48% | 0.478 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -66.7 | 84.2 | 173.8 | -171.6 | 175.3 | 177.9 | 175.9 | 0 | 112.2 | E99 S101 | K81-E99 IonicContact NZ-OE2 3.84Å; K81-E99 PolarHBondContact NZ-OE2 3.12Å; K81-S101 WeakPolarHBondContact CB-OG 3.38Å; K81-S101 VanDerWaalsContact CD-OG 3.25Å; K81-S101 WeakPolarHBondContact CD-OG 3.4Å; K81-S101 PolarHBondContact N-O 2.79Å |
| 82 | G | 84.9 | Confident | 91.4 | Very high | 45 Ų | 45 | 71.8 Ų | 71.8 | 46% | 0.464 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 98.1 | 166.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L80 Y84 | L80-G82 VanDerWaalsContact C-N 3.33Å; L80-G82 PolarHBondContact O-N 3.5Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.92Å |
| 83 | D | 83.6 | Confident | 91.3 | Very high | 176 Ų | 176 | 76.8 Ų | 76.8 | 94% | 0.941 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -74.8 | -10.9 | -163.9 | -45.1 | -70.4 | 0 | 0 | 0 | 114.9 | ||
| 84 | Y | 88.5 | Confident | 91.2 | Very high | 132 Ų | 132 | 74.4 Ų | 74.4 | 52% | 0.518 | 38% | 0.381 | S | S | . | . | trans | -98.4 | 115.9 | -174.5 | -154.5 | -106.4 | 0 | 0 | 0 | 111.1 | L80 G82 Y86 P96 M98 | L80-Y84 WeakPolarHBondContact CD2-O 3.46Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.92Å; Y84-Y86 WeakPolarHBondContact CD1-O 3.43Å; Y84-Y86 WeakPolarHBondContact CE1-O 3.36Å; Y84-P96 HydrophobicContact CD1-CG 3.78Å; Y84-P96 HydrophobicContact CE1-CG 3.71Å; Y84-M98 HydrophobicContact CD1-SD 4.05Å; Y84-M98 WeakPolarHBondContact O-CE 3.09Å | ||
| 85 | K | 92.6 | Very high | 91.1 | Very high | 80 Ų | 80 | 76.3 Ų | 76.3 | 35% | 0.348 | 39% | 0.385 | S | S | . | . | trans | -111 | -2.4 | -175.2 | 62.7 | 175.6 | 178.4 | 168.4 | 0 | 115.9 | E71 Y72 L80 | E71-K85 CarbonylContact C-O 3.54Å; E71-K85 WeakPolarHBondContact CA-O 3.21Å; E71-K85 HydrophobicContact CG-CD 3.9Å; E71-K85 HydrophobicContact CG-CG 4.14Å; E71-K85 WeakPolarHBondContact OE1-CD 3.29Å; E71-K85 WeakPolarHBondContact OE1-CE 3.14Å; E71-K85 IonicContact OE1-NZ 2.63Å; E71-K85 PolarHBondContact OE1-NZ 3.35Å; Y72-K85 PolarHBondContact N-O 3.3Å; L80-K85 HydrophobicContact CD2-CB 3.69Å | ||
| 86 | Y | 94.1 | Very high | 91 | Very high | 89 Ų | 89 | 76.7 Ų | 76.7 | 35% | 0.349 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.1 | -174.1 | -58.6 | -77 | 0 | 0 | 0 | 112.2 | V69 I70 E71 Y84 | V69-Y86 HydrophobicContact CG1-CD1 4.45Å; I70-Y86 VanDerWaalsContact O-CA 3.26Å; I70-Y86 WeakPolarHBondContact O-CA 3.19Å; E71-Y86 HydrophobicContact CB-CD1 3.72Å; E71-Y86 HydrophobicContact CB-CE1 3.74Å; E71-Y86 HydrophobicContact CG-CD1 3.99Å; E71-Y86 HydrophobicContact CG-CE1 3.69Å; Y84-Y86 WeakPolarHBondContact CD1-O 3.43Å; Y84-Y86 WeakPolarHBondContact CE1-O 3.36Å |
| 87 | L | 93.6 | Very high | 90.8 | Very high | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.1 | 168.3 | -78.8 | 65.3 | 0 | 0 | 0 | 109.4 | V69 I70 Y72 W94 M98 | V69-L87 WeakPolarHBondContact CA-O 3.43Å; I70-L87 HydrophobicContact CD1-CB 4.07Å; I70-L87 HydrophobicContact CG1-CB 3.8Å; I70-L87 PolarHBondContact N-O 3.43Å; I70-L87 PolarHBondContact O-N 2.86Å; Y72-L87 HydrophobicContact CD2-CD1 3.87Å; Y72-L87 HydrophobicContact CE2-CD1 3.54Å; Y72-L87 HydrophobicContact CE2-CD2 3.96Å; Y72-L87 HydrophobicContact CE2-CG 4.22Å; L87-W94 HydrophobicContact CB-CB 4.5Å; L87-W94 HydrophobicContact CB-CE3 4Å; L87-W94 HydrophobicContact CD2-CB 4Å; L87-M98 HydrophobicContact CD1-CE 3.49Å; L87-M98 VanDerWaalsContact CD1-CE 3.49Å; L87-M98 HydrophobicContact CD1-CG 4.44Å; L87-M98 HydrophobicContact CD1-SD 4.05Å |
| 88 | T | 93.9 | Very high | 90.7 | Very high | 31 Ų | 31 | 73.7 Ų | 73.7 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.5 | 178 | -50.8 | 0 | 0 | 0 | 0 | 110.1 | S68 V69 K90 K95 | S68-T88 WeakPolarHBondContact O-CA 3.18Å; V69-T88 HydrophobicContact CG2-CG2 4.05Å; T88-K90 HydrophobicContact CG2-CD 4.48Å; T88-K90 HydrophobicContact CG2-CG 4.02Å; T88-K90 PolarHBondContact O-N 3.3Å; T88-K95 PolarHBondContact N-O 3.49Å; T88-K95 PolarHBondContact O-N 3.4Å |
| 89 | C | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 121.5 | 170.4 | 179 | 0 | 0 | 0 | 0 | 109.9 | C42 S66 G67 S68 W94 | C42-C89 HydrophobicContact CB-CB 3.88Å; C42-C89 WeakPolarHBondContact CB-SG 3.49Å; C42-C89 WeakPolarHBondContact SG-CA 3.37Å; C42-C89 WeakPolarHBondContact SG-CB 2.96Å; C42-C89 CovalentContact SG-SG 2.02Å; C42-C89 PolarHBondContact SG-SG 2.9Å; S66-C89 WeakPolarHBondContact CA-O 3.25Å; S66-C89 PolarHBondContact N-SG 2.89Å; S66-C89 VanDerWaalsContact N-SG 3.41Å; G67-C89 PolarHBondContact N-O 3.45Å; S68-C89 PolarHBondContact O-N 3.38Å; C89-W94 HydrophobicContact CB-CE3 4.04Å; C89-W94 HydrophobicContact CB-CH2 3.88Å; C89-W94 HydrophobicContact CB-CZ2 4.38Å; C89-W94 HydrophobicContact CB-CZ3 3.7Å |
| 90 | K | 93.2 | Very high | 90.3 | Very high | 117 Ų | 117 | 73.4 Ų | 73.4 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 117.6 | 177.2 | -65.3 | -175.2 | 179.9 | 178 | 0 | 109.6 | T88 G92 E93 K95 | T88-K90 HydrophobicContact CG2-CD 4.48Å; T88-K90 HydrophobicContact CG2-CG 4.02Å; T88-K90 PolarHBondContact O-N 3.3Å; K90-G92 VanDerWaalsContact C-N 3.29Å; K90-G92 PolarHBondContact O-N 3.49Å; K90-E93 PolarHBondContact N-O 3.05Å; K90-E93 PolarHBondContact O-N 3.49Å; K90-E93 VanDerWaalsContact O-O 3.1Å; K90-K95 HydrophobicContact CB-CG 4.24Å; K90-K95 HydrophobicContact CD-CB 4.5Å |
| 91 | N | 89.8 | Confident | 90.3 | Very high | 128 Ų | 128 | 73 Ų | 73 | 68% | 0.684 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 41.1 | 177.2 | -58.1 | 6.1 | 0 | 0 | 0 | 113.3 | A39 S66 E93 | A39-N91 CarbonylContact O-C 3.44Å; A39-N91 WeakPolarHBondContact O-CA 3.06Å; S66-N91 PolarHBondContact OG-N 3.43Å; N91-E93 VanDerWaalsContact C-N 3.27Å; N91-E93 PolarHBondContact O-N 3.02Å |
| 92 | G | 89.9 | Confident | 90.6 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -3.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A39 V41 P43 K90 | A39-G92 PolarHBondContact O-N 2.87Å; V41-G92 WeakPolarHBondContact O-CA 3.39Å; P43-G92 WeakPolarHBondContact CD-O 3.41Å; K90-G92 VanDerWaalsContact C-N 3.29Å; K90-G92 PolarHBondContact O-N 3.49Å |
| 93 | E | 92.4 | Very high | 90.9 | Very high | 111 Ų | 111 | 70.9 Ų | 70.9 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143.4 | 177.5 | -61.4 | -173.2 | 123.8 | 0 | 0 | 112.1 | K90 N91 K95 | K90-E93 PolarHBondContact N-O 3.05Å; K90-E93 PolarHBondContact O-N 3.49Å; K90-E93 VanDerWaalsContact O-O 3.1Å; N91-E93 VanDerWaalsContact C-N 3.27Å; N91-E93 PolarHBondContact O-N 3.02Å; E93-K95 IonicContact OE1-NZ 2.65Å; E93-K95 WeakPolarHBondContact OE2-CE 3.11Å; E93-K95 IonicContact OE2-NZ 3.88Å; E93-K95 PolarHBondContact OE2-NZ 2.88Å |
| 94 | W | 92.8 | Very high | 91.3 | Very high | 26 Ų | 26 | 67.8 Ų | 67.8 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 132.3 | 168.3 | -66.6 | 106 | 0 | 0 | 0 | 110.8 | C42 P43 P45 L64 I70 L87 C89 | C42-W94 HydrophobicContact CB-CD2 4.31Å; C42-W94 HydrophobicContact CB-CZ2 3.74Å; P43-W94 PolarHBondContact O-NE1 3.41Å; P45-W94 HydrophobicContact CG-CH2 4.3Å; P45-W94 HydrophobicContact CG-CZ2 3.69Å; L64-W94 HydrophobicContact CB-CH2 4.3Å; L64-W94 HydrophobicContact CB-CZ2 4.18Å; L64-W94 HydrophobicContact CD1-CH2 4.08Å; L64-W94 HydrophobicContact CD1-CZ2 3.81Å; I70-W94 HydrophobicContact CD1-CD2 4.48Å; I70-W94 HydrophobicContact CD1-CE3 4.17Å; I70-W94 HydrophobicContact CD1-CH2 4.38Å; I70-W94 HydrophobicContact CD1-CZ3 4.1Å; I70-W94 HydrophobicContact CG1-CE3 4.27Å; I70-W94 HydrophobicContact CG1-CH2 4.49Å; I70-W94 HydrophobicContact CG1-CZ3 3.95Å; I70-W94 HydrophobicContact CG2-CH2 3.81Å; I70-W94 HydrophobicContact CG2-CZ3 3.99Å; L87-W94 HydrophobicContact CB-CB 4.5Å; L87-W94 HydrophobicContact CB-CE3 4Å; L87-W94 HydrophobicContact CD2-CB 4Å; C89-W94 HydrophobicContact CB-CE3 4.04Å; C89-W94 HydrophobicContact CB-CH2 3.88Å; C89-W94 HydrophobicContact CB-CZ2 4.38Å; C89-W94 HydrophobicContact CB-CZ3 3.7Å |
| 95 | K | 92.5 | Very high | 91 | Very high | 75 Ų | 75 | 63 Ų | 63 | 33% | 0.326 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 136.9 | 178.5 | -58.8 | -61.9 | 175.5 | -164.6 | 0 | 110.9 | T88 K90 E93 | T88-K95 PolarHBondContact N-O 3.49Å; T88-K95 PolarHBondContact O-N 3.4Å; K90-K95 HydrophobicContact CB-CG 4.24Å; K90-K95 HydrophobicContact CD-CB 4.5Å; E93-K95 IonicContact OE1-NZ 2.65Å; E93-K95 WeakPolarHBondContact OE2-CE 3.11Å; E93-K95 IonicContact OE2-NZ 3.88Å; E93-K95 PolarHBondContact OE2-NZ 2.88Å |
| 96 | P | 92 | Very high | 90 | Very high | 51 Ų | 51 | 66 Ų | 66 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | S | Bend | cis | -66.4 | 155.6 | -4.5 | 31.1 | -36.6 | 0 | 0 | 0 | 112 | Y84 M98 | Y84-P96 HydrophobicContact CD1-CG 3.78Å; Y84-P96 HydrophobicContact CE1-CG 3.71Å; P96-M98 HydrophobicContact CG-CG 4.48Å; P96-M98 HydrophobicContact CG-SD 3.75Å; P96-M98 PolarHBondContact O-N 2.86Å |
| 97 | A | 88 | Confident | 88.4 | Confident | 93 Ų | 93 | 65.6 Ų | 65.6 | 77% | 0.769 | 35% | 0.346 | S | S | * | . | trans | -81.1 | 100.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 98 | M | 87 | Confident | 86.4 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 30% | 0.3 | 38% | 0.375 | S | S | . | . | trans | -136.2 | 154.4 | -178.3 | 74.9 | -165.8 | -151.8 | 0 | 0 | 110.2 | Y84 L87 P96 V100 | Y84-M98 HydrophobicContact CD1-SD 4.05Å; Y84-M98 WeakPolarHBondContact O-CE 3.09Å; L87-M98 HydrophobicContact CD1-CE 3.49Å; L87-M98 VanDerWaalsContact CD1-CE 3.49Å; L87-M98 HydrophobicContact CD1-CG 4.44Å; L87-M98 HydrophobicContact CD1-SD 4.05Å; P96-M98 HydrophobicContact CG-CG 4.48Å; P96-M98 HydrophobicContact CG-SD 3.75Å; P96-M98 PolarHBondContact O-N 2.86Å; M98-V100 HydrophobicContact CE-CG2 4.12Å; M98-V100 HydrophobicContact CG-CG2 4.3Å | ||
| 99 | E | 86.7 | Confident | 84.3 | Confident | 137 Ų | 137 | 78.5 Ų | 78.5 | 64% | 0.64 | 40% | 0.402 | S | S | * | . | trans | -76.6 | 131.6 | 171.6 | -174.2 | 177.4 | -130.5 | 0 | 0 | 109.6 | K81 | K81-E99 IonicContact NZ-OE2 3.84Å; K81-E99 PolarHBondContact NZ-OE2 3.12Å | ||
| 100 | V | 89.2 | Confident | 82.2 | Confident | 22 Ų | 22 | 81.1 Ų | 81.1 | 13% | 0.133 | 42% | 0.418 | C | S | . | . | trans | -112.9 | 114.1 | -177.9 | -179.2 | 0 | 0 | 0 | 0 | 108 | P48 Y72 L80 M98 | P48-V100 HydrophobicContact CB-CG1 4.17Å; P48-V100 HydrophobicContact CG-CG1 3.97Å; Y72-V100 HydrophobicContact CD1-CG1 3.65Å; Y72-V100 HydrophobicContact CD2-CG1 3.87Å; Y72-V100 HydrophobicContact CD2-CG2 4.13Å; Y72-V100 HydrophobicContact CE1-CG1 3.8Å; Y72-V100 HydrophobicContact CE2-CB 4.47Å; Y72-V100 HydrophobicContact CE2-CG1 4Å; Y72-V100 HydrophobicContact CE2-CG2 3.72Å; Y72-V100 HydrophobicContact CG-CG1 3.68Å; L80-V100 HydrophobicContact CD1-CG1 3.83Å; M98-V100 HydrophobicContact CE-CG2 4.12Å; M98-V100 HydrophobicContact CG-CG2 4.3Å | ||
| 101 | S | 91.5 | Very high | 80.2 | Confident | 27 Ų | 27 | 82.1 Ų | 82.1 | 19% | 0.189 | 42% | 0.424 | C | S | . | . | trans | -146.4 | 140.9 | 177.1 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | K81 H103 | K81-S101 WeakPolarHBondContact CB-OG 3.38Å; K81-S101 VanDerWaalsContact CD-OG 3.25Å; K81-S101 WeakPolarHBondContact CD-OG 3.4Å; K81-S101 PolarHBondContact N-O 2.79Å; S101-H103 PolarHBondContact OG-NE2 3.43Å | ||
| 102 | C | 93.7 | Very high | 78.3 | Confident | 14 Ų | 14 | 79.4 Ų | 79.4 | 10% | 0.095 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.7 | 174 | -67.7 | 0 | 0 | 0 | 0 | 109.2 | E49 N50 C74 Y78 M79 | E49-C102 WeakPolarHBondContact O-CB 3.45Å; N50-C102 HydrophobicContact CB-CB 4.47Å; C74-C102 WeakPolarHBondContact CA-SG 3.43Å; C74-C102 HydrophobicContact CB-CB 3.71Å; C74-C102 WeakPolarHBondContact CB-SG 3.44Å; C74-C102 VanDerWaalsContact SG-CA 3.6Å; C74-C102 WeakPolarHBondContact SG-CB 3.29Å; C74-C102 CovalentContact SG-SG 2.04Å; C74-C102 PolarHBondContact SG-SG 3.42Å; Y78-C102 HydrophobicContact CD1-CB 4.32Å; M79-C102 CarbonylContact O-C 3.51Å; M79-C102 WeakPolarHBondContact O-CA 3.38Å |
| 103 | H | 91.5 | Very high | 76.4 | Confident | 97 Ų | 97 | 81.8 Ų | 81.8 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 149.8 | 178 | -64.8 | -85.5 | 0 | 0 | 0 | 110 | Y78 M79 S101 N105 | Y78-H103 CarbonylContact C-O 3.51Å; Y78-H103 WeakPolarHBondContact CA-O 3.27Å; Y78-H103 WeakPolarHBondContact CB-O 3.44Å; M79-H103 PolarHBondContact N-O 2.82Å; M79-H103 PolarHBondContact O-N 3.46Å; S101-H103 PolarHBondContact OG-NE2 3.43Å; H103-N105 PolarHBondContact O-N 3.45Å |
| 104 | L | 90.2 | Very high | 74.6 | Confident | 111 Ų | 111 | 81.7 Ų | 81.7 | 58% | 0.581 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 134.8 | 175.4 | -170.2 | 71.3 | 0 | 0 | 0 | 109.6 | Y78 E106 | Y78-L104 HydrophobicContact CD2-CD1 4.37Å; Y78-L104 HydrophobicContact CE1-CB 4.49Å; Y78-L104 HydrophobicContact CE2-CD1 4.07Å; L104-E106 VanDerWaalsContact C-N 3.29Å; L104-E106 PolarHBondContact O-N 3.43Å |
| 105 | N | 82.3 | Confident | 72.7 | Confident | 32 Ų | 32 | 82 Ų | 82 | 17% | 0.171 | 45% | 0.447 | C | S | . | . | trans | -79.8 | 77.6 | 177.8 | -172.7 | -8.6 | 0 | 0 | 0 | 110.1 | G77 M79 H103 D107 K108 | G77-N105 WeakPolarHBondContact O-CB 3.32Å; G77-N105 PolarHBondContact O-N 2.81Å; M79-N105 HydrophobicContact CE-CB 4.11Å; M79-N105 WeakPolarHBondContact CE-OD1 3.46Å; M79-N105 HydrophobicContact CG-CB 3.98Å; M79-N105 HydrophobicContact SD-CB 4.36Å; M79-N105 PolarHBondContact SD-ND2 2.81Å; M79-N105 VanDerWaalsContact SD-ND2 3.36Å; H103-N105 PolarHBondContact O-N 3.45Å; N105-D107 PolarHBondContact O-N 2.72Å; N105-D107 PolarHBondContact OD1-N 3.49Å; N105-K108 PolarHBondContact O-N 2.88Å; N105-K108 PolarHBondContact OD1-N 2.89Å | ||
| 106 | E | 72 | Confident | 71.2 | Confident | 144 Ų | 144 | 82.3 Ų | 82.3 | 67% | 0.673 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.2 | 173.8 | -61.4 | -171.1 | 124.7 | 0 | 0 | 110.6 | L104 K108 E109 T110 | L104-E106 VanDerWaalsContact C-N 3.29Å; L104-E106 PolarHBondContact O-N 3.43Å; E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 PolarHBondContact O-N 2.95Å; E106-E109 CarbonylContact O-C 3.54Å; E106-E109 WeakPolarHBondContact O-CA 3.47Å; E106-E109 PolarHBondContact O-N 3.43Å; E106-T110 PolarHBondContact O-N 2.93Å; E106-T110 PolarHBondContact O-OG1 3.13Å; E106-T110 VanDerWaalsContact O-OG1 3.05Å |
| 107 | D | 60 | Low | 70 | Confident | 79 Ų | 79 | 83 Ų | 83 | 42% | 0.422 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.1 | -16.9 | -178.3 | -63.4 | -41.1 | 0 | 0 | 0 | 115.7 | N105 E109 T110 H111 | N105-D107 PolarHBondContact O-N 2.72Å; N105-D107 PolarHBondContact OD1-N 3.49Å; D107-E109 PolarHBondContact O-N 3.29Å; D107-T110 WeakPolarHBondContact CA-OG1 3.33Å; D107-T110 PolarHBondContact O-N 3.32Å; D107-T110 WeakPolarHBondContact OD1-CB 3.1Å; D107-T110 PolarHBondContact OD1-OG1 3.46Å; D107-T110 VanDerWaalsContact OD1-OG1 3.06Å; D107-H111 WeakPolarHBondContact O-CB 3.28Å; D107-H111 PolarHBondContact O-CD2 3.23Å; D107-H111 VanDerWaalsContact O-CD2 3.29Å; D107-H111 PolarHBondContact O-N 3.38Å |
| 108 | K | 52.8 | Low | 69.2 | Low | 148 Ų | 148 | 81.3 Ų | 81.3 | 64% | 0.643 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -69 | -25 | 167.1 | -122.2 | -172.7 | 179.9 | -172.5 | 0 | 112.3 | N105 E106 | N105-K108 PolarHBondContact O-N 2.88Å; N105-K108 PolarHBondContact OD1-N 2.89Å; E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 PolarHBondContact O-N 2.95Å |
| 109 | E | 48.6 | Very low | 68.3 | Low | 160 Ų | 160 | 84.4 Ų | 84.4 | 75% | 0.748 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -92.4 | -37.3 | 165.2 | -58.6 | -155.2 | 153.1 | 0 | 0 | 111.5 | E106 D107 H111 A112 S113 | E106-E109 CarbonylContact O-C 3.54Å; E106-E109 WeakPolarHBondContact O-CA 3.47Å; E106-E109 PolarHBondContact O-N 3.43Å; D107-E109 PolarHBondContact O-N 3.29Å; E109-H111 PolarHBondContact O-N 3.16Å; E109-A112 PolarHBondContact O-N 3.35Å; E109-S113 WeakPolarHBondContact O-CB 3.01Å; E109-S113 PolarHBondContact O-N 3.37Å |
| 110 | T | 50.9 | Low | 68 | Low | 56 Ų | 56 | 81.2 Ų | 81.2 | 34% | 0.344 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | -180 | -35.9 | 0 | 0 | 0 | 0 | 112.9 | E106 D107 S113 L114 | E106-T110 PolarHBondContact O-N 2.93Å; E106-T110 PolarHBondContact O-OG1 3.13Å; E106-T110 VanDerWaalsContact O-OG1 3.05Å; D107-T110 WeakPolarHBondContact CA-OG1 3.33Å; D107-T110 PolarHBondContact O-N 3.32Å; D107-T110 WeakPolarHBondContact OD1-CB 3.1Å; D107-T110 PolarHBondContact OD1-OG1 3.46Å; D107-T110 VanDerWaalsContact OD1-OG1 3.06Å; T110-S113 CarbonylContact O-C 3.55Å; T110-S113 WeakPolarHBondContact O-CB 3.23Å; T110-S113 PolarHBondContact O-N 3.25Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 WeakPolarHBondContact O-CG 2.8Å; T110-L114 PolarHBondContact O-N 2.85Å |
| 111 | H | 49.7 | Very low | 67.6 | Low | 137 Ų | 137 | 85.4 Ų | 85.4 | 63% | 0.634 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -74.1 | -27.4 | 178.1 | -77.7 | -64.9 | 0 | 0 | 0 | 113.9 | D107 E109 | D107-H111 WeakPolarHBondContact O-CB 3.28Å; D107-H111 PolarHBondContact O-CD2 3.23Å; D107-H111 VanDerWaalsContact O-CD2 3.29Å; D107-H111 PolarHBondContact O-N 3.38Å; E109-H111 PolarHBondContact O-N 3.16Å |
| 112 | A | 49.8 | Very low | 67.3 | Low | 72 Ų | 72 | 88.5 Ų | 88.5 | 60% | 0.595 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.1 | -43.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E109 L114 G115 | E109-A112 PolarHBondContact O-N 3.35Å; A112-L114 VanDerWaalsContact C-N 3.3Å; A112-L114 PolarHBondContact O-N 2.76Å; A112-G115 PolarHBondContact O-N 3.06Å; A112-G115 VanDerWaalsContact O-N 3.16Å |
| 113 | S | 50.4 | Low | 67 | Low | 65 Ų | 65 | 90.7 Ų | 90.7 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -28.3 | 179.5 | -164.6 | 0 | 0 | 0 | 0 | 112.9 | E109 T110 G115 V116 P117 | E109-S113 WeakPolarHBondContact O-CB 3.01Å; E109-S113 PolarHBondContact O-N 3.37Å; T110-S113 CarbonylContact O-C 3.55Å; T110-S113 WeakPolarHBondContact O-CB 3.23Å; T110-S113 PolarHBondContact O-N 3.25Å; S113-G115 PolarHBondContact O-N 2.89Å; S113-V116 WeakPolarHBondContact O-CA 3.49Å; S113-V116 VanDerWaalsContact O-CB 3.28Å; S113-V116 WeakPolarHBondContact O-CB 3.36Å; S113-V116 PolarHBondContact O-N 3.41Å; S113-P117 WeakPolarHBondContact O-CD 3.16Å |
| 114 | L | 54.2 | Low | 66.9 | Low | 108 Ų | 108 | 89.8 Ų | 89.8 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25 | 175 | -84.9 | 163.3 | 0 | 0 | 0 | 113.1 | T110 A112 P117 | T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 WeakPolarHBondContact O-CG 2.8Å; T110-L114 PolarHBondContact O-N 2.85Å; A112-L114 VanDerWaalsContact C-N 3.3Å; A112-L114 PolarHBondContact O-N 2.76Å; L114-P117 WeakPolarHBondContact O-CD 3.37Å |
| 115 | G | 54 | Low | 67 | Low | 32 Ų | 32 | 88 Ų | 88 | 33% | 0.33 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -77.3 | -24.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A112 S113 A118 L119 | A112-G115 PolarHBondContact O-N 3.06Å; A112-G115 VanDerWaalsContact O-N 3.16Å; S113-G115 PolarHBondContact O-N 2.89Å; G115-A118 PolarHBondContact O-N 2.74Å; G115-L119 WeakPolarHBondContact O-CB 3.33Å; G115-L119 WeakPolarHBondContact O-CG 3.2Å; G115-L119 PolarHBondContact O-N 3.41Å |
| 116 | V | 60.5 | Low | 67.5 | Low | 82 Ų | 82 | 89.3 Ų | 89.3 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | -175.3 | 179.7 | 0 | 0 | 0 | 0 | 114.2 | S113 A118 S120 | S113-V116 WeakPolarHBondContact O-CA 3.49Å; S113-V116 VanDerWaalsContact O-CB 3.28Å; S113-V116 WeakPolarHBondContact O-CB 3.36Å; S113-V116 PolarHBondContact O-N 3.41Å; V116-A118 VanDerWaalsContact C-N 3.34Å; V116-A118 PolarHBondContact O-N 3.29Å; V116-S120 WeakPolarHBondContact O-CA 3.22Å; V116-S120 WeakPolarHBondContact O-CB 3.39Å; V116-S120 PolarHBondContact O-N 2.79Å |
| 117 | P | 67.5 | Low | 68.6 | Low | 67 Ų | 67 | 85.4 Ų | 85.4 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 175.6 | 27.9 | -34.5 | 0 | 0 | 0 | 110.8 | S113 L114 S120 I121 | S113-P117 WeakPolarHBondContact O-CD 3.16Å; L114-P117 WeakPolarHBondContact O-CD 3.37Å; P117-S120 PolarHBondContact O-N 3.43Å; P117-I121 VanDerWaalsContact O-CB 3.23Å; P117-I121 WeakPolarHBondContact O-CB 3.48Å; P117-I121 WeakPolarHBondContact O-CD1 3.41Å; P117-I121 WeakPolarHBondContact O-CG1 3.18Å; P117-I121 PolarHBondContact O-N 2.99Å |
| 118 | A | 70.6 | Confident | 70.3 | Confident | 56 Ų | 56 | 84.2 Ų | 84.2 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -51.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G115 V116 S120 I121 V122 | G115-A118 PolarHBondContact O-N 2.74Å; V116-A118 VanDerWaalsContact C-N 3.34Å; V116-A118 PolarHBondContact O-N 3.29Å; A118-S120 PolarHBondContact O-N 2.97Å; A118-I121 PolarHBondContact O-N 3.23Å; A118-V122 WeakPolarHBondContact O-CB 3.49Å; A118-V122 VanDerWaalsContact O-CG2 3.29Å; A118-V122 WeakPolarHBondContact O-CG2 3.5Å; A118-V122 PolarHBondContact O-N 3.22Å |
| 119 | L | 69.4 | Low | 72.3 | Confident | 126 Ų | 126 | 81.1 Ų | 81.1 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -35.3 | 177.6 | -69.4 | 173.6 | 0 | 0 | 0 | 112.8 | G115 A123 | G115-L119 WeakPolarHBondContact O-CB 3.33Å; G115-L119 WeakPolarHBondContact O-CG 3.2Å; G115-L119 PolarHBondContact O-N 3.41Å; L119-A123 WeakPolarHBondContact O-CB 3.44Å; L119-A123 PolarHBondContact O-N 2.8Å |
| 120 | S | 80 | Confident | 74.6 | Confident | 71 Ų | 71 | 76.2 Ų | 76.2 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.5 | -41.1 | 176.9 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | V116 P117 A118 A123 S124 | V116-S120 WeakPolarHBondContact O-CA 3.22Å; V116-S120 WeakPolarHBondContact O-CB 3.39Å; V116-S120 PolarHBondContact O-N 2.79Å; P117-S120 PolarHBondContact O-N 3.43Å; A118-S120 PolarHBondContact O-N 2.97Å; S120-A123 PolarHBondContact O-N 3.19Å; S120-S124 WeakPolarHBondContact O-CB 3.02Å; S120-S124 PolarHBondContact O-N 3.36Å |
| 121 | I | 80.4 | Confident | 76.7 | Confident | 110 Ų | 110 | 78.1 Ų | 78.1 | 56% | 0.564 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.6 | -44.6 | 173.6 | -70 | 163.3 | 0 | 0 | 0 | 110.1 | P117 A118 S124 T125 | P117-I121 VanDerWaalsContact O-CB 3.23Å; P117-I121 WeakPolarHBondContact O-CB 3.48Å; P117-I121 WeakPolarHBondContact O-CD1 3.41Å; P117-I121 WeakPolarHBondContact O-CG1 3.18Å; P117-I121 PolarHBondContact O-N 2.99Å; A118-I121 PolarHBondContact O-N 3.23Å; I121-S124 PolarHBondContact O-N 3.24Å; I121-T125 WeakPolarHBondContact O-CB 3.38Å; I121-T125 WeakPolarHBondContact O-CG2 3.39Å; I121-T125 PolarHBondContact O-N 3.22Å; I121-T125 PolarHBondContact O-OG1 3.05Å |
| 122 | V | 84.4 | Confident | 78.9 | Confident | 91 Ų | 91 | 76.5 Ų | 76.5 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 175.5 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | A118 T125 A126 | A118-V122 WeakPolarHBondContact O-CB 3.49Å; A118-V122 VanDerWaalsContact O-CG2 3.29Å; A118-V122 WeakPolarHBondContact O-CG2 3.5Å; A118-V122 PolarHBondContact O-N 3.22Å; V122-T125 WeakPolarHBondContact CA-OG1 3.18Å; V122-T125 PolarHBondContact O-OG1 2.79Å; V122-T125 VanDerWaalsContact O-OG1 3.12Å; V122-A126 WeakPolarHBondContact O-CB 3.44Å; V122-A126 PolarHBondContact O-N 3.06Å |
| 123 | A | 87.3 | Confident | 81.1 | Confident | 61 Ų | 61 | 78.1 Ų | 78.1 | 50% | 0.504 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L119 S120 S127 | L119-A123 WeakPolarHBondContact O-CB 3.44Å; L119-A123 PolarHBondContact O-N 2.8Å; S120-A123 PolarHBondContact O-N 3.19Å; A123-S127 WeakPolarHBondContact O-CB 3.03Å; A123-S127 PolarHBondContact O-N 3.41Å |
| 124 | S | 89.8 | Confident | 83.2 | Confident | 78 Ų | 78 | 80.3 Ų | 80.3 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 177.9 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | S120 I121 S127 S128 | S120-S124 WeakPolarHBondContact O-CB 3.02Å; S120-S124 PolarHBondContact O-N 3.36Å; I121-S124 PolarHBondContact O-N 3.24Å; S124-S127 PolarHBondContact O-N 3.09Å; S124-S128 WeakPolarHBondContact O-CB 3.45Å; S124-S128 PolarHBondContact O-N 2.84Å; S124-S128 PolarHBondContact O-OG 2.92Å |
| 125 | T | 92.1 | Very high | 85.1 | Confident | 73 Ų | 73 | 79.5 Ų | 79.5 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.6 | -41.1 | 176 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | I121 V122 S127 S128 V129 | I121-T125 WeakPolarHBondContact O-CB 3.38Å; I121-T125 WeakPolarHBondContact O-CG2 3.39Å; I121-T125 PolarHBondContact O-N 3.22Å; I121-T125 PolarHBondContact O-OG1 3.05Å; V122-T125 WeakPolarHBondContact CA-OG1 3.18Å; V122-T125 PolarHBondContact O-OG1 2.79Å; V122-T125 VanDerWaalsContact O-OG1 3.12Å; T125-S127 VanDerWaalsContact C-N 3.34Å; T125-S127 PolarHBondContact O-N 3.27Å; T125-S128 PolarHBondContact O-N 2.85Å; T125-S128 PolarHBondContact O-OG 2.04Å; T125-S128 VanDerWaalsContact O-OG 3.05Å; T125-V129 WeakPolarHBondContact O-CG2 3.36Å; T125-V129 PolarHBondContact O-N 3.4Å |
| 126 | A | 93 | Very high | 87 | Confident | 59 Ų | 59 | 81.8 Ų | 81.8 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V122 A130 | V122-A126 WeakPolarHBondContact O-CB 3.44Å; V122-A126 PolarHBondContact O-N 3.06Å; A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.22Å; A126-A130 PolarHBondContact O-N 2.87Å |
| 127 | S | 95 | Very high | 88.5 | Confident | 63 Ų | 63 | 81.8 Ų | 81.8 | 44% | 0.441 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 176 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | A123 S124 T125 A130 L131 | A123-S127 WeakPolarHBondContact O-CB 3.03Å; A123-S127 PolarHBondContact O-N 3.41Å; S124-S127 PolarHBondContact O-N 3.09Å; T125-S127 VanDerWaalsContact C-N 3.34Å; T125-S127 PolarHBondContact O-N 3.27Å; S127-A130 PolarHBondContact O-N 2.8Å; S127-L131 WeakPolarHBondContact O-CB 3.47Å; S127-L131 VanDerWaalsContact O-CG 3.31Å; S127-L131 WeakPolarHBondContact O-CG 3.18Å; S127-L131 PolarHBondContact O-N 3.23Å |
| 128 | S | 95.2 | Very high | 89.6 | Confident | 54 Ų | 54 | 82.7 Ų | 82.7 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 178.7 | 72.3 | 0 | 0 | 0 | 0 | 112.1 | S124 T125 L131 I132 | S124-S128 WeakPolarHBondContact O-CB 3.45Å; S124-S128 PolarHBondContact O-N 2.84Å; S124-S128 PolarHBondContact O-OG 2.92Å; T125-S128 PolarHBondContact O-N 2.85Å; T125-S128 PolarHBondContact O-OG 2.04Å; T125-S128 VanDerWaalsContact O-OG 3.05Å; S128-L131 PolarHBondContact O-N 2.72Å; S128-I132 WeakPolarHBondContact O-CB 3.46Å; S128-I132 WeakPolarHBondContact O-CD1 3.25Å; S128-I132 WeakPolarHBondContact O-CG1 3.36Å; S128-I132 PolarHBondContact O-N 2.65Å |
| 129 | V | 96.4 | Very high | 90.5 | Very high | 82 Ų | 82 | 85.9 Ų | 85.9 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 172.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | T125 L131 I132 L133 | T125-V129 WeakPolarHBondContact O-CG2 3.36Å; T125-V129 PolarHBondContact O-N 3.4Å; V129-L131 PolarHBondContact O-N 3.41Å; V129-I132 PolarHBondContact O-N 3.3Å; V129-L133 HydrophobicContact CG1-CD1 4Å; V129-L133 HydrophobicContact CG1-CG 4.37Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 WeakPolarHBondContact O-CG 3.34Å; V129-L133 PolarHBondContact O-N 2.81Å |
| 130 | A | 95.5 | Very high | 91.4 | Very high | 58 Ų | 58 | 84.5 Ų | 84.5 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A126 S127 L133 L134 | A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.22Å; A126-A130 PolarHBondContact O-N 2.87Å; S127-A130 PolarHBondContact O-N 2.8Å; A130-L133 PolarHBondContact O-N 2.89Å; A130-L134 VanDerWaalsContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 PolarHBondContact O-N 2.95Å |
| 131 | L | 95.8 | Very high | 91.7 | Very high | 96 Ų | 96 | 86.7 Ų | 86.7 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 175.2 | -73.1 | 171.9 | 0 | 0 | 0 | 112.3 | S127 S128 V129 L134 L135 | S127-L131 WeakPolarHBondContact O-CB 3.47Å; S127-L131 VanDerWaalsContact O-CG 3.31Å; S127-L131 WeakPolarHBondContact O-CG 3.18Å; S127-L131 PolarHBondContact O-N 3.23Å; S128-L131 PolarHBondContact O-N 2.72Å; V129-L131 PolarHBondContact O-N 3.41Å; L131-L134 PolarHBondContact O-N 2.04Å; L131-L135 WeakPolarHBondContact O-CB 3.21Å; L131-L135 VanDerWaalsContact O-CG 3.29Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.87Å |
| 132 | I | 95.6 | Very high | 91.6 | Very high | 102 Ų | 102 | 84.4 Ų | 84.4 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 174.5 | -70.8 | 163.3 | 0 | 0 | 0 | 110.3 | S128 V129 L135 V136 | S128-I132 WeakPolarHBondContact O-CB 3.46Å; S128-I132 WeakPolarHBondContact O-CD1 3.25Å; S128-I132 WeakPolarHBondContact O-CG1 3.36Å; S128-I132 PolarHBondContact O-N 2.65Å; V129-I132 PolarHBondContact O-N 3.3Å; I132-L135 PolarHBondContact O-N 3.21Å; I132-V136 WeakPolarHBondContact O-CG2 3.23Å; I132-V136 PolarHBondContact O-N 2.88Å |
| 133 | L | 95.4 | Very high | 90.9 | Very high | 107 Ų | 107 | 84.1 Ų | 84.1 | 56% | 0.56 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 176.6 | -71.5 | 176.2 | 0 | 0 | 0 | 112 | V129 A130 L135 V136 V137 | V129-L133 HydrophobicContact CG1-CD1 4Å; V129-L133 HydrophobicContact CG1-CG 4.37Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 WeakPolarHBondContact O-CG 3.34Å; V129-L133 PolarHBondContact O-N 2.81Å; A130-L133 PolarHBondContact O-N 2.89Å; L133-L135 PolarHBondContact O-N 2.85Å; L133-V136 PolarHBondContact O-N 3.01Å; L133-V137 WeakPolarHBondContact O-CB 3.02Å; L133-V137 WeakPolarHBondContact O-CG2 3.47Å; L133-V137 PolarHBondContact O-N 2.92Å |
| 134 | L | 95.1 | Very high | 89.7 | Confident | 110 Ų | 110 | 85.3 Ų | 85.3 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 175.3 | -179.9 | 64 | 0 | 0 | 0 | 111.6 | A130 L131 V137 L138 | A130-L134 VanDerWaalsContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 PolarHBondContact O-N 2.95Å; L131-L134 PolarHBondContact O-N 2.04Å; L134-V137 PolarHBondContact O-N 2.88Å; L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 PolarHBondContact O-N 2.63Å |
| 135 | L | 93.4 | Very high | 88.4 | Confident | 92 Ų | 92 | 88.1 Ų | 88.1 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 175.2 | -74.8 | 172.3 | 0 | 0 | 0 | 111.7 | L131 I132 L133 L138 F139 | L131-L135 WeakPolarHBondContact O-CB 3.21Å; L131-L135 VanDerWaalsContact O-CG 3.29Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.87Å; I132-L135 PolarHBondContact O-N 3.21Å; L133-L135 PolarHBondContact O-N 2.85Å; L135-L138 PolarHBondContact O-N 3.23Å; L135-F139 WeakPolarHBondContact O-CB 3.19Å; L135-F139 WeakPolarHBondContact O-CD2 3.38Å; L135-F139 PolarHBondContact O-N 3.08Å |
| 136 | V | 94.4 | Very high | 86.9 | Confident | 79 Ų | 79 | 88.6 Ų | 88.6 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 176 | 168.4 | 0 | 0 | 0 | 0 | 111 | I132 L133 F139 V140 | I132-V136 WeakPolarHBondContact O-CG2 3.23Å; I132-V136 PolarHBondContact O-N 2.88Å; L133-V136 PolarHBondContact O-N 3.01Å; V136-F139 PolarHBondContact O-N 2.69Å; V136-V140 HydrophobicContact CG1-CG2 4.46Å; V136-V140 WeakPolarHBondContact O-CB 3.38Å; V136-V140 VanDerWaalsContact O-CG2 3.3Å; V136-V140 WeakPolarHBondContact O-CG2 3.04Å; V136-V140 PolarHBondContact O-N 2.95Å |
| 137 | V | 93.1 | Very high | 85.3 | Confident | 82 Ų | 82 | 92.5 Ų | 92.5 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 175.4 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | L133 L134 F139 V140 L141 | L133-V137 WeakPolarHBondContact O-CB 3.02Å; L133-V137 WeakPolarHBondContact O-CG2 3.47Å; L133-V137 PolarHBondContact O-N 2.92Å; L134-V137 PolarHBondContact O-N 2.88Å; V137-F139 VanDerWaalsContact C-N 3.35Å; V137-F139 PolarHBondContact O-N 3.44Å; V137-V140 PolarHBondContact O-N 3.25Å; V137-L141 HydrophobicContact CG1-CD1 3.79Å; V137-L141 HydrophobicContact CG1-CG 4.31Å; V137-L141 WeakPolarHBondContact O-CB 2.99Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.26Å; V137-L141 PolarHBondContact O-N 2.82Å |
| 138 | L | 90.4 | Very high | 83.5 | Confident | 86 Ų | 86 | 93.2 Ų | 93.2 | 45% | 0.45 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 176.3 | -179.6 | 62.1 | 0 | 0 | 0 | 111.2 | L134 L135 L141 L142 | L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 PolarHBondContact O-N 2.63Å; L135-L138 PolarHBondContact O-N 3.23Å; L138-L141 PolarHBondContact O-N 3.32Å; L138-L142 HydrophobicContact CD1-CD1 3.83Å; L138-L142 HydrophobicContact CD1-CG 3.98Å; L138-L142 HydrophobicContact CG-CD1 3.81Å; L138-L142 HydrophobicContact CG-CG 4.32Å; L138-L142 WeakPolarHBondContact O-CB 3.46Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 2.81Å |
| 139 | F | 88.3 | Confident | 81.6 | Confident | 124 Ų | 124 | 96.1 Ų | 96.1 | 54% | 0.544 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 173.9 | -83.9 | -61.7 | 0 | 0 | 0 | 111.9 | L135 V136 V137 L141 L142 Q143 | L135-F139 WeakPolarHBondContact O-CB 3.19Å; L135-F139 WeakPolarHBondContact O-CD2 3.38Å; L135-F139 PolarHBondContact O-N 3.08Å; V136-F139 PolarHBondContact O-N 2.69Å; V137-F139 VanDerWaalsContact C-N 3.35Å; V137-F139 PolarHBondContact O-N 3.44Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.83Å; F139-L142 CarbonylContact O-C 3.56Å; F139-L142 PolarHBondContact O-N 3.41Å; F139-Q143 VanDerWaalsContact O-CB 3.31Å; F139-Q143 WeakPolarHBondContact O-CB 3.47Å; F139-Q143 WeakPolarHBondContact O-CG 3.46Å; F139-Q143 PolarHBondContact O-N 2.02Å |
| 140 | V | 89.3 | Confident | 79.5 | Confident | 96 Ų | 96 | 99.1 Ų | 99.1 | 58% | 0.582 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -36.2 | 178.8 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | V136 V137 P144 | V136-V140 HydrophobicContact CG1-CG2 4.46Å; V136-V140 WeakPolarHBondContact O-CB 3.38Å; V136-V140 VanDerWaalsContact O-CG2 3.3Å; V136-V140 WeakPolarHBondContact O-CG2 3.04Å; V136-V140 PolarHBondContact O-N 2.95Å; V137-V140 PolarHBondContact O-N 3.25Å; V140-P144 WeakPolarHBondContact O-CD 2.98Å |
| 141 | L | 85.4 | Confident | 77.4 | Confident | 117 Ų | 117 | 103.3 Ų | 103.3 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -77.1 | -33.7 | 174.8 | -66.3 | 174.8 | 0 | 0 | 0 | 112.8 | V137 L138 F139 | V137-L141 HydrophobicContact CG1-CD1 3.79Å; V137-L141 HydrophobicContact CG1-CG 4.31Å; V137-L141 WeakPolarHBondContact O-CB 2.99Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.26Å; V137-L141 PolarHBondContact O-N 2.82Å; L138-L141 PolarHBondContact O-N 3.32Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.83Å |
| 142 | L | 79 | Confident | 75.3 | Confident | 63 Ų | 63 | 101.4 Ų | 101.4 | 33% | 0.33 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75.8 | -25.9 | 173.4 | -75 | 177.5 | 0 | 0 | 0 | 112.5 | L138 F139 K145 L146 | L138-L142 HydrophobicContact CD1-CD1 3.83Å; L138-L142 HydrophobicContact CD1-CG 3.98Å; L138-L142 HydrophobicContact CG-CD1 3.81Å; L138-L142 HydrophobicContact CG-CG 4.32Å; L138-L142 WeakPolarHBondContact O-CB 3.46Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 2.81Å; F139-L142 CarbonylContact O-C 3.56Å; F139-L142 PolarHBondContact O-N 3.41Å; L142-K145 CarbonylContact O-C 3.47Å; L142-K145 PolarHBondContact O-N 2.89Å; L142-K145 VanDerWaalsContact O-N 3.11Å; L142-L146 HydrophobicContact CB-CD1 3.88Å; L142-L146 HydrophobicContact CB-CG 4.16Å; L142-L146 HydrophobicContact CD1-CD1 4.45Å; L142-L146 VanDerWaalsContact O-CB 3.24Å; L142-L146 WeakPolarHBondContact O-CB 3.22Å; L142-L146 WeakPolarHBondContact O-CG 3.02Å; L142-L146 PolarHBondContact O-N 3.29Å |
| 143 | Q | 69.5 | Low | 73.1 | Confident | 84 Ų | 84 | 106.5 Ų | 106.5 | 39% | 0.393 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | -177.8 | -84.5 | -79.7 | -32.9 | 0 | 0 | 112.7 | F139 K147 | F139-Q143 VanDerWaalsContact O-CB 3.31Å; F139-Q143 WeakPolarHBondContact O-CB 3.47Å; F139-Q143 WeakPolarHBondContact O-CG 3.46Å; F139-Q143 PolarHBondContact O-N 2.02Å; Q143-K147 VanDerWaalsContact O-CB 3.22Å; Q143-K147 WeakPolarHBondContact O-CB 3.21Å; Q143-K147 VanDerWaalsContact O-CG 3.3Å; Q143-K147 WeakPolarHBondContact O-CG 3.49Å; Q143-K147 PolarHBondContact O-N 3.35Å |
| 144 | P | 63.2 | Low | 70.7 | Confident | 86 Ų | 86 | 110.8 Ų | 110.8 | 56% | 0.558 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.9 | -46.9 | 168.9 | -27 | 34.7 | 0 | 0 | 0 | 113.3 | V140 S148 | V140-P144 WeakPolarHBondContact O-CD 2.98Å; P144-S148 WeakPolarHBondContact O-CB 2.98Å; P144-S148 PolarHBondContact O-N 2.85Å |
| 145 | K | 61.5 | Low | 68.4 | Low | 137 Ų | 137 | 112.2 Ų | 112.2 | 60% | 0.596 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.6 | -44.5 | -179.2 | -66.5 | -69.4 | -174.5 | 176.6 | 0 | 112.1 | L142 S148 F149 | L142-K145 CarbonylContact O-C 3.47Å; L142-K145 PolarHBondContact O-N 2.89Å; L142-K145 VanDerWaalsContact O-N 3.11Å; K145-S148 WeakPolarHBondContact O-CB 3.41Å; K145-S148 PolarHBondContact O-N 2.83Å; K145-F149 WeakPolarHBondContact O-CD2 3.36Å; K145-F149 PolarHBondContact O-N 2.89Å |
| 146 | L | 59.9 | Low | 66.2 | Low | 84 Ų | 84 | 115.9 Ų | 115.9 | 44% | 0.44 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -78.1 | -26.8 | -177.6 | -67 | 178.8 | 0 | 0 | 0 | 112.6 | L142 F149 H150 | L142-L146 HydrophobicContact CB-CD1 3.88Å; L142-L146 HydrophobicContact CB-CG 4.16Å; L142-L146 HydrophobicContact CD1-CD1 4.45Å; L142-L146 VanDerWaalsContact O-CB 3.24Å; L142-L146 WeakPolarHBondContact O-CB 3.22Å; L142-L146 WeakPolarHBondContact O-CG 3.02Å; L142-L146 PolarHBondContact O-N 3.29Å; L146-F149 HydrophobicContact CD2-CD2 4.4Å; L146-F149 CarbonylContact O-C 3.47Å; L146-H150 WeakPolarHBondContact O-CB 3.48Å; L146-H150 PolarHBondContact O-N 3.49Å |
| 147 | K | 59.2 | Low | 63.6 | Low | 140 Ų | 140 | 115.2 Ų | 115.2 | 61% | 0.609 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.8 | -39.4 | 167.2 | -76.7 | 168.8 | 169.7 | 153.5 | 0 | 111.5 | Q143 H150 H151 | Q143-K147 VanDerWaalsContact O-CB 3.22Å; Q143-K147 WeakPolarHBondContact O-CB 3.21Å; Q143-K147 VanDerWaalsContact O-CG 3.3Å; Q143-K147 WeakPolarHBondContact O-CG 3.49Å; Q143-K147 PolarHBondContact O-N 3.35Å; K147-H150 PolarHBondContact O-N 3.37Å; K147-H150 VanDerWaalsContact O-N 3.09Å; K147-H151 PolarHBondContact O-N 2.83Å |
| 148 | S | 57.8 | Low | 61.2 | Low | 78 Ų | 78 | 116 Ų | 116 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.2 | -46.7 | 167.4 | 171 | 0 | 0 | 0 | 0 | 111.4 | P144 K145 H150 H151 S152 | P144-S148 WeakPolarHBondContact O-CB 2.98Å; P144-S148 PolarHBondContact O-N 2.85Å; K145-S148 WeakPolarHBondContact O-CB 3.41Å; K145-S148 PolarHBondContact O-N 2.83Å; S148-H150 VanDerWaalsContact C-N 3.31Å; S148-H150 PolarHBondContact O-N 2.85Å; S148-H151 PolarHBondContact O-N 3.39Å; S148-S152 PolarHBondContact O-N 3.32Å |
| 149 | F | 54.8 | Low | 59.1 | Low | 115 Ų | 115 | 118.2 Ų | 118.2 | 50% | 0.504 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68 | -22.7 | 172.2 | -73.1 | -60.2 | 0 | 0 | 0 | 113.9 | K145 L146 H151 R153 | K145-F149 WeakPolarHBondContact O-CD2 3.36Å; K145-F149 PolarHBondContact O-N 2.89Å; L146-F149 HydrophobicContact CD2-CD2 4.4Å; L146-F149 CarbonylContact O-C 3.47Å; F149-H151 VanDerWaalsContact C-N 3.26Å; F149-H151 PolarHBondContact O-N 3.41Å; F149-R153 WeakPolarHBondContact O-CA 3.24Å; F149-R153 WeakPolarHBondContact O-CB 3.33Å; F149-R153 PolarHBondContact O-N 3.24Å |
| 150 | H | 52.8 | Low | 57.2 | Low | 145 Ų | 145 | 115.2 Ų | 115.2 | 67% | 0.671 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.5 | -17.5 | 175.8 | -140.8 | -56.6 | 0 | 0 | 0 | 112.9 | L146 K147 S148 | L146-H150 WeakPolarHBondContact O-CB 3.48Å; L146-H150 PolarHBondContact O-N 3.49Å; K147-H150 PolarHBondContact O-N 3.37Å; K147-H150 VanDerWaalsContact O-N 3.09Å; S148-H150 VanDerWaalsContact C-N 3.31Å; S148-H150 PolarHBondContact O-N 2.85Å |
| 151 | H | 50.9 | Low | 55.2 | Low | 146 Ų | 146 | 117.2 Ų | 117.2 | 68% | 0.676 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -81.1 | -59.2 | 163.8 | -159.2 | 20.6 | 0 | 0 | 0 | 109.5 | K147 S148 F149 R153 R154 | K147-H151 PolarHBondContact O-N 2.83Å; S148-H151 PolarHBondContact O-N 3.39Å; F149-H151 VanDerWaalsContact C-N 3.26Å; F149-H151 PolarHBondContact O-N 3.41Å; H151-R153 VanDerWaalsContact C-N 3.32Å; H151-R153 PolarHBondContact O-N 2.63Å; H151-R154 PolarHBondContact O-N 3.05Å; H151-R154 VanDerWaalsContact O-N 3.08Å |
| 152 | S | 52.4 | Low | 53.7 | Low | 56 Ų | 56 | 117.9 Ų | 117.9 | 39% | 0.392 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -58.2 | -33.8 | -177.4 | 148.4 | 0 | 0 | 0 | 0 | 114.9 | S148 Q156 | S148-S152 PolarHBondContact O-N 3.32Å; S152-Q156 PolarHBondContact O-N 3.36Å |
| 153 | R | 48.7 | Very low | 52.7 | Low | 209 Ų | 209 | 120.4 Ų | 120.4 | 79% | 0.789 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -87.3 | -4.2 | -178.4 | -156.7 | -179.2 | -165.3 | -168.6 | 5.6 | 113.4 | F149 H151 | F149-R153 WeakPolarHBondContact O-CA 3.24Å; F149-R153 WeakPolarHBondContact O-CB 3.33Å; F149-R153 PolarHBondContact O-N 3.24Å; H151-R153 VanDerWaalsContact C-N 3.32Å; H151-R153 PolarHBondContact O-N 2.63Å |
| 154 | R | 46.8 | Very low | 52.1 | Low | 198 Ų | 198 | 118.5 Ų | 118.5 | 75% | 0.747 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -84.5 | -35.3 | 167.6 | -160.3 | 169.1 | -171.6 | 155.2 | 2.1 | 111 | H151 | H151-R154 PolarHBondContact O-N 3.05Å; H151-R154 VanDerWaalsContact O-N 3.08Å |
| 155 | E | 46.2 | Very low | 52.1 | Low | 139 Ų | 139 | 118.6 Ų | 118.6 | 65% | 0.65 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.7 | -39 | 174.2 | -52.4 | -55.6 | 103.4 | 0 | 0 | 112.5 | G157 | E155-G157 PolarHBondContact O-N 3.02Å |
| 156 | Q | 47.1 | Very low | 52.4 | Low | 170 Ų | 170 | 118.4 Ų | 118.4 | 79% | 0.794 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 19.8 | -172.2 | -148.3 | 76.1 | 60.8 | 0 | 0 | 115.1 | S152 | S152-Q156 PolarHBondContact O-N 3.36Š|
| 157 | G | 39 | Very low | 52.6 | Low | 64 Ų | 64 | 118.4 Ų | 118.4 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.6 | -14.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | E155 | E155-G157 PolarHBondContact O-N 3.02Š|
| 158 | V | 43.6 | Very low | 53.1 | Low | 100 Ų | 100 | 120 Ų | 120 | 61% | 0.606 | 64% | 0.643 | S | S | * | * | trans | -128.7 | 116.8 | 178.7 | 173.4 | 0 | 0 | 0 | 0 | 109.6 | G160 D161 | V158-G160 PolarHBondContact O-N 3.4Å; V158-G160 VanDerWaalsContact O-N 3.11Å; V158-D161 HydrophobicContact CG1-CB 3.63Å | ||
| 159 | S | 45.1 | Very low | 53.6 | Low | 132 Ų | 132 | 119.5 Ų | 119.5 | 92% | 0.923 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -78.4 | 90.8 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 160 | G | 48.9 | Very low | 54.4 | Low | 61 Ų | 61 | 118.5 Ų | 118.5 | 63% | 0.629 | 65% | 0.652 | S | S | * | * | trans | 81.7 | 29.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | V158 Q162 | V158-G160 PolarHBondContact O-N 3.4Å; V158-G160 VanDerWaalsContact O-N 3.11Å; G160-Q162 VanDerWaalsContact C-N 3.34Å; G160-Q162 PolarHBondContact O-N 3.46Å; G160-Q162 VanDerWaalsContact O-N 3.12Å | ||
| 161 | D | 47.8 | Very low | 54.6 | Low | 137 Ų | 137 | 117.8 Ų | 117.8 | 73% | 0.733 | 65% | 0.649 | S | S | * | * | trans | -79.1 | 86.8 | 164.3 | -161 | 40 | 0 | 0 | 0 | 108.7 | V158 | V158-D161 HydrophobicContact CG1-CB 3.63Š| ||
| 162 | Q | 53.5 | Low | 55.4 | Low | 131 Ų | 131 | 114.2 Ų | 114.2 | 61% | 0.612 | 64% | 0.637 | S | S | * | * | trans | -65.5 | 143.7 | -177.1 | -68.2 | 175.9 | 74.9 | 0 | 0 | 110.5 | G160 S164 A173 | G160-Q162 VanDerWaalsContact C-N 3.34Å; G160-Q162 PolarHBondContact O-N 3.46Å; G160-Q162 VanDerWaalsContact O-N 3.12Å; Q162-S164 VanDerWaalsContact C-N 3.34Å; Q162-S164 PolarHBondContact O-N 3.18Å; Q162-A173 HydrophobicContact CB-CB 3.96Å; Q162-A173 VanDerWaalsContact OE1-CB 3.31Å | ||
| 163 | V | 57.6 | Low | 56.3 | Low | 116 Ų | 116 | 113.6 Ų | 113.6 | 70% | 0.703 | 64% | 0.636 | S | S | * | * | trans | -64.3 | 95.3 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | L174 | V163-L174 HydrophobicContact CG1-CD1 4.38Å; V163-L174 PolarHBondContact O-N 3.38Å | ||
| 164 | S | 56.7 | Low | 57.4 | Low | 45 Ų | 45 | 108.1 Ų | 108.1 | 32% | 0.315 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.9 | -176.2 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | Q162 Q171 V172 | Q162-S164 VanDerWaalsContact C-N 3.34Å; Q162-S164 PolarHBondContact O-N 3.18Å; S164-Q171 PolarHBondContact OG-OE1 3.07Å; S164-V172 CarbonylContact C-O 3.57Å; S164-V172 VanDerWaalsContact CA-O 3.29Å; S164-V172 WeakPolarHBondContact CA-O 3.16Å |
| 165 | I | 64.5 | Low | 58.6 | Low | 87 Ų | 87 | 102.6 Ų | 102.6 | 45% | 0.446 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 129.7 | 166.3 | -176.3 | 159.7 | 0 | 0 | 0 | 108 | V167 V172 L174 | I165-V167 HydrophobicContact CG1-CG2 4.16Å; I165-V167 HydrophobicContact CG2-CG2 4.31Å; I165-V172 HydrophobicContact CG2-CB 4.18Å; I165-V172 PolarHBondContact N-O 3.23Å; I165-V172 PolarHBondContact O-N 2.89Å; I165-L174 HydrophobicContact CG2-CD2 3.85Å; I165-L174 HydrophobicContact CG2-CG 4.23Å |
| 166 | M | 66.9 | Low | 60 | Low | 134 Ų | 134 | 98.4 Ų | 98.4 | 66% | 0.66 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 119.4 | 170.7 | -70.3 | -148.4 | -55 | 0 | 0 | 110.1 | V170 Q171 | M166-V170 WeakPolarHBondContact CA-O 3.11Å; M166-Q171 HydrophobicContact CG-CG 3.85Å; M166-Q171 HydrophobicContact SD-CG 4.26Å |
| 167 | V | 63.8 | Low | 61.3 | Low | 84 Ų | 84 | 99 Ų | 99 | 51% | 0.509 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.9 | 171.9 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | I165 G169 V170 | I165-V167 HydrophobicContact CG1-CG2 4.16Å; I165-V167 HydrophobicContact CG2-CG2 4.31Å; V167-G169 PolarHBondContact O-N 3.02Å; V167-V170 PolarHBondContact N-O 3.27Å; V167-V170 PolarHBondContact O-N 2.89Å |
| 168 | D | 70.1 | Confident | 63.1 | Low | 174 Ų | 174 | 102.3 Ų | 102.3 | 93% | 0.93 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.8 | 27 | -177.3 | -118.7 | 3 | 0 | 0 | 0 | 115 | ||
| 169 | G | 69.3 | Low | 64.5 | Low | 66 Ų | 66 | 101.3 Ų | 101.3 | 68% | 0.68 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.6 | -0.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | V167 | V167-G169 PolarHBondContact O-N 3.02Š|
| 170 | V | 70.3 | Confident | 65.9 | Low | 94 Ų | 94 | 98.7 Ų | 98.7 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 129.8 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | M166 V167 V172 | M166-V170 WeakPolarHBondContact CA-O 3.11Å; V167-V170 PolarHBondContact N-O 3.27Å; V167-V170 PolarHBondContact O-N 2.89Å; V170-V172 HydrophobicContact CG1-CG2 4.48Å |
| 171 | Q | 58.3 | Low | 67.2 | Low | 130 Ų | 130 | 99.3 Ų | 99.3 | 61% | 0.607 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.7 | 119.5 | 170 | -77.3 | -175.4 | 53.1 | 0 | 0 | 110.2 | S164 M166 | S164-Q171 PolarHBondContact OG-OE1 3.07Å; M166-Q171 HydrophobicContact CG-CG 3.85Å; M166-Q171 HydrophobicContact SD-CG 4.26Å |
| 172 | V | 67 | Low | 68.3 | Low | 71 Ų | 71 | 99.4 Ų | 99.4 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.3 | 175.5 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | S164 I165 V170 | S164-V172 CarbonylContact C-O 3.57Å; S164-V172 VanDerWaalsContact CA-O 3.29Å; S164-V172 WeakPolarHBondContact CA-O 3.16Å; I165-V172 HydrophobicContact CG2-CB 4.18Å; I165-V172 PolarHBondContact N-O 3.23Å; I165-V172 PolarHBondContact O-N 2.89Å; V170-V172 HydrophobicContact CG1-CG2 4.48Å |
| 173 | A | 70.6 | Confident | 69.1 | Low | 44 Ų | 44 | 94.8 Ų | 94.8 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 138.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q162 | Q162-A173 HydrophobicContact CB-CB 3.96Å; Q162-A173 VanDerWaalsContact OE1-CB 3.31Å |
| 174 | L | 71.5 | Confident | 69.4 | Low | 93 Ų | 93 | 94.4 Ų | 94.4 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 138.7 | 175.2 | -62.7 | 177.5 | 0 | 0 | 0 | 110.9 | V163 I165 | V163-L174 HydrophobicContact CG1-CD1 4.38Å; V163-L174 PolarHBondContact O-N 3.38Å; I165-L174 HydrophobicContact CG2-CD2 3.85Å; I165-L174 HydrophobicContact CG2-CG 4.23Å |
| 175 | P | 73.2 | Confident | 69.6 | Low | 83 Ų | 83 | 96 Ų | 96 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -56 | 148.2 | 173.1 | -26.5 | 35.5 | 0 | 0 | 0 | 112.8 | E179 | P175-E179 HydrophobicContact CB-CB 4.27Å; P175-E179 HydrophobicContact CB-CG 4.23Å |
| 176 | S | 75.5 | Confident | 69 | Low | 51 Ų | 51 | 95.7 Ų | 95.7 | 36% | 0.357 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 160.1 | 171.6 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | E178 E179 A180 | S176-E178 PolarHBondContact O-N 2.95Å; S176-E178 WeakPolarHBondContact OG-CG 3.33Å; S176-E179 PolarHBondContact O-N 3.21Å; S176-E179 VanDerWaalsContact O-N 3.11Å; S176-E179 WeakPolarHBondContact OG-CB 3.25Å; S176-E179 PolarHBondContact OG-N 3.28Å; S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 2.83Å |
| 177 | Y | 74.4 | Confident | 68.1 | Low | 182 Ų | 182 | 97.4 Ų | 97.4 | 71% | 0.714 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -56.9 | -39.7 | 177 | 169.9 | -98.5 | 0 | 0 | 0 | 112.2 | A180 V181 | Y177-A180 PolarHBondContact O-N 3.29Å; Y177-V181 HydrophobicContact CD2-CG2 4.07Å; Y177-V181 HydrophobicContact CE1-CG2 4.19Å; Y177-V181 HydrophobicContact CE2-CG2 3.64Å; Y177-V181 WeakPolarHBondContact O-CB 3.28Å; Y177-V181 VanDerWaalsContact O-CG2 3.31Å; Y177-V181 WeakPolarHBondContact O-CG2 3.45Å; Y177-V181 PolarHBondContact O-N 3.42Å |
| 178 | E | 76 | Confident | 67.3 | Low | 133 Ų | 133 | 99.2 Ų | 99.2 | 62% | 0.621 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.1 | -40.8 | 175.1 | 57 | -170.7 | 176.8 | 0 | 0 | 112.4 | S176 V181 Y182 | S176-E178 PolarHBondContact O-N 2.95Å; S176-E178 WeakPolarHBondContact OG-CG 3.33Å; E178-V181 PolarHBondContact O-N 3.34Å; E178-Y182 HydrophobicContact CB-CD2 4.13Å; E178-Y182 HydrophobicContact CB-CE2 4.45Å; E178-Y182 WeakPolarHBondContact O-CB 3.35Å; E178-Y182 VanDerWaalsContact O-CD2 3.29Å; E178-Y182 WeakPolarHBondContact O-CD2 3.4Å; E178-Y182 PolarHBondContact O-N 2.87Å |
| 179 | E | 72.6 | Confident | 66.4 | Low | 79 Ų | 79 | 97.9 Ų | 97.9 | 37% | 0.369 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68 | -35.8 | 174.2 | -176.6 | 170.2 | -141.3 | 0 | 0 | 112 | P175 S176 G183 S184 | P175-E179 HydrophobicContact CB-CB 4.27Å; P175-E179 HydrophobicContact CB-CG 4.23Å; S176-E179 PolarHBondContact O-N 3.21Å; S176-E179 VanDerWaalsContact O-N 3.11Å; S176-E179 WeakPolarHBondContact OG-CB 3.25Å; S176-E179 PolarHBondContact OG-N 3.28Å; E179-G183 WeakPolarHBondContact O-CA 3.33Å; E179-G183 PolarHBondContact O-N 2.83Å; E179-S184 VanDerWaalsContact OE1-CB 3.31Å; E179-S184 WeakPolarHBondContact OE1-CB 3.42Å; E179-S184 PolarHBondContact OE1-OG 3.48Å |
| 180 | A | 76.4 | Confident | 66.1 | Low | 77 Ų | 77 | 99.4 Ų | 99.4 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.3 | -26.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S176 Y177 | S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 2.83Å; Y177-A180 PolarHBondContact O-N 3.29Å |
| 181 | V | 75.2 | Confident | 65.4 | Low | 75 Ų | 75 | 101.1 Ų | 101.1 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -97 | -40.6 | -178.2 | 169.8 | 0 | 0 | 0 | 0 | 112.9 | Y177 E178 | Y177-V181 HydrophobicContact CD2-CG2 4.07Å; Y177-V181 HydrophobicContact CE1-CG2 4.19Å; Y177-V181 HydrophobicContact CE2-CG2 3.64Å; Y177-V181 WeakPolarHBondContact O-CB 3.28Å; Y177-V181 VanDerWaalsContact O-CG2 3.31Å; Y177-V181 WeakPolarHBondContact O-CG2 3.45Å; Y177-V181 PolarHBondContact O-N 3.42Å; E178-V181 PolarHBondContact O-N 3.34Å |
| 182 | Y | 70.3 | Confident | 65 | Low | 138 Ų | 138 | 99.8 Ų | 99.8 | 54% | 0.541 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -101.1 | -11.4 | -177.5 | -56 | -66.2 | 0 | 0 | 0 | 113.4 | E178 M189 | E178-Y182 HydrophobicContact CB-CD2 4.13Å; E178-Y182 HydrophobicContact CB-CE2 4.45Å; E178-Y182 WeakPolarHBondContact O-CB 3.35Å; E178-Y182 VanDerWaalsContact O-CD2 3.29Å; E178-Y182 WeakPolarHBondContact O-CD2 3.4Å; E178-Y182 PolarHBondContact O-N 2.87Å; Y182-M189 HydrophobicContact CD1-CE 4.49Å; Y182-M189 HydrophobicContact CE1-CE 3.83Å |
| 183 | G | 70 | Confident | 64.1 | Low | 35 Ų | 35 | 101.9 Ų | 101.9 | 36% | 0.361 | 61% | 0.611 | S | S | . | * | trans | 74.8 | 160.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E179 S185 | E179-G183 WeakPolarHBondContact O-CA 3.33Å; E179-G183 PolarHBondContact O-N 2.83Å; G183-S185 PolarHBondContact O-N 2.9Å | ||
| 184 | S | 65.2 | Low | 63.1 | Low | 108 Ų | 108 | 105.9 Ų | 105.9 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -67.3 | 2.7 | 175 | -137.1 | 0 | 0 | 0 | 0 | 113.6 | E179 | E179-S184 VanDerWaalsContact OE1-CB 3.31Å; E179-S184 WeakPolarHBondContact OE1-CB 3.42Å; E179-S184 PolarHBondContact OE1-OG 3.48Å |
| 185 | S | 61.6 | Low | 61.6 | Low | 79 Ų | 79 | 111.8 Ų | 111.8 | 55% | 0.552 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -115.8 | 91.1 | 177.5 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | G183 H187 | G183-S185 PolarHBondContact O-N 2.9Å; S185-H187 VanDerWaalsContact C-N 3.28Å; S185-H187 PolarHBondContact O-N 3.45Å |
| 186 | G | 51.8 | Low | 60.4 | Low | 80 Ų | 80 | 113.7 Ų | 113.7 | 83% | 0.825 | 66% | 0.66 | S | S | * | * | trans | -69.1 | 69.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 187 | H | 46.5 | Very low | 58.6 | Low | 169 Ų | 169 | 119.9 Ų | 119.9 | 78% | 0.782 | 68% | 0.683 | S | S | * | * | trans | -111.5 | 123.8 | 177.7 | -80.8 | -54.8 | 0 | 0 | 0 | 112.4 | S185 | S185-H187 VanDerWaalsContact C-N 3.28Å; S185-H187 PolarHBondContact O-N 3.45Å | ||
| 188 | C | 46.7 | Very low | 57.5 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | trans | 58.4 | 94 | 172 | -67.1 | 0 | 0 | 0 | 0 | 116.7 | P190 | C188-P190 WeakPolarHBondContact O-CD 3.25Š| ||
| 189 | M | 52.3 | Low | 56.1 | Low | 146 Ų | 146 | 116.7 Ų | 116.7 | 72% | 0.719 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 122.6 | 153.1 | -67.3 | -116.6 | 74.3 | 0 | 0 | 109.8 | Y182 | Y182-M189 HydrophobicContact CD1-CE 4.49Å; Y182-M189 HydrophobicContact CE1-CE 3.83Å |
| 190 | P | 61.9 | Low | 54.8 | Low | 99 Ų | 99 | 120.6 Ų | 120.6 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 143 | 166.6 | 31.6 | -32.8 | 0 | 0 | 0 | 110.2 | C188 A192 | C188-P190 WeakPolarHBondContact O-CD 3.25Å; P190-A192 PolarHBondContact O-N 3.43Å |
| 191 | P | 55.5 | Low | 53 | Low | 130 Ų | 130 | 122.3 Ų | 122.3 | 84% | 0.844 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 120 | 176.5 | 29.2 | -33.2 | 0 | 0 | 0 | 110.7 | D193 | P191-D193 PolarHBondContact O-N 2.84Š|
| 192 | A | 50 | Low | 51.4 | Low | 101 Ų | 101 | 128.3 Ų | 128.3 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | trans | -79.9 | 105.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P190 | P190-A192 PolarHBondContact O-N 3.43Š| ||
| 193 | D | 49.1 | Very low | 49.9 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | trans | -61.4 | 130.8 | 167.1 | -172.2 | -43.8 | 0 | 0 | 0 | 109.7 | P191 R195 | P191-D193 PolarHBondContact O-N 2.84Å; D193-R195 PolarHBondContact O-N 3.26Å; D193-R195 VanDerWaalsContact OD1-CB 3.3Å; D193-R195 WeakPolarHBondContact OD1-CB 3.49Å; D193-R195 WeakPolarHBondContact OD1-CG 3.31Å; D193-R195 PolarHBondContact OD1-N 2.89Å | ||
| 194 | P | 48.6 | Very low | 48.4 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -73.9 | 37.7 | -175.4 | 32.8 | -38.8 | 0 | 0 | 0 | 114.4 | ||
| 195 | R | 39.9 | Very low | 47.2 | Very low | 217 Ų | 217 | 128.9 Ų | 128.9 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | trans | -136.6 | 40.5 | -169.3 | -67.9 | -174.9 | 153.6 | -170.1 | -5.2 | 116.1 | D193 | D193-R195 PolarHBondContact O-N 3.26Å; D193-R195 VanDerWaalsContact OD1-CB 3.3Å; D193-R195 WeakPolarHBondContact OD1-CB 3.49Å; D193-R195 WeakPolarHBondContact OD1-CG 3.31Å; D193-R195 PolarHBondContact OD1-N 2.89Å | ||
| 196 | V | 48.1 | Very low | 46.3 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | trans | -120.8 | 105 | 161.5 | -171.3 | 0 | 0 | 0 | 0 | 111 | I198 | V196-I198 HydrophobicContact CG1-CG1 3.88Å; V196-I198 PolarHBondContact O-N 3.45Å; V196-I198 VanDerWaalsContact O-N 3.13Å | ||
| 197 | Q | 37.5 | Very low | 45.7 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -78.3 | 87 | 172.9 | -177.9 | 176.4 | 54 | 0 | 0 | 109.2 | V199 | Q197-V199 PolarHBondContact O-N 3.27Š| ||
| 198 | I | 52.7 | Low | 45 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 100.5 | 179.3 | -58.3 | -179.8 | 0 | 0 | 0 | 109.5 | V196 L200 | V196-I198 HydrophobicContact CG1-CG1 3.88Å; V196-I198 PolarHBondContact O-N 3.45Å; V196-I198 VanDerWaalsContact O-N 3.13Å; I198-L200 PolarHBondContact O-N 3.05Å | ||
| 199 | V | 45.7 | Very low | 44.8 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | trans | -72.6 | 110.4 | 171 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | Q197 S201 | Q197-V199 PolarHBondContact O-N 3.27Å; V199-S201 PolarHBondContact O-N 2.84Å | ||
| 200 | L | 44.8 | Very low | 44.3 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -72.5 | 107.1 | 171.7 | -74.3 | 168.6 | 0 | 0 | 0 | 110 | I198 | I198-L200 PolarHBondContact O-N 3.05Š| ||
| 201 | S | 39.9 | Very low | 43.1 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -117 | 106.1 | 168.5 | -69.9 | 0 | 0 | 0 | 0 | 109 | V199 | V199-S201 PolarHBondContact O-N 2.84Š| ||
| 202 | E | 41.9 | Very low | 42.4 | Very low | 201 Ų | 201 | 136.1 Ų | 136.1 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -120 | 147 | 177.9 | -169.1 | 178.2 | 142.6 | 0 | 0 | 110.1 | ||||
| 203 | G | 38.6 | Very low | 41.5 | Very low | 73 Ų | 73 | 142.4 Ų | 142.4 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 112.4 | 39.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | A205 | G203-A205 PolarHBondContact O-N 3.36Š| ||
| 204 | S | 38.1 | Very low | 40.8 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -75.9 | 114.5 | 169.2 | 60 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 205 | A | 40.1 | Very low | 40.2 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -80.9 | 127.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G203 | G203-A205 PolarHBondContact O-N 3.36Š| ||
| 206 | P | 42.2 | Very low | 39.9 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -100.6 | 135 | -174 | 35.7 | -32.3 | 0 | 0 | 0 | 113.8 | ||||
| 207 | S | 39.2 | Very low | 39.4 | Very low | 129 Ų | 129 | 145 Ų | 145 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -161.9 | 118.8 | 146.4 | -162.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 208 | G | 33.3 | Very low | 39.4 | Very low | 78 Ų | 78 | 144.9 Ų | 144.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -140 | 109.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 209 | R | 41.9 | Very low | 38.6 | Very low | 228 Ų | 228 | 141.4 Ų | 141.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -156.8 | 106.2 | 174.1 | -135 | 170.4 | -178.7 | 164.3 | -0.3 | 113 | ||||
| 210 | N | 41.3 | Very low | 38.4 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | 48.4 | 105.5 | 148.6 | -55.9 | -8.1 | 0 | 0 | 0 | 120.6 | ||||
| 211 | M | 37.8 | Very low | 38 | Very low | 181 Ų | 181 | 142 Ų | 142 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | 57.2 | 161.9 | 127.4 | -77.3 | -69.4 | -123.4 | 0 | 0 | 121.6 | |||||
| 212 | P | 39.4 | Very low | 38 | Very low | 95 Ų | 95 | 141 Ų | 141 | 62% | 0.617 | 80% | 0.802 | S | S | * | * | cis | -130.2 | 174.5 | -20.3 | 39.6 | -24.9 | 0 | 0 | 0 | 114.2 | ||||
| 213 | R | 31.2 | Very low | 37.9 | Very low | 233 Ų | 233 | 136.8 Ų | 136.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 65.3 | 141 | 169.6 | -74.4 | 178.1 | 147.5 | 115.8 | -3.3 | 114.4 | ||||
| 214 | E | 35.4 | Very low | 37.9 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | cis | -137 | -172.7 | 47.9 | -131.2 | 168.1 | 89.1 | 0 | 0 | 114.7 | ||||
| 215 | Q | 34.7 | Very low | 38.1 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -72.6 | 159.3 | 177.2 | -66.4 | 138.2 | -121.3 | 0 | 0 | 110.3 | ||||
| 216 | Q | 34.1 | Very low | 38.1 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | 177.6 | 156 | 57.2 | 178.5 | 156.4 | -92.6 | 0 | 0 | 111.9 | |||||
| 217 | L | 38.3 | Very low | 38 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 63.1 | 114.4 | 171.9 | -98.4 | 56.9 | 0 | 0 | 0 | 116.1 | ||||
| 218 | Q | 37 | Very low | 38.1 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | 87.9 | 112.8 | 51.6 | -179 | 178.3 | 64.5 | 0 | 0 | 112.8 | |||||
| 219 | G | 36.7 | Very low | 38.8 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | cis | 170 | -177.5 | -9.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 220 | Q | 39.6 | Very low | 39 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | 70.5 | 131.9 | 146 | -149.3 | 168.7 | -22.1 | 0 | 0 | 119.3 | ||||
| 221 | A | 38.1 | Very low | 38.8 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | cis | -169.9 | 168.3 | -13.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 222 | A | 39.1 | Very low | 39.3 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 68.8 | 148 | 148.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 223 | C | 39.8 | Very low | 39.4 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | cis | -166 | 155.8 | -14.6 | -108.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 224 | S | 39.6 | Very low | 39.7 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 33.9 | 154.5 | 134 | -54.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 225 | S | 41 | Very low | 40 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | 179.3 | 119.9 | -5.5 | 164.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 226 | A | 40.4 | Very low | 40.1 | Very low | 100 Ų | 100 | 124 Ų | 124 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | 83.1 | 147.2 | 92.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 227 | G | 39.9 | Very low | 40.4 | Very low | 84 Ų | 84 | 119.9 Ų | 119.9 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 90.2 | 140.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 228 | G | 41 | Very low | 40.6 | Very low | 50 Ų | 50 | 121 Ų | 121 | 52% | 0.515 | 79% | 0.789 | S | S | . | * | cis | 162 | 137 | -8.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 229 | E | 48.2 | Very low | 40.6 | Very low | 178 Ų | 178 | 117.9 Ų | 117.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 61.3 | -173.5 | 161.7 | -60.4 | 74.2 | -96 | 0 | 0 | 117.4 | ||||
| 230 | D | 45.7 | Very low | 40.6 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | -148.6 | -173.2 | -87.9 | -116.7 | -75.2 | 0 | 0 | 0 | 108.6 | |||||
| 231 | E | 38.7 | Very low | 40.6 | Very low | 175 Ų | 175 | 118.6 Ų | 118.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -150.8 | 148 | 17.4 | 168.1 | 172.7 | 37.2 | 0 | 0 | 112 | ||||
| 232 | A | 46.6 | Very low | 40.6 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 65.5 | 158.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 233 | P | 43.1 | Very low | 40.5 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -123.3 | 170.8 | -162.8 | 42.2 | -28.1 | 0 | 0 | 0 | 116.7 | ||||
| 234 | G | 37.7 | Very low | 40.5 | Very low | 69 Ų | 69 | 124.5 Ų | 124.5 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -151.9 | 124.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 235 | H | 40.3 | Very low | 40.6 | Very low | 198 Ų | 198 | 128.4 Ų | 128.4 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | 6.9 | 118 | 166.7 | -79.7 | -92.7 | 0 | 0 | 0 | 120.8 | ||||
| 236 | S | 36.8 | Very low | 40.7 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | trans | -103.3 | 147.9 | 155.3 | -69.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 237 | G | 41.5 | Very low | 40.7 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -113.6 | 138.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 238 | L | 42.6 | Very low | 41 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 23.9 | 126.1 | 148.8 | -66.7 | 168.3 | 0 | 0 | 0 | 121.8 | ||||
| 239 | C | 35.5 | Very low | 41.5 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | 57.6 | 152.3 | 143.9 | 69.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 240 | E | 37.1 | Very low | 41.2 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | cis | -144.9 | -161 | 30 | -57.9 | -172.9 | 126.3 | 0 | 0 | 113.6 | ||||
| 241 | A | 39.7 | Very low | 41.5 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | 75.6 | 148.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 242 | W | 37.4 | Very low | 42.2 | Very low | 248 Ų | 248 | 130.1 Ų | 130.1 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | cis | -170.2 | 141.3 | -10.6 | 158.8 | -77.3 | 0 | 0 | 0 | 112.4 | ||||
| 243 | G | 37 | Very low | 42 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | 73.3 | 169.2 | 159 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 244 | S | 40.1 | Very low | 42.3 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | cis | -167.7 | 140.9 | -14.6 | -174 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 245 | Q | 42.4 | Very low | 42.4 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | 56.6 | 148.1 | 163.9 | -71.3 | 174.8 | -36.8 | 0 | 0 | 120 | ||||
| 246 | G | 43.1 | Very low | 42.8 | Very low | 66 Ų | 66 | 135.4 Ų | 135.4 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | cis | 165 | 154.6 | -9.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 247 | S | 41.1 | Very low | 43.1 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 61.4 | 154.8 | 163.7 | -66.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 248 | E | 44.8 | Very low | 43.3 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | cis | -173.6 | 174.9 | -22.8 | -114.7 | 165.2 | 94.8 | 0 | 0 | 107.4 | ||||
| 249 | T | 51.3 | Low | 43.6 | Very low | 111 Ų | 111 | 134 Ų | 134 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | cis | -132.1 | -163.2 | 4.9 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 250 | V | 43.3 | Very low | 43.9 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | -134.7 | 141.7 | 164 | 169.8 | 0 | 0 | 0 | 0 | 110 | V252 | V250-V252 HydrophobicContact CG1-CG2 4.17Š| ||
| 251 | M | 52.1 | Low | 44.9 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -133.3 | 137 | 168.6 | -84.6 | -83.9 | -82.2 | 0 | 0 | 109.9 | ||||
| 252 | V | 52.5 | Low | 45.2 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -113.7 | 151.1 | -174.4 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | V250 | V250-V252 HydrophobicContact CG1-CG2 4.17Š| ||
| 253 | H | 43.4 | Very low | 45.6 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -62.1 | 141.1 | -178.2 | -71 | -143.1 | 0 | 0 | 0 | 112.5 | ||||
| 254 | Q | 48.4 | Very low | 45.9 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -119.4 | 129.9 | 162.4 | -174.5 | 171.7 | -10.3 | 0 | 0 | 109.1 | ||||
| 255 | A | 39.3 | Very low | 45.8 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -105.1 | 142.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 256 | T | 49.1 | Very low | 45.7 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -125.6 | 134.2 | 175 | -48.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 257 | T | 43.8 | Very low | 45.6 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | -120 | 171.1 | -170 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 258 | S | 44.8 | Very low | 45.5 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | 72.6 | 153.2 | 168.7 | 88.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 259 | S | 48.8 | Very low | 45.2 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | cis | -158.8 | 143.2 | -16.9 | 173.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 260 | W | 43.2 | Very low | 44.7 | Very low | 261 Ų | 261 | 135.7 Ų | 135.7 | 99% | 0.989 | 80% | 0.802 | S | S | * | * | trans | -89.9 | 132.8 | 166.6 | -65.1 | 94.4 | 0 | 0 | 0 | 109.7 | ||||
| 261 | V | 58.1 | Low | 44.7 | Very low | 133 Ų | 133 | 138 Ų | 138 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -126.1 | 126.6 | 175 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 262 | A | 44.6 | Very low | 44.4 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -120.3 | 125 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 263 | G | 45.9 | Very low | 43.9 | Very low | 65 Ų | 65 | 137.6 Ų | 137.6 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -154.4 | 116 | 171 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 264 | S | 43.9 | Very low | 43.8 | Very low | 132 Ų | 132 | 135 Ų | 135 | 92% | 0.923 | 79% | 0.791 | S | S | * | * | 63.1 | 96.7 | 76.5 | -163.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 265 | G | 37.8 | Very low | 43.7 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -99.2 | 174.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 266 | S | 40.1 | Very low | 44.1 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -163.5 | 146.8 | 164.9 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 267 | S | 41.4 | Very low | 44.1 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | 70.3 | 152.3 | 160.2 | 86.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 268 | R | 38.2 | Very low | 44.5 | Very low | 220 Ų | 220 | 136.7 Ų | 136.7 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | cis | -159 | -175.1 | -24.7 | -118.2 | 175 | -163.9 | 171.2 | 4.5 | 108.1 | ||||
| 269 | Q | 39.8 | Very low | 44.4 | Very low | 152 Ų | 152 | 137 Ų | 137 | 71% | 0.71 | 79% | 0.792 | S | S | * | * | trans | -34.3 | 157 | 168.3 | -63.8 | 135.3 | -73.9 | 0 | 0 | 114.1 | ||||
| 270 | T | 41 | Very low | 44.5 | Very low | 120 Ų | 120 | 137 Ų | 137 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | -170.5 | 146.2 | 55.5 | -37 | 0 | 0 | 0 | 0 | 114 | |||||
| 271 | H | 42.2 | Very low | 44.8 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | 67.3 | 122.8 | 148.4 | -94.1 | -144.6 | 0 | 0 | 0 | 123.4 | ||||
| 272 | K | 46.7 | Very low | 44.8 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | 96.2 | 96.5 | 117.2 | -169 | 162.2 | -172.9 | 172.5 | 0 | 120.5 | |||||
| 273 | D | 41.6 | Very low | 44.8 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | 29.3 | 116.5 | 126.1 | -30.3 | -44.6 | 0 | 0 | 0 | 119.8 | |||||
| 274 | T | 40.5 | Very low | 45 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | 164.2 | 147.3 | 108 | -63.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 275 | A | 46.3 | Very low | 45.2 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | trans | -58.2 | 155.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 276 | D | 47.3 | Very low | 45.6 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | -143.9 | 163.3 | 129.8 | -105.7 | -38.7 | 0 | 0 | 0 | 109.6 | |||||
| 277 | S | 51 | Low | 45.7 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -83 | 162.8 | -150.6 | -61.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 278 | E | 51.1 | Low | 46 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -61 | 128.1 | 178.4 | -73.3 | 163.7 | 73.6 | 0 | 0 | 115.1 | ||||
| 279 | N | 42 | Very low | 46.4 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | 45.1 | 111.4 | 125.7 | -172 | 85.4 | 0 | 0 | 0 | 119 | |||||
| 280 | S | 50.8 | Low | 46.9 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -132.1 | 154.6 | 155.6 | -63.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 281 | D | 50.2 | Low | 47.6 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | 63.4 | 61.5 | 160.8 | -50.9 | -32.5 | 0 | 0 | 0 | 119.1 | ||||
| 282 | I | 57.6 | Low | 48.1 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 67% | 0.667 | 79% | 0.787 | S | S | * | * | trans | -130.3 | 153.9 | 151.1 | 55.3 | 171 | 0 | 0 | 0 | 111.8 | ||||
| 283 | Q | 45.2 | Very low | 48.3 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 76.5 | 39.6 | 175.2 | -53.9 | -173.8 | -3.8 | 0 | 0 | 118.4 | L285 | Q283-L285 PolarHBondContact O-N 2.88Å; Q283-L285 VanDerWaalsContact O-N 3.13Å | ||
| 284 | S | 50.5 | Low | 49.1 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -76.7 | 29.6 | 156.6 | -51.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 285 | L | 46.9 | Very low | 50.4 | Low | 148 Ų | 148 | 140.5 Ų | 140.5 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -144.7 | 133.7 | -171.7 | -73.1 | 176.9 | 0 | 0 | 0 | 112 | Q283 | Q283-L285 PolarHBondContact O-N 2.88Å; Q283-L285 VanDerWaalsContact O-N 3.13Å |
| 286 | L | 47.3 | Very low | 51.4 | Low | 152 Ų | 152 | 143 Ų | 143 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | 70.7 | 55.8 | 163 | -53 | 179.5 | 0 | 0 | 0 | 118.6 | ||||
| 287 | S | 42.9 | Very low | 52.7 | Low | 135 Ų | 135 | 141.1 Ų | 141.1 | 94% | 0.944 | 77% | 0.769 | S | S | * | * | trans | -94.9 | 74.8 | 145.1 | -63.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 288 | L | 47.4 | Very low | 53.7 | Low | 136 Ų | 136 | 140.6 Ų | 140.6 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | -109.3 | 163.4 | 170.8 | -115.1 | 168.2 | 0 | 0 | 0 | 109.1 | ||||
| 289 | T | 45.7 | Very low | 53.8 | Low | 109 Ų | 109 | 139.9 Ų | 139.9 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | 52.8 | 63.1 | 177 | 58.7 | 0 | 0 | 0 | 0 | 115.2 | E291 | T289-E291 VanDerWaalsContact C-N 3.31Å; T289-E291 WeakPolarHBondContact CB-OE1 3.14Å; T289-E291 PolarHBondContact O-N 3.01Å | ||
| 290 | S | 50.4 | Low | 54.7 | Low | 129 Ų | 129 | 141.7 Ų | 141.7 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -83.9 | 80.1 | 149.9 | 61 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 291 | E | 55.9 | Low | 54.9 | Low | 160 Ų | 160 | 146.2 Ų | 146.2 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -96.7 | 114.1 | 169.8 | 60.1 | -159.6 | 80.6 | 0 | 0 | 109.2 | T289 | T289-E291 VanDerWaalsContact C-N 3.31Å; T289-E291 WeakPolarHBondContact CB-OE1 3.14Å; T289-E291 PolarHBondContact O-N 3.01Å | ||
| 292 | E | 53.4 | Low | 55.4 | Low | 178 Ų | 178 | 147.5 Ų | 147.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 177 | 157 | 144.3 | -175.5 | 58.4 | 137.8 | 0 | 0 | 110.5 | ||||
| 293 | Y | 49.7 | Very low | 55.1 | Low | 197 Ų | 197 | 149.4 Ų | 149.4 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 77.7 | 88.4 | 161.3 | -130.9 | -92.3 | 0 | 0 | 0 | 120.4 | ||||
| 294 | T | 58.7 | Low | 55.6 | Low | 98 Ų | 98 | 148 Ų | 148 | 60% | 0.601 | 82% | 0.815 | S | S | * | * | trans | -31.5 | 140.9 | 151.6 | 45.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 295 | D | 68.2 | Low | 55.9 | Low | 137 Ų | 137 | 149.2 Ų | 149.2 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | -136.4 | 78.8 | 150.8 | -174.7 | 25.6 | 0 | 0 | 0 | 109.6 | I297 | D295-I297 PolarHBondContact O-N 2.8Š| ||
| 296 | D | 67.3 | Low | 56.4 | Low | 140 Ų | 140 | 149.3 Ų | 149.3 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | -85.8 | 98.9 | 177.4 | -84.3 | -66 | 0 | 0 | 0 | 110.5 | P298 | D296-P298 VanDerWaalsContact O-CD 3.23Å; D296-P298 WeakPolarHBondContact O-CD 3.48Å | ||
| 297 | I | 75.4 | Confident | 56.9 | Low | 127 Ų | 127 | 149.1 Ų | 149.1 | 65% | 0.651 | 82% | 0.816 | S | S | * | * | trans | -86.9 | 109.5 | 177.1 | -64.7 | 168.5 | 0 | 0 | 0 | 110.1 | D295 L299 | D295-I297 PolarHBondContact O-N 2.8Å; I297-L299 PolarHBondContact O-N 2.82Å | ||
| 298 | P | 71.9 | Confident | 57.8 | Low | 109 Ų | 109 | 150 Ų | 150 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | trans | -77.7 | 114 | 180 | 30.9 | -34.2 | 0 | 0 | 0 | 111.5 | D296 L300 | D296-P298 VanDerWaalsContact O-CD 3.23Å; D296-P298 WeakPolarHBondContact O-CD 3.48Å; P298-L300 PolarHBondContact O-N 3.18Å | ||
| 299 | L | 52.5 | Low | 58.4 | Low | 171 Ų | 171 | 150.9 Ų | 150.9 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -68.9 | 86.4 | 171.3 | -75 | 170.1 | 0 | 0 | 0 | 111.5 | I297 K301 | I297-L299 PolarHBondContact O-N 2.82Å; L299-K301 PolarHBondContact O-N 3.36Å | ||
| 300 | L | 61.2 | Low | 59.4 | Low | 165 Ų | 165 | 153.9 Ų | 153.9 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -79.9 | 112.4 | 164.6 | -84.3 | 172.5 | 0 | 0 | 0 | 110.6 | P298 | P298-L300 PolarHBondContact O-N 3.18Š| ||
| 301 | K | 54 | Low | 60.1 | Low | 192 Ų | 192 | 155.8 Ų | 155.8 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -95.1 | 113.6 | 173 | 173.4 | -172.3 | 172.4 | -178.9 | 0 | 109.4 | L299 | L299-K301 PolarHBondContact O-N 3.36Š| ||
| 302 | E | 61 | Low | 60.4 | Low | 183 Ų | 183 | 155.5 Ų | 155.5 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -132.8 | 156.9 | 163.7 | -69.5 | -159.3 | 107.6 | 0 | 0 | 110.4 | ||||
| 303 | A | 51.6 | Low | 61 | Low | 169 Ų | 169 | 153.5 Ų | 153.5 | 100% | 1.397 | 82% | 0.824 | S | S | * | * | trans | 66.1 | 0 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.7 |
Retrieved 303 of 303 residues in 129.3 ms
(Link to these results)