| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36 | Very low | 34.3 | Very low | 241 Ų | 241 | 154.5 Ų | 154.5 | 100% | 1.187 | 87% | 0.865 | S | S | * | * | 0 | 131.7 | 0 | -75.1 | 178.2 | 167.5 | 0 | 0 | 107.7 | |||||
| 2 | A | 34.7 | Very low | 34.7 | Very low | 82 Ų | 82 | 152.2 Ų | 152.2 | 68% | 0.678 | 87% | 0.866 | S | S | * | * | trans | 57 | 113 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 3 | D | 31.7 | Very low | 34.9 | Very low | 168 Ų | 168 | 159.2 Ų | 159.2 | 90% | 0.898 | 87% | 0.87 | S | S | * | * | 67.4 | 131.4 | 71.2 | -63.1 | -45.3 | 0 | 0 | 0 | 112.7 | |||||
| 4 | G | 32.3 | Very low | 34.7 | Very low | 77 Ų | 77 | 152.7 Ų | 152.7 | 79% | 0.794 | 86% | 0.858 | S | S | * | * | cis | -143.1 | -141.4 | -9.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 5 | C | 34 | Very low | 34.7 | Very low | 118 Ų | 118 | 156.8 Ų | 156.8 | 80% | 0.797 | 86% | 0.863 | S | S | * | * | cis | -168 | 160.5 | -14.3 | -173 | 0 | 0 | 0 | 0 | 105 | ||||
| 6 | C | 34.3 | Very low | 34.8 | Very low | 115 Ų | 115 | 156.9 Ų | 156.9 | 78% | 0.777 | 86% | 0.86 | S | S | * | * | cis | -147 | -149.9 | 11.6 | -54.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 7 | R | 36.8 | Very low | 34.7 | Very low | 257 Ų | 257 | 157.8 Ų | 157.8 | 97% | 0.97 | 86% | 0.857 | S | S | * | * | trans | -97.3 | 147.4 | 178.5 | -67.9 | 171.5 | 170.4 | 166.6 | -4.4 | 113.5 | ||||
| 8 | G | 32.3 | Very low | 34.6 | Very low | 74 Ų | 74 | 155.3 Ų | 155.3 | 76% | 0.763 | 85% | 0.853 | S | S | * | * | trans | -149.7 | 139.2 | 163 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 9 | T | 37.2 | Very low | 34.3 | Very low | 138 Ų | 138 | 154.3 Ų | 154.3 | 85% | 0.847 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 120.7 | -166.4 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 10 | E | 30.6 | Very low | 34.2 | Very low | 199 Ų | 199 | 152.3 Ų | 152.3 | 93% | 0.93 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -97 | 116.1 | 159.7 | -73.3 | -160.4 | 128.2 | 0 | 0 | 111.1 | ||
| 11 | R | 37 | Very low | 34.2 | Very low | 231 Ų | 231 | 152.2 Ų | 152.2 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 120.5 | 170.9 | -78.9 | 179.4 | 168.9 | 172.8 | -3.9 | 109.3 | R13 | R11-R13 PolarHBondContact O-N 2.78Š|
| 12 | S | 39.1 | Very low | 34 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 128.3 | 163.8 | -81.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 13 | R | 37.3 | Very low | 33.9 | Very low | 244 Ų | 244 | 153.2 Ų | 153.2 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -132.8 | 123.3 | 158.9 | -96.3 | -175.8 | 167.8 | 170.1 | -4.1 | 109.4 | R11 | R11-R13 PolarHBondContact O-N 2.78Š| ||
| 14 | G | 32.6 | Very low | 33.9 | Very low | 68 Ų | 68 | 153.1 Ų | 153.1 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | -61.1 | 143.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I16 | G14-I16 VanDerWaalsContact C-N 3.33Å; G14-I16 PolarHBondContact O-N 3.44Å | ||
| 15 | K | 34.5 | Very low | 33.9 | Very low | 214 Ų | 214 | 153.9 Ų | 153.9 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -74.6 | 83.2 | 177.5 | -165.4 | 176.2 | -173.1 | 178.1 | 0 | 109.3 | Q17 | K15-Q17 PolarHBondContact O-N 2.87Š| ||
| 16 | I | 37 | Very low | 33.7 | Very low | 159 Ų | 159 | 158.5 Ų | 158.5 | 82% | 0.815 | 83% | 0.825 | S | S | * | * | trans | -68.7 | 120.2 | 173.9 | -63.8 | 179.7 | 0 | 0 | 0 | 108.3 | G14 S18 | G14-I16 VanDerWaalsContact C-N 3.33Å; G14-I16 PolarHBondContact O-N 3.44Å; I16-S18 PolarHBondContact O-N 3.09Å | ||
| 17 | Q | 32.3 | Very low | 34 | Very low | 172 Ų | 172 | 158.6 Ų | 158.6 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -64.4 | 110.2 | 175.7 | -165.8 | 166.8 | 16.2 | 0 | 0 | 108.5 | K15 D19 | K15-Q17 PolarHBondContact O-N 2.87Å; Q17-D19 PolarHBondContact O-N 3.01Å | ||
| 18 | S | 32.7 | Very low | 34.2 | Very low | 112 Ų | 112 | 154.5 Ų | 154.5 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -76.2 | 91.4 | 176.6 | 59.1 | 0 | 0 | 0 | 0 | 109 | I16 S20 | I16-S18 PolarHBondContact O-N 3.09Å; S18-S20 PolarHBondContact O-N 2.87Å; S18-S20 VanDerWaalsContact O-N 3.15Å | ||
| 19 | D | 29.2 | Very low | 35.2 | Very low | 136 Ų | 136 | 156.8 Ų | 156.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -51.4 | 121.4 | 169.1 | -94 | -29.7 | 0 | 0 | 0 | 109.4 | Q17 L21 | Q17-D19 PolarHBondContact O-N 3.01Å; D19-L21 PolarHBondContact O-N 2.94Å | ||
| 20 | S | 31.9 | Very low | 36.4 | Very low | 115 Ų | 115 | 157.6 Ų | 157.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -72 | 76.8 | 173.8 | 43.9 | 0 | 0 | 0 | 0 | 109 | S18 S22 | S18-S20 PolarHBondContact O-N 2.87Å; S18-S20 VanDerWaalsContact O-N 3.15Å; S20-S22 PolarHBondContact O-N 3.45Å | ||
| 21 | L | 33.8 | Very low | 38.9 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -46.9 | 108.5 | 175.2 | -77.7 | 169.3 | 0 | 0 | 0 | 109.8 | D19 R23 | D19-L21 PolarHBondContact O-N 2.94Å; L21-R23 PolarHBondContact O-N 3.46Å | ||
| 22 | S | 33.1 | Very low | 41.3 | Very low | 101 Ų | 101 | 146.6 Ų | 146.6 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -49.7 | 114.3 | 176.7 | -76 | 0 | 0 | 0 | 0 | 109.4 | S20 H24 | S20-S22 PolarHBondContact O-N 3.45Å; S22-H24 PolarHBondContact O-N 2.72Å; S22-H24 PolarHBondContact O-ND1 3.35Å | ||
| 23 | R | 31.8 | Very low | 43.8 | Very low | 243 Ų | 243 | 145.7 Ų | 145.7 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | trans | -49.1 | 116 | 174.9 | -74.1 | -177.6 | -178.8 | 177.4 | 1.4 | 107.8 | L21 A25 | L21-R23 PolarHBondContact O-N 3.46Å; R23-A25 PolarHBondContact O-N 2.83Å | ||
| 24 | H | 31.8 | Very low | 46.4 | Very low | 165 Ų | 165 | 136 Ų | 136 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | trans | -63.8 | 100.9 | -178.5 | -70 | 16.6 | 0 | 0 | 0 | 108.3 | S22 Y26 | S22-H24 PolarHBondContact O-N 2.72Å; S22-H24 PolarHBondContact O-ND1 3.35Å; H24-Y26 PolarHBondContact O-N 3.13Å | ||
| 25 | A | 32 | Very low | 49.4 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | trans | -66 | 103.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | R23 | R23-A25 PolarHBondContact O-N 2.83Š| ||
| 26 | Y | 30.6 | Very low | 52.3 | Low | 216 Ų | 216 | 126 Ų | 126 | 85% | 0.847 | 65% | 0.651 | S | S | * | * | trans | -47.1 | 129.7 | 169.1 | -65.6 | -87.7 | 0 | 0 | 0 | 108.6 | H24 Q28 | H24-Y26 PolarHBondContact O-N 3.13Å; Y26-Q28 PolarHBondContact O-N 3.26Å | ||
| 27 | P | 40.8 | Very low | 55.1 | Low | 116 Ų | 116 | 120.9 Ų | 120.9 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | trans | -62.2 | 112.1 | 177.4 | 24.9 | -31.9 | 0 | 0 | 0 | 107.8 | Q29 | P27-Q29 PolarHBondContact O-N 3.08Š| ||
| 28 | Q | 40.3 | Very low | 58.1 | Low | 171 Ų | 171 | 120.1 Ų | 120.1 | 80% | 0.799 | 61% | 0.612 | S | S | * | * | trans | -50.7 | 138.1 | 165.9 | -76.4 | -175.4 | -12.6 | 0 | 0 | 107.6 | Y26 Y30 | Y26-Q28 PolarHBondContact O-N 3.26Å; Q28-Y30 PolarHBondContact O-N 2.79Å | ||
| 29 | Q | 53.2 | Low | 61.2 | Low | 123 Ų | 123 | 115.5 Ų | 115.5 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | trans | -55.6 | 114.8 | 171.1 | -68.1 | 171.9 | -5.6 | 0 | 0 | 106.7 | P27 I31 | P27-Q29 PolarHBondContact O-N 3.08Å; Q29-I31 VanDerWaalsContact C-N 3.29Å; Q29-I31 HydrophobicContact CB-CG1 4.49Å; Q29-I31 PolarHBondContact O-N 2.97Å | ||
| 30 | Y | 63.3 | Low | 64.3 | Low | 154 Ų | 154 | 112.3 Ų | 112.3 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | trans | -63.7 | 93.9 | -179.2 | -88.4 | -101.1 | 0 | 0 | 0 | 108.1 | Q28 R241 | Q28-Y30 PolarHBondContact O-N 2.79Å; Y30-R241 PolarHBondContact OH-NH2 2.83Å; Y30-R241 VanDerWaalsContact OH-NH2 3.08Å | ||
| 31 | I | 82.1 | Confident | 67.2 | Low | 76 Ų | 76 | 107.2 Ų | 107.2 | 39% | 0.39 | 53% | 0.526 | S | S | . | . | trans | -108.7 | 106.5 | 173.2 | -65.8 | 171.9 | 0 | 0 | 0 | 105.2 | Q29 K51 Q52 F58 | Q29-I31 VanDerWaalsContact C-N 3.29Å; Q29-I31 HydrophobicContact CB-CG1 4.49Å; Q29-I31 PolarHBondContact O-N 2.97Å; I31-K51 HydrophobicContact CG2-CB 3.85Å; I31-K51 HydrophobicContact CG2-CD 3.92Å; I31-K51 HydrophobicContact CG2-CG 4.28Å; I31-Q52 VanDerWaalsContact CA-O 3.32Å; I31-Q52 WeakPolarHBondContact CA-O 3.47Å; I31-F58 HydrophobicContact CG2-CE1 3.99Å; I31-F58 HydrophobicContact CG2-CZ 3.83Å | ||
| 32 | Q | 87.9 | Confident | 69.9 | Low | 124 Ų | 124 | 105.7 Ų | 105.7 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 137.6 | 176.4 | -173.1 | 169 | -6.1 | 0 | 0 | 109.2 | L34 K51 Q52 | Q32-L34 HydrophobicContact CG-CD2 4.17Å; Q32-K51 CarbonylContact O-C 3.54Å; Q32-K51 WeakPolarHBondContact O-CA 3.15Å; Q32-Q52 HydrophobicContact CB-CB 4.49Å; Q32-Q52 PolarHBondContact N-O 3.5Å; Q32-Q52 PolarHBondContact O-N 2.98Å |
| 33 | E | 91.7 | Very high | 72.5 | Confident | 106 Ų | 106 | 107.2 Ų | 107.2 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.3 | 166.9 | -167 | 166.4 | 113.2 | 0 | 0 | 108 | K51 | E33-K51 HydrophobicContact CG-CG 4.49Å; E33-K51 IonicContact OE2-NZ 3.68Å; E33-K51 PolarHBondContact OE2-NZ 3.11Å |
| 34 | L | 91.7 | Very high | 75.4 | Confident | 41 Ų | 41 | 96.7 Ų | 96.7 | 22% | 0.215 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -40.2 | 179.7 | -60.9 | -176.4 | 0 | 0 | 0 | 110.9 | Q32 V50 Q52 R57 Y198 | Q32-L34 HydrophobicContact CG-CD2 4.17Å; L34-V50 HydrophobicContact CB-CB 4.49Å; L34-V50 HydrophobicContact CB-CG1 4.2Å; L34-V50 HydrophobicContact CD1-CG1 4.2Å; L34-V50 PolarHBondContact N-O 3.08Å; L34-Q52 HydrophobicContact CD1-CB 4.06Å; L34-Q52 HydrophobicContact CD2-CB 4.34Å; L34-Q52 HydrophobicContact CG-CB 4.2Å; L34-R57 HydrophobicContact CD1-CG 4.17Å; L34-Y198 HydrophobicContact CB-CD1 4.04Å; L34-Y198 HydrophobicContact CB-CE1 3.88Å; L34-Y198 HydrophobicContact CD1-CD1 4.15Å; L34-Y198 PolarHBondContact O-OH 3.32Å |
| 35 | A | 95.2 | Very high | 78.3 | Confident | 17 Ų | 17 | 92.5 Ų | 92.5 | 14% | 0.14 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 157.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D49 V50 L194 Y198 | A35-D49 CarbonylContact O-C 3.6Å; A35-D49 WeakPolarHBondContact O-CA 3.21Å; A35-V50 HydrophobicContact CB-CB 4.43Å; A35-V50 PolarHBondContact N-O 3.08Å; A35-V50 PolarHBondContact O-N 2.89Å; A35-L194 HydrophobicContact CB-CD2 3.93Å; A35-Y198 HydrophobicContact CB-CD2 4.19Å; A35-Y198 HydrophobicContact CB-CE2 3.37Å |
| 36 | S | 95.5 | Very high | 81.4 | Confident | 56 Ų | 56 | 88.1 Ų | 88.1 | 39% | 0.392 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 125.8 | 163.2 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | L48 D49 | S36-L48 WeakPolarHBondContact CA-O 3.43Å; S36-D49 PolarHBondContact OG-OD1 3.33Å |
| 37 | K | 96.2 | Very high | 84.6 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 22% | 0.217 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.7 | 170.5 | -71 | -174.6 | -172.5 | 169.2 | 0 | 110 | L48 L194 D197 | K37-L48 PolarHBondContact N-O 3.37Å; K37-L48 PolarHBondContact O-N 2.7Å; K37-L194 HydrophobicContact CB-CD1 4.36Å; K37-L194 HydrophobicContact CD-CD1 4.45Å; K37-L194 HydrophobicContact CD-CD2 3.85Å; K37-L194 HydrophobicContact CD-CG 3.92Å; K37-L194 HydrophobicContact CG-CD2 4.03Å; K37-L194 HydrophobicContact CG-CG 4.38Å; K37-D197 IonicContact NZ-OD2 3.08Å; K37-D197 PolarHBondContact NZ-OD2 2.96Å |
| 38 | R | 96.2 | Very high | 87.2 | Confident | 157 Ų | 157 | 75.9 Ų | 75.9 | 59% | 0.592 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.6 | 179.5 | -170.7 | -171.8 | 77.1 | -151.7 | -4.4 | 110.2 | D40 F46 Y47 | R38-D40 VanDerWaalsContact CD-OD1 3.25Å; R38-D40 WeakPolarHBondContact CD-OD1 3.5Å; R38-D40 WeakPolarHBondContact CG-OD1 3.31Å; R38-D40 IonicContact NE-OD1 3.95Å; R38-D40 PolarHBondContact NE-OD1 3.17Å; R38-D40 IonicContact NE-OD2 2.87Å; R38-F46 CarbonylContact C-O 3.57Å; R38-F46 WeakPolarHBondContact CA-O 3.49Å; R38-Y47 HydrophobicContact CB-CD1 4.36Å; R38-Y47 HydrophobicContact CB-CE1 4.41Å; R38-Y47 HydrophobicContact CG-CD1 4.12Å; R38-Y47 HydrophobicContact CG-CE1 3.86Å |
| 39 | V | 96.4 | Very high | 89.9 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 9% | 0.085 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 112.8 | 173.5 | -168 | 0 | 0 | 0 | 0 | 108.4 | I41 F46 L48 E186 A190 | V39-I41 HydrophobicContact CG1-CD1 3.95Å; V39-I41 HydrophobicContact CG1-CG1 3.8Å; V39-F46 HydrophobicContact CB-CB 4.45Å; V39-F46 PolarHBondContact N-O 3.17Å; V39-F46 PolarHBondContact O-N 3.12Å; V39-L48 HydrophobicContact CG2-CD1 4.11Å; V39-E186 HydrophobicContact CG1-CB 3.9Å; V39-A190 HydrophobicContact CG2-CB 3.63Å |
| 40 | D | 94.7 | Very high | 91.9 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 116.3 | 177.4 | -78.3 | 26.6 | 0 | 0 | 0 | 108.4 | R38 K44 R45 | R38-D40 VanDerWaalsContact CD-OD1 3.25Å; R38-D40 WeakPolarHBondContact CD-OD1 3.5Å; R38-D40 WeakPolarHBondContact CG-OD1 3.31Å; R38-D40 IonicContact NE-OD1 3.95Å; R38-D40 PolarHBondContact NE-OD1 3.17Å; R38-D40 IonicContact NE-OD2 2.87Å; D40-K44 CarbonylContact C-O 3.51Å; D40-R45 VanDerWaalsContact OD1-CG 3.31Å; D40-R45 WeakPolarHBondContact OD1-CG 3.44Å; D40-R45 IonicContact OD1-NE 3.73Å; D40-R45 PolarHBondContact OD1-NE 3.49Å; D40-R45 IonicContact OD2-CZ 3.8Å; D40-R45 IonicContact OD2-NE 2.8Å; D40-R45 PolarHBondContact OD2-NE 3.01Å; D40-R45 IonicContact OD2-NH2 3.46Å; D40-R45 PolarHBondContact OD2-NH2 3.28Å; D40-R45 VanDerWaalsContact OD2-NH2 3.08Å |
| 41 | I | 93.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 113.4 | -176.7 | -51.6 | 170.8 | 0 | 0 | 0 | 108.9 | V39 K43 K44 F46 P180 G183 | V39-I41 HydrophobicContact CG1-CD1 3.95Å; V39-I41 HydrophobicContact CG1-CG1 3.8Å; I41-K43 PolarHBondContact O-N 2.89Å; I41-K43 VanDerWaalsContact O-N 3.11Å; I41-K44 PolarHBondContact N-O 2.91Å; I41-K44 WeakPolarHBondContact O-CB 3.46Å; I41-K44 PolarHBondContact O-N 2.9Å; I41-F46 HydrophobicContact CB-CD2 4.45Å; I41-F46 HydrophobicContact CB-CE2 4.17Å; I41-F46 HydrophobicContact CD1-CD2 3.74Å; I41-F46 HydrophobicContact CD1-CE2 3.81Å; I41-F46 HydrophobicContact CG1-CD2 4.14Å; I41-F46 HydrophobicContact CG1-CE2 4.27Å; I41-P180 HydrophobicContact CG2-CB 3.85Å; I41-P180 HydrophobicContact CG2-CG 3.74Å; I41-G183 WeakPolarHBondContact CD1-O 3.29Å |
| 42 | Q | 89.8 | Confident | 93.7 | Very high | 119 Ų | 119 | 55.2 Ų | 55.2 | 56% | 0.556 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | -112 | -175.2 | -58.2 | 177.3 | -4.8 | 0 | 0 | 112.3 | P180 | Q42-P180 HydrophobicContact CG-CB 4.33Å; Q42-P180 HydrophobicContact CG-CG 4.42Å |
| 43 | K | 88.3 | Confident | 93.5 | Very high | 132 Ų | 132 | 51.1 Ų | 51.1 | 57% | 0.574 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 20 | 179.1 | -63.7 | -179.2 | -179.9 | 179.1 | 0 | 112.3 | I41 W65 I66 | I41-K43 PolarHBondContact O-N 2.89Å; I41-K43 VanDerWaalsContact O-N 3.11Å; K43-W65 HydrophobicContact CB-CD2 4.37Å; K43-W65 HydrophobicContact CB-CE3 4.36Å; K43-W65 HydrophobicContact CB-CH2 3.57Å; K43-W65 HydrophobicContact CB-CZ2 3.61Å; K43-W65 HydrophobicContact CB-CZ3 3.97Å; K43-W65 HydrophobicContact CD-CH2 4.11Å; K43-W65 HydrophobicContact CD-CZ2 3.79Å; K43-W65 HydrophobicContact CG-CH2 4.39Å; K43-W65 HydrophobicContact CG-CZ2 4.32Å; K43-I66 PolarHBondContact O-N 2.83Å |
| 44 | K | 91.4 | Very high | 92.9 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 10% | 0.096 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147.5 | -179.7 | -62.6 | -174.3 | -178.9 | -161 | 0 | 111.6 | D40 I41 F46 E63 V64 W65 V178 P180 | D40-K44 CarbonylContact C-O 3.51Å; I41-K44 PolarHBondContact N-O 2.91Å; I41-K44 WeakPolarHBondContact O-CB 3.46Å; I41-K44 PolarHBondContact O-N 2.9Å; K44-F46 HydrophobicContact CB-CD2 4.45Å; K44-F46 HydrophobicContact CB-CE2 3.71Å; K44-F46 HydrophobicContact CB-CZ 4.17Å; K44-F46 HydrophobicContact CD-CE2 4.14Å; K44-F46 HydrophobicContact CD-CZ 3.82Å; K44-E63 HydrophobicContact CD-CG 4.12Å; K44-E63 WeakPolarHBondContact CD-OE1 3.26Å; K44-E63 VanDerWaalsContact CE-OE1 3.25Å; K44-E63 WeakPolarHBondContact CE-OE1 3.38Å; K44-E63 IonicContact NZ-OE1 2.88Å; K44-E63 PolarHBondContact NZ-OE1 3.4Å; K44-E63 IonicContact NZ-OE2 3.65Å; K44-V64 CarbonylContact C-O 3.58Å; K44-V64 VanDerWaalsContact CA-O 3.29Å; K44-V64 WeakPolarHBondContact CA-O 3.03Å; K44-W65 HydrophobicContact CD-CE3 4.37Å; K44-W65 HydrophobicContact CD-CZ3 4.48Å; K44-W65 HydrophobicContact CG-CE3 3.62Å; K44-W65 HydrophobicContact CG-CZ3 3.89Å; K44-V178 PolarHBondContact NZ-O 3.34Å; K44-P180 HydrophobicContact CD-CG 4.43Å |
| 45 | R | 94.3 | Very high | 92.2 | Very high | 78 Ų | 78 | 54.5 Ų | 54.5 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.5 | 162.8 | -54.8 | -168.5 | 152.7 | 126 | 8.8 | 109.2 | D40 Y47 E63 V64 I66 | D40-R45 VanDerWaalsContact OD1-CG 3.31Å; D40-R45 WeakPolarHBondContact OD1-CG 3.44Å; D40-R45 IonicContact OD1-NE 3.73Å; D40-R45 PolarHBondContact OD1-NE 3.49Å; D40-R45 IonicContact OD2-CZ 3.8Å; D40-R45 IonicContact OD2-NE 2.8Å; D40-R45 PolarHBondContact OD2-NE 3.01Å; D40-R45 IonicContact OD2-NH2 3.46Å; D40-R45 PolarHBondContact OD2-NH2 3.28Å; D40-R45 VanDerWaalsContact OD2-NH2 3.08Å; R45-Y47 HydrophobicContact CB-CD2 4.39Å; R45-Y47 HydrophobicContact CB-CE2 3.72Å; R45-Y47 WeakPolarHBondContact CD-OH 3.27Å; R45-E63 WeakPolarHBondContact O-CA 3.46Å; R45-V64 PolarHBondContact N-O 3.07Å; R45-V64 PolarHBondContact O-N 2.81Å; R45-I66 HydrophobicContact CG-CD1 3.39Å; R45-I66 HydrophobicContact CG-CG1 3.71Å |
| 46 | F | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.7 | 168.8 | -63 | -90.3 | 0 | 0 | 0 | 108.2 | R38 V39 I41 K44 L48 A62 E63 L179 F187 | R38-F46 CarbonylContact C-O 3.57Å; R38-F46 WeakPolarHBondContact CA-O 3.49Å; V39-F46 HydrophobicContact CB-CB 4.45Å; V39-F46 PolarHBondContact N-O 3.17Å; V39-F46 PolarHBondContact O-N 3.12Å; I41-F46 HydrophobicContact CB-CD2 4.45Å; I41-F46 HydrophobicContact CB-CE2 4.17Å; I41-F46 HydrophobicContact CD1-CD2 3.74Å; I41-F46 HydrophobicContact CD1-CE2 3.81Å; I41-F46 HydrophobicContact CG1-CD2 4.14Å; I41-F46 HydrophobicContact CG1-CE2 4.27Å; K44-F46 HydrophobicContact CB-CD2 4.45Å; K44-F46 HydrophobicContact CB-CE2 3.71Å; K44-F46 HydrophobicContact CB-CZ 4.17Å; K44-F46 HydrophobicContact CD-CE2 4.14Å; K44-F46 HydrophobicContact CD-CZ 3.82Å; F46-L48 HydrophobicContact CB-CD1 4.01Å; F46-A62 CarbonylContact C-O 3.58Å; F46-A62 VanDerWaalsContact CA-O 3.31Å; F46-A62 WeakPolarHBondContact CA-O 3.46Å; F46-E63 HydrophobicContact CD1-CB 4.03Å; F46-E63 HydrophobicContact CD1-CG 4.33Å; F46-E63 HydrophobicContact CE1-CB 3.74Å; F46-E63 HydrophobicContact CE1-CG 3.67Å; F46-E63 HydrophobicContact CZ-CG 3.97Å; F46-L179 HydrophobicContact CE1-CD1 4.49Å; F46-L179 HydrophobicContact CE1-CG 4.06Å; F46-L179 HydrophobicContact CZ-CB 4.46Å; F46-L179 HydrophobicContact CZ-CG 4.16Å; F46-F187 HydrophobicContact CB-CD2 4.27Å; F46-F187 HydrophobicContact CB-CE2 3.95Å; F46-F187 HydrophobicContact CD1-CE2 4.06Å; F46-F187 HydrophobicContact CG-CD2 4.32Å; F46-F187 HydrophobicContact CG-CE2 4.04Å |
| 47 | Y | 96.9 | Very high | 91.5 | Very high | 75 Ų | 75 | 55 Ų | 55 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.6 | 171.6 | -60.3 | -93.8 | 0 | 0 | 0 | 107.8 | R38 R45 I61 A62 V64 | R38-Y47 HydrophobicContact CB-CD1 4.36Å; R38-Y47 HydrophobicContact CB-CE1 4.41Å; R38-Y47 HydrophobicContact CG-CD1 4.12Å; R38-Y47 HydrophobicContact CG-CE1 3.86Å; R45-Y47 HydrophobicContact CB-CD2 4.39Å; R45-Y47 HydrophobicContact CB-CE2 3.72Å; R45-Y47 WeakPolarHBondContact CD-OH 3.27Å; Y47-I61 CarbonylContact O-C 3.48Å; Y47-I61 VanDerWaalsContact O-CA 3.29Å; Y47-I61 WeakPolarHBondContact O-CA 3.38Å; Y47-A62 PolarHBondContact N-O 3.49Å; Y47-A62 PolarHBondContact O-N 2.78Å; Y47-V64 HydrophobicContact CD2-CG2 4.19Å; Y47-V64 HydrophobicContact CE2-CB 4.39Å; Y47-V64 HydrophobicContact CE2-CG2 3.93Å |
| 48 | L | 97.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 92.6 | 179.5 | -75.7 | 77.3 | 0 | 0 | 0 | 107.2 | S36 K37 V39 F46 L59 I61 F187 L191 L194 | S36-L48 WeakPolarHBondContact CA-O 3.43Å; K37-L48 PolarHBondContact N-O 3.37Å; K37-L48 PolarHBondContact O-N 2.7Å; V39-L48 HydrophobicContact CG2-CD1 4.11Å; F46-L48 HydrophobicContact CB-CD1 4.01Å; L48-L59 HydrophobicContact CB-CD1 4Å; L48-I61 HydrophobicContact CD1-CG2 4.43Å; L48-I61 HydrophobicContact CG-CG2 4.4Å; L48-F187 HydrophobicContact CD1-CD2 4.26Å; L48-F187 HydrophobicContact CD1-CE2 3.82Å; L48-F187 HydrophobicContact CD1-CZ 4.39Å; L48-F187 HydrophobicContact CD2-CE2 4.42Å; L48-F187 HydrophobicContact CD2-CZ 4.31Å; L48-F187 HydrophobicContact CG-CE2 4.42Å; L48-L191 HydrophobicContact CD2-CB 4.45Å; L48-L194 HydrophobicContact CB-CD1 3.69Å; L48-L194 HydrophobicContact CD2-CD1 4.14Å |
| 49 | D | 96.4 | Very high | 91.3 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.059 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 113.9 | -179 | -44.8 | -36 | 0 | 0 | 0 | 109.6 | A35 S36 K51 K60 | A35-D49 CarbonylContact O-C 3.6Å; A35-D49 WeakPolarHBondContact O-CA 3.21Å; S36-D49 PolarHBondContact OG-OD1 3.33Å; D49-K51 HydrophobicContact CB-CD 4.31Å; D49-K51 HydrophobicContact CB-CG 4.19Å; D49-K60 HydrophobicContact CB-CB 4.37Å; D49-K60 PolarHBondContact N-O 2.97Å; D49-K60 PolarHBondContact O-N 2.9Å; D49-K60 IonicContact OD2-NZ 2.83Å; D49-K60 PolarHBondContact OD2-NZ 3.5Å |
| 50 | V | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 125.2 | 166.3 | -179 | 0 | 0 | 0 | 0 | 108.1 | L34 A35 L59 M83 L194 Y198 | L34-V50 HydrophobicContact CB-CB 4.49Å; L34-V50 HydrophobicContact CB-CG1 4.2Å; L34-V50 HydrophobicContact CD1-CG1 4.2Å; L34-V50 PolarHBondContact N-O 3.08Å; A35-V50 HydrophobicContact CB-CB 4.43Å; A35-V50 PolarHBondContact N-O 3.08Å; A35-V50 PolarHBondContact O-N 2.89Å; V50-L59 HydrophobicContact CG2-CD1 4.14Å; V50-M83 HydrophobicContact CG1-CG 4.36Å; V50-M83 HydrophobicContact CG1-SD 4.04Å; V50-M83 HydrophobicContact CG2-CE 4.46Å; V50-M83 HydrophobicContact CG2-SD 4.06Å; V50-L194 HydrophobicContact CG2-CB 4.06Å; V50-L194 HydrophobicContact CG2-CD1 4.09Å; V50-L194 HydrophobicContact CG2-CD2 3.83Å; V50-L194 HydrophobicContact CG2-CG 4.2Å; V50-Y198 HydrophobicContact CB-CD2 4.46Å; V50-Y198 HydrophobicContact CG1-CD2 4.4Å; V50-Y198 HydrophobicContact CG1-CG 4.08Å; V50-Y198 HydrophobicContact CG2-CD2 4.29Å |
| 51 | K | 94 | Very high | 91.3 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 11% | 0.109 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142.8 | -174.5 | -66.6 | -179.5 | 178 | -64 | 0 | 110.8 | I31 Q32 E33 D49 R57 F58 K60 | I31-K51 HydrophobicContact CG2-CB 3.85Å; I31-K51 HydrophobicContact CG2-CD 3.92Å; I31-K51 HydrophobicContact CG2-CG 4.28Å; Q32-K51 CarbonylContact O-C 3.54Å; Q32-K51 WeakPolarHBondContact O-CA 3.15Å; E33-K51 HydrophobicContact CG-CG 4.49Å; E33-K51 IonicContact OE2-NZ 3.68Å; E33-K51 PolarHBondContact OE2-NZ 3.11Å; D49-K51 HydrophobicContact CB-CD 4.31Å; D49-K51 HydrophobicContact CB-CG 4.19Å; K51-R57 CarbonylContact O-C 3.59Å; K51-R57 WeakPolarHBondContact O-CA 3.34Å; K51-F58 HydrophobicContact CB-CD1 4.16Å; K51-F58 HydrophobicContact CB-CD2 4.39Å; K51-F58 HydrophobicContact CB-CE1 3.6Å; K51-F58 HydrophobicContact CB-CE2 3.9Å; K51-F58 HydrophobicContact CB-CZ 3.47Å; K51-F58 VanDerWaalsContact CB-CZ 3.47Å; K51-F58 HydrophobicContact CD-CE2 4.02Å; K51-F58 HydrophobicContact CD-CZ 3.87Å; K51-F58 HydrophobicContact CG-CE2 4.48Å; K51-F58 HydrophobicContact CG-CZ 4.29Å; K51-F58 PolarHBondContact N-O 3.4Å; K51-F58 VanDerWaalsContact O-CD1 3.28Å; K51-F58 WeakPolarHBondContact O-CD1 3.5Å; K51-F58 PolarHBondContact O-N 2.99Å; K51-K60 HydrophobicContact CD-CD 4.29Å |
| 52 | Q | 88.6 | Confident | 91.3 | Very high | 55 Ų | 55 | 46.7 Ų | 46.7 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.5 | 173.6 | -155.3 | 165.4 | 20.4 | 0 | 0 | 110 | I31 Q32 L34 R57 E201 | I31-Q52 VanDerWaalsContact CA-O 3.32Å; I31-Q52 WeakPolarHBondContact CA-O 3.47Å; Q32-Q52 HydrophobicContact CB-CB 4.49Å; Q32-Q52 PolarHBondContact N-O 3.5Å; Q32-Q52 PolarHBondContact O-N 2.98Å; L34-Q52 HydrophobicContact CD1-CB 4.06Å; L34-Q52 HydrophobicContact CD2-CB 4.34Å; L34-Q52 HydrophobicContact CG-CB 4.2Å; Q52-R57 HydrophobicContact CG-CG 4.08Å; Q52-E201 PolarHBondContact NE2-OE1 2.85Å; Q52-E201 PolarHBondContact NE2-OE2 2.87Å; Q52-E201 VanDerWaalsContact NE2-OE2 3.16Å |
| 53 | S | 83.8 | Confident | 91.5 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 27% | 0.266 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 169.2 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | R55 G56 | S53-R55 PolarHBondContact O-N 3Å; S53-G56 PolarHBondContact N-O 3.37Å; S53-G56 PolarHBondContact O-N 3.18Å |
| 54 | V | 78.4 | Confident | 91.6 | Very high | 52 Ų | 52 | 37.2 Ų | 37.2 | 32% | 0.315 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -9.7 | 170.2 | -59.5 | 0 | 0 | 0 | 0 | 114 | F245 | V54-F245 HydrophobicContact CG1-CE1 4.41Å; V54-F245 HydrophobicContact CG1-CZ 3.96Å |
| 55 | R | 76.8 | Confident | 91.3 | Very high | 166 Ų | 166 | 39.9 Ų | 39.9 | 63% | 0.626 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 21 | 172.9 | -68.5 | -177.2 | 53.8 | 148.9 | 1.9 | 113.3 | S53 D236 | S53-R55 PolarHBondContact O-N 3Å; R55-D236 IonicContact NH1-OD1 3.55Å |
| 56 | G | 84.4 | Confident | 90.7 | Very high | 32 Ų | 32 | 39.4 Ų | 39.4 | 33% | 0.33 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 86.7 | -172 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S53 | S53-G56 PolarHBondContact N-O 3.37Å; S53-G56 PolarHBondContact O-N 3.18Å |
| 57 | R | 91.6 | Very high | 89.5 | Confident | 52 Ų | 52 | 40.5 Ų | 40.5 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 141 | -176.6 | -56.8 | 177.3 | -174.4 | -178.1 | -1 | 111.8 | L34 K51 Q52 M83 Y198 E201 | L34-R57 HydrophobicContact CD1-CG 4.17Å; K51-R57 CarbonylContact O-C 3.59Å; K51-R57 WeakPolarHBondContact O-CA 3.34Å; Q52-R57 HydrophobicContact CG-CG 4.08Å; R57-M83 HydrophobicContact CB-CB 4.03Å; R57-M83 HydrophobicContact CB-CG 3.58Å; R57-M83 PolarHBondContact O-N 3.36Å; R57-M83 VanDerWaalsContact O-N 3.14Å; R57-Y198 WeakPolarHBondContact CD-O 3.38Å; R57-Y198 VanDerWaalsContact NH1-C 3.35Å; R57-Y198 PolarHBondContact NH1-O 3.13Å; R57-E201 WeakPolarHBondContact CG-OE2 3.42Å; R57-E201 IonicContact CZ-OE1 2.67Å; R57-E201 IonicContact CZ-OE2 3.36Å; R57-E201 IonicContact NE-OE1 2.75Å; R57-E201 PolarHBondContact NE-OE1 2.82Å; R57-E201 IonicContact NE-OE2 2.77Å; R57-E201 PolarHBondContact NE-OE2 2.84Å; R57-E201 IonicContact NH2-OE1 2.66Å; R57-E201 PolarHBondContact NH2-OE1 2.91Å; R57-E201 IonicContact NH2-OE2 2.7Å |
| 58 | F | 93.5 | Very high | 87.7 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148.8 | 177.5 | 70.6 | -86.5 | 0 | 0 | 0 | 111.7 | I31 K51 K60 T80 L81 | I31-F58 HydrophobicContact CG2-CE1 3.99Å; I31-F58 HydrophobicContact CG2-CZ 3.83Å; K51-F58 HydrophobicContact CB-CD1 4.16Å; K51-F58 HydrophobicContact CB-CD2 4.39Å; K51-F58 HydrophobicContact CB-CE1 3.6Å; K51-F58 HydrophobicContact CB-CE2 3.9Å; K51-F58 HydrophobicContact CB-CZ 3.47Å; K51-F58 VanDerWaalsContact CB-CZ 3.47Å; K51-F58 HydrophobicContact CD-CE2 4.02Å; K51-F58 HydrophobicContact CD-CZ 3.87Å; K51-F58 HydrophobicContact CG-CE2 4.48Å; K51-F58 HydrophobicContact CG-CZ 4.29Å; K51-F58 PolarHBondContact N-O 3.4Å; K51-F58 VanDerWaalsContact O-CD1 3.28Å; K51-F58 WeakPolarHBondContact O-CD1 3.5Å; K51-F58 PolarHBondContact O-N 2.99Å; F58-K60 HydrophobicContact CD2-CB 4.46Å; F58-K60 HydrophobicContact CE2-CB 4.19Å; F58-T80 HydrophobicContact CD2-CG2 3.5Å; F58-T80 VanDerWaalsContact CD2-CG2 3.5Å; F58-T80 HydrophobicContact CE2-CG2 3.94Å; F58-T80 HydrophobicContact CG-CG2 4.44Å; F58-L81 WeakPolarHBondContact CA-O 3.49Å; F58-L81 WeakPolarHBondContact CB-O 3.48Å |
| 59 | L | 95.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.8 | 174.3 | 176.3 | 61.2 | 0 | 0 | 0 | 109.6 | L48 V50 I61 T80 L81 M83 L191 L194 | L48-L59 HydrophobicContact CB-CD1 4Å; V50-L59 HydrophobicContact CG2-CD1 4.14Å; L59-I61 HydrophobicContact CD2-CD1 4.09Å; L59-I61 HydrophobicContact CD2-CG1 4.23Å; L59-I61 HydrophobicContact CG-CD1 4.36Å; L59-I61 HydrophobicContact CG-CG1 3.95Å; L59-T80 WeakPolarHBondContact O-CA 3.47Å; L59-L81 HydrophobicContact CB-CD2 4.01Å; L59-L81 HydrophobicContact CB-CG 4.08Å; L59-L81 HydrophobicContact CD2-CD2 4.06Å; L59-L81 HydrophobicContact CG-CD2 4.02Å; L59-L81 PolarHBondContact N-O 2.92Å; L59-L81 PolarHBondContact O-N 2.97Å; L59-M83 HydrophobicContact CB-SD 3.86Å; L59-L191 HydrophobicContact CD2-CD1 3.32Å; L59-L194 HydrophobicContact CD1-CD1 4.31Å |
| 60 | K | 95.4 | Very high | 83.6 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122 | 174 | 174.4 | -169.6 | 156.9 | -121.6 | 0 | 108.6 | D49 K51 F58 | D49-K60 HydrophobicContact CB-CB 4.37Å; D49-K60 PolarHBondContact N-O 2.97Å; D49-K60 PolarHBondContact O-N 2.9Å; D49-K60 IonicContact OD2-NZ 2.83Å; D49-K60 PolarHBondContact OD2-NZ 3.5Å; K51-K60 HydrophobicContact CD-CD 4.29Å; F58-K60 HydrophobicContact CD2-CB 4.46Å; F58-K60 HydrophobicContact CE2-CB 4.19Å |
| 61 | I | 95.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.5 | -179.4 | -44.4 | -173.1 | 0 | 0 | 0 | 108.6 | Y47 L48 L59 K78 L79 L81 L89 I177 F187 | Y47-I61 CarbonylContact O-C 3.48Å; Y47-I61 VanDerWaalsContact O-CA 3.29Å; Y47-I61 WeakPolarHBondContact O-CA 3.38Å; L48-I61 HydrophobicContact CD1-CG2 4.43Å; L48-I61 HydrophobicContact CG-CG2 4.4Å; L59-I61 HydrophobicContact CD2-CD1 4.09Å; L59-I61 HydrophobicContact CD2-CG1 4.23Å; L59-I61 HydrophobicContact CG-CD1 4.36Å; L59-I61 HydrophobicContact CG-CG1 3.95Å; I61-K78 CarbonylContact O-C 3.6Å; I61-K78 VanDerWaalsContact O-CA 3.27Å; I61-K78 WeakPolarHBondContact O-CA 3.49Å; I61-L79 HydrophobicContact CB-CB 4.32Å; I61-L79 PolarHBondContact N-O 3.18Å; I61-L79 PolarHBondContact O-N 2.8Å; I61-L81 HydrophobicContact CD1-CD2 3.8Å; I61-L81 HydrophobicContact CG1-CD2 4.05Å; I61-L89 HydrophobicContact CD1-CD2 4.41Å; I61-I177 HydrophobicContact CB-CD1 4.11Å; I61-I177 HydrophobicContact CD1-CD1 4.34Å; I61-I177 HydrophobicContact CG2-CD1 3.7Å; I61-F187 HydrophobicContact CD1-CE1 4.35Å; I61-F187 HydrophobicContact CD1-CZ 3.79Å; I61-F187 HydrophobicContact CG2-CE2 4.07Å; I61-F187 HydrophobicContact CG2-CZ 3.89Å |
| 62 | A | 94.2 | Very high | 79.3 | Confident | 19 Ų | 19 | 74.7 Ų | 74.7 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F46 Y47 S77 | F46-A62 CarbonylContact C-O 3.58Å; F46-A62 VanDerWaalsContact CA-O 3.31Å; F46-A62 WeakPolarHBondContact CA-O 3.46Å; Y47-A62 PolarHBondContact N-O 3.49Å; Y47-A62 PolarHBondContact O-N 2.78Å; A62-S77 WeakPolarHBondContact CA-O 3.4Å |
| 63 | E | 92.5 | Very high | 77.5 | Confident | 18 Ų | 18 | 77.1 Ų | 77.1 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.8 | 175.7 | 176.7 | -169.8 | 153.8 | 0 | 0 | 110.3 | K44 R45 F46 K76 S77 I177 V178 | K44-E63 HydrophobicContact CD-CG 4.12Å; K44-E63 WeakPolarHBondContact CD-OE1 3.26Å; K44-E63 VanDerWaalsContact CE-OE1 3.25Å; K44-E63 WeakPolarHBondContact CE-OE1 3.38Å; K44-E63 IonicContact NZ-OE1 2.88Å; K44-E63 PolarHBondContact NZ-OE1 3.4Å; K44-E63 IonicContact NZ-OE2 3.65Å; R45-E63 WeakPolarHBondContact O-CA 3.46Å; F46-E63 HydrophobicContact CD1-CB 4.03Å; F46-E63 HydrophobicContact CD1-CG 4.33Å; F46-E63 HydrophobicContact CE1-CB 3.74Å; F46-E63 HydrophobicContact CE1-CG 3.67Å; F46-E63 HydrophobicContact CZ-CG 3.97Å; E63-K76 WeakPolarHBondContact O-CA 3.49Å; E63-S77 PolarHBondContact N-O 2.81Å; E63-S77 PolarHBondContact O-N 2.94Å; E63-S77 VanDerWaalsContact O-N 3.15Å; E63-I177 HydrophobicContact CB-CG2 4.07Å; E63-I177 WeakPolarHBondContact OE2-CA 3.33Å; E63-V178 PolarHBondContact OE2-N 3.01Å |
| 64 | V | 90.6 | Very high | 76.1 | Confident | 33 Ų | 33 | 79.1 Ų | 79.1 | 20% | 0.2 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128.9 | 179.2 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | K44 R45 Y47 I74 | K44-V64 CarbonylContact C-O 3.58Å; K44-V64 VanDerWaalsContact CA-O 3.29Å; K44-V64 WeakPolarHBondContact CA-O 3.03Å; R45-V64 PolarHBondContact N-O 3.07Å; R45-V64 PolarHBondContact O-N 2.81Å; Y47-V64 HydrophobicContact CD2-CG2 4.19Å; Y47-V64 HydrophobicContact CE2-CB 4.39Å; Y47-V64 HydrophobicContact CE2-CG2 3.93Å; V64-I74 HydrophobicContact CG1-CG2 4.2Å |
| 65 | W | 86.3 | Confident | 75.2 | Confident | 78 Ų | 78 | 86.2 Ų | 86.2 | 30% | 0.295 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 137.8 | 174.5 | -173.2 | -93.2 | 0 | 0 | 0 | 111.4 | K43 K44 G67 R149 | K43-W65 HydrophobicContact CB-CD2 4.37Å; K43-W65 HydrophobicContact CB-CE3 4.36Å; K43-W65 HydrophobicContact CB-CH2 3.57Å; K43-W65 HydrophobicContact CB-CZ2 3.61Å; K43-W65 HydrophobicContact CB-CZ3 3.97Å; K43-W65 HydrophobicContact CD-CH2 4.11Å; K43-W65 HydrophobicContact CD-CZ2 3.79Å; K43-W65 HydrophobicContact CG-CH2 4.39Å; K43-W65 HydrophobicContact CG-CZ2 4.32Å; K44-W65 HydrophobicContact CD-CE3 4.37Å; K44-W65 HydrophobicContact CD-CZ3 4.48Å; K44-W65 HydrophobicContact CG-CE3 3.62Å; K44-W65 HydrophobicContact CG-CZ3 3.89Å; W65-G67 VanDerWaalsContact CD1-N 3.29Å; W65-R149 VanDerWaalsContact CH2-NH2 3.34Å |
| 66 | I | 80.4 | Confident | 75 | Confident | 68 Ų | 68 | 86 Ų | 86 | 35% | 0.349 | 42% | 0.417 | S | S | . | . | trans | -110.9 | -5.3 | -172.7 | -26.5 | 165 | 0 | 0 | 0 | 113.2 | K43 R45 R68 | K43-I66 PolarHBondContact O-N 2.83Å; R45-I66 HydrophobicContact CG-CD1 3.39Å; R45-I66 HydrophobicContact CG-CG1 3.71Å; I66-R68 PolarHBondContact O-N 3.13Å | ||
| 67 | G | 71.4 | Confident | 75.1 | Confident | 24 Ų | 24 | 86.2 Ų | 86.2 | 25% | 0.247 | 41% | 0.413 | C | S | . | . | trans | -67.1 | 123.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | W65 G69 | W65-G67 VanDerWaalsContact CD1-N 3.29Å; G67-G69 PolarHBondContact O-N 2.83Å | ||
| 68 | R | 59.2 | Low | 75.1 | Confident | 258 Ų | 258 | 89.4 Ų | 89.4 | 97% | 0.974 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 132.6 | 167.4 | -62.1 | -171.4 | -175.1 | -156.7 | 3.5 | 109.2 | I66 | I66-R68 PolarHBondContact O-N 3.13Š|
| 69 | G | 56 | Low | 75 | Confident | 76 Ų | 76 | 87.6 Ų | 87.6 | 78% | 0.784 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.7 | -1.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | G67 | G67-G69 PolarHBondContact O-N 2.83Š|
| 70 | R | 52.1 | Low | 74.9 | Confident | 175 Ų | 175 | 89.1 Ų | 89.1 | 66% | 0.66 | 43% | 0.43 | S | S | * | . | trans | -133.2 | 85.6 | 163.4 | -74.2 | -164.3 | -169.3 | -176.7 | 2.8 | 110.7 | D72 | R70-D72 VanDerWaalsContact C-N 3.3Š| ||
| 71 | H | 50.8 | Low | 74.7 | Confident | 171 Ų | 171 | 86.1 Ų | 86.1 | 79% | 0.792 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -71.5 | -28.3 | 172 | -109.3 | -104.8 | 0 | 0 | 0 | 112.3 | ||
| 72 | D | 49 | Very low | 74.5 | Confident | 148 Ų | 148 | 87.4 Ų | 87.4 | 79% | 0.791 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -94.5 | -4.1 | -163.5 | -41.2 | -55.1 | 0 | 0 | 0 | 114.7 | R70 | R70-D72 VanDerWaalsContact C-N 3.3Š|
| 73 | N | 50.4 | Low | 74.4 | Confident | 107 Ų | 107 | 86.9 Ų | 86.9 | 57% | 0.572 | 42% | 0.421 | S | S | * | . | trans | -155.6 | 54.4 | -176.3 | -104.1 | -61.4 | 0 | 0 | 0 | 113.2 | R75 | N73-R75 PolarHBondContact O-N 3.16Š| ||
| 74 | I | 53.7 | Low | 74.3 | Confident | 80 Ų | 80 | 87.2 Ų | 87.2 | 41% | 0.41 | 43% | 0.425 | S | S | . | . | trans | -68.9 | 87.2 | 163.7 | -55.6 | 177.2 | 0 | 0 | 0 | 107.9 | V64 K76 | V64-I74 HydrophobicContact CG1-CG2 4.2Å; I74-K76 VanDerWaalsContact C-N 3.3Å; I74-K76 HydrophobicContact CG2-CG 4.2Å; I74-K76 PolarHBondContact O-N 2.83Å | ||
| 75 | R | 59.6 | Low | 74.3 | Confident | 201 Ų | 201 | 86 Ų | 86 | 76% | 0.758 | 42% | 0.417 | S | S | * | . | trans | -64.1 | 90.3 | 171.7 | -73.3 | -171.8 | 176.9 | -172.6 | -0.8 | 109.4 | N73 S77 | N73-R75 PolarHBondContact O-N 3.16Å; R75-S77 PolarHBondContact O-N 2.99Å; R75-S77 VanDerWaalsContact O-N 3.09Å | ||
| 76 | K | 72.8 | Confident | 74.7 | Confident | 161 Ų | 161 | 82.2 Ų | 82.2 | 70% | 0.7 | 40% | 0.403 | S | S | * | . | trans | -69.3 | 99.8 | 170 | -67.8 | -178.8 | -178.5 | 177.4 | 0 | 108.2 | E63 I74 | E63-K76 WeakPolarHBondContact O-CA 3.49Å; I74-K76 VanDerWaalsContact C-N 3.3Å; I74-K76 HydrophobicContact CG2-CG 4.2Å; I74-K76 PolarHBondContact O-N 2.83Å | ||
| 77 | S | 87 | Confident | 75.4 | Confident | 36 Ų | 36 | 82.1 Ų | 82.1 | 25% | 0.252 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 147.8 | 177.3 | -68.2 | 0 | 0 | 0 | 0 | 109.9 | A62 E63 R75 T176 | A62-S77 WeakPolarHBondContact CA-O 3.4Å; E63-S77 PolarHBondContact N-O 2.81Å; E63-S77 PolarHBondContact O-N 2.94Å; E63-S77 VanDerWaalsContact O-N 3.15Å; R75-S77 PolarHBondContact O-N 2.99Å; R75-S77 VanDerWaalsContact O-N 3.09Å; S77-T176 VanDerWaalsContact CB-O 3.28Å; S77-T176 WeakPolarHBondContact CB-O 3.46Å |
| 78 | K | 90.9 | Very high | 76.6 | Confident | 120 Ų | 120 | 83.1 Ų | 83.1 | 52% | 0.522 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 146.8 | -179.3 | 68.9 | -177.8 | -178.4 | -177.7 | 0 | 112.2 | I61 Q175 | I61-K78 CarbonylContact O-C 3.6Å; I61-K78 VanDerWaalsContact O-CA 3.27Å; I61-K78 WeakPolarHBondContact O-CA 3.49Å; K78-Q175 WeakPolarHBondContact O-CA 3.49Å; K78-Q175 VanDerWaalsContact O-CB 3.29Å; K78-Q175 WeakPolarHBondContact O-CB 3.35Å |
| 79 | L | 92.6 | Very high | 78.3 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.7 | 173.7 | -165.3 | 75 | 0 | 0 | 0 | 108.5 | I61 Y140 I155 Q157 Q175 I177 | I61-L79 HydrophobicContact CB-CB 4.32Å; I61-L79 PolarHBondContact N-O 3.18Å; I61-L79 PolarHBondContact O-N 2.8Å; L79-Y140 HydrophobicContact CD1-CD1 4.04Å; L79-Y140 HydrophobicContact CD1-CE1 4.11Å; L79-Y140 HydrophobicContact CD2-CD1 4.27Å; L79-Y140 HydrophobicContact CD2-CE1 4.49Å; L79-Y140 HydrophobicContact CG-CD1 4.32Å; L79-Y140 HydrophobicContact CG-CE1 4.18Å; L79-I155 HydrophobicContact CD1-CG2 4.49Å; L79-I155 HydrophobicContact CD2-CB 4.33Å; L79-I155 HydrophobicContact CD2-CG2 3.59Å; L79-Q157 HydrophobicContact CD1-CB 3.63Å; L79-Q175 HydrophobicContact CD1-CB 4.24Å; L79-Q175 WeakPolarHBondContact CD1-O 3.42Å; L79-I177 HydrophobicContact CB-CD1 4.16Å; L79-I177 HydrophobicContact CB-CG1 4.32Å; L79-I177 HydrophobicContact CB-CG2 4.18Å; L79-I177 HydrophobicContact CD2-CD1 3.93Å; L79-I177 HydrophobicContact CD2-CG1 4.18Å |
| 80 | T | 91.7 | Very high | 80.3 | Confident | 33 Ų | 33 | 72.6 Ų | 72.6 | 20% | 0.202 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 123.8 | 174.2 | -44.4 | 0 | 0 | 0 | 0 | 109.7 | F58 L59 Y140 Q157 Q175 | F58-T80 HydrophobicContact CD2-CG2 3.5Å; F58-T80 VanDerWaalsContact CD2-CG2 3.5Å; F58-T80 HydrophobicContact CE2-CG2 3.94Å; F58-T80 HydrophobicContact CG-CG2 4.44Å; L59-T80 WeakPolarHBondContact O-CA 3.47Å; T80-Y140 PolarHBondContact O-OH 3.32Å; T80-Q157 PolarHBondContact O-OE1 3.04Å; T80-Q175 PolarHBondContact OG1-OE1 3.03Å |
| 81 | L | 92.1 | Very high | 82.4 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 155.5 | 177.4 | 64.1 | 151.6 | 0 | 0 | 0 | 111.1 | F58 L59 I61 M85 A86 L89 Y140 | F58-L81 WeakPolarHBondContact CA-O 3.49Å; F58-L81 WeakPolarHBondContact CB-O 3.48Å; L59-L81 HydrophobicContact CB-CD2 4.01Å; L59-L81 HydrophobicContact CB-CG 4.08Å; L59-L81 HydrophobicContact CD2-CD2 4.06Å; L59-L81 HydrophobicContact CG-CD2 4.02Å; L59-L81 PolarHBondContact N-O 2.92Å; L59-L81 PolarHBondContact O-N 2.97Å; I61-L81 HydrophobicContact CD1-CD2 3.8Å; I61-L81 HydrophobicContact CG1-CD2 4.05Å; L81-M85 HydrophobicContact CD1-CB 4.33Å; L81-A86 HydrophobicContact CD1-CB 4.24Å; L81-L89 HydrophobicContact CD1-CB 4.41Å; L81-L89 HydrophobicContact CD1-CD2 3.8Å; L81-L89 HydrophobicContact CD2-CD2 4.37Å; L81-Y140 WeakPolarHBondContact CA-OH 3.49Å; L81-Y140 HydrophobicContact CB-CE1 4.08Å |
| 82 | S | 91.1 | Very high | 84.6 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 147 | 168.6 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | S84 M85 A86 | S82-S84 PolarHBondContact O-N 2.92Å; S82-S84 PolarHBondContact OG-N 3.46Å; S82-S84 PolarHBondContact OG-OG 3.46Å; S82-M85 PolarHBondContact O-N 3.19Å; S82-A86 PolarHBondContact O-N 2.8Å |
| 83 | M | 92.8 | Very high | 86.9 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -59.2 | -33.5 | 168.7 | -80.1 | -58.2 | -66.9 | 0 | 0 | 110.9 | V50 R57 L59 M85 A86 P87 L194 | V50-M83 HydrophobicContact CG1-CG 4.36Å; V50-M83 HydrophobicContact CG1-SD 4.04Å; V50-M83 HydrophobicContact CG2-CE 4.46Å; V50-M83 HydrophobicContact CG2-SD 4.06Å; R57-M83 HydrophobicContact CB-CB 4.03Å; R57-M83 HydrophobicContact CB-CG 3.58Å; R57-M83 PolarHBondContact O-N 3.36Å; R57-M83 VanDerWaalsContact O-N 3.14Å; L59-M83 HydrophobicContact CB-SD 3.86Å; M83-M85 PolarHBondContact O-N 3.45Å; M83-M85 VanDerWaalsContact O-N 3.1Å; M83-A86 WeakPolarHBondContact O-CB 3.41Å; M83-A86 PolarHBondContact O-N 3.36Å; M83-P87 WeakPolarHBondContact O-CD 3.44Å; M83-L194 WeakPolarHBondContact CE-O 3.38Å |
| 84 | S | 90 | Very high | 89.1 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -70.5 | -2 | 176.2 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | S82 R135 E202 | S82-S84 PolarHBondContact O-N 2.92Å; S82-S84 PolarHBondContact OG-N 3.46Å; S82-S84 PolarHBondContact OG-OG 3.46Å; S84-R135 VanDerWaalsContact CB-NH1 3.31Å; S84-R135 PolarHBondContact O-NH1 3.02Å; S84-R135 VanDerWaalsContact OG-CZ 3.29Å; S84-R135 PolarHBondContact OG-NH2 3.46Å; S84-E202 VanDerWaalsContact CB-OE2 3.31Å; S84-E202 WeakPolarHBondContact CB-OE2 3.25Å; S84-E202 PolarHBondContact OG-OE1 3.21Å |
| 85 | M | 91.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -104.2 | -10.5 | 165.9 | -63.5 | -175.7 | 80.9 | 0 | 0 | 113.5 | L81 S82 M83 A88 L89 I133 R135 Y140 | L81-M85 HydrophobicContact CD1-CB 4.33Å; S82-M85 PolarHBondContact O-N 3.19Å; M83-M85 PolarHBondContact O-N 3.45Å; M83-M85 VanDerWaalsContact O-N 3.1Å; M85-A88 PolarHBondContact O-N 3.22Å; M85-L89 PolarHBondContact O-N 3.28Å; M85-L89 VanDerWaalsContact O-N 3.16Å; M85-I133 HydrophobicContact CE-CB 4.43Å; M85-I133 HydrophobicContact CE-CD1 4.24Å; M85-I133 HydrophobicContact CE-CG1 4.09Å; M85-R135 HydrophobicContact CE-CB 3.75Å; M85-R135 HydrophobicContact CG-CB 3.78Å; M85-R135 HydrophobicContact CG-CG 4.43Å; M85-R135 HydrophobicContact SD-CB 3.76Å; M85-Y140 HydrophobicContact CE-CD2 3.57Å; M85-Y140 HydrophobicContact CE-CE2 3.56Å; M85-Y140 HydrophobicContact SD-CD2 4.22Å; M85-Y140 HydrophobicContact SD-CE2 3.59Å; M85-Y140 VanDerWaalsContact SD-CE2 3.59Å |
| 86 | A | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L81 S82 M83 A88 L89 R90 L191 I195 | L81-A86 HydrophobicContact CD1-CB 4.24Å; S82-A86 PolarHBondContact O-N 2.8Å; M83-A86 WeakPolarHBondContact O-CB 3.41Å; M83-A86 PolarHBondContact O-N 3.36Å; A86-A88 PolarHBondContact O-N 3.44Å; A86-L89 PolarHBondContact O-N 3.46Å; A86-R90 PolarHBondContact O-N 2.66Å; A86-L191 HydrophobicContact CB-CD1 4.18Å; A86-I195 VanDerWaalsContact C-CD1 3.49Å; A86-I195 HydrophobicContact CB-CD1 3.83Å; A86-I195 HydrophobicContact CB-CG1 3.7Å; A86-I195 WeakPolarHBondContact O-CD1 3.35Å |
| 87 | P | 94.9 | Very high | 94.1 | Very high | 66 Ų | 66 | 35.4 Ų | 35.4 | 43% | 0.429 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 173.7 | -26.3 | 35.7 | 0 | 0 | 0 | 113.7 | M83 R90 Y91 I195 | M83-P87 WeakPolarHBondContact O-CD 3.44Å; P87-R90 WeakPolarHBondContact O-CB 3.37Å; P87-R90 PolarHBondContact O-N 2.85Å; P87-Y91 PolarHBondContact O-N 2.92Å; P87-I195 HydrophobicContact CG-CG2 4.12Å |
| 88 | A | 95 | Very high | 94.5 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M85 A86 Y91 C92 I133 | M85-A88 PolarHBondContact O-N 3.22Å; A86-A88 PolarHBondContact O-N 3.44Å; A88-Y91 PolarHBondContact O-N 3.07Å; A88-C92 PolarHBondContact O-N 3.4Å; A88-C92 PolarHBondContact O-SG 3.05Å; A88-C92 VanDerWaalsContact O-SG 3.35Å; A88-I133 HydrophobicContact CB-CG2 4.04Å |
| 89 | L | 96.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 173.2 | 175.6 | 59.3 | 0 | 0 | 0 | 112 | I61 L81 M85 A86 Y91 C92 L93 I133 L142 I155 L191 | I61-L89 HydrophobicContact CD1-CD2 4.41Å; L81-L89 HydrophobicContact CD1-CB 4.41Å; L81-L89 HydrophobicContact CD1-CD2 3.8Å; L81-L89 HydrophobicContact CD2-CD2 4.37Å; M85-L89 PolarHBondContact O-N 3.28Å; M85-L89 VanDerWaalsContact O-N 3.16Å; A86-L89 PolarHBondContact O-N 3.46Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; L89-Y91 PolarHBondContact O-N 3.43Å; L89-C92 PolarHBondContact O-N 3.48Å; L89-L93 HydrophobicContact CD1-CD1 4.28Å; L89-L93 HydrophobicContact CD1-CG 4.3Å; L89-L93 HydrophobicContact CG-CD1 4.18Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 2.94Å; L89-I133 HydrophobicContact CB-CD1 4.06Å; L89-L142 HydrophobicContact CD1-CD2 3.72Å; L89-I155 HydrophobicContact CD1-CD1 3.96Å; L89-L191 HydrophobicContact CB-CD2 4.21Å; L89-L191 HydrophobicContact CD2-CD2 3.91Å; L89-L191 HydrophobicContact CG-CD2 3.75Å |
| 90 | R | 97.1 | Very high | 94.8 | Very high | 111 Ų | 111 | 38.4 Ų | 38.4 | 42% | 0.419 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 175.3 | 178.9 | -165.2 | -179.5 | -125.8 | 12 | 111.6 | A86 P87 L93 G94 R188 L191 S192 I195 E196 | A86-R90 PolarHBondContact O-N 2.66Å; P87-R90 WeakPolarHBondContact O-CB 3.37Å; P87-R90 PolarHBondContact O-N 2.85Å; R90-L93 PolarHBondContact O-N 3.19Å; R90-G94 PolarHBondContact O-N 3.15Å; R90-R188 HydrophobicContact CG-CG 4.22Å; R90-L191 HydrophobicContact CB-CD2 4.02Å; R90-L191 HydrophobicContact CB-CG 4.43Å; R90-S192 WeakPolarHBondContact CD-OG 3.05Å; R90-S192 PolarHBondContact NE-OG 3.33Å; R90-I195 HydrophobicContact CB-CD1 3.88Å; R90-I195 HydrophobicContact CG-CD1 4.43Å; R90-E196 IonicContact NH2-OE1 3.93Å |
| 91 | Y | 96.5 | Very high | 94.8 | Very high | 163 Ų | 163 | 39.4 Ų | 39.4 | 64% | 0.639 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.4 | -53.8 | 177.8 | -177.6 | -86.2 | 0 | 0 | 0 | 111.4 | P87 A88 L89 L93 G94 D95 | P87-Y91 PolarHBondContact O-N 2.92Å; A88-Y91 PolarHBondContact O-N 3.07Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; L89-Y91 PolarHBondContact O-N 3.43Å; Y91-L93 VanDerWaalsContact C-N 3.26Å; Y91-L93 PolarHBondContact O-N 3.28Å; Y91-G94 WeakPolarHBondContact O-CA 3.31Å; Y91-G94 PolarHBondContact O-N 2.81Å; Y91-D95 WeakPolarHBondContact CE1-OD2 3.35Å; Y91-D95 PolarHBondContact O-N 3.22Å |
| 92 | C | 97.1 | Very high | 94.8 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 8% | 0.081 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.5 | -36.5 | 178.2 | -64.2 | 0 | 0 | 0 | 0 | 112.6 | A88 L89 G94 D95 F96 L142 | A88-C92 PolarHBondContact O-N 3.4Å; A88-C92 PolarHBondContact O-SG 3.05Å; A88-C92 VanDerWaalsContact O-SG 3.35Å; L89-C92 PolarHBondContact O-N 3.48Å; C92-G94 VanDerWaalsContact C-N 3.27Å; C92-G94 PolarHBondContact O-N 3.01Å; C92-D95 PolarHBondContact O-N 3.46Å; C92-F96 HydrophobicContact CB-CE2 4.38Å; C92-F96 WeakPolarHBondContact O-CD2 3.34Å; C92-F96 PolarHBondContact O-N 3.08Å; C92-L142 HydrophobicContact CB-CD2 4.13Å |
| 93 | L | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -36.9 | 174.1 | -75.1 | 166.9 | 0 | 0 | 0 | 112 | L89 R90 Y91 F96 I97 L153 L184 F187 R188 L191 | L89-L93 HydrophobicContact CD1-CD1 4.28Å; L89-L93 HydrophobicContact CD1-CG 4.3Å; L89-L93 HydrophobicContact CG-CD1 4.18Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 2.94Å; R90-L93 PolarHBondContact O-N 3.19Å; Y91-L93 VanDerWaalsContact C-N 3.26Å; Y91-L93 PolarHBondContact O-N 3.28Å; L93-F96 PolarHBondContact O-N 2.96Å; L93-I97 VanDerWaalsContact O-CD1 3.28Å; L93-I97 WeakPolarHBondContact O-CD1 3.31Å; L93-I97 WeakPolarHBondContact O-CG1 3.47Å; L93-I97 PolarHBondContact O-N 2.84Å; L93-L153 HydrophobicContact CD2-CD2 3.56Å; L93-L184 HydrophobicContact CD2-CD2 3.88Å; L93-F187 HydrophobicContact CD1-CD1 3.84Å; L93-F187 HydrophobicContact CD1-CE1 4.22Å; L93-R188 HydrophobicContact CB-CB 4.14Å; L93-R188 HydrophobicContact CB-CG 4.2Å; L93-R188 HydrophobicContact CD1-CB 4.34Å; L93-L191 HydrophobicContact CD1-CD2 3.89Å |
| 94 | G | 97.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57 | -54.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R90 Y91 C92 F96 I97 D98 | R90-G94 PolarHBondContact O-N 3.15Å; Y91-G94 WeakPolarHBondContact O-CA 3.31Å; Y91-G94 PolarHBondContact O-N 2.81Å; C92-G94 VanDerWaalsContact C-N 3.27Å; C92-G94 PolarHBondContact O-N 3.01Å; G94-F96 VanDerWaalsContact C-N 3.25Å; G94-F96 PolarHBondContact O-N 2.9Å; G94-I97 WeakPolarHBondContact O-CB 3.09Å; G94-I97 PolarHBondContact O-N 2.97Å; G94-D98 PolarHBondContact O-N 2.99Å |
| 95 | D | 96.9 | Very high | 93.2 | Very high | 53 Ų | 53 | 52.5 Ų | 52.5 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.6 | -36.7 | 178.1 | -66.8 | -28.9 | 0 | 0 | 0 | 112.9 | Y91 C92 Y99 | Y91-D95 WeakPolarHBondContact CE1-OD2 3.35Å; Y91-D95 PolarHBondContact O-N 3.22Å; C92-D95 PolarHBondContact O-N 3.46Å; D95-Y99 VanDerWaalsContact O-CB 3.26Å; D95-Y99 WeakPolarHBondContact O-CB 3.22Å; D95-Y99 PolarHBondContact O-N 3.01Å |
| 96 | F | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.8 | -36.5 | 175.8 | -76.9 | -63.3 | 0 | 0 | 0 | 113 | C92 L93 G94 Y100 K129 E131 L142 L144 L153 L184 | C92-F96 HydrophobicContact CB-CE2 4.38Å; C92-F96 WeakPolarHBondContact O-CD2 3.34Å; C92-F96 PolarHBondContact O-N 3.08Å; L93-F96 PolarHBondContact O-N 2.96Å; G94-F96 VanDerWaalsContact C-N 3.25Å; G94-F96 PolarHBondContact O-N 2.9Å; F96-Y100 WeakPolarHBondContact O-CB 3.32Å; F96-Y100 PolarHBondContact O-N 3.37Å; F96-K129 HydrophobicContact CD1-CB 4.29Å; F96-K129 HydrophobicContact CD1-CD 3.85Å; F96-K129 HydrophobicContact CD1-CG 4.13Å; F96-K129 HydrophobicContact CE1-CB 3.84Å; F96-K129 HydrophobicContact CE1-CD 3.8Å; F96-K129 HydrophobicContact CE1-CG 3.59Å; F96-K129 HydrophobicContact CZ-CG 4.38Å; F96-E131 HydrophobicContact CE1-CG 4.46Å; F96-E131 HydrophobicContact CE2-CB 3.97Å; F96-E131 HydrophobicContact CE2-CG 3.93Å; F96-E131 HydrophobicContact CZ-CB 3.8Å; F96-E131 HydrophobicContact CZ-CG 3.64Å; F96-L142 HydrophobicContact CE2-CB 3.62Å; F96-L142 HydrophobicContact CE2-CD2 3.98Å; F96-L142 HydrophobicContact CE2-CG 4.45Å; F96-L142 HydrophobicContact CZ-CB 3.86Å; F96-L142 WeakPolarHBondContact CZ-O 3.26Å; F96-L144 HydrophobicContact CD1-CB 3.71Å; F96-L144 HydrophobicContact CD1-CD2 4.24Å; F96-L144 HydrophobicContact CE1-CB 3.76Å; F96-L153 HydrophobicContact CD1-CD1 4.02Å; F96-L153 HydrophobicContact CD2-CD1 3.83Å; F96-L153 HydrophobicContact CD2-CD2 4.21Å; F96-L153 HydrophobicContact CE1-CD1 3.95Å; F96-L153 HydrophobicContact CE2-CD1 3.81Å; F96-L153 HydrophobicContact CG-CD1 3.98Å; F96-L153 HydrophobicContact CZ-CD1 3.87Å; F96-L184 HydrophobicContact CB-CD1 4.42Å |
| 97 | I | 96.6 | Very high | 90.8 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 9% | 0.087 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -49 | 175.5 | -70.8 | 157.2 | 0 | 0 | 0 | 110 | L93 G94 Y99 Y100 A101 L184 I185 R188 | L93-I97 VanDerWaalsContact O-CD1 3.28Å; L93-I97 WeakPolarHBondContact O-CD1 3.31Å; L93-I97 WeakPolarHBondContact O-CG1 3.47Å; L93-I97 PolarHBondContact O-N 2.84Å; G94-I97 WeakPolarHBondContact O-CB 3.09Å; G94-I97 PolarHBondContact O-N 2.97Å; I97-Y99 VanDerWaalsContact C-N 3.34Å; I97-Y99 PolarHBondContact O-N 2.9Å; I97-Y100 PolarHBondContact O-N 2.93Å; I97-A101 PolarHBondContact O-N 3.31Å; I97-L184 HydrophobicContact CD1-CB 4.2Å; I97-L184 HydrophobicContact CG1-CB 3.66Å; I97-I185 HydrophobicContact CD1-CG1 3.9Å; I97-I185 HydrophobicContact CG1-CG1 4.05Å; I97-I185 HydrophobicContact CG2-CD1 4.2Å; I97-I185 HydrophobicContact CG2-CG1 3.84Å; I97-R188 HydrophobicContact CD1-CB 4.08Å; I97-R188 HydrophobicContact CD1-CG 4.47Å |
| 98 | D | 95.8 | Very high | 89.1 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 178.8 | -82 | 13 | 0 | 0 | 0 | 111.8 | G94 A101 R102 | G94-D98 PolarHBondContact O-N 2.99Å; D98-A101 PolarHBondContact O-N 2.94Å; D98-R102 VanDerWaalsContact O-CG 3.31Å; D98-R102 WeakPolarHBondContact O-CG 3.45Å; D98-R102 PolarHBondContact O-N 2.9Å |
| 99 | Y | 94.7 | Very high | 87.4 | Confident | 72 Ų | 72 | 70.8 Ų | 70.8 | 28% | 0.282 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 174.4 | -178.8 | -86.9 | 0 | 0 | 0 | 111.5 | D95 I97 A101 R102 I103 L128 K129 L144 | D95-Y99 VanDerWaalsContact O-CB 3.26Å; D95-Y99 WeakPolarHBondContact O-CB 3.22Å; D95-Y99 PolarHBondContact O-N 3.01Å; I97-Y99 VanDerWaalsContact C-N 3.34Å; I97-Y99 PolarHBondContact O-N 2.9Å; Y99-A101 VanDerWaalsContact C-N 3.33Å; Y99-A101 PolarHBondContact O-N 3.31Å; Y99-R102 PolarHBondContact O-N 2.86Å; Y99-I103 HydrophobicContact CD1-CD1 4.23Å; Y99-I103 HydrophobicContact CD1-CG2 4.3Å; Y99-I103 HydrophobicContact CE1-CD1 3.88Å; Y99-I103 HydrophobicContact CE1-CG1 4.44Å; Y99-I103 HydrophobicContact CE1-CG2 3.73Å; Y99-I103 HydrophobicContact CE2-CG2 4.43Å; Y99-I103 WeakPolarHBondContact O-CG1 3.19Å; Y99-I103 PolarHBondContact O-N 2.97Å; Y99-I103 VanDerWaalsContact O-N 3.11Å; Y99-L128 HydrophobicContact CE1-CB 3.94Å; Y99-L128 PolarHBondContact OH-O 2.79Å; Y99-L128 VanDerWaalsContact OH-O 3.1Å; Y99-K129 HydrophobicContact CD1-CB 4.28Å; Y99-K129 HydrophobicContact CD1-CD 4.43Å; Y99-K129 HydrophobicContact CD2-CD 4.11Å; Y99-K129 HydrophobicContact CE1-CB 4.23Å; Y99-K129 HydrophobicContact CG-CB 4.5Å; Y99-K129 HydrophobicContact CG-CD 3.93Å; Y99-L144 HydrophobicContact CD1-CD2 3.68Å; Y99-L144 HydrophobicContact CE1-CD2 4.05Å |
| 100 | Y | 93.6 | Very high | 85.5 | Confident | 62 Ų | 62 | 78 Ų | 78 | 24% | 0.243 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 178.5 | 176.7 | -106.1 | 0 | 0 | 0 | 112.4 | F96 I97 I103 G104 R151 A181 | F96-Y100 WeakPolarHBondContact O-CB 3.32Å; F96-Y100 PolarHBondContact O-N 3.37Å; I97-Y100 PolarHBondContact O-N 2.93Å; Y100-I103 HydrophobicContact CD2-CD1 4.4Å; Y100-I103 WeakPolarHBondContact O-CG1 3.24Å; Y100-G104 PolarHBondContact O-N 3.06Å; Y100-G104 VanDerWaalsContact O-N 3.08Å; Y100-R151 HydrophobicContact CD2-CB 4.43Å; Y100-R151 HydrophobicContact CE2-CB 4.02Å; Y100-R151 HydrophobicContact CE2-CG 4.43Å; Y100-A181 HydrophobicContact CD2-CB 3.71Å; Y100-A181 HydrophobicContact CE2-CB 3.46Å; Y100-A181 VanDerWaalsContact CE2-CB 3.46Å; Y100-A181 HydrophobicContact CG-CB 4.34Å |
| 101 | A | 93.1 | Very high | 83.4 | Confident | 55 Ų | 55 | 80.9 Ų | 80.9 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I97 D98 Y99 I103 G104 L105 | I97-A101 PolarHBondContact O-N 3.31Å; D98-A101 PolarHBondContact O-N 2.94Å; Y99-A101 VanDerWaalsContact C-N 3.33Å; Y99-A101 PolarHBondContact O-N 3.31Å; A101-I103 PolarHBondContact O-N 2.85Å; A101-G104 PolarHBondContact O-N 3.17Å; A101-G104 VanDerWaalsContact O-N 3.08Å; A101-L105 PolarHBondContact O-N 3.35Å |
| 102 | R | 90.9 | Very high | 81.4 | Confident | 162 Ų | 162 | 76.9 Ų | 76.9 | 61% | 0.611 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.3 | -41.8 | 179.8 | -66.5 | 171.1 | -154.7 | -175.8 | 8.1 | 112.8 | D98 Y99 G104 L105 K106 | D98-R102 VanDerWaalsContact O-CG 3.31Å; D98-R102 WeakPolarHBondContact O-CG 3.45Å; D98-R102 PolarHBondContact O-N 2.9Å; Y99-R102 PolarHBondContact O-N 2.86Å; R102-G104 VanDerWaalsContact C-N 3.31Å; R102-L105 PolarHBondContact O-N 3.04Å; R102-K106 PolarHBondContact O-N 3Å |
| 103 | I | 88.3 | Confident | 78.9 | Confident | 29 Ų | 29 | 80 Ų | 80 | 15% | 0.149 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -75.8 | -18.3 | 176.9 | 63.5 | 169.4 | 0 | 0 | 0 | 113.3 | Y99 Y100 A101 L128 R151 | Y99-I103 HydrophobicContact CD1-CD1 4.23Å; Y99-I103 HydrophobicContact CD1-CG2 4.3Å; Y99-I103 HydrophobicContact CE1-CD1 3.88Å; Y99-I103 HydrophobicContact CE1-CG1 4.44Å; Y99-I103 HydrophobicContact CE1-CG2 3.73Å; Y99-I103 HydrophobicContact CE2-CG2 4.43Å; Y99-I103 WeakPolarHBondContact O-CG1 3.19Å; Y99-I103 PolarHBondContact O-N 2.97Å; Y99-I103 VanDerWaalsContact O-N 3.11Å; Y100-I103 HydrophobicContact CD2-CD1 4.4Å; Y100-I103 WeakPolarHBondContact O-CG1 3.24Å; A101-I103 PolarHBondContact O-N 2.85Å; I103-L128 HydrophobicContact CD1-CD1 3.72Å; I103-R151 PolarHBondContact O-NH1 3.23Å |
| 104 | G | 80.7 | Confident | 76.5 | Confident | 36 Ų | 36 | 86.4 Ų | 86.4 | 37% | 0.371 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.6 | -41.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y100 A101 R102 R108 | Y100-G104 PolarHBondContact O-N 3.06Å; Y100-G104 VanDerWaalsContact O-N 3.08Å; A101-G104 PolarHBondContact O-N 3.17Å; A101-G104 VanDerWaalsContact O-N 3.08Å; R102-G104 VanDerWaalsContact C-N 3.31Å; G104-R108 PolarHBondContact O-N 2.79Å |
| 105 | L | 72.7 | Confident | 73.9 | Confident | 110 Ų | 110 | 91.3 Ų | 91.3 | 58% | 0.576 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.5 | -50.2 | 178.2 | -64.6 | 172.3 | 0 | 0 | 0 | 112 | A101 R102 A107 R108 E109 | A101-L105 PolarHBondContact O-N 3.35Å; R102-L105 PolarHBondContact O-N 3.04Å; L105-A107 VanDerWaalsContact C-N 3.3Å; L105-A107 PolarHBondContact O-N 2.82Å; L105-R108 WeakPolarHBondContact O-CA 3.4Å; L105-R108 WeakPolarHBondContact O-CB 3.28Å; L105-R108 PolarHBondContact O-N 2.8Å; L105-E109 PolarHBondContact O-N 2.94Å |
| 106 | K | 70.6 | Confident | 71.8 | Confident | 135 Ų | 135 | 93 Ų | 93 | 59% | 0.587 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.4 | -35.5 | -178.6 | -69.7 | -171.3 | 175.5 | -168.5 | 0 | 114.2 | R102 R108 E109 Q110 | R102-K106 PolarHBondContact O-N 3Å; K106-R108 VanDerWaalsContact C-N 3.32Å; K106-E109 PolarHBondContact O-N 2.9Å; K106-Q110 WeakPolarHBondContact O-CG 3.44Å; K106-Q110 PolarHBondContact O-N 3.26Å; K106-Q110 VanDerWaalsContact O-N 3.14Å |
| 107 | A | 63.9 | Low | 69 | Low | 32 Ų | 32 | 98.4 Ų | 98.4 | 26% | 0.264 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L105 Q110 H111 | L105-A107 VanDerWaalsContact C-N 3.3Å; L105-A107 PolarHBondContact O-N 2.82Å; A107-Q110 PolarHBondContact O-N 3.01Å; A107-H111 PolarHBondContact O-CD2 3.27Å; A107-H111 PolarHBondContact O-N 3.01Å |
| 108 | R | 59.7 | Low | 66.9 | Low | 204 Ų | 204 | 105.1 Ų | 105.1 | 77% | 0.77 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.6 | -34.2 | 178.4 | -169.9 | 173.5 | 178.8 | 168.8 | -1.6 | 112.5 | G104 L105 K106 | G104-R108 PolarHBondContact O-N 2.79Å; L105-R108 WeakPolarHBondContact O-CA 3.4Å; L105-R108 WeakPolarHBondContact O-CB 3.28Å; L105-R108 PolarHBondContact O-N 2.8Å; K106-R108 VanDerWaalsContact C-N 3.32Å |
| 109 | E | 59.7 | Low | 64.2 | Low | 129 Ų | 129 | 103.8 Ų | 103.8 | 60% | 0.603 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.7 | -41.1 | 173.4 | -68.8 | 165.9 | 173.3 | 0 | 0 | 111.9 | L105 K106 H111 A112 | L105-E109 PolarHBondContact O-N 2.94Å; K106-E109 PolarHBondContact O-N 2.9Å; E109-H111 VanDerWaalsContact C-N 3.32Å; E109-H111 PolarHBondContact O-N 2.77Å; E109-A112 WeakPolarHBondContact O-CB 3.42Å; E109-A112 PolarHBondContact O-N 2.91Å; E109-A112 VanDerWaalsContact O-N 3.11Å |
| 110 | Q | 56.1 | Low | 61.8 | Low | 153 Ų | 153 | 104.8 Ų | 104.8 | 72% | 0.715 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.9 | -32.3 | 177.5 | -73.2 | 176 | -11.6 | 0 | 0 | 113.1 | K106 A107 A112 | K106-Q110 WeakPolarHBondContact O-CG 3.44Å; K106-Q110 PolarHBondContact O-N 3.26Å; K106-Q110 VanDerWaalsContact O-N 3.14Å; A107-Q110 PolarHBondContact O-N 3.01Å; Q110-A112 VanDerWaalsContact C-N 3.26Å; Q110-A112 PolarHBondContact O-N 3.1Å |
| 111 | H | 52.9 | Low | 59.2 | Low | 172 Ų | 172 | 110.4 Ų | 110.4 | 80% | 0.796 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -4.4 | 173.8 | -73 | -60.8 | 0 | 0 | 0 | 114.5 | A107 E109 | A107-H111 PolarHBondContact O-CD2 3.27Å; A107-H111 PolarHBondContact O-N 3.01Å; E109-H111 VanDerWaalsContact C-N 3.32Å; E109-H111 PolarHBondContact O-N 2.77Å |
| 112 | A | 53.8 | Low | 56.9 | Low | 80 Ų | 80 | 113.8 Ų | 113.8 | 66% | 0.661 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -5.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E109 Q110 | E109-A112 WeakPolarHBondContact O-CB 3.42Å; E109-A112 PolarHBondContact O-N 2.91Å; E109-A112 VanDerWaalsContact O-N 3.11Å; Q110-A112 VanDerWaalsContact C-N 3.26Å; Q110-A112 PolarHBondContact O-N 3.1Å |
| 113 | S | 45 | Very low | 54.8 | Low | 78 Ų | 78 | 112.8 Ų | 112.8 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -114.2 | 117.6 | -178.3 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | T115 | S113-T115 VanDerWaalsContact C-N 3.33Å; S113-T115 PolarHBondContact O-N 3.27Å |
| 114 | P | 47.2 | Very low | 52.9 | Low | 134 Ų | 134 | 114.9 Ų | 114.9 | 87% | 0.87 | 68% | 0.681 | S | S | * | * | trans | -85.9 | 68.1 | -175.2 | 35.8 | -36.1 | 0 | 0 | 0 | 111.9 | ||||
| 115 | T | 43.5 | Very low | 51.9 | Low | 119 Ų | 119 | 119.3 Ų | 119.3 | 73% | 0.73 | 69% | 0.691 | S | S | * | * | trans | -132.2 | 107.3 | 169 | 46.2 | 0 | 0 | 0 | 0 | 110 | S113 S117 | S113-T115 VanDerWaalsContact C-N 3.33Å; S113-T115 PolarHBondContact O-N 3.27Å; T115-S117 PolarHBondContact O-N 3.32Å | ||
| 116 | G | 51 | Low | 52.4 | Low | 88 Ų | 88 | 122.6 Ų | 122.6 | 91% | 0.907 | 70% | 0.696 | S | S | * | * | trans | -66.1 | 126.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 117 | S | 39.8 | Very low | 53.4 | Low | 114 Ų | 114 | 119.2 Ų | 119.2 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | trans | -123.5 | 114.1 | 166.5 | 45.2 | 0 | 0 | 0 | 0 | 109.1 | T115 G119 | T115-S117 PolarHBondContact O-N 3.32Å; S117-G119 PolarHBondContact O-N 2.82Å | ||
| 118 | V | 51.7 | Low | 54.8 | Low | 159 Ų | 159 | 119.2 Ų | 119.2 | 96% | 0.964 | 68% | 0.682 | S | S | * | * | trans | -68.1 | 114.5 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 119 | G | 40 | Very low | 56.4 | Low | 57 Ų | 57 | 111.8 Ų | 111.8 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | trans | -128.7 | 73.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S117 | S117-G119 PolarHBondContact O-N 2.82Š| ||
| 120 | S | 42.8 | Very low | 58.2 | Low | 93 Ų | 93 | 108.6 Ų | 108.6 | 65% | 0.65 | 65% | 0.647 | S | S | * | * | trans | 45.5 | 119.6 | 157.3 | -157.3 | 0 | 0 | 0 | 0 | 119.6 | D122 H123 | S120-D122 PolarHBondContact O-N 3.14Å; S120-H123 PolarHBondContact O-ND1 2.83Å | ||
| 121 | D | 40.5 | Very low | 60.1 | Low | 179 Ų | 179 | 104.4 Ų | 104.4 | 96% | 0.957 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -69.9 | 47.2 | 171.4 | -86.7 | -43.1 | 0 | 0 | 0 | 114.2 | ||
| 122 | D | 44.8 | Very low | 62 | Low | 126 Ų | 126 | 101.9 Ų | 101.9 | 67% | 0.674 | 61% | 0.614 | S | S | * | * | trans | -118.2 | 36.5 | 177.1 | -156.8 | 20 | 0 | 0 | 0 | 112.7 | S120 A124 | S120-D122 PolarHBondContact O-N 3.14Å; D122-A124 PolarHBondContact O-N 2.96Å; D122-A124 VanDerWaalsContact O-N 3.11Å | ||
| 123 | H | 46.2 | Very low | 63.9 | Low | 141 Ų | 141 | 98.9 Ų | 98.9 | 65% | 0.653 | 59% | 0.587 | S | S | * | * | trans | -78.4 | 19 | 176.6 | -75 | 67.8 | 0 | 0 | 0 | 113.2 | S120 H125 | S120-H123 PolarHBondContact O-ND1 2.83Å; H123-H125 PolarHBondContact O-N 2.87Å; H123-H125 VanDerWaalsContact O-N 3.08Å | ||
| 124 | A | 48.3 | Very low | 66 | Low | 74 Ų | 74 | 99.4 Ų | 99.4 | 61% | 0.612 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -79.4 | 86 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | D122 | D122-A124 PolarHBondContact O-N 2.96Å; D122-A124 VanDerWaalsContact O-N 3.11Å |
| 125 | H | 59.5 | Low | 67.6 | Low | 128 Ų | 128 | 97.4 Ų | 97.4 | 59% | 0.593 | 56% | 0.556 | S | S | * | * | trans | 67.1 | 50.2 | 168.6 | -55.5 | -64.3 | 0 | 0 | 0 | 116.8 | H123 V127 | H123-H125 PolarHBondContact O-N 2.87Å; H123-H125 VanDerWaalsContact O-N 3.08Å; H125-V127 PolarHBondContact O-N 3.41Å | ||
| 126 | R | 83.8 | Confident | 68.9 | Low | 180 Ų | 180 | 97.2 Ų | 97.2 | 68% | 0.679 | 55% | 0.55 | S | S | * | * | trans | -60.6 | 128.6 | 171.2 | -170.5 | 174.8 | -177.3 | 171.6 | 3.4 | 111.8 | L128 K145 E146 | R126-L128 HydrophobicContact CG-CD2 4.24Å; R126-K145 WeakPolarHBondContact O-CA 3.5Å; R126-E146 PolarHBondContact O-N 3.31Å | ||
| 127 | V | 90.9 | Very high | 70.1 | Confident | 64 Ų | 64 | 98.7 Ų | 98.7 | 39% | 0.388 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.1 | 166.1 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | H125 S130 D143 K145 | H125-V127 PolarHBondContact O-N 3.41Å; V127-S130 WeakPolarHBondContact CG1-OG 3.31Å; V127-D143 HydrophobicContact CG1-CB 4.49Å; V127-K145 HydrophobicContact CG1-CG 4.45Å; V127-K145 HydrophobicContact CG2-CD 3.9Å; V127-K145 HydrophobicContact CG2-CG 4.19Å |
| 128 | L | 93 | Very high | 72.2 | Confident | 32 Ų | 32 | 97.1 Ų | 97.1 | 17% | 0.168 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -43.4 | -176.1 | -59.6 | 177.6 | 0 | 0 | 0 | 112.2 | Y99 I103 R126 L144 E146 R151 | Y99-L128 HydrophobicContact CE1-CB 3.94Å; Y99-L128 PolarHBondContact OH-O 2.79Å; Y99-L128 VanDerWaalsContact OH-O 3.1Å; I103-L128 HydrophobicContact CD1-CD1 3.72Å; R126-L128 HydrophobicContact CG-CD2 4.24Å; L128-L144 HydrophobicContact CB-CD2 4.43Å; L128-L144 HydrophobicContact CB-CG 4.4Å; L128-L144 HydrophobicContact CD1-CD2 4.46Å; L128-L144 HydrophobicContact CD1-CG 4.36Å; L128-L144 PolarHBondContact N-O 2.94Å; L128-E146 HydrophobicContact CD1-CB 4.06Å; L128-E146 HydrophobicContact CD2-CB 4.48Å; L128-E146 HydrophobicContact CG-CB 4.31Å; L128-R151 HydrophobicContact CD1-CG 4.15Å |
| 129 | K | 94.3 | Very high | 74 | Confident | 47 Ų | 47 | 92.4 Ų | 92.4 | 20% | 0.204 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 141.1 | 175.2 | 178.3 | 177.3 | 161.8 | 69.7 | 0 | 108.3 | F96 Y99 E131 L144 | F96-K129 HydrophobicContact CD1-CB 4.29Å; F96-K129 HydrophobicContact CD1-CD 3.85Å; F96-K129 HydrophobicContact CD1-CG 4.13Å; F96-K129 HydrophobicContact CE1-CB 3.84Å; F96-K129 HydrophobicContact CE1-CD 3.8Å; F96-K129 HydrophobicContact CE1-CG 3.59Å; F96-K129 HydrophobicContact CZ-CG 4.38Å; Y99-K129 HydrophobicContact CD1-CB 4.28Å; Y99-K129 HydrophobicContact CD1-CD 4.43Å; Y99-K129 HydrophobicContact CD2-CD 4.11Å; Y99-K129 HydrophobicContact CE1-CB 4.23Å; Y99-K129 HydrophobicContact CG-CB 4.5Å; Y99-K129 HydrophobicContact CG-CD 3.93Å; K129-E131 IonicContact NZ-OE1 3.23Å; K129-E131 PolarHBondContact NZ-OE1 2.92Å; K129-L144 HydrophobicContact CB-CB 4.47Å; K129-L144 PolarHBondContact N-O 2.73Å; K129-L144 PolarHBondContact O-N 3.18Å |
| 130 | S | 96.1 | Very high | 76.6 | Confident | 62 Ų | 62 | 89.8 Ų | 89.8 | 43% | 0.434 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.3 | 172.4 | -72.9 | 0 | 0 | 0 | 0 | 109.7 | V127 L142 D143 | V127-S130 WeakPolarHBondContact CG1-OG 3.31Å; S130-L142 CarbonylContact C-O 3.54Å; S130-L142 VanDerWaalsContact CA-O 3.29Å; S130-L142 WeakPolarHBondContact CA-O 3.24Å; S130-D143 WeakPolarHBondContact CB-OD1 3.46Å; S130-D143 PolarHBondContact OG-OD1 3.39Å |
| 131 | E | 96.2 | Very high | 79.1 | Confident | 65 Ų | 65 | 88.3 Ų | 88.3 | 30% | 0.304 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 165.2 | 172.8 | -67.6 | -59.2 | 160.1 | 0 | 0 | 109.3 | F96 K129 L142 | F96-E131 HydrophobicContact CE1-CG 4.46Å; F96-E131 HydrophobicContact CE2-CB 3.97Å; F96-E131 HydrophobicContact CE2-CG 3.93Å; F96-E131 HydrophobicContact CZ-CB 3.8Å; F96-E131 HydrophobicContact CZ-CG 3.64Å; K129-E131 IonicContact NZ-OE1 3.23Å; K129-E131 PolarHBondContact NZ-OE1 2.92Å; E131-L142 HydrophobicContact CB-CB 4.41Å; E131-L142 PolarHBondContact N-O 3.42Å; E131-L142 PolarHBondContact O-N 3.22Å |
| 132 | F | 93.4 | Very high | 81.8 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 53% | 0.526 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151.4 | 169 | 74.7 | -82.2 | 0 | 0 | 0 | 111.9 | E134 Y140 F141 | F132-E134 HydrophobicContact CD2-CB 4.47Å; F132-E134 HydrophobicContact CE2-CB 4.47Å; F132-Y140 CarbonylContact C-O 3.57Å; F132-Y140 WeakPolarHBondContact CA-O 3.21Å; F132-Y140 WeakPolarHBondContact CB-O 3.37Å; F132-F141 HydrophobicContact CB-CD1 4.06Å; F132-F141 HydrophobicContact CB-CE1 4.34Å |
| 133 | I | 93.4 | Very high | 84.3 | Confident | 16 Ų | 16 | 75 Ų | 75 | 8% | 0.082 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.7 | 170.1 | 59.7 | 176.2 | 0 | 0 | 0 | 109.2 | M85 A88 L89 K139 Y140 L142 | M85-I133 HydrophobicContact CE-CB 4.43Å; M85-I133 HydrophobicContact CE-CD1 4.24Å; M85-I133 HydrophobicContact CE-CG1 4.09Å; A88-I133 HydrophobicContact CB-CG2 4.04Å; L89-I133 HydrophobicContact CB-CD1 4.06Å; I133-K139 WeakPolarHBondContact O-CA 3.4Å; I133-Y140 HydrophobicContact CD1-CD2 4.49Å; I133-Y140 HydrophobicContact CG1-CD2 4.14Å; I133-Y140 HydrophobicContact CG1-CG 4.24Å; I133-Y140 PolarHBondContact N-O 3.05Å; I133-Y140 PolarHBondContact O-N 3.33Å; I133-L142 HydrophobicContact CG1-CD1 4.2Å |
| 134 | E | 88.8 | Confident | 86.7 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 133.1 | -179.1 | 178.5 | 162.6 | -151.4 | 0 | 0 | 111.1 | F132 R138 K139 | F132-E134 HydrophobicContact CD2-CB 4.47Å; F132-E134 HydrophobicContact CE2-CB 4.47Å; E134-R138 WeakPolarHBondContact CA-O 3.35Å; E134-K139 HydrophobicContact CB-CG 4.19Å; E134-K139 HydrophobicContact CG-CG 3.94Å; E134-K139 WeakPolarHBondContact OE1-CE 3.4Å; E134-K139 WeakPolarHBondContact OE1-CG 3.48Å; E134-K139 IonicContact OE1-NZ 3.02Å; E134-K139 PolarHBondContact OE1-NZ 3.18Å; E134-K139 WeakPolarHBondContact OE2-CE 3.2Å; E134-K139 IonicContact OE2-NZ 2.79Å; E134-K139 PolarHBondContact OE2-NZ 3.46Å |
| 135 | R | 80.6 | Confident | 88.9 | Confident | 92 Ų | 92 | 66.6 Ų | 66.6 | 35% | 0.347 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 144.8 | 168 | -161 | 171.2 | 165.6 | 161.2 | -6.1 | 108.1 | S84 M85 N137 R138 E202 | S84-R135 VanDerWaalsContact CB-NH1 3.31Å; S84-R135 PolarHBondContact O-NH1 3.02Å; S84-R135 VanDerWaalsContact OG-CZ 3.29Å; S84-R135 PolarHBondContact OG-NH2 3.46Å; M85-R135 HydrophobicContact CE-CB 3.75Å; M85-R135 HydrophobicContact CG-CB 3.78Å; M85-R135 HydrophobicContact CG-CG 4.43Å; M85-R135 HydrophobicContact SD-CB 3.76Å; R135-N137 PolarHBondContact O-N 3.11Å; R135-R138 PolarHBondContact N-O 2.78Å; R135-R138 VanDerWaalsContact N-O 3.15Å; R135-R138 WeakPolarHBondContact O-CB 3.41Å; R135-R138 PolarHBondContact O-N 3.31Å; R135-E202 IonicContact CZ-OE2 3.95Å; R135-E202 IonicContact NH1-OE2 3.01Å; R135-E202 IonicContact NH2-OE1 2.59Å; R135-E202 PolarHBondContact NH2-OE1 3.25Å; R135-E202 IonicContact NH2-OE2 3.32Å; R135-E202 PolarHBondContact NH2-OE2 2.86Å |
| 136 | D | 71.8 | Confident | 90.5 | Very high | 115 Ų | 115 | 63.3 Ų | 63.3 | 62% | 0.615 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 47.4 | 172.1 | -44.1 | -32.8 | 0 | 0 | 0 | 115.4 | R138 | D136-R138 PolarHBondContact O-N 3.26Š|
| 137 | N | 76.6 | Confident | 90.7 | Very high | 119 Ų | 119 | 57 Ų | 57 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 18.1 | -176.4 | -65.3 | -75.7 | 0 | 0 | 0 | 115.6 | R135 S160 | R135-N137 PolarHBondContact O-N 3.11Å; N137-S160 PolarHBondContact O-N 3.31Å |
| 138 | R | 83.3 | Confident | 90.6 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 31% | 0.306 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.3 | 171.4 | -58.5 | -177 | -179.1 | -175.6 | 5.9 | 109.6 | E134 R135 D136 Y140 V159 | E134-R138 WeakPolarHBondContact CA-O 3.35Å; R135-R138 PolarHBondContact N-O 2.78Å; R135-R138 VanDerWaalsContact N-O 3.15Å; R135-R138 WeakPolarHBondContact O-CB 3.41Å; R135-R138 PolarHBondContact O-N 3.31Å; D136-R138 PolarHBondContact O-N 3.26Å; R138-Y140 HydrophobicContact CB-CE2 3.68Å; R138-V159 HydrophobicContact CG-CG1 4.47Å |
| 139 | K | 90.3 | Very high | 90.2 | Very high | 60 Ų | 60 | 70.6 Ų | 70.6 | 26% | 0.261 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.2 | 174.2 | -61.2 | -178.6 | -168.6 | -101.4 | 0 | 108.6 | I133 E134 F141 T158 S160 | I133-K139 WeakPolarHBondContact O-CA 3.4Å; E134-K139 HydrophobicContact CB-CG 4.19Å; E134-K139 HydrophobicContact CG-CG 3.94Å; E134-K139 WeakPolarHBondContact OE1-CE 3.4Å; E134-K139 WeakPolarHBondContact OE1-CG 3.48Å; E134-K139 IonicContact OE1-NZ 3.02Å; E134-K139 PolarHBondContact OE1-NZ 3.18Å; E134-K139 WeakPolarHBondContact OE2-CE 3.2Å; E134-K139 IonicContact OE2-NZ 2.79Å; E134-K139 PolarHBondContact OE2-NZ 3.46Å; K139-F141 HydrophobicContact CB-CE2 4.05Å; K139-F141 HydrophobicContact CB-CZ 4.41Å; K139-F141 HydrophobicContact CD-CZ 4.44Å; K139-T158 PolarHBondContact N-O 2.83Å; K139-T158 PolarHBondContact O-N 3.47Å; K139-T158 PolarHBondContact O-OG1 3.41Å; K139-S160 VanDerWaalsContact CE-OG 3.28Å; K139-S160 WeakPolarHBondContact CE-OG 3.43Å |
| 140 | Y | 93.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 69.5 Ų | 69.5 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.2 | 172.1 | -56.5 | -108.5 | 0 | 0 | 0 | 107 | L79 T80 L81 M85 F132 I133 R138 L142 R156 Q157 | L79-Y140 HydrophobicContact CD1-CD1 4.04Å; L79-Y140 HydrophobicContact CD1-CE1 4.11Å; L79-Y140 HydrophobicContact CD2-CD1 4.27Å; L79-Y140 HydrophobicContact CD2-CE1 4.49Å; L79-Y140 HydrophobicContact CG-CD1 4.32Å; L79-Y140 HydrophobicContact CG-CE1 4.18Å; T80-Y140 PolarHBondContact O-OH 3.32Å; L81-Y140 WeakPolarHBondContact CA-OH 3.49Å; L81-Y140 HydrophobicContact CB-CE1 4.08Å; M85-Y140 HydrophobicContact CE-CD2 3.57Å; M85-Y140 HydrophobicContact CE-CE2 3.56Å; M85-Y140 HydrophobicContact SD-CD2 4.22Å; M85-Y140 HydrophobicContact SD-CE2 3.59Å; M85-Y140 VanDerWaalsContact SD-CE2 3.59Å; F132-Y140 CarbonylContact C-O 3.57Å; F132-Y140 WeakPolarHBondContact CA-O 3.21Å; F132-Y140 WeakPolarHBondContact CB-O 3.37Å; I133-Y140 HydrophobicContact CD1-CD2 4.49Å; I133-Y140 HydrophobicContact CG1-CD2 4.14Å; I133-Y140 HydrophobicContact CG1-CG 4.24Å; I133-Y140 PolarHBondContact N-O 3.05Å; I133-Y140 PolarHBondContact O-N 3.33Å; R138-Y140 HydrophobicContact CB-CE2 3.68Å; Y140-L142 WeakPolarHBondContact O-CD1 3.19Å; Y140-R156 CarbonylContact C-O 3.51Å; Y140-R156 WeakPolarHBondContact CA-O 3.35Å; Y140-Q157 HydrophobicContact CD1-CB 3.64Å; Y140-Q157 HydrophobicContact CD1-CG 3.98Å; Y140-Q157 HydrophobicContact CE1-CB 3.57Å; Y140-Q157 HydrophobicContact CE1-CG 3.52Å; Y140-Q157 HydrophobicContact CE2-CG 4.41Å; Y140-Q157 HydrophobicContact CG-CB 4.43Å; Y140-Q157 PolarHBondContact OH-NE2 2.79Å |
| 141 | F | 95.5 | Very high | 90 | Very high | 61 Ų | 61 | 68.7 Ų | 68.7 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133 | 174.2 | -64.5 | -86.5 | 0 | 0 | 0 | 109 | F132 K139 I155 R156 T158 | F132-F141 HydrophobicContact CB-CD1 4.06Å; F132-F141 HydrophobicContact CB-CE1 4.34Å; K139-F141 HydrophobicContact CB-CE2 4.05Å; K139-F141 HydrophobicContact CB-CZ 4.41Å; K139-F141 HydrophobicContact CD-CZ 4.44Å; F141-I155 CarbonylContact O-C 3.55Å; F141-I155 WeakPolarHBondContact O-CA 3.47Å; F141-R156 VanDerWaalsContact CD2-NH2 3.34Å; F141-R156 PolarHBondContact N-O 2.81Å; F141-R156 PolarHBondContact O-N 2.68Å; F141-T158 HydrophobicContact CD2-CG2 4.15Å; F141-T158 HydrophobicContact CE2-CG2 4.04Å; F141-T158 WeakPolarHBondContact CE2-OG1 3.5Å |
| 142 | L | 97.2 | Very high | 90 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 107.5 | -179.2 | -66.2 | 87.7 | 0 | 0 | 0 | 107.8 | L89 C92 F96 S130 E131 I133 Y140 L153 R154 I155 | L89-L142 HydrophobicContact CD1-CD2 3.72Å; C92-L142 HydrophobicContact CB-CD2 4.13Å; F96-L142 HydrophobicContact CE2-CB 3.62Å; F96-L142 HydrophobicContact CE2-CD2 3.98Å; F96-L142 HydrophobicContact CE2-CG 4.45Å; F96-L142 HydrophobicContact CZ-CB 3.86Å; F96-L142 WeakPolarHBondContact CZ-O 3.26Å; S130-L142 CarbonylContact C-O 3.54Å; S130-L142 VanDerWaalsContact CA-O 3.29Å; S130-L142 WeakPolarHBondContact CA-O 3.24Å; E131-L142 HydrophobicContact CB-CB 4.41Å; E131-L142 PolarHBondContact N-O 3.42Å; E131-L142 PolarHBondContact O-N 3.22Å; I133-L142 HydrophobicContact CG1-CD1 4.2Å; Y140-L142 WeakPolarHBondContact O-CD1 3.19Å; L142-L153 HydrophobicContact CB-CD1 4.28Å; L142-R154 WeakPolarHBondContact CA-O 3.45Å; L142-I155 HydrophobicContact CD2-CD1 4.37Å; L142-I155 HydrophobicContact CD2-CG1 4.36Å; L142-I155 HydrophobicContact CG-CG1 4.22Å; L142-I155 HydrophobicContact CG-CG2 4.33Å |
| 143 | D | 96.4 | Very high | 90.2 | Very high | 25 Ų | 25 | 61.3 Ų | 61.3 | 13% | 0.134 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 116 | 179.4 | -62.8 | -30.4 | 0 | 0 | 0 | 110.7 | V127 S130 K145 L153 R154 | V127-D143 HydrophobicContact CG1-CB 4.49Å; S130-D143 WeakPolarHBondContact CB-OD1 3.46Å; S130-D143 PolarHBondContact OG-OD1 3.39Å; D143-K145 HydrophobicContact CB-CD 4.2Å; D143-K145 HydrophobicContact CB-CG 3.93Å; D143-K145 WeakPolarHBondContact OD2-CE 3.36Å; D143-K145 IonicContact OD2-NZ 3.98Å; D143-K145 PolarHBondContact OD2-NZ 3.11Å; D143-L153 CarbonylContact O-C 3.55Å; D143-L153 WeakPolarHBondContact O-CA 3.38Å; D143-R154 PolarHBondContact N-O 2.93Å; D143-R154 PolarHBondContact O-N 3.15Å |
| 144 | L | 97.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 117.5 | 164.8 | -176.7 | 67.2 | 0 | 0 | 0 | 108.4 | F96 Y99 L128 K129 L153 A181 | F96-L144 HydrophobicContact CD1-CB 3.71Å; F96-L144 HydrophobicContact CD1-CD2 4.24Å; F96-L144 HydrophobicContact CE1-CB 3.76Å; Y99-L144 HydrophobicContact CD1-CD2 3.68Å; Y99-L144 HydrophobicContact CE1-CD2 4.05Å; L128-L144 HydrophobicContact CB-CD2 4.43Å; L128-L144 HydrophobicContact CB-CG 4.4Å; L128-L144 HydrophobicContact CD1-CD2 4.46Å; L128-L144 HydrophobicContact CD1-CG 4.36Å; L128-L144 PolarHBondContact N-O 2.94Å; K129-L144 HydrophobicContact CB-CB 4.47Å; K129-L144 PolarHBondContact N-O 2.73Å; K129-L144 PolarHBondContact O-N 3.18Å; L144-L153 HydrophobicContact CB-CD1 4.25Å; L144-A181 HydrophobicContact CD1-CB 4.2Å |
| 145 | K | 95.6 | Very high | 90.6 | Very high | 39 Ų | 39 | 60 Ų | 60 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 159.5 | -177.2 | -52.9 | -161.5 | -177.3 | -157.9 | 0 | 111.7 | R126 V127 D143 R151 F152 | R126-K145 WeakPolarHBondContact O-CA 3.5Å; V127-K145 HydrophobicContact CG1-CG 4.45Å; V127-K145 HydrophobicContact CG2-CD 3.9Å; V127-K145 HydrophobicContact CG2-CG 4.19Å; D143-K145 HydrophobicContact CB-CD 4.2Å; D143-K145 HydrophobicContact CB-CG 3.93Å; D143-K145 WeakPolarHBondContact OD2-CE 3.36Å; D143-K145 IonicContact OD2-NZ 3.98Å; D143-K145 PolarHBondContact OD2-NZ 3.11Å; K145-R151 CarbonylContact O-C 3.56Å; K145-R151 VanDerWaalsContact O-CA 3.28Å; K145-R151 WeakPolarHBondContact O-CA 3.44Å; K145-F152 HydrophobicContact CB-CD2 4.47Å; K145-F152 HydrophobicContact CB-CE1 4Å; K145-F152 HydrophobicContact CB-CE2 3.89Å; K145-F152 HydrophobicContact CB-CZ 3.63Å; K145-F152 HydrophobicContact CG-CE2 4.37Å; K145-F152 HydrophobicContact CG-CZ 4.44Å; K145-F152 PolarHBondContact N-O 2.89Å; K145-F152 PolarHBondContact O-N 3.32Å |
| 146 | E | 92.3 | Very high | 91.2 | Very high | 60 Ų | 60 | 58.6 Ų | 58.6 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 142.1 | 176 | -169.7 | 152.8 | -143.4 | 0 | 0 | 110.6 | R126 L128 R151 | R126-E146 PolarHBondContact O-N 3.31Å; L128-E146 HydrophobicContact CD1-CB 4.06Å; L128-E146 HydrophobicContact CD2-CB 4.48Å; L128-E146 HydrophobicContact CG-CB 4.31Å; E146-R151 HydrophobicContact CB-CG 4.13Å; E146-R151 HydrophobicContact CG-CG 3.91Å; E146-R151 IonicContact OE1-CZ 2.94Å; E146-R151 VanDerWaalsContact OE1-CZ 3.23Å; E146-R151 IonicContact OE1-NE 3.96Å; E146-R151 PolarHBondContact OE1-NE 3.4Å; E146-R151 IonicContact OE1-NH2 3.56Å; E146-R151 PolarHBondContact OE1-NH2 3.26Å; E146-R151 IonicContact OE2-CZ 3.69Å; E146-R151 IonicContact OE2-NE 2.54Å; E146-R151 PolarHBondContact OE2-NE 3.19Å; E146-R151 IonicContact OE2-NH2 3.9Å |
| 147 | N | 88.3 | Confident | 92.1 | Very high | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 179.2 | 169.4 | 69.6 | 22 | 0 | 0 | 0 | 110 | R149 G150 F152 | N147-R149 PolarHBondContact O-N 2.72Å; N147-R149 WeakPolarHBondContact OD1-CA 3.39Å; N147-R149 WeakPolarHBondContact OD1-CB 3.42Å; N147-R149 PolarHBondContact OD1-N 2.54Å; N147-G150 PolarHBondContact N-O 2.88Å; N147-G150 VanDerWaalsContact N-O 3.08Å; N147-G150 PolarHBondContact O-N 2.98Å; N147-G150 PolarHBondContact OD1-N 2.84Å; N147-G150 PolarHBondContact OD1-O 3.08Å; N147-F152 HydrophobicContact CB-CE1 4.16Å; N147-F152 WeakPolarHBondContact ND2-CE1 3.34Å |
| 148 | Q | 88.2 | Confident | 92.3 | Very high | 195 Ų | 195 | 50 Ų | 50 | 91% | 0.911 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -17.9 | 178 | -64.4 | 174.8 | -9.6 | 0 | 0 | 115.2 | ||
| 149 | R | 86 | Confident | 91.6 | Very high | 187 Ų | 187 | 50.5 Ų | 50.5 | 71% | 0.706 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 3.8 | 177.6 | -61.7 | 175.1 | 52.6 | -169.1 | -8.1 | 113.1 | W65 N147 | W65-R149 VanDerWaalsContact CH2-NH2 3.34Å; N147-R149 PolarHBondContact O-N 2.72Å; N147-R149 WeakPolarHBondContact OD1-CA 3.39Å; N147-R149 WeakPolarHBondContact OD1-CB 3.42Å; N147-R149 PolarHBondContact OD1-N 2.54Å |
| 150 | G | 90.9 | Very high | 89.9 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 25% | 0.247 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 107.6 | -165.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | N147 | N147-G150 PolarHBondContact N-O 2.88Å; N147-G150 VanDerWaalsContact N-O 3.08Å; N147-G150 PolarHBondContact O-N 2.98Å; N147-G150 PolarHBondContact OD1-N 2.84Å; N147-G150 PolarHBondContact OD1-O 3.08Å |
| 151 | R | 94.8 | Very high | 88 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 144.3 | -176 | -59.5 | 178.2 | -172.3 | 144.9 | 8 | 111.6 | Y100 I103 L128 K145 E146 A181 | Y100-R151 HydrophobicContact CD2-CB 4.43Å; Y100-R151 HydrophobicContact CE2-CB 4.02Å; Y100-R151 HydrophobicContact CE2-CG 4.43Å; I103-R151 PolarHBondContact O-NH1 3.23Å; L128-R151 HydrophobicContact CD1-CG 4.15Å; K145-R151 CarbonylContact O-C 3.56Å; K145-R151 VanDerWaalsContact O-CA 3.28Å; K145-R151 WeakPolarHBondContact O-CA 3.44Å; E146-R151 HydrophobicContact CB-CG 4.13Å; E146-R151 HydrophobicContact CG-CG 3.91Å; E146-R151 IonicContact OE1-CZ 2.94Å; E146-R151 VanDerWaalsContact OE1-CZ 3.23Å; E146-R151 IonicContact OE1-NE 3.96Å; E146-R151 PolarHBondContact OE1-NE 3.4Å; E146-R151 IonicContact OE1-NH2 3.56Å; E146-R151 PolarHBondContact OE1-NH2 3.26Å; E146-R151 IonicContact OE2-CZ 3.69Å; E146-R151 IonicContact OE2-NE 2.54Å; E146-R151 PolarHBondContact OE2-NE 3.19Å; E146-R151 IonicContact OE2-NH2 3.9Å; R151-A181 HydrophobicContact CB-CB 3.78Å; R151-A181 VanDerWaalsContact O-CB 3.29Å; R151-A181 WeakPolarHBondContact O-CB 3.35Å; R151-A181 PolarHBondContact O-N 3.01Å |
| 152 | F | 95.7 | Very high | 85.4 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 13% | 0.132 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 145.6 | -179.4 | 62.5 | -86.8 | 0 | 0 | 0 | 111.8 | K145 N147 R154 V178 L179 | K145-F152 HydrophobicContact CB-CD2 4.47Å; K145-F152 HydrophobicContact CB-CE1 4Å; K145-F152 HydrophobicContact CB-CE2 3.89Å; K145-F152 HydrophobicContact CB-CZ 3.63Å; K145-F152 HydrophobicContact CG-CE2 4.37Å; K145-F152 HydrophobicContact CG-CZ 4.44Å; K145-F152 PolarHBondContact N-O 2.89Å; K145-F152 PolarHBondContact O-N 3.32Å; N147-F152 HydrophobicContact CB-CE1 4.16Å; N147-F152 WeakPolarHBondContact ND2-CE1 3.34Å; F152-R154 HydrophobicContact CD2-CB 4.44Å; F152-R154 HydrophobicContact CE2-CB 4.32Å; F152-V178 HydrophobicContact CB-CG1 4.04Å; F152-V178 HydrophobicContact CD2-CG1 3.53Å; F152-V178 HydrophobicContact CE2-CG1 4.24Å; F152-V178 HydrophobicContact CG-CG1 3.98Å; F152-L179 CarbonylContact C-O 3.57Å; F152-L179 WeakPolarHBondContact CA-O 3.42Å; F152-L179 WeakPolarHBondContact CB-O 3.48Å |
| 153 | L | 97.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 116.7 | 170.5 | -174.5 | 68.3 | 0 | 0 | 0 | 109 | L93 F96 L142 D143 L144 I155 V178 L179 L184 | L93-L153 HydrophobicContact CD2-CD2 3.56Å; F96-L153 HydrophobicContact CD1-CD1 4.02Å; F96-L153 HydrophobicContact CD2-CD1 3.83Å; F96-L153 HydrophobicContact CD2-CD2 4.21Å; F96-L153 HydrophobicContact CE1-CD1 3.95Å; F96-L153 HydrophobicContact CE2-CD1 3.81Å; F96-L153 HydrophobicContact CG-CD1 3.98Å; F96-L153 HydrophobicContact CZ-CD1 3.87Å; L142-L153 HydrophobicContact CB-CD1 4.28Å; D143-L153 CarbonylContact O-C 3.55Å; D143-L153 WeakPolarHBondContact O-CA 3.38Å; L144-L153 HydrophobicContact CB-CD1 4.25Å; L153-I155 HydrophobicContact CD2-CD1 4.2Å; L153-I155 HydrophobicContact CD2-CG1 4.17Å; L153-I155 HydrophobicContact CG-CG1 4.15Å; L153-V178 CarbonylContact O-C 3.46Å; L153-V178 WeakPolarHBondContact O-CA 3.17Å; L153-L179 HydrophobicContact CB-CB 4.45Å; L153-L179 PolarHBondContact N-O 2.94Å; L153-L179 PolarHBondContact O-N 2.87Å; L153-L184 HydrophobicContact CB-CD2 3.87Å; L153-L184 HydrophobicContact CD2-CD2 3.67Å; L153-L184 HydrophobicContact CG-CD2 4.43Å |
| 154 | R | 95.5 | Very high | 79.8 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 28% | 0.283 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 117.3 | 169.3 | 179.8 | 177.2 | 179.1 | -163.9 | -7.6 | 108.7 | L142 D143 F152 E174 T176 V178 | L142-R154 WeakPolarHBondContact CA-O 3.45Å; D143-R154 PolarHBondContact N-O 2.93Å; D143-R154 PolarHBondContact O-N 3.15Å; F152-R154 HydrophobicContact CD2-CB 4.44Å; F152-R154 HydrophobicContact CE2-CB 4.32Å; R154-E174 IonicContact NH2-OE2 2.66Å; R154-E174 PolarHBondContact NH2-OE2 2.9Å; R154-T176 PolarHBondContact NE-OG1 2.86Å; R154-V178 HydrophobicContact CB-CG2 4.37Å; R154-V178 HydrophobicContact CG-CG2 4.17Å |
| 155 | I | 95.6 | Very high | 77.2 | Confident | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.6 | 170.2 | -51.9 | 179.7 | 0 | 0 | 0 | 107.6 | L79 L89 F141 L142 L153 T176 I177 L179 | L79-I155 HydrophobicContact CD1-CG2 4.49Å; L79-I155 HydrophobicContact CD2-CB 4.33Å; L79-I155 HydrophobicContact CD2-CG2 3.59Å; L89-I155 HydrophobicContact CD1-CD1 3.96Å; F141-I155 CarbonylContact O-C 3.55Å; F141-I155 WeakPolarHBondContact O-CA 3.47Å; L142-I155 HydrophobicContact CD2-CD1 4.37Å; L142-I155 HydrophobicContact CD2-CG1 4.36Å; L142-I155 HydrophobicContact CG-CG1 4.22Å; L142-I155 HydrophobicContact CG-CG2 4.33Å; L153-I155 HydrophobicContact CD2-CD1 4.2Å; L153-I155 HydrophobicContact CD2-CG1 4.17Å; L153-I155 HydrophobicContact CG-CG1 4.15Å; I155-T176 CarbonylContact O-C 3.59Å; I155-T176 WeakPolarHBondContact O-CA 3.31Å; I155-T176 WeakPolarHBondContact O-CB 3.34Å; I155-T176 PolarHBondContact O-OG1 2.88Å; I155-I177 HydrophobicContact CB-CG1 3.96Å; I155-I177 HydrophobicContact CD1-CD1 4.42Å; I155-I177 PolarHBondContact N-O 2.99Å; I155-I177 PolarHBondContact O-N 2.75Å; I155-L179 HydrophobicContact CD1-CD1 3.83Å; I155-L179 HydrophobicContact CG1-CD1 4.05Å |
| 156 | R | 93.4 | Very high | 74.8 | Confident | 62 Ų | 62 | 78.7 Ų | 78.7 | 23% | 0.234 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 114.4 | -176.2 | 179.2 | -175.6 | 69.3 | 124.1 | -1.7 | 110.4 | Y140 F141 E174 | Y140-R156 CarbonylContact C-O 3.51Å; Y140-R156 WeakPolarHBondContact CA-O 3.35Å; F141-R156 VanDerWaalsContact CD2-NH2 3.34Å; F141-R156 PolarHBondContact N-O 2.81Å; F141-R156 PolarHBondContact O-N 2.68Å; R156-E174 WeakPolarHBondContact CD-OE1 3.43Å; R156-E174 VanDerWaalsContact CD-OE2 3.3Å; R156-E174 WeakPolarHBondContact CD-OE2 3.45Å; R156-E174 HydrophobicContact CG-CB 4.43Å; R156-E174 IonicContact CZ-OE1 3.35Å; R156-E174 IonicContact NH1-OE1 2.72Å; R156-E174 PolarHBondContact NH1-OE1 2.89Å |
| 157 | Q | 89.5 | Confident | 72 | Confident | 20 Ų | 20 | 78.5 Ų | 78.5 | 9% | 0.093 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 130.1 | 170.2 | -178.7 | -179.4 | -8.7 | 0 | 0 | 110.5 | L79 T80 Y140 Q175 | L79-Q157 HydrophobicContact CD1-CB 3.63Å; T80-Q157 PolarHBondContact O-OE1 3.04Å; Y140-Q157 HydrophobicContact CD1-CB 3.64Å; Y140-Q157 HydrophobicContact CD1-CG 3.98Å; Y140-Q157 HydrophobicContact CE1-CB 3.57Å; Y140-Q157 HydrophobicContact CE1-CG 3.52Å; Y140-Q157 HydrophobicContact CE2-CG 4.41Å; Y140-Q157 HydrophobicContact CG-CB 4.43Å; Y140-Q157 PolarHBondContact OH-NE2 2.79Å; Q157-Q175 HydrophobicContact CB-CB 4.14Å; Q157-Q175 PolarHBondContact N-O 3.15Å |
| 158 | T | 82.2 | Confident | 69.5 | Low | 34 Ų | 34 | 86.9 Ų | 86.9 | 21% | 0.209 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 149.3 | 159.1 | 69.4 | 0 | 0 | 0 | 0 | 109 | K139 F141 | K139-T158 PolarHBondContact N-O 2.83Å; K139-T158 PolarHBondContact O-N 3.47Å; K139-T158 PolarHBondContact O-OG1 3.41Å; F141-T158 HydrophobicContact CD2-CG2 4.15Å; F141-T158 HydrophobicContact CE2-CG2 4.04Å; F141-T158 WeakPolarHBondContact CE2-OG1 3.5Å |
| 159 | V | 67.5 | Low | 66.9 | Low | 91 Ų | 91 | 88 Ų | 88 | 55% | 0.552 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 140.6 | 160.8 | -75.4 | 0 | 0 | 0 | 0 | 107.4 | R138 K161 | R138-V159 HydrophobicContact CG-CG1 4.47Å; V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 PolarHBondContact O-N 2.93Å |
| 160 | S | 56 | Low | 64.5 | Low | 48 Ų | 48 | 82.2 Ų | 82.2 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | trans | -60.2 | 95.8 | 174.5 | -71.8 | 0 | 0 | 0 | 0 | 109.5 | N137 K139 G162 | N137-S160 PolarHBondContact O-N 3.31Å; K139-S160 VanDerWaalsContact CE-OG 3.28Å; K139-S160 WeakPolarHBondContact CE-OG 3.43Å; S160-G162 PolarHBondContact O-N 3.31Å | ||
| 161 | K | 54.3 | Low | 62 | Low | 126 Ų | 126 | 89.2 Ų | 89.2 | 55% | 0.548 | 48% | 0.484 | S | S | . | . | trans | -62.5 | 115 | 166.6 | -77.8 | -178.4 | 161.9 | -153.2 | 0 | 106.4 | V159 S165 | V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 PolarHBondContact O-N 2.93Å; K161-S165 PolarHBondContact NZ-OG 3.3Å | ||
| 162 | G | 40.8 | Very low | 59.8 | Low | 60 Ų | 60 | 89.8 Ų | 89.8 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | trans | -53.5 | 145.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S160 G164 | S160-G162 PolarHBondContact O-N 3.31Å; G162-G164 PolarHBondContact O-N 3.42Å | ||
| 163 | H | 35.7 | Very low | 57.8 | Low | 209 Ų | 209 | 96 Ų | 96 | 97% | 0.968 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 125.6 | 177.5 | -86.2 | 70.7 | 0 | 0 | 0 | 109.9 | ||
| 164 | G | 39.9 | Very low | 56.3 | Low | 78 Ų | 78 | 99 Ų | 99 | 80% | 0.804 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131 | -9.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G162 M166 | G162-G164 PolarHBondContact O-N 3.42Å; G164-M166 VanDerWaalsContact C-N 3.29Å; G164-M166 PolarHBondContact O-N 3.25Å |
| 165 | S | 41.4 | Very low | 55.9 | Low | 69 Ų | 69 | 98.1 Ų | 98.1 | 48% | 0.483 | 55% | 0.55 | S | S | . | . | trans | -91 | 52.3 | 176.8 | -168.7 | 0 | 0 | 0 | 0 | 113.1 | K161 | K161-S165 PolarHBondContact NZ-OG 3.3Š| ||
| 166 | M | 45.4 | Very low | 55.7 | Low | 190 Ų | 190 | 99.4 Ų | 99.4 | 94% | 0.936 | 56% | 0.558 | S | S | * | * | trans | -94.6 | 85 | 159.9 | -171 | 69.9 | 115.6 | 0 | 0 | 107.2 | G164 | G164-M166 VanDerWaalsContact C-N 3.29Å; G164-M166 PolarHBondContact O-N 3.25Å | ||
| 167 | G | 33.7 | Very low | 55.7 | Low | 57 Ų | 57 | 96.5 Ų | 96.5 | 59% | 0.588 | 55% | 0.547 | S | S | * | . | trans | -141.1 | 133.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y169 | G167-Y169 PolarHBondContact O-N 2.9Š| ||
| 168 | Y | 35.6 | Very low | 55.9 | Low | 222 Ų | 222 | 97.4 Ų | 97.4 | 87% | 0.871 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -68.5 | 0.7 | -155.2 | -105.6 | -104.8 | 0 | 0 | 0 | 117.9 | ||
| 169 | Y | 34 | Very low | 56.6 | Low | 220 Ų | 220 | 95.8 Ų | 95.8 | 86% | 0.863 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -141.2 | 130 | -179.7 | -70.3 | -83 | 0 | 0 | 0 | 112.7 | G167 | G167-Y169 PolarHBondContact O-N 2.9Š|
| 170 | G | 34.8 | Very low | 57.9 | Low | 65 Ų | 65 | 91.8 Ų | 91.8 | 67% | 0.67 | 52% | 0.52 | S | S | * | . | trans | 97.2 | 91.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G172 | G170-G172 PolarHBondContact O-N 3.16Å; G170-G172 VanDerWaalsContact O-N 3.16Å | ||
| 171 | Q | 39.7 | Very low | 59.8 | Low | 171 Ų | 171 | 89.7 Ų | 89.7 | 80% | 0.799 | 51% | 0.505 | S | S | * | . | trans | -56.8 | 117.7 | 149 | -73.9 | 178 | -48.4 | 0 | 0 | 107.8 | I173 | Q171-I173 PolarHBondContact O-N 3.21Š| ||
| 172 | G | 48 | Very low | 61.7 | Low | 56 Ų | 56 | 87.9 Ų | 87.9 | 58% | 0.577 | 50% | 0.498 | S | S | * | . | trans | -58.3 | 125.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | G170 E174 | G170-G172 PolarHBondContact O-N 3.16Å; G170-G172 VanDerWaalsContact O-N 3.16Å; G172-E174 PolarHBondContact O-N 2.9Å | ||
| 173 | I | 53.4 | Low | 64.4 | Low | 162 Ų | 162 | 85 Ų | 85 | 83% | 0.831 | 47% | 0.469 | S | S | * | . | trans | -47.9 | 105.9 | -169.1 | -60.6 | 169 | 0 | 0 | 0 | 109.6 | Q171 Q175 | Q171-I173 PolarHBondContact O-N 3.21Å; I173-Q175 PolarHBondContact O-N 3.19Å | ||
| 174 | E | 65.1 | Low | 67.3 | Low | 63 Ų | 63 | 75.1 Ų | 75.1 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | trans | -64.1 | 111.2 | -177.6 | -66.3 | -162.8 | 138.5 | 0 | 0 | 108.3 | R154 R156 G172 T176 | R154-E174 IonicContact NH2-OE2 2.66Å; R154-E174 PolarHBondContact NH2-OE2 2.9Å; R156-E174 WeakPolarHBondContact CD-OE1 3.43Å; R156-E174 VanDerWaalsContact CD-OE2 3.3Å; R156-E174 WeakPolarHBondContact CD-OE2 3.45Å; R156-E174 HydrophobicContact CG-CB 4.43Å; R156-E174 IonicContact CZ-OE1 3.35Å; R156-E174 IonicContact NH1-OE1 2.72Å; R156-E174 PolarHBondContact NH1-OE1 2.89Å; G172-E174 PolarHBondContact O-N 2.9Å; E174-T176 PolarHBondContact O-N 2.82Å | ||
| 175 | Q | 87.1 | Confident | 70 | Confident | 56 Ų | 56 | 75.2 Ų | 75.2 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 101.8 | 171.8 | -74.8 | -170.2 | 27.2 | 0 | 0 | 107.2 | K78 L79 T80 Q157 I173 | K78-Q175 WeakPolarHBondContact O-CA 3.49Å; K78-Q175 VanDerWaalsContact O-CB 3.29Å; K78-Q175 WeakPolarHBondContact O-CB 3.35Å; L79-Q175 HydrophobicContact CD1-CB 4.24Å; L79-Q175 WeakPolarHBondContact CD1-O 3.42Å; T80-Q175 PolarHBondContact OG1-OE1 3.03Å; Q157-Q175 HydrophobicContact CB-CB 4.14Å; Q157-Q175 PolarHBondContact N-O 3.15Å; I173-Q175 PolarHBondContact O-N 3.19Å |
| 176 | T | 91.8 | Very high | 72.7 | Confident | 29 Ų | 29 | 76.8 Ų | 76.8 | 18% | 0.178 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 141.6 | -175.3 | -168.4 | 0 | 0 | 0 | 0 | 110.2 | S77 R154 I155 E174 | S77-T176 VanDerWaalsContact CB-O 3.28Å; S77-T176 WeakPolarHBondContact CB-O 3.46Å; R154-T176 PolarHBondContact NE-OG1 2.86Å; I155-T176 CarbonylContact O-C 3.59Å; I155-T176 WeakPolarHBondContact O-CA 3.31Å; I155-T176 WeakPolarHBondContact O-CB 3.34Å; I155-T176 PolarHBondContact O-OG1 2.88Å; E174-T176 PolarHBondContact O-N 2.82Å |
| 177 | I | 94.1 | Very high | 75.2 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153.6 | 172.6 | 56.7 | 173.9 | 0 | 0 | 0 | 108.7 | I61 E63 L79 I155 L179 F187 | I61-I177 HydrophobicContact CB-CD1 4.11Å; I61-I177 HydrophobicContact CD1-CD1 4.34Å; I61-I177 HydrophobicContact CG2-CD1 3.7Å; E63-I177 HydrophobicContact CB-CG2 4.07Å; E63-I177 WeakPolarHBondContact OE2-CA 3.33Å; L79-I177 HydrophobicContact CB-CD1 4.16Å; L79-I177 HydrophobicContact CB-CG1 4.32Å; L79-I177 HydrophobicContact CB-CG2 4.18Å; L79-I177 HydrophobicContact CD2-CD1 3.93Å; L79-I177 HydrophobicContact CD2-CG1 4.18Å; I155-I177 HydrophobicContact CB-CG1 3.96Å; I155-I177 HydrophobicContact CD1-CD1 4.42Å; I155-I177 PolarHBondContact N-O 2.99Å; I155-I177 PolarHBondContact O-N 2.75Å; I177-L179 HydrophobicContact CD1-CD1 3.87Å; I177-L179 HydrophobicContact CG1-CD1 3.86Å; I177-F187 HydrophobicContact CD1-CZ 4.5Å |
| 178 | V | 94.4 | Very high | 78.3 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 102.1 | -174 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | K44 E63 F152 L153 R154 | K44-V178 PolarHBondContact NZ-O 3.34Å; E63-V178 PolarHBondContact OE2-N 3.01Å; F152-V178 HydrophobicContact CB-CG1 4.04Å; F152-V178 HydrophobicContact CD2-CG1 3.53Å; F152-V178 HydrophobicContact CE2-CG1 4.24Å; F152-V178 HydrophobicContact CG-CG1 3.98Å; L153-V178 CarbonylContact O-C 3.46Å; L153-V178 WeakPolarHBondContact O-CA 3.17Å; R154-V178 HydrophobicContact CB-CG2 4.37Å; R154-V178 HydrophobicContact CG-CG2 4.17Å |
| 179 | L | 95 | Very high | 81.2 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.6 | -178.3 | -60.9 | 77.4 | 0 | 0 | 0 | 109.4 | F46 F152 L153 I155 I177 A181 L184 F187 | F46-L179 HydrophobicContact CE1-CD1 4.49Å; F46-L179 HydrophobicContact CE1-CG 4.06Å; F46-L179 HydrophobicContact CZ-CB 4.46Å; F46-L179 HydrophobicContact CZ-CG 4.16Å; F152-L179 CarbonylContact C-O 3.57Å; F152-L179 WeakPolarHBondContact CA-O 3.42Å; F152-L179 WeakPolarHBondContact CB-O 3.48Å; L153-L179 HydrophobicContact CB-CB 4.45Å; L153-L179 PolarHBondContact N-O 2.94Å; L153-L179 PolarHBondContact O-N 2.87Å; I155-L179 HydrophobicContact CD1-CD1 3.83Å; I155-L179 HydrophobicContact CG1-CD1 4.05Å; I177-L179 HydrophobicContact CD1-CD1 3.87Å; I177-L179 HydrophobicContact CG1-CD1 3.86Å; L179-A181 PolarHBondContact O-N 2.83Å; L179-L184 HydrophobicContact CB-CD2 4.25Å; L179-L184 HydrophobicContact CD2-CD2 4.26Å; L179-F187 HydrophobicContact CD2-CB 4.13Å; L179-F187 HydrophobicContact CD2-CD1 3.6Å; L179-F187 HydrophobicContact CD2-CD2 3.53Å; L179-F187 HydrophobicContact CD2-CE1 3.75Å; L179-F187 HydrophobicContact CD2-CE2 3.66Å; L179-F187 HydrophobicContact CD2-CG 3.47Å; L179-F187 VanDerWaalsContact CD2-CG 3.47Å; L179-F187 HydrophobicContact CD2-CZ 3.75Å; L179-F187 HydrophobicContact CG-CD2 4.45Å; L179-F187 HydrophobicContact CG-CE2 4.37Å |
| 180 | P | 96.1 | Very high | 84.3 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 135.7 | 168.1 | -20.7 | 33.3 | 0 | 0 | 0 | 110.2 | I41 Q42 K44 Q182 G183 | I41-P180 HydrophobicContact CG2-CB 3.85Å; I41-P180 HydrophobicContact CG2-CG 3.74Å; Q42-P180 HydrophobicContact CG-CB 4.33Å; Q42-P180 HydrophobicContact CG-CG 4.42Å; K44-P180 HydrophobicContact CD-CG 4.43Å; P180-Q182 PolarHBondContact O-N 3.43Å; P180-Q182 VanDerWaalsContact O-N 3.13Å; P180-G183 PolarHBondContact O-N 3.09Å |
| 181 | A | 95.8 | Very high | 87.2 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -62.3 | -26.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y100 L144 R151 L179 G183 L184 | Y100-A181 HydrophobicContact CD2-CB 3.71Å; Y100-A181 HydrophobicContact CE2-CB 3.46Å; Y100-A181 VanDerWaalsContact CE2-CB 3.46Å; Y100-A181 HydrophobicContact CG-CB 4.34Å; L144-A181 HydrophobicContact CD1-CB 4.2Å; R151-A181 HydrophobicContact CB-CB 3.78Å; R151-A181 VanDerWaalsContact O-CB 3.29Å; R151-A181 WeakPolarHBondContact O-CB 3.35Å; R151-A181 PolarHBondContact O-N 3.01Å; L179-A181 PolarHBondContact O-N 2.83Å; A181-G183 PolarHBondContact O-N 2.91Å; A181-L184 HydrophobicContact CB-CD1 4.23Å; A181-L184 WeakPolarHBondContact O-CG 3.43Å; A181-L184 PolarHBondContact O-N 3.04Å |
| 182 | Q | 94.4 | Very high | 90 | Very high | 88 Ų | 88 | 39.7 Ų | 39.7 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -62.6 | -25.1 | 176.1 | -62.9 | 82.8 | 0.7 | 0 | 0 | 113.7 | P180 | P180-Q182 PolarHBondContact O-N 3.43Å; P180-Q182 VanDerWaalsContact O-N 3.13Å |
| 183 | G | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -104 | 16.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I41 P180 A181 I185 E186 F187 | I41-G183 WeakPolarHBondContact CD1-O 3.29Å; P180-G183 PolarHBondContact O-N 3.09Å; A181-G183 PolarHBondContact O-N 2.91Å; G183-I185 VanDerWaalsContact C-N 3.33Å; G183-E186 VanDerWaalsContact C-OE2 3.31Å; G183-E186 VanDerWaalsContact CA-OE2 3.22Å; G183-E186 WeakPolarHBondContact CA-OE2 3.26Å; G183-F187 VanDerWaalsContact O-CB 3.3Å; G183-F187 WeakPolarHBondContact O-CB 3.42Å; G183-F187 PolarHBondContact O-N 3.41Å |
| 184 | L | 97.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.4 | -31.6 | -177.3 | -70 | 173.6 | 0 | 0 | 0 | 112.4 | L93 F96 I97 L153 L179 A181 R188 | L93-L184 HydrophobicContact CD2-CD2 3.88Å; F96-L184 HydrophobicContact CB-CD1 4.42Å; I97-L184 HydrophobicContact CD1-CB 4.2Å; I97-L184 HydrophobicContact CG1-CB 3.66Å; L153-L184 HydrophobicContact CB-CD2 3.87Å; L153-L184 HydrophobicContact CD2-CD2 3.67Å; L153-L184 HydrophobicContact CG-CD2 4.43Å; L179-L184 HydrophobicContact CB-CD2 4.25Å; L179-L184 HydrophobicContact CD2-CD2 4.26Å; A181-L184 HydrophobicContact CB-CD1 4.23Å; A181-L184 WeakPolarHBondContact O-CG 3.43Å; A181-L184 PolarHBondContact O-N 3.04Å; L184-R188 VanDerWaalsContact O-CB 3.27Å; L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 PolarHBondContact O-N 2.91Å |
| 185 | I | 97.3 | Very high | 95.7 | Very high | 81 Ų | 81 | 32 Ų | 32 | 42% | 0.415 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -68.5 | -54.1 | -179.6 | -65.4 | 169.7 | 0 | 0 | 0 | 109.4 | I97 G183 F187 R188 D189 | I97-I185 HydrophobicContact CD1-CG1 3.9Å; I97-I185 HydrophobicContact CG1-CG1 4.05Å; I97-I185 HydrophobicContact CG2-CD1 4.2Å; I97-I185 HydrophobicContact CG2-CG1 3.84Å; G183-I185 VanDerWaalsContact C-N 3.33Å; I185-F187 PolarHBondContact O-N 2.64Å; I185-R188 WeakPolarHBondContact O-CB 3.38Å; I185-R188 PolarHBondContact O-N 2.67Å; I185-R188 VanDerWaalsContact O-N 3.09Å; I185-D189 WeakPolarHBondContact CG2-OD2 3.47Å; I185-D189 WeakPolarHBondContact O-CB 3.46Å; I185-D189 PolarHBondContact O-N 3.41Å |
| 186 | E | 97.9 | Very high | 96.1 | Very high | 102 Ų | 102 | 35.3 Ų | 35.3 | 48% | 0.477 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.2 | -36.1 | 179.3 | -56.7 | 93.1 | 139.4 | 0 | 0 | 111.6 | V39 G183 A190 | V39-E186 HydrophobicContact CG1-CB 3.9Å; G183-E186 VanDerWaalsContact C-OE2 3.31Å; G183-E186 VanDerWaalsContact CA-OE2 3.22Å; G183-E186 WeakPolarHBondContact CA-OE2 3.26Å; E186-A190 VanDerWaalsContact O-CB 3.26Å; E186-A190 WeakPolarHBondContact O-CB 3.26Å; E186-A190 PolarHBondContact O-N 3.41Å |
| 187 | F | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.6 | -42.4 | 175.2 | -166.8 | -82.7 | 0 | 0 | 0 | 112.5 | F46 L48 I61 L93 I177 L179 G183 I185 D189 L191 | F46-F187 HydrophobicContact CB-CD2 4.27Å; F46-F187 HydrophobicContact CB-CE2 3.95Å; F46-F187 HydrophobicContact CD1-CE2 4.06Å; F46-F187 HydrophobicContact CG-CD2 4.32Å; F46-F187 HydrophobicContact CG-CE2 4.04Å; L48-F187 HydrophobicContact CD1-CD2 4.26Å; L48-F187 HydrophobicContact CD1-CE2 3.82Å; L48-F187 HydrophobicContact CD1-CZ 4.39Å; L48-F187 HydrophobicContact CD2-CE2 4.42Å; L48-F187 HydrophobicContact CD2-CZ 4.31Å; L48-F187 HydrophobicContact CG-CE2 4.42Å; I61-F187 HydrophobicContact CD1-CE1 4.35Å; I61-F187 HydrophobicContact CD1-CZ 3.79Å; I61-F187 HydrophobicContact CG2-CE2 4.07Å; I61-F187 HydrophobicContact CG2-CZ 3.89Å; L93-F187 HydrophobicContact CD1-CD1 3.84Å; L93-F187 HydrophobicContact CD1-CE1 4.22Å; I177-F187 HydrophobicContact CD1-CZ 4.5Å; L179-F187 HydrophobicContact CD2-CB 4.13Å; L179-F187 HydrophobicContact CD2-CD1 3.6Å; L179-F187 HydrophobicContact CD2-CD2 3.53Å; L179-F187 HydrophobicContact CD2-CE1 3.75Å; L179-F187 HydrophobicContact CD2-CE2 3.66Å; L179-F187 HydrophobicContact CD2-CG 3.47Å; L179-F187 VanDerWaalsContact CD2-CG 3.47Å; L179-F187 HydrophobicContact CD2-CZ 3.75Å; L179-F187 HydrophobicContact CG-CD2 4.45Å; L179-F187 HydrophobicContact CG-CE2 4.37Å; G183-F187 VanDerWaalsContact O-CB 3.3Å; G183-F187 WeakPolarHBondContact O-CB 3.42Å; G183-F187 PolarHBondContact O-N 3.41Å; I185-F187 PolarHBondContact O-N 2.64Å; F187-D189 VanDerWaalsContact C-N 3.33Å; F187-L191 VanDerWaalsContact O-CB 3.26Å; F187-L191 WeakPolarHBondContact O-CB 3.47Å; F187-L191 PolarHBondContact O-N 3.02Å |
| 188 | R | 97.8 | Very high | 96.1 | Very high | 67 Ų | 67 | 41.2 Ų | 41.2 | 25% | 0.253 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62 | -41.5 | 173.5 | -179.2 | -157.5 | 64.5 | -168.9 | -2.2 | 110.9 | R90 L93 I97 L184 I185 L191 S192 | R90-R188 HydrophobicContact CG-CG 4.22Å; L93-R188 HydrophobicContact CB-CB 4.14Å; L93-R188 HydrophobicContact CB-CG 4.2Å; L93-R188 HydrophobicContact CD1-CB 4.34Å; I97-R188 HydrophobicContact CD1-CB 4.08Å; I97-R188 HydrophobicContact CD1-CG 4.47Å; L184-R188 VanDerWaalsContact O-CB 3.27Å; L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 PolarHBondContact O-N 2.91Å; I185-R188 WeakPolarHBondContact O-CB 3.38Å; I185-R188 PolarHBondContact O-N 2.67Å; I185-R188 VanDerWaalsContact O-N 3.09Å; R188-L191 WeakPolarHBondContact O-CB 3.49Å; R188-L191 PolarHBondContact O-N 3.23Å; R188-S192 WeakPolarHBondContact O-CB 3.44Å; R188-S192 PolarHBondContact O-N 3.49Å; R188-S192 PolarHBondContact O-OG 3.48Å |
| 189 | D | 97.8 | Very high | 95.5 | Very high | 59 Ų | 59 | 40.5 Ų | 40.5 | 32% | 0.316 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -74.9 | -41.3 | -174.4 | -63.8 | -9.5 | 0 | 0 | 0 | 110.7 | I185 F187 L191 S192 Q193 | I185-D189 WeakPolarHBondContact CG2-OD2 3.47Å; I185-D189 WeakPolarHBondContact O-CB 3.46Å; I185-D189 PolarHBondContact O-N 3.41Å; F187-D189 VanDerWaalsContact C-N 3.33Å; D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 2.92Å; D189-S192 WeakPolarHBondContact O-CB 3.27Å; D189-S192 PolarHBondContact O-N 3.24Å; D189-Q193 WeakPolarHBondContact O-CG 3.22Å; D189-Q193 PolarHBondContact O-N 3.01Å; D189-Q193 VanDerWaalsContact O-N 3.08Å |
| 190 | A | 97.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 10% | 0.099 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -40 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | V39 E186 L194 | V39-A190 HydrophobicContact CG2-CB 3.63Å; E186-A190 VanDerWaalsContact O-CB 3.26Å; E186-A190 WeakPolarHBondContact O-CB 3.26Å; E186-A190 PolarHBondContact O-N 3.41Å; A190-L194 WeakPolarHBondContact O-CG 3.3Å; A190-L194 PolarHBondContact O-N 2.99Å |
| 191 | L | 97.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -39.2 | 174.6 | -179.8 | 62.9 | 0 | 0 | 0 | 112.2 | L48 L59 A86 L89 R90 L93 F187 R188 D189 L194 I195 | L48-L191 HydrophobicContact CD2-CB 4.45Å; L59-L191 HydrophobicContact CD2-CD1 3.32Å; A86-L191 HydrophobicContact CB-CD1 4.18Å; L89-L191 HydrophobicContact CB-CD2 4.21Å; L89-L191 HydrophobicContact CD2-CD2 3.91Å; L89-L191 HydrophobicContact CG-CD2 3.75Å; R90-L191 HydrophobicContact CB-CD2 4.02Å; R90-L191 HydrophobicContact CB-CG 4.43Å; L93-L191 HydrophobicContact CD1-CD2 3.89Å; F187-L191 VanDerWaalsContact O-CB 3.26Å; F187-L191 WeakPolarHBondContact O-CB 3.47Å; F187-L191 PolarHBondContact O-N 3.02Å; R188-L191 WeakPolarHBondContact O-CB 3.49Å; R188-L191 PolarHBondContact O-N 3.23Å; D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 2.92Å; L191-L194 PolarHBondContact O-N 2.83Å; L191-I195 HydrophobicContact CD1-CD1 4.21Å; L191-I195 HydrophobicContact CG-CD1 3.89Å; L191-I195 WeakPolarHBondContact O-CD1 3.47Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.21Å; L191-I195 PolarHBondContact O-N 3.26Å |
| 192 | S | 97.3 | Very high | 90.2 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.7 | -52.1 | 179.1 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | R90 R188 D189 L194 I195 E196 | R90-S192 WeakPolarHBondContact CD-OG 3.05Å; R90-S192 PolarHBondContact NE-OG 3.33Å; R188-S192 WeakPolarHBondContact O-CB 3.44Å; R188-S192 PolarHBondContact O-N 3.49Å; R188-S192 PolarHBondContact O-OG 3.48Å; D189-S192 WeakPolarHBondContact O-CB 3.27Å; D189-S192 PolarHBondContact O-N 3.24Å; S192-L194 VanDerWaalsContact C-N 3.3Å; S192-L194 PolarHBondContact O-N 3.23Å; S192-I195 WeakPolarHBondContact O-CA 3.48Å; S192-I195 WeakPolarHBondContact O-CB 3.44Å; S192-I195 PolarHBondContact O-N 2.95Å; S192-E196 WeakPolarHBondContact O-CG 3.28Å; S192-E196 PolarHBondContact O-N 2.84Å |
| 193 | Q | 96.3 | Very high | 87.9 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 176.9 | -61.7 | 169.9 | 4.6 | 0 | 0 | 111.8 | D189 I195 E196 D197 | D189-Q193 WeakPolarHBondContact O-CG 3.22Å; D189-Q193 PolarHBondContact O-N 3.01Å; D189-Q193 VanDerWaalsContact O-N 3.08Å; Q193-I195 VanDerWaalsContact C-N 3.25Å; Q193-I195 PolarHBondContact O-N 2.96Å; Q193-E196 PolarHBondContact O-N 3.35Å; Q193-D197 VanDerWaalsContact O-CB 3.24Å; Q193-D197 WeakPolarHBondContact O-CB 3.48Å; Q193-D197 PolarHBondContact O-N 2.66Å |
| 194 | L | 95.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.1 | -24.9 | 176.3 | -70.6 | 173.9 | 0 | 0 | 0 | 113.7 | A35 K37 L48 V50 L59 M83 A190 L191 S192 Y198 | A35-L194 HydrophobicContact CB-CD2 3.93Å; K37-L194 HydrophobicContact CB-CD1 4.36Å; K37-L194 HydrophobicContact CD-CD1 4.45Å; K37-L194 HydrophobicContact CD-CD2 3.85Å; K37-L194 HydrophobicContact CD-CG 3.92Å; K37-L194 HydrophobicContact CG-CD2 4.03Å; K37-L194 HydrophobicContact CG-CG 4.38Å; L48-L194 HydrophobicContact CB-CD1 3.69Å; L48-L194 HydrophobicContact CD2-CD1 4.14Å; V50-L194 HydrophobicContact CG2-CB 4.06Å; V50-L194 HydrophobicContact CG2-CD1 4.09Å; V50-L194 HydrophobicContact CG2-CD2 3.83Å; V50-L194 HydrophobicContact CG2-CG 4.2Å; L59-L194 HydrophobicContact CD1-CD1 4.31Å; M83-L194 WeakPolarHBondContact CE-O 3.38Å; A190-L194 WeakPolarHBondContact O-CG 3.3Å; A190-L194 PolarHBondContact O-N 2.99Å; L191-L194 PolarHBondContact O-N 2.83Å; S192-L194 VanDerWaalsContact C-N 3.3Å; S192-L194 PolarHBondContact O-N 3.23Å; L194-Y198 HydrophobicContact CD2-CD2 4.21Å; L194-Y198 HydrophobicContact CD2-CE2 4.24Å; L194-Y198 WeakPolarHBondContact O-CB 3.47Å; L194-Y198 PolarHBondContact O-N 2.77Å |
| 195 | I | 95.1 | Very high | 83.1 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -78.2 | -41.5 | 172.5 | -67.1 | 158.5 | 0 | 0 | 0 | 109.9 | A86 P87 R90 L191 S192 Q193 G199 | A86-I195 VanDerWaalsContact C-CD1 3.49Å; A86-I195 HydrophobicContact CB-CD1 3.83Å; A86-I195 HydrophobicContact CB-CG1 3.7Å; A86-I195 WeakPolarHBondContact O-CD1 3.35Å; P87-I195 HydrophobicContact CG-CG2 4.12Å; R90-I195 HydrophobicContact CB-CD1 3.88Å; R90-I195 HydrophobicContact CG-CD1 4.43Å; L191-I195 HydrophobicContact CD1-CD1 4.21Å; L191-I195 HydrophobicContact CG-CD1 3.89Å; L191-I195 WeakPolarHBondContact O-CD1 3.47Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.21Å; L191-I195 PolarHBondContact O-N 3.26Å; S192-I195 WeakPolarHBondContact O-CA 3.48Å; S192-I195 WeakPolarHBondContact O-CB 3.44Å; S192-I195 PolarHBondContact O-N 2.95Å; Q193-I195 VanDerWaalsContact C-N 3.25Å; Q193-I195 PolarHBondContact O-N 2.96Å; I195-G199 WeakPolarHBondContact O-CA 3.41Å; I195-G199 PolarHBondContact O-N 2.84Å |
| 196 | E | 94.3 | Very high | 80.7 | Confident | 126 Ų | 126 | 68.6 Ų | 68.6 | 59% | 0.589 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 175.2 | -68.3 | 150.1 | -155.6 | 0 | 0 | 111.4 | R90 S192 Q193 | R90-E196 IonicContact NH2-OE1 3.93Å; S192-E196 WeakPolarHBondContact O-CG 3.28Å; S192-E196 PolarHBondContact O-N 2.84Å; Q193-E196 PolarHBondContact O-N 3.35Å |
| 197 | D | 93.2 | Very high | 78.1 | Confident | 91 Ų | 91 | 66.1 Ų | 66.1 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -74.9 | -31.7 | -179.6 | -63.2 | -33.5 | 0 | 0 | 0 | 113 | K37 Q193 | K37-D197 IonicContact NZ-OD2 3.08Å; K37-D197 PolarHBondContact NZ-OD2 2.96Å; Q193-D197 VanDerWaalsContact O-CB 3.24Å; Q193-D197 WeakPolarHBondContact O-CB 3.48Å; Q193-D197 PolarHBondContact O-N 2.66Å |
| 198 | Y | 92.7 | Very high | 75.4 | Confident | 63 Ų | 63 | 77.8 Ų | 77.8 | 25% | 0.247 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -142.2 | 6 | -166.9 | -56 | -78.4 | 0 | 0 | 0 | 116.9 | L34 A35 V50 R57 L194 | L34-Y198 HydrophobicContact CB-CD1 4.04Å; L34-Y198 HydrophobicContact CB-CE1 3.88Å; L34-Y198 HydrophobicContact CD1-CD1 4.15Å; L34-Y198 PolarHBondContact O-OH 3.32Å; A35-Y198 HydrophobicContact CB-CD2 4.19Å; A35-Y198 HydrophobicContact CB-CE2 3.37Å; V50-Y198 HydrophobicContact CB-CD2 4.46Å; V50-Y198 HydrophobicContact CG1-CD2 4.4Å; V50-Y198 HydrophobicContact CG1-CG 4.08Å; V50-Y198 HydrophobicContact CG2-CD2 4.29Å; R57-Y198 WeakPolarHBondContact CD-O 3.38Å; R57-Y198 VanDerWaalsContact NH1-C 3.35Å; R57-Y198 PolarHBondContact NH1-O 3.13Å; L194-Y198 HydrophobicContact CD2-CD2 4.21Å; L194-Y198 HydrophobicContact CD2-CE2 4.24Å; L194-Y198 WeakPolarHBondContact O-CB 3.47Å; L194-Y198 PolarHBondContact O-N 2.77Å |
| 199 | G | 82.4 | Confident | 73 | Confident | 24 Ų | 24 | 83.5 Ų | 83.5 | 25% | 0.247 | 43% | 0.426 | C | S | . | . | trans | -73.9 | -37.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I195 E201 | I195-G199 WeakPolarHBondContact O-CA 3.41Å; I195-G199 PolarHBondContact O-N 2.84Å; G199-E201 PolarHBondContact O-N 3.01Å | ||
| 200 | D | 64.9 | Low | 70.1 | Confident | 99 Ų | 99 | 84.1 Ų | 84.1 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 89.3 | -171.2 | -67.2 | -40.8 | 0 | 0 | 0 | 112.7 | A203 | D200-A203 WeakPolarHBondContact OD1-CB 3.01Š|
| 201 | E | 59.1 | Low | 67.2 | Low | 87 Ų | 87 | 88.5 Ų | 88.5 | 41% | 0.407 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123 | -11.2 | 154.9 | -113.7 | 174.8 | -162.4 | 0 | 0 | 112.7 | Q52 R57 G199 | Q52-E201 PolarHBondContact NE2-OE1 2.85Å; Q52-E201 PolarHBondContact NE2-OE2 2.87Å; Q52-E201 VanDerWaalsContact NE2-OE2 3.16Å; R57-E201 WeakPolarHBondContact CG-OE2 3.42Å; R57-E201 IonicContact CZ-OE1 2.67Å; R57-E201 IonicContact CZ-OE2 3.36Å; R57-E201 IonicContact NE-OE1 2.75Å; R57-E201 PolarHBondContact NE-OE1 2.82Å; R57-E201 IonicContact NE-OE2 2.77Å; R57-E201 PolarHBondContact NE-OE2 2.84Å; R57-E201 IonicContact NH2-OE1 2.66Å; R57-E201 PolarHBondContact NH2-OE1 2.91Å; R57-E201 IonicContact NH2-OE2 2.7Å; G199-E201 PolarHBondContact O-N 3.01Å |
| 202 | E | 50.5 | Low | 64.5 | Low | 127 Ų | 127 | 100.8 Ų | 100.8 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -96.6 | -16.5 | 173.2 | -73.2 | 179 | -173.4 | 0 | 0 | 113.3 | S84 R135 | S84-E202 VanDerWaalsContact CB-OE2 3.31Å; S84-E202 WeakPolarHBondContact CB-OE2 3.25Å; S84-E202 PolarHBondContact OG-OE1 3.21Å; R135-E202 IonicContact CZ-OE2 3.95Å; R135-E202 IonicContact NH1-OE2 3.01Å; R135-E202 IonicContact NH2-OE1 2.59Å; R135-E202 PolarHBondContact NH2-OE1 3.25Å; R135-E202 IonicContact NH2-OE2 3.32Å; R135-E202 PolarHBondContact NH2-OE2 2.86Å |
| 203 | A | 46.4 | Very low | 62 | Low | 62 Ų | 62 | 106.2 Ų | 106.2 | 51% | 0.512 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -99.6 | -20.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D200 E205 | D200-A203 WeakPolarHBondContact OD1-CB 3.01Å; A203-E205 PolarHBondContact O-N 2.79Å |
| 204 | D | 43.6 | Very low | 59.4 | Low | 77 Ų | 77 | 110.2 Ų | 110.2 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -67.8 | -13.9 | -172.6 | -95.5 | -2.1 | 0 | 0 | 0 | 114.9 | H206 R214 | D204-H206 VanDerWaalsContact C-N 3.25Å; D204-H206 PolarHBondContact O-N 3.43Å; D204-R214 IonicContact OD2-CZ 3.33Å; D204-R214 IonicContact OD2-NH1 2.72Å; D204-R214 PolarHBondContact OD2-NH1 3.04Å; D204-R214 IonicContact OD2-NH2 3.33Å; D204-R214 PolarHBondContact OD2-NH2 2.99Å |
| 205 | E | 49.4 | Very low | 57 | Low | 145 Ų | 145 | 118.4 Ų | 118.4 | 68% | 0.678 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -72.1 | -16.7 | -169.9 | -155.9 | -172.6 | 144.6 | 0 | 0 | 113.7 | A203 | A203-E205 PolarHBondContact O-N 2.79Š|
| 206 | H | 48.2 | Very low | 54.8 | Low | 174 Ų | 174 | 124.4 Ų | 124.4 | 81% | 0.806 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -123.1 | 11.5 | -173.1 | -69.3 | 78.9 | 0 | 0 | 0 | 114.4 | D204 | D204-H206 VanDerWaalsContact C-N 3.25Å; D204-H206 PolarHBondContact O-N 3.43Å |
| 207 | G | 42.3 | Very low | 52.7 | Low | 49 Ų | 49 | 124.2 Ų | 124.2 | 51% | 0.505 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -138.2 | 69.7 | -161.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 208 | R | 41.8 | Very low | 51.1 | Low | 245 Ų | 245 | 123.4 Ų | 123.4 | 93% | 0.925 | 65% | 0.645 | S | S | * | * | trans | 73 | 99.5 | 159.7 | -53.1 | -179 | 177.2 | -160.5 | -2 | 118.6 | G210 | R208-G210 PolarHBondContact O-N 2.84Š| ||
| 209 | L | 47.2 | Very low | 49.9 | Very low | 187 Ų | 187 | 128.8 Ų | 128.8 | 98% | 0.979 | 67% | 0.672 | S | S | * | * | trans | 28.4 | 89.7 | 131.3 | -167 | 73.2 | 0 | 0 | 0 | 117.7 | ||||
| 210 | G | 36 | Very low | 49.9 | Very low | 72 Ų | 72 | 130.1 Ų | 130.1 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | trans | -174 | 121.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R208 | R208-G210 PolarHBondContact O-N 2.84Š| ||
| 211 | S | 36.9 | Very low | 50.7 | Low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | trans | 71.5 | 70.4 | 158.8 | -134.5 | 0 | 0 | 0 | 0 | 120.6 | T213 | S211-T213 VanDerWaalsContact C-N 3.31Å; S211-T213 PolarHBondContact O-N 2.98Å | ||
| 212 | R | 41.2 | Very low | 51.5 | Low | 258 Ų | 258 | 134.3 Ų | 134.3 | 97% | 0.974 | 70% | 0.697 | S | S | * | * | S | Bend | 44.1 | 16 | 118.6 | -58.4 | -175.5 | 74.5 | 158.3 | 2.5 | 122.6 | |||
| 213 | T | 44.3 | Very low | 53 | Low | 122 Ų | 122 | 130.6 Ų | 130.6 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | trans | -131.8 | 10.2 | -178.8 | -28.9 | 0 | 0 | 0 | 0 | 115.2 | S211 | S211-T213 VanDerWaalsContact C-N 3.31Å; S211-T213 PolarHBondContact O-N 2.98Å | ||
| 214 | R | 42.9 | Very low | 54.8 | Low | 175 Ų | 175 | 130.5 Ų | 130.5 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | trans | -100.6 | 17.1 | -169 | -116.2 | 178 | 177.7 | 139 | -3.6 | 116.3 | D204 | D204-R214 IonicContact OD2-CZ 3.33Å; D204-R214 IonicContact OD2-NH1 2.72Å; D204-R214 PolarHBondContact OD2-NH1 3.04Å; D204-R214 IonicContact OD2-NH2 3.33Å; D204-R214 PolarHBondContact OD2-NH2 2.99Å | ||
| 215 | L | 44.2 | Very low | 57.1 | Low | 173 Ų | 173 | 129.5 Ų | 129.5 | 91% | 0.906 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -81.2 | -14.3 | -177.3 | -81.5 | 171.3 | 0 | 0 | 0 | 115.6 | ||
| 216 | D | 49.2 | Very low | 58.9 | Low | 152 Ų | 152 | 127.6 Ų | 127.6 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -103.8 | 0.6 | -165.9 | -69.6 | -30.9 | 0 | 0 | 0 | 116.2 | ||
| 217 | N | 50.3 | Low | 61 | Low | 121 Ų | 121 | 126.7 Ų | 126.7 | 65% | 0.647 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -118.1 | 97.6 | 176.5 | -157.9 | 36.3 | 0 | 0 | 0 | 110.3 | S239 | N217-S239 PolarHBondContact OD1-OG 3.24Š|
| 218 | P | 58.7 | Low | 63.3 | Low | 74 Ų | 74 | 127.5 Ų | 127.5 | 48% | 0.481 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 137.3 | 179.9 | 27 | -33.9 | 0 | 0 | 0 | 110.2 | L220 V244 | P218-L220 HydrophobicContact CG-CD2 4.36Å; P218-L220 WeakPolarHBondContact O-CD2 3.31Å; P218-L220 WeakPolarHBondContact O-CG 3.34Å; P218-L220 PolarHBondContact O-N 3.39Å; P218-V244 HydrophobicContact CG-CG2 4.19Å |
| 219 | E | 68.7 | Low | 65.7 | Low | 176 Ų | 176 | 122.6 Ų | 122.6 | 82% | 0.822 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -58 | 127.8 | 170.4 | -163.9 | -175.2 | 166.6 | 0 | 0 | 109.3 | ||
| 220 | L | 81.9 | Confident | 67.6 | Low | 53 Ų | 53 | 118.5 Ų | 118.5 | 28% | 0.277 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -101.3 | 140 | -172.3 | -58.8 | -178.1 | 0 | 0 | 0 | 110.4 | P218 V237 V244 | P218-L220 HydrophobicContact CG-CD2 4.36Å; P218-L220 WeakPolarHBondContact O-CD2 3.31Å; P218-L220 WeakPolarHBondContact O-CG 3.34Å; P218-L220 PolarHBondContact O-N 3.39Å; L220-V237 HydrophobicContact CB-CG1 4.34Å; L220-V237 HydrophobicContact CD2-CG1 4.18Å; L220-V244 HydrophobicContact CD2-CG1 4.35Å; L220-V244 HydrophobicContact CD2-CG2 4.19Å |
| 221 | P | 80.9 | Confident | 70.4 | Confident | 83 Ų | 83 | 118.8 Ų | 118.8 | 54% | 0.539 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 152.8 | -178.8 | 28.6 | -36.9 | 0 | 0 | 0 | 112.3 | V237 | P221-V237 HydrophobicContact CG-CB 4.04Å; P221-V237 HydrophobicContact CG-CG1 4.19Å; P221-V237 HydrophobicContact CG-CG2 3.85Å |
| 222 | E | 76.1 | Confident | 73.1 | Confident | 191 Ų | 191 | 118.4 Ų | 118.4 | 89% | 0.893 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -57 | 140.7 | 179.6 | -165.6 | -174.7 | 169.7 | 0 | 0 | 112.3 | A224 | E222-A224 PolarHBondContact O-N 3.01Š|
| 223 | A | 83.3 | Confident | 75.7 | Confident | 49 Ų | 49 | 108.4 Ų | 108.4 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -74.3 | 117.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F235 | A223-F235 WeakPolarHBondContact CA-O 3.28Š|
| 224 | A | 83.9 | Confident | 78.1 | Confident | 59 Ų | 59 | 106.1 Ų | 106.1 | 49% | 0.488 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 149.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E222 F235 | E222-A224 PolarHBondContact O-N 3.01Å; A224-F235 HydrophobicContact CB-CB 4.25Å; A224-F235 PolarHBondContact N-O 2.59Å; A224-F235 PolarHBondContact O-N 3.18Å |
| 225 | S | 91.4 | Very high | 80.6 | Confident | 56 Ų | 56 | 100.4 Ų | 100.4 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 146.4 | 168.2 | 78.1 | 0 | 0 | 0 | 0 | 112.5 | F233 | S225-F233 WeakPolarHBondContact CA-O 3.27Å; S225-F233 VanDerWaalsContact CB-O 3.24Å; S225-F233 WeakPolarHBondContact CB-O 3.29Å |
| 226 | F | 88 | Confident | 82.9 | Confident | 106 Ų | 106 | 92.5 Ų | 92.5 | 47% | 0.465 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 166.3 | 173.8 | 65 | -97.2 | 0 | 0 | 0 | 111.5 | V228 R232 F233 F235 | F226-V228 HydrophobicContact CD2-CG2 3.79Å; F226-V228 HydrophobicContact CE2-CG2 3.67Å; F226-R232 WeakPolarHBondContact O-CA 3.3Å; F226-R232 WeakPolarHBondContact O-CG 3.41Å; F226-F233 HydrophobicContact CD2-CD2 4.21Å; F226-F233 HydrophobicContact CE1-CB 4.3Å; F226-F233 HydrophobicContact CE2-CB 4.22Å; F226-F233 AromaticContact CE2-CD2 3.64Å; F226-F233 HydrophobicContact CE2-CD2 3.64Å; F226-F233 HydrophobicContact CE2-CE2 4.4Å; F226-F233 HydrophobicContact CE2-CG 4.2Å; F226-F233 HydrophobicContact CZ-CB 4.08Å; F226-F233 HydrophobicContact CZ-CD2 4.13Å; F226-F233 HydrophobicContact CZ-CG 4.26Å; F226-F233 PolarHBondContact N-O 3.05Å; F226-F233 PolarHBondContact O-N 2.79Å; F226-F235 AromaticContact CD1-CE2 3.84Å; F226-F235 HydrophobicContact CD1-CE2 3.84Å; F226-F235 HydrophobicContact CE1-CD2 4.35Å; F226-F235 AromaticContact CE1-CE2 3.31Å; F226-F235 HydrophobicContact CE1-CE2 3.31Å; F226-F235 AromaticContact CE1-CZ 3.7Å; F226-F235 HydrophobicContact CE1-CZ 3.7Å; F226-F235 HydrophobicContact CZ-CE2 4.1Å; F226-F235 HydrophobicContact CZ-CZ 4.22Å |
| 227 | R | 91.1 | Very high | 84.9 | Confident | 155 Ų | 155 | 86.2 Ų | 86.2 | 59% | 0.585 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.3 | -179.7 | -174 | -175 | 172.8 | 136.2 | 7.5 | 109.9 | D229 K231 | R227-D229 VanDerWaalsContact CZ-O 3.28Å; R227-D229 PolarHBondContact NE-O 3.26Å; R227-D229 PolarHBondContact NH2-O 2.85Å; R227-K231 WeakPolarHBondContact CA-O 3.47Å; R227-K231 VanDerWaalsContact CG-O 3.3Å; R227-K231 WeakPolarHBondContact CG-O 3.22Å |
| 228 | V | 91.4 | Very high | 86.6 | Confident | 65 Ų | 65 | 80.5 Ų | 80.5 | 39% | 0.394 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 126.9 | 168.7 | -175.3 | 0 | 0 | 0 | 0 | 107.1 | F226 N230 K231 F233 | F226-V228 HydrophobicContact CD2-CG2 3.79Å; F226-V228 HydrophobicContact CE2-CG2 3.67Å; V228-N230 PolarHBondContact O-N 2.84Å; V228-K231 PolarHBondContact N-O 2.8Å; V228-K231 CarbonylContact O-C 3.59Å; V228-K231 WeakPolarHBondContact O-CA 3.31Å; V228-K231 WeakPolarHBondContact O-CB 3.44Å; V228-K231 PolarHBondContact O-N 2.96Å; V228-F233 HydrophobicContact CB-CE2 4.38Å; V228-F233 HydrophobicContact CG2-CE2 4.42Å |
| 229 | D | 90.9 | Very high | 87.9 | Confident | 142 Ų | 142 | 78.3 Ų | 78.3 | 76% | 0.759 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | -120.2 | -177.1 | -49.3 | -38.9 | 0 | 0 | 0 | 113.4 | R227 | R227-D229 VanDerWaalsContact CZ-O 3.28Å; R227-D229 PolarHBondContact NE-O 3.26Å; R227-D229 PolarHBondContact NH2-O 2.85Å |
| 230 | N | 89.2 | Confident | 88.4 | Confident | 101 Ų | 101 | 73.2 Ų | 73.2 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 21.2 | 174.5 | -161.1 | 21 | 0 | 0 | 0 | 113 | V228 | V228-N230 PolarHBondContact O-N 2.84Š|
| 231 | K | 93.7 | Very high | 88.3 | Confident | 79 Ų | 79 | 79 Ų | 79 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 143.6 | 176.8 | -59.4 | -176.8 | 174.6 | -154.9 | 0 | 110.2 | R227 V228 F233 E250 V251 R252 | R227-K231 WeakPolarHBondContact CA-O 3.47Å; R227-K231 VanDerWaalsContact CG-O 3.3Å; R227-K231 WeakPolarHBondContact CG-O 3.22Å; V228-K231 PolarHBondContact N-O 2.8Å; V228-K231 CarbonylContact O-C 3.59Å; V228-K231 WeakPolarHBondContact O-CA 3.31Å; V228-K231 WeakPolarHBondContact O-CB 3.44Å; V228-K231 PolarHBondContact O-N 2.96Å; K231-F233 HydrophobicContact CB-CE2 3.97Å; K231-F233 HydrophobicContact CB-CZ 4.26Å; K231-F233 HydrophobicContact CD-CE2 4.49Å; K231-F233 HydrophobicContact CD-CZ 4.09Å; K231-E250 HydrophobicContact CD-CG 4.3Å; K231-E250 VanDerWaalsContact CD-OE1 3.22Å; K231-E250 WeakPolarHBondContact CD-OE1 3.43Å; K231-E250 WeakPolarHBondContact CE-OE1 3.49Å; K231-E250 IonicContact NZ-OE1 3.78Å; K231-E250 PolarHBondContact NZ-OE1 2.94Å; K231-E250 IonicContact NZ-OE2 2.66Å; K231-V251 WeakPolarHBondContact CA-O 3.46Å; K231-R252 HydrophobicContact CG-CB 4.37Å |
| 232 | R | 94.3 | Very high | 88.4 | Confident | 97 Ų | 97 | 83.5 Ų | 83.5 | 37% | 0.366 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.6 | 167.7 | -175.4 | 179.7 | -77.9 | -100.8 | 5.7 | 109.2 | F226 Y234 V251 | F226-R232 WeakPolarHBondContact O-CA 3.3Å; F226-R232 WeakPolarHBondContact O-CG 3.41Å; R232-Y234 HydrophobicContact CB-CE2 4.27Å; R232-Y234 WeakPolarHBondContact CD-OH 3.46Å; R232-Y234 HydrophobicContact CG-CD2 4.26Å; R232-Y234 HydrophobicContact CG-CE2 3.76Å; R232-V251 PolarHBondContact N-O 3.48Å; R232-V251 PolarHBondContact O-N 3.46Å |
| 233 | F | 95.8 | Very high | 88.8 | Confident | 48 Ų | 48 | 76.1 Ų | 76.1 | 21% | 0.211 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.6 | 176.5 | -62.4 | -85.8 | 0 | 0 | 0 | 109.3 | S225 F226 V228 K231 F235 S249 E250 | S225-F233 WeakPolarHBondContact CA-O 3.27Å; S225-F233 VanDerWaalsContact CB-O 3.24Å; S225-F233 WeakPolarHBondContact CB-O 3.29Å; F226-F233 HydrophobicContact CD2-CD2 4.21Å; F226-F233 HydrophobicContact CE1-CB 4.3Å; F226-F233 HydrophobicContact CE2-CB 4.22Å; F226-F233 AromaticContact CE2-CD2 3.64Å; F226-F233 HydrophobicContact CE2-CD2 3.64Å; F226-F233 HydrophobicContact CE2-CE2 4.4Å; F226-F233 HydrophobicContact CE2-CG 4.2Å; F226-F233 HydrophobicContact CZ-CB 4.08Å; F226-F233 HydrophobicContact CZ-CD2 4.13Å; F226-F233 HydrophobicContact CZ-CG 4.26Å; F226-F233 PolarHBondContact N-O 3.05Å; F226-F233 PolarHBondContact O-N 2.79Å; V228-F233 HydrophobicContact CB-CE2 4.38Å; V228-F233 HydrophobicContact CG2-CE2 4.42Å; K231-F233 HydrophobicContact CB-CE2 3.97Å; K231-F233 HydrophobicContact CB-CZ 4.26Å; K231-F233 HydrophobicContact CD-CE2 4.49Å; K231-F233 HydrophobicContact CD-CZ 4.09Å; F233-F235 HydrophobicContact CB-CE2 3.7Å; F233-F235 HydrophobicContact CB-CZ 4.27Å; F233-S249 WeakPolarHBondContact CA-O 3.29Å; F233-E250 HydrophobicContact CD1-CB 4.09Å; F233-E250 HydrophobicContact CD1-CG 4.33Å; F233-E250 HydrophobicContact CE1-CB 3.82Å; F233-E250 HydrophobicContact CE1-CG 3.72Å; F233-E250 HydrophobicContact CZ-CG 4.15Å |
| 234 | Y | 93.6 | Very high | 89.2 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 29% | 0.286 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.1 | 174.1 | -61.7 | -96.7 | 0 | 0 | 0 | 109.8 | R232 I248 S249 V251 | R232-Y234 HydrophobicContact CB-CE2 4.27Å; R232-Y234 WeakPolarHBondContact CD-OH 3.46Å; R232-Y234 HydrophobicContact CG-CD2 4.26Å; R232-Y234 HydrophobicContact CG-CE2 3.76Å; Y234-I248 CarbonylContact O-C 3.55Å; Y234-I248 WeakPolarHBondContact O-CA 3.49Å; Y234-S249 PolarHBondContact N-O 3.23Å; Y234-S249 PolarHBondContact O-N 2.71Å; Y234-V251 HydrophobicContact CD2-CG2 3.92Å; Y234-V251 HydrophobicContact CE2-CB 4.24Å; Y234-V251 HydrophobicContact CE2-CG2 3.74Å |
| 235 | F | 95.6 | Very high | 89.6 | Confident | 55 Ų | 55 | 73.7 Ų | 73.7 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 83.9 | -179 | -63.1 | -97.7 | 0 | 0 | 0 | 107 | A223 A224 F226 F233 L246 I248 | A223-F235 WeakPolarHBondContact CA-O 3.28Å; A224-F235 HydrophobicContact CB-CB 4.25Å; A224-F235 PolarHBondContact N-O 2.59Å; A224-F235 PolarHBondContact O-N 3.18Å; F226-F235 AromaticContact CD1-CE2 3.84Å; F226-F235 HydrophobicContact CD1-CE2 3.84Å; F226-F235 HydrophobicContact CE1-CD2 4.35Å; F226-F235 AromaticContact CE1-CE2 3.31Å; F226-F235 HydrophobicContact CE1-CE2 3.31Å; F226-F235 AromaticContact CE1-CZ 3.7Å; F226-F235 HydrophobicContact CE1-CZ 3.7Å; F226-F235 HydrophobicContact CZ-CE2 4.1Å; F226-F235 HydrophobicContact CZ-CZ 4.22Å; F233-F235 HydrophobicContact CB-CE2 3.7Å; F233-F235 HydrophobicContact CB-CZ 4.27Å; F235-L246 HydrophobicContact CB-CD1 4.09Å; F235-I248 HydrophobicContact CD1-CD1 4.3Å; F235-I248 HydrophobicContact CD1-CG1 3.95Å; F235-I248 HydrophobicContact CD1-CG2 4.28Å; F235-I248 HydrophobicContact CE1-CD1 4.1Å; F235-I248 HydrophobicContact CE1-CG1 4.1Å; F235-I248 HydrophobicContact CE1-CG2 3.86Å; F235-I248 HydrophobicContact CZ-CG2 4.2Å |
| 236 | D | 92.2 | Very high | 89.8 | Confident | 8 Ų | 8 | 72.6 Ų | 72.6 | 4% | 0.043 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 117.2 | 178.6 | -46.1 | -82.1 | 0 | 0 | 0 | 108.6 | R55 K247 | R55-D236 IonicContact NH1-OD1 3.55Å; D236-K247 HydrophobicContact CB-CB 4.28Å; D236-K247 PolarHBondContact N-O 3.08Å; D236-K247 WeakPolarHBondContact O-CB 3.2Å; D236-K247 PolarHBondContact O-N 3.13Å |
| 237 | V | 91.4 | Very high | 90.2 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 12% | 0.121 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 140.3 | 166.1 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | L220 P221 V244 F245 L246 W266 | L220-V237 HydrophobicContact CB-CG1 4.34Å; L220-V237 HydrophobicContact CD2-CG1 4.18Å; P221-V237 HydrophobicContact CG-CB 4.04Å; P221-V237 HydrophobicContact CG-CG1 4.19Å; P221-V237 HydrophobicContact CG-CG2 3.85Å; V237-V244 HydrophobicContact CG1-CG1 3.75Å; V237-F245 WeakPolarHBondContact CA-O 3.42Å; V237-L246 HydrophobicContact CG2-CD1 3.86Å; V237-W266 HydrophobicContact CB-CH2 4.48Å; V237-W266 HydrophobicContact CG1-CH2 3.81Å; V237-W266 HydrophobicContact CG1-CZ2 4.3Å; V237-W266 HydrophobicContact CG2-CH2 3.76Å; V237-W266 HydrophobicContact CG2-CZ2 4.31Å |
| 238 | G | 86.3 | Confident | 90.4 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 153.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | V244 F245 | G238-V244 CarbonylContact O-C 3.57Å; G238-V244 WeakPolarHBondContact O-CA 3.48Å; G238-F245 PolarHBondContact N-O 3.28Å; G238-F245 WeakPolarHBondContact O-CD1 3.4Å; G238-F245 PolarHBondContact O-N 3.04Å |
| 239 | S | 85.6 | Confident | 90.6 | Very high | 29 Ų | 29 | 59.5 Ų | 59.5 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 152.6 | 168.9 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | N217 | N217-S239 PolarHBondContact OD1-OG 3.24Å |
| 240 | N | 79.8 | Confident | 90.8 | Very high | 68 Ų | 68 | 55 Ų | 55 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | -177.7 | 164.3 | 66.9 | 46.9 | 0 | 0 | 0 | 109.3 | Y242 G243 F245 | N240-Y242 PolarHBondContact O-N 2.93Å; N240-Y242 WeakPolarHBondContact OD1-CA 3.21Å; N240-Y242 VanDerWaalsContact OD1-CB 3.27Å; N240-Y242 WeakPolarHBondContact OD1-CB 3.2Å; N240-Y242 PolarHBondContact OD1-N 3.11Å; N240-G243 PolarHBondContact N-O 2.8Å; N240-G243 VanDerWaalsContact N-O 3.08Å; N240-G243 PolarHBondContact O-N 3.09Å; N240-F245 HydrophobicContact CB-CE1 4.23Å; N240-F245 WeakPolarHBondContact ND2-CD1 3.26Å; N240-F245 WeakPolarHBondContact ND2-CE1 3.27Å |
| 241 | R | 80.3 | Confident | 90.9 | Very high | 176 Ų | 176 | 51.8 Ų | 51.8 | 66% | 0.664 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -12.9 | 179.9 | 73.6 | 179.4 | -177.8 | -142.6 | -1.9 | 116.2 | Y30 | Y30-R241 PolarHBondContact OH-NH2 2.83Å; Y30-R241 VanDerWaalsContact OH-NH2 3.08Å |
| 242 | Y | 81.8 | Confident | 90.8 | Very high | 176 Ų | 176 | 54.1 Ų | 54.1 | 69% | 0.69 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 5 | 175.8 | -55.5 | -75.3 | 0 | 0 | 0 | 112.8 | N240 | N240-Y242 PolarHBondContact O-N 2.93Å; N240-Y242 WeakPolarHBondContact OD1-CA 3.21Å; N240-Y242 VanDerWaalsContact OD1-CB 3.27Å; N240-Y242 WeakPolarHBondContact OD1-CB 3.2Å; N240-Y242 PolarHBondContact OD1-N 3.11Å |
| 243 | G | 85.8 | Confident | 89.8 | Confident | 36 Ų | 36 | 57.8 Ų | 57.8 | 37% | 0.371 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.8 | -168.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N240 | N240-G243 PolarHBondContact N-O 2.8Å; N240-G243 VanDerWaalsContact N-O 3.08Å; N240-G243 PolarHBondContact O-N 3.09Å |
| 244 | V | 90.1 | Very high | 89 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 19% | 0.194 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 144.1 | 179.3 | 178.9 | 0 | 0 | 0 | 0 | 111 | P218 L220 V237 G238 L263 W266 | P218-V244 HydrophobicContact CG-CG2 4.19Å; L220-V244 HydrophobicContact CD2-CG1 4.35Å; L220-V244 HydrophobicContact CD2-CG2 4.19Å; V237-V244 HydrophobicContact CG1-CG1 3.75Å; G238-V244 CarbonylContact O-C 3.57Å; G238-V244 WeakPolarHBondContact O-CA 3.48Å; V244-L263 HydrophobicContact CB-CB 4.14Å; V244-L263 HydrophobicContact CB-CD2 4.07Å; V244-L263 HydrophobicContact CG1-CB 4.49Å; V244-L263 VanDerWaalsContact O-CB 3.31Å; V244-L263 WeakPolarHBondContact O-CB 3.37Å; V244-L263 PolarHBondContact O-N 3.15Å; V244-W266 HydrophobicContact CG1-CH2 3.91Å; V244-W266 HydrophobicContact CG1-CZ2 3.96Å |
| 245 | F | 93.4 | Very high | 88.7 | Confident | 25 Ų | 25 | 65 Ų | 65 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 155 | 179.5 | 66 | -90.9 | 0 | 0 | 0 | 112.1 | V54 V237 G238 N240 K247 T260 V261 | V54-F245 HydrophobicContact CG1-CE1 4.41Å; V54-F245 HydrophobicContact CG1-CZ 3.96Å; V237-F245 WeakPolarHBondContact CA-O 3.42Å; G238-F245 PolarHBondContact N-O 3.28Å; G238-F245 WeakPolarHBondContact O-CD1 3.4Å; G238-F245 PolarHBondContact O-N 3.04Å; N240-F245 HydrophobicContact CB-CE1 4.23Å; N240-F245 WeakPolarHBondContact ND2-CD1 3.26Å; N240-F245 WeakPolarHBondContact ND2-CE1 3.27Å; F245-K247 HydrophobicContact CD2-CB 4.49Å; F245-K247 HydrophobicContact CE2-CB 4.3Å; F245-T260 HydrophobicContact CB-CG2 3.91Å; F245-T260 HydrophobicContact CD2-CG2 3.52Å; F245-T260 HydrophobicContact CE2-CG2 4.21Å; F245-T260 HydrophobicContact CG-CG2 3.86Å; F245-V261 CarbonylContact C-O 3.35Å; F245-V261 WeakPolarHBondContact CA-O 3.03Å |
| 246 | L | 95.1 | Very high | 88.5 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 17% | 0.173 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.8 | 174.7 | 175.7 | 64.4 | 0 | 0 | 0 | 108.6 | F235 V237 I248 V261 W266 | F235-L246 HydrophobicContact CB-CD1 4.09Å; V237-L246 HydrophobicContact CG2-CD1 3.86Å; L246-I248 HydrophobicContact CD2-CD1 3.98Å; L246-I248 HydrophobicContact CD2-CG1 3.97Å; L246-I248 HydrophobicContact CG-CD1 4.42Å; L246-I248 HydrophobicContact CG-CG1 3.89Å; L246-V261 PolarHBondContact N-O 3.03Å; L246-V261 PolarHBondContact O-N 3Å; L246-W266 HydrophobicContact CB-CD2 4.39Å; L246-W266 HydrophobicContact CB-CZ2 3.62Å |
| 247 | K | 96 | Very high | 88.6 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 12% | 0.117 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 107.5 | 176.7 | -176.2 | -175 | -175 | 176.5 | 0 | 109.2 | D236 F245 T258 I259 | D236-K247 HydrophobicContact CB-CB 4.28Å; D236-K247 PolarHBondContact N-O 3.08Å; D236-K247 WeakPolarHBondContact O-CB 3.2Å; D236-K247 PolarHBondContact O-N 3.13Å; F245-K247 HydrophobicContact CD2-CB 4.49Å; F245-K247 HydrophobicContact CE2-CB 4.3Å; K247-T258 HydrophobicContact CD-CG2 4.26Å; K247-T258 HydrophobicContact CG-CG2 3.58Å; K247-I259 WeakPolarHBondContact CA-O 3.48Å |
| 248 | I | 95.7 | Very high | 88.7 | Confident | 24 Ų | 24 | 74.5 Ų | 74.5 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 118.1 | 177.9 | -52.5 | 178.1 | 0 | 0 | 0 | 108 | Y234 F235 L246 T258 I259 V261 F269 | Y234-I248 CarbonylContact O-C 3.55Å; Y234-I248 WeakPolarHBondContact O-CA 3.49Å; F235-I248 HydrophobicContact CD1-CD1 4.3Å; F235-I248 HydrophobicContact CD1-CG1 3.95Å; F235-I248 HydrophobicContact CD1-CG2 4.28Å; F235-I248 HydrophobicContact CE1-CD1 4.1Å; F235-I248 HydrophobicContact CE1-CG1 4.1Å; F235-I248 HydrophobicContact CE1-CG2 3.86Å; F235-I248 HydrophobicContact CZ-CG2 4.2Å; L246-I248 HydrophobicContact CD2-CD1 3.98Å; L246-I248 HydrophobicContact CD2-CG1 3.97Å; L246-I248 HydrophobicContact CG-CD1 4.42Å; L246-I248 HydrophobicContact CG-CG1 3.89Å; I248-T258 VanDerWaalsContact O-CA 3.31Å; I248-T258 WeakPolarHBondContact O-CA 3.28Å; I248-I259 HydrophobicContact CB-CD1 4.35Å; I248-I259 HydrophobicContact CB-CG1 3.85Å; I248-I259 HydrophobicContact CD1-CD1 4.35Å; I248-I259 PolarHBondContact N-O 3.22Å; I248-I259 PolarHBondContact O-N 2.85Å; I248-V261 HydrophobicContact CD1-CG2 4.4Å; I248-F269 HydrophobicContact CD1-CE1 4.09Å; I248-F269 HydrophobicContact CD1-CZ 4.27Å |
| 249 | S | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 116.1 | -177 | -50.2 | 0 | 0 | 0 | 0 | 111.8 | F233 Y234 R256 N257 T258 | F233-S249 WeakPolarHBondContact CA-O 3.29Å; Y234-S249 PolarHBondContact N-O 3.23Å; Y234-S249 PolarHBondContact O-N 2.71Å; S249-R256 PolarHBondContact OG-NH2 2.78Å; S249-N257 CarbonylContact C-O 3.55Å; S249-N257 WeakPolarHBondContact CA-O 3.47Å; S249-T258 WeakPolarHBondContact CB-OG1 3.35Å; S249-T258 PolarHBondContact OG-OG1 2.66Å |
| 250 | E | 94.8 | Very high | 89.6 | Confident | 49 Ų | 49 | 81.5 Ų | 81.5 | 23% | 0.229 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.8 | 165.8 | -178.8 | -168.4 | 164.2 | 0 | 0 | 109.2 | K231 F233 R256 N257 | K231-E250 HydrophobicContact CD-CG 4.3Å; K231-E250 VanDerWaalsContact CD-OE1 3.22Å; K231-E250 WeakPolarHBondContact CD-OE1 3.43Å; K231-E250 WeakPolarHBondContact CE-OE1 3.49Å; K231-E250 IonicContact NZ-OE1 3.78Å; K231-E250 PolarHBondContact NZ-OE1 2.94Å; K231-E250 IonicContact NZ-OE2 2.66Å; F233-E250 HydrophobicContact CD1-CB 4.09Å; F233-E250 HydrophobicContact CD1-CG 4.33Å; F233-E250 HydrophobicContact CE1-CB 3.82Å; F233-E250 HydrophobicContact CE1-CG 3.72Å; F233-E250 HydrophobicContact CZ-CG 4.15Å; E250-R256 CarbonylContact O-C 3.56Å; E250-R256 WeakPolarHBondContact O-CA 3.48Å; E250-N257 HydrophobicContact CB-CB 4.38Å; E250-N257 PolarHBondContact N-O 2.94Å; E250-N257 PolarHBondContact O-N 2.82Å; E250-N257 VanDerWaalsContact O-O 3.12Å |
| 251 | V | 92.4 | Very high | 90.4 | Very high | 33 Ų | 33 | 78.9 Ų | 78.9 | 20% | 0.2 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 118.6 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | K231 R232 Y234 R256 | K231-V251 WeakPolarHBondContact CA-O 3.46Å; R232-V251 PolarHBondContact N-O 3.48Å; R232-V251 PolarHBondContact O-N 3.46Å; Y234-V251 HydrophobicContact CD2-CG2 3.92Å; Y234-V251 HydrophobicContact CE2-CB 4.24Å; Y234-V251 HydrophobicContact CE2-CG2 3.74Å; V251-R256 HydrophobicContact CG2-CB 4.37Å; V251-R256 HydrophobicContact CG2-CG 4.02Å |
| 252 | R | 92.1 | Very high | 91.1 | Very high | 128 Ų | 128 | 73.4 Ų | 73.4 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 101.2 | 169 | 175.9 | -172.7 | 177.9 | -127.5 | 1.2 | 107.2 | K231 Y255 | K231-R252 HydrophobicContact CG-CB 4.37Å; R252-Y255 CarbonylContact C-O 3.57Å; R252-Y255 PolarHBondContact N-O 2.91Å; R252-Y255 CarbonylContact O-C 3.5Å; R252-Y255 WeakPolarHBondContact O-CA 3.37Å; R252-Y255 WeakPolarHBondContact O-CB 3.25Å; R252-Y255 PolarHBondContact O-N 2.8Å |
| 253 | Q | 73 | Confident | 91.6 | Very high | 173 Ų | 173 | 69.2 Ų | 69.2 | 81% | 0.808 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 136.4 | -173.4 | -70.2 | -175.5 | -8.9 | 0 | 0 | 112.2 | ||
| 254 | P | 79.3 | Confident | 92 | Very high | 114 Ų | 114 | 76.8 Ų | 76.8 | 74% | 0.74 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -80.8 | -4.7 | 1.5 | 34.4 | -38 | 0 | 0 | 0 | 115.1 | ||
| 255 | Y | 86.8 | Confident | 92.3 | Very high | 158 Ų | 158 | 76.8 Ų | 76.8 | 62% | 0.62 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 146.8 | -169.7 | -51.8 | -75.3 | 0 | 0 | 0 | 113.6 | R252 | R252-Y255 CarbonylContact C-O 3.57Å; R252-Y255 PolarHBondContact N-O 2.91Å; R252-Y255 CarbonylContact O-C 3.5Å; R252-Y255 WeakPolarHBondContact O-CA 3.37Å; R252-Y255 WeakPolarHBondContact O-CB 3.25Å; R252-Y255 PolarHBondContact O-N 2.8Å |
| 256 | R | 92 | Very high | 92.4 | Very high | 123 Ų | 123 | 79 Ų | 79 | 46% | 0.464 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 117.5 | 168.9 | 172.7 | 175.1 | -177.5 | 159.6 | 10.8 | 109.1 | S249 E250 V251 T258 | S249-R256 PolarHBondContact OG-NH2 2.78Å; E250-R256 CarbonylContact O-C 3.56Å; E250-R256 WeakPolarHBondContact O-CA 3.48Å; V251-R256 HydrophobicContact CG2-CB 4.37Å; V251-R256 HydrophobicContact CG2-CG 4.02Å; R256-T258 PolarHBondContact NE-OG1 2.79Å; R256-T258 VanDerWaalsContact NE-OG1 3.15Å |
| 257 | N | 93.3 | Very high | 92.3 | Very high | 101 Ų | 101 | 80.6 Ų | 80.6 | 54% | 0.54 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 145.6 | 167.9 | -62.6 | -24.9 | 0 | 0 | 0 | 108.2 | S249 E250 | S249-N257 CarbonylContact C-O 3.55Å; S249-N257 WeakPolarHBondContact CA-O 3.47Å; E250-N257 HydrophobicContact CB-CB 4.38Å; E250-N257 PolarHBondContact N-O 2.94Å; E250-N257 PolarHBondContact O-N 2.82Å; E250-N257 VanDerWaalsContact O-O 3.12Å |
| 258 | T | 93.6 | Very high | 92.3 | Very high | 59 Ų | 59 | 88 Ų | 88 | 36% | 0.362 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 132.8 | -178 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | K247 I248 S249 R256 | K247-T258 HydrophobicContact CD-CG2 4.26Å; K247-T258 HydrophobicContact CG-CG2 3.58Å; I248-T258 VanDerWaalsContact O-CA 3.31Å; I248-T258 WeakPolarHBondContact O-CA 3.28Å; S249-T258 WeakPolarHBondContact CB-OG1 3.35Å; S249-T258 PolarHBondContact OG-OG1 2.66Å; R256-T258 PolarHBondContact NE-OG1 2.79Å; R256-T258 VanDerWaalsContact NE-OG1 3.15Å |
| 259 | I | 95.9 | Very high | 92.4 | Very high | 88 Ų | 88 | 91.6 Ų | 91.6 | 45% | 0.451 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 157.8 | 170.3 | 62.8 | 171.7 | 0 | 0 | 0 | 110.1 | K247 I248 V261 F269 | K247-I259 WeakPolarHBondContact CA-O 3.48Å; I248-I259 HydrophobicContact CB-CD1 4.35Å; I248-I259 HydrophobicContact CB-CG1 3.85Å; I248-I259 HydrophobicContact CD1-CD1 4.35Å; I248-I259 PolarHBondContact N-O 3.22Å; I248-I259 PolarHBondContact O-N 2.85Å; I259-V261 HydrophobicContact CD1-CG2 4.05Å; I259-V261 HydrophobicContact CG1-CG2 4.38Å; I259-F269 HydrophobicContact CD1-CE2 4.28Å; I259-F269 HydrophobicContact CD1-CZ 4.22Å |
| 260 | T | 95.6 | Very high | 92.3 | Very high | 88 Ų | 88 | 93 Ų | 93 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 118 | 175.7 | -62.7 | 0 | 0 | 0 | 0 | 108.3 | F245 | F245-T260 HydrophobicContact CB-CG2 3.91Å; F245-T260 HydrophobicContact CD2-CG2 3.52Å; F245-T260 HydrophobicContact CE2-CG2 4.21Å; F245-T260 HydrophobicContact CG-CG2 3.86Å |
| 261 | V | 95.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 96.3 Ų | 96.3 | 9% | 0.085 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.8 | -177.7 | -169 | 0 | 0 | 0 | 0 | 108.6 | F245 L246 I248 I259 A265 W266 F269 | F245-V261 CarbonylContact C-O 3.35Å; F245-V261 WeakPolarHBondContact CA-O 3.03Å; L246-V261 PolarHBondContact N-O 3.03Å; L246-V261 PolarHBondContact O-N 3Å; I248-V261 HydrophobicContact CD1-CG2 4.4Å; I259-V261 HydrophobicContact CD1-CG2 4.05Å; I259-V261 HydrophobicContact CG1-CG2 4.38Å; V261-A265 HydrophobicContact CG1-CB 3.98Å; V261-W266 PolarHBondContact O-NE1 3.18Å; V261-F269 HydrophobicContact CG1-CD2 4.37Å; V261-F269 HydrophobicContact CG2-CD2 4.37Å; V261-F269 HydrophobicContact CG2-CE2 4.34Å |
| 262 | P | 95.3 | Very high | 92.6 | Very high | 60 Ų | 60 | 98.1 Ų | 98.1 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 148.8 | 179.1 | 30.2 | -35.3 | 0 | 0 | 0 | 110.9 | K264 A265 | P262-K264 HydrophobicContact CB-CG 4.28Å; P262-K264 HydrophobicContact CG-CG 4.27Å; P262-K264 PolarHBondContact O-N 3.16Å; P262-K264 VanDerWaalsContact O-N 3.09Å; P262-A265 HydrophobicContact CG-CB 4.23Å; P262-A265 WeakPolarHBondContact O-CB 3.45Å; P262-A265 PolarHBondContact O-N 2.9Å |
| 263 | L | 92.4 | Very high | 92.7 | Very high | 89 Ų | 89 | 98.7 Ų | 98.7 | 47% | 0.466 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -47.2 | -44.3 | -175.9 | 177 | 61.1 | 0 | 0 | 0 | 113.4 | V244 A265 W266 | V244-L263 HydrophobicContact CB-CB 4.14Å; V244-L263 HydrophobicContact CB-CD2 4.07Å; V244-L263 HydrophobicContact CG1-CB 4.49Å; V244-L263 VanDerWaalsContact O-CB 3.31Å; V244-L263 WeakPolarHBondContact O-CB 3.37Å; V244-L263 PolarHBondContact O-N 3.15Å; L263-A265 PolarHBondContact O-N 2.87Å; L263-W266 HydrophobicContact CB-CZ2 4.48Å; L263-W266 HydrophobicContact CD1-CD2 3.65Å; L263-W266 HydrophobicContact CD1-CE3 3.47Å; L263-W266 VanDerWaalsContact CD1-CE3 3.47Å; L263-W266 HydrophobicContact CD1-CG 4.3Å; L263-W266 HydrophobicContact CD1-CH2 3.91Å; L263-W266 HydrophobicContact CD1-CZ2 4.08Å; L263-W266 HydrophobicContact CD1-CZ3 3.62Å; L263-W266 WeakPolarHBondContact O-CB 3.22Å; L263-W266 PolarHBondContact O-N 3.23Å |
| 264 | K | 94.5 | Very high | 93.8 | Very high | 194 Ų | 194 | 94.9 Ų | 94.9 | 84% | 0.843 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -58.1 | -11.3 | 177.7 | 67.3 | 179 | 179.7 | -178.9 | 0 | 115.9 | P262 | P262-K264 HydrophobicContact CB-CG 4.28Å; P262-K264 HydrophobicContact CG-CG 4.27Å; P262-K264 PolarHBondContact O-N 3.16Å; P262-K264 VanDerWaalsContact O-N 3.09Å |
| 265 | A | 96.3 | Very high | 94.6 | Very high | 33 Ų | 33 | 96.2 Ų | 96.2 | 27% | 0.273 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -110.3 | -5.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V261 P262 L263 A267 R268 F269 | V261-A265 HydrophobicContact CG1-CB 3.98Å; P262-A265 HydrophobicContact CG-CB 4.23Å; P262-A265 WeakPolarHBondContact O-CB 3.45Å; P262-A265 PolarHBondContact O-N 2.9Å; L263-A265 PolarHBondContact O-N 2.87Å; A265-A267 PolarHBondContact O-N 3.41Å; A265-R268 PolarHBondContact O-N 2.82Å; A265-F269 WeakPolarHBondContact O-CB 3.38Å; A265-F269 PolarHBondContact O-N 3.49Å |
| 266 | W | 95.3 | Very high | 95.1 | Very high | 71 Ų | 71 | 95 Ų | 95 | 27% | 0.269 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | -174 | -68.6 | 8.3 | 0 | 0 | 0 | 112.8 | V237 V244 L246 V261 L263 R268 F269 G270 | V237-W266 HydrophobicContact CB-CH2 4.48Å; V237-W266 HydrophobicContact CG1-CH2 3.81Å; V237-W266 HydrophobicContact CG1-CZ2 4.3Å; V237-W266 HydrophobicContact CG2-CH2 3.76Å; V237-W266 HydrophobicContact CG2-CZ2 4.31Å; V244-W266 HydrophobicContact CG1-CH2 3.91Å; V244-W266 HydrophobicContact CG1-CZ2 3.96Å; L246-W266 HydrophobicContact CB-CD2 4.39Å; L246-W266 HydrophobicContact CB-CZ2 3.62Å; V261-W266 PolarHBondContact O-NE1 3.18Å; L263-W266 HydrophobicContact CB-CZ2 4.48Å; L263-W266 HydrophobicContact CD1-CD2 3.65Å; L263-W266 HydrophobicContact CD1-CE3 3.47Å; L263-W266 VanDerWaalsContact CD1-CE3 3.47Å; L263-W266 HydrophobicContact CD1-CG 4.3Å; L263-W266 HydrophobicContact CD1-CH2 3.91Å; L263-W266 HydrophobicContact CD1-CZ2 4.08Å; L263-W266 HydrophobicContact CD1-CZ3 3.62Å; L263-W266 WeakPolarHBondContact O-CB 3.22Å; L263-W266 PolarHBondContact O-N 3.23Å; W266-R268 PolarHBondContact O-N 2.88Å; W266-F269 WeakPolarHBondContact O-CB 3.12Å; W266-F269 PolarHBondContact O-N 2.79Å; W266-F269 VanDerWaalsContact O-N 3.12Å; W266-G270 PolarHBondContact O-N 3.44Å |
| 267 | A | 94.6 | Very high | 95.2 | Very high | 67 Ų | 67 | 93.5 Ų | 93.5 | 55% | 0.554 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -54.8 | -53.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A265 F269 G270 E271 | A265-A267 PolarHBondContact O-N 3.41Å; A267-F269 VanDerWaalsContact C-N 3.29Å; A267-F269 PolarHBondContact O-N 2.99Å; A267-G270 PolarHBondContact O-N 2.89Å; A267-G270 VanDerWaalsContact O-N 3.13Å; A267-E271 WeakPolarHBondContact O-CB 3.48Å; A267-E271 VanDerWaalsContact O-CG 3.26Å; A267-E271 WeakPolarHBondContact O-CG 3.42Å; A267-E271 PolarHBondContact O-N 2.87Å |
| 268 | R | 95.9 | Very high | 95.3 | Very high | 183 Ų | 183 | 93.4 Ų | 93.4 | 69% | 0.691 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.8 | -35.8 | 176.5 | -65.6 | -175.5 | -179.8 | -175.4 | -0.1 | 113.3 | A265 W266 E271 N272 | A265-R268 PolarHBondContact O-N 2.82Å; W266-R268 PolarHBondContact O-N 2.88Å; R268-E271 WeakPolarHBondContact CA-OE2 3.42Å; R268-N272 PolarHBondContact O-N 2.83Å; R268-N272 PolarHBondContact O-ND2 2.84Å |
| 269 | F | 96.4 | Very high | 95.3 | Very high | 99 Ų | 99 | 94.2 Ų | 94.2 | 43% | 0.434 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 176.9 | -161.6 | -81.1 | 0 | 0 | 0 | 111.1 | I248 I259 V261 A265 W266 A267 F273 | I248-F269 HydrophobicContact CD1-CE1 4.09Å; I248-F269 HydrophobicContact CD1-CZ 4.27Å; I259-F269 HydrophobicContact CD1-CE2 4.28Å; I259-F269 HydrophobicContact CD1-CZ 4.22Å; V261-F269 HydrophobicContact CG1-CD2 4.37Å; V261-F269 HydrophobicContact CG2-CD2 4.37Å; V261-F269 HydrophobicContact CG2-CE2 4.34Å; A265-F269 WeakPolarHBondContact O-CB 3.38Å; A265-F269 PolarHBondContact O-N 3.49Å; W266-F269 WeakPolarHBondContact O-CB 3.12Å; W266-F269 PolarHBondContact O-N 2.79Å; W266-F269 VanDerWaalsContact O-N 3.12Å; A267-F269 VanDerWaalsContact C-N 3.29Å; A267-F269 PolarHBondContact O-N 2.99Å; F269-F273 WeakPolarHBondContact O-CB 3.37Å; F269-F273 PolarHBondContact O-N 3.22Å; F269-F273 VanDerWaalsContact O-N 3.11Å |
| 270 | G | 94.1 | Very high | 95.2 | Very high | 30 Ų | 30 | 94.5 Ų | 94.5 | 31% | 0.309 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W266 A267 N272 F273 I274 | W266-G270 PolarHBondContact O-N 3.44Å; A267-G270 PolarHBondContact O-N 2.89Å; A267-G270 VanDerWaalsContact O-N 3.13Å; G270-N272 PolarHBondContact O-N 3.2Å; G270-F273 WeakPolarHBondContact O-CB 3.48Å; G270-F273 PolarHBondContact O-N 3.11Å; G270-F273 VanDerWaalsContact O-N 3.08Å; G270-I274 WeakPolarHBondContact O-CG1 3.16Å; G270-I274 PolarHBondContact O-N 2.66Å |
| 271 | E | 95.8 | Very high | 95.1 | Very high | 118 Ų | 118 | 97.6 Ų | 97.6 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -54.2 | -48.3 | 176.3 | -73.9 | 159.7 | -164.8 | 0 | 0 | 112 | A267 R268 F273 R275 | A267-E271 WeakPolarHBondContact O-CB 3.48Å; A267-E271 VanDerWaalsContact O-CG 3.26Å; A267-E271 WeakPolarHBondContact O-CG 3.42Å; A267-E271 PolarHBondContact O-N 2.87Å; R268-E271 WeakPolarHBondContact CA-OE2 3.42Å; E271-F273 VanDerWaalsContact C-N 3.35Å; E271-R275 WeakPolarHBondContact O-CB 3.28Å; E271-R275 PolarHBondContact O-N 3.2Å |
| 272 | N | 97 | Very high | 94.9 | Very high | 70 Ų | 70 | 104.4 Ų | 104.4 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 176.8 | -79.3 | -80.2 | 0 | 0 | 0 | 111.7 | R268 G270 R275 Y276 | R268-N272 PolarHBondContact O-N 2.83Å; R268-N272 PolarHBondContact O-ND2 2.84Å; G270-N272 PolarHBondContact O-N 3.2Å; N272-R275 PolarHBondContact O-N 3.3Å; N272-Y276 HydrophobicContact CB-CD2 4.43Å; N272-Y276 HydrophobicContact CB-CE2 4.26Å; N272-Y276 WeakPolarHBondContact O-CB 3.31Å; N272-Y276 WeakPolarHBondContact O-CD2 3.46Å; N272-Y276 PolarHBondContact O-N 2.89Å |
| 273 | F | 95.6 | Very high | 94.7 | Very high | 141 Ų | 141 | 105 Ų | 105 | 62% | 0.618 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.6 | -47.6 | 178.5 | -165.1 | -88.9 | 0 | 0 | 0 | 112.1 | F269 G270 E271 Y276 E277 | F269-F273 WeakPolarHBondContact O-CB 3.37Å; F269-F273 PolarHBondContact O-N 3.22Å; F269-F273 VanDerWaalsContact O-N 3.11Å; G270-F273 WeakPolarHBondContact O-CB 3.48Å; G270-F273 PolarHBondContact O-N 3.11Å; G270-F273 VanDerWaalsContact O-N 3.08Å; E271-F273 VanDerWaalsContact C-N 3.35Å; F273-Y276 PolarHBondContact O-N 3.02Å; F273-E277 WeakPolarHBondContact O-CB 3.29Å; F273-E277 PolarHBondContact O-N 2.88Å |
| 274 | I | 95.9 | Very high | 94.3 | Very high | 92 Ų | 92 | 107.3 Ų | 107.3 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 176.8 | -66 | 164.9 | 0 | 0 | 0 | 110.3 | G270 Y276 E277 E278 | G270-I274 WeakPolarHBondContact O-CG1 3.16Å; G270-I274 PolarHBondContact O-N 2.66Å; I274-Y276 VanDerWaalsContact C-N 3.35Å; I274-Y276 PolarHBondContact O-N 3.46Å; I274-E277 WeakPolarHBondContact O-CB 3.37Å; I274-E277 PolarHBondContact O-N 2.83Å; I274-E277 VanDerWaalsContact O-N 3.13Å; I274-E278 WeakPolarHBondContact O-CG 3.29Å; I274-E278 PolarHBondContact O-N 2.89Å |
| 275 | R | 96.1 | Very high | 93.7 | Very high | 143 Ų | 143 | 101 Ų | 101 | 54% | 0.54 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -55 | -48.8 | 177.3 | 176 | -173.2 | 162.1 | 174.1 | -0.3 | 111.8 | E271 N272 E277 E278 E279 | E271-R275 WeakPolarHBondContact O-CB 3.28Å; E271-R275 PolarHBondContact O-N 3.2Å; N272-R275 PolarHBondContact O-N 3.3Å; R275-E277 VanDerWaalsContact C-N 3.33Å; R275-E278 PolarHBondContact O-N 3.2Å; R275-E279 IonicContact NE-OE2 2.96Å; R275-E279 WeakPolarHBondContact O-CB 3.2Å; R275-E279 PolarHBondContact O-N 3.08Å |
| 276 | Y | 96.4 | Very high | 92.5 | Very high | 131 Ų | 131 | 102.1 Ų | 102.1 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.1 | -31.4 | 179.8 | -71.8 | -51.1 | 0 | 0 | 0 | 112.5 | N272 F273 I274 E279 M280 | N272-Y276 HydrophobicContact CB-CD2 4.43Å; N272-Y276 HydrophobicContact CB-CE2 4.26Å; N272-Y276 WeakPolarHBondContact O-CB 3.31Å; N272-Y276 WeakPolarHBondContact O-CD2 3.46Å; N272-Y276 PolarHBondContact O-N 2.89Å; F273-Y276 PolarHBondContact O-N 3.02Å; I274-Y276 VanDerWaalsContact C-N 3.35Å; I274-Y276 PolarHBondContact O-N 3.46Å; Y276-E279 PolarHBondContact O-N 3.08Å; Y276-M280 WeakPolarHBondContact O-CB 3.38Å; Y276-M280 WeakPolarHBondContact O-CG 3.34Å; Y276-M280 PolarHBondContact O-N 2.87Å |
| 277 | E | 94.8 | Very high | 91.1 | Very high | 92 Ų | 92 | 104.4 Ų | 104.4 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 172.4 | -161.7 | -154.7 | 144.7 | 0 | 0 | 111.3 | F273 I274 R275 E279 M280 R281 | F273-E277 WeakPolarHBondContact O-CB 3.29Å; F273-E277 PolarHBondContact O-N 2.88Å; I274-E277 WeakPolarHBondContact O-CB 3.37Å; I274-E277 PolarHBondContact O-N 2.83Å; I274-E277 VanDerWaalsContact O-N 3.13Å; R275-E277 VanDerWaalsContact C-N 3.33Å; E277-E279 PolarHBondContact O-N 3.4Å; E277-M280 PolarHBondContact O-N 2.96Å; E277-R281 VanDerWaalsContact O-CB 3.26Å; E277-R281 WeakPolarHBondContact O-CB 3.35Å; E277-R281 PolarHBondContact O-N 3.4Å; E277-R281 IonicContact OE1-CZ 3.38Å; E277-R281 IonicContact OE1-NE 3.85Å; E277-R281 IonicContact OE1-NH2 2.97Å; E277-R281 PolarHBondContact OE1-NH2 3.08Å |
| 278 | E | 94.2 | Very high | 89.5 | Confident | 100 Ų | 100 | 108.8 Ų | 108.8 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 177 | -69 | 177.8 | 176.2 | 0 | 0 | 113.2 | I274 R275 R282 | I274-E278 WeakPolarHBondContact O-CG 3.29Å; I274-E278 PolarHBondContact O-N 2.89Å; R275-E278 PolarHBondContact O-N 3.2Å; E278-R282 WeakPolarHBondContact O-CG 3.3Å; E278-R282 PolarHBondContact O-N 3.5Å; E278-R282 VanDerWaalsContact O-N 3.07Å; E278-R282 PolarHBondContact O-NE 3.46Å; E278-R282 VanDerWaalsContact O-NE 3.13Å |
| 279 | E | 94.8 | Very high | 87.8 | Confident | 76 Ų | 76 | 105.7 Ų | 105.7 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.2 | -47.8 | 177.3 | -168.1 | 168.2 | 168.3 | 0 | 0 | 110.6 | R275 Y276 E277 R281 R282 I283 | R275-E279 IonicContact NE-OE2 2.96Å; R275-E279 WeakPolarHBondContact O-CB 3.2Å; R275-E279 PolarHBondContact O-N 3.08Å; Y276-E279 PolarHBondContact O-N 3.08Å; E277-E279 PolarHBondContact O-N 3.4Å; E279-R281 PolarHBondContact O-N 2.85Å; E279-R282 PolarHBondContact O-N 3.44Å; E279-I283 HydrophobicContact CG-CD1 4.45Å; E279-I283 WeakPolarHBondContact O-CG1 3.22Å; E279-I283 PolarHBondContact O-N 2.81Å |
| 280 | M | 93 | Very high | 85.9 | Confident | 93 Ų | 93 | 107.1 Ų | 107.1 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 174.4 | -69.5 | -66.4 | -68.4 | 0 | 0 | 112.1 | Y276 E277 R282 I283 F284 | Y276-M280 WeakPolarHBondContact O-CB 3.38Å; Y276-M280 WeakPolarHBondContact O-CG 3.34Å; Y276-M280 PolarHBondContact O-N 2.87Å; E277-M280 PolarHBondContact O-N 2.96Å; M280-R282 VanDerWaalsContact C-N 3.34Å; M280-R282 PolarHBondContact O-N 3.34Å; M280-I283 PolarHBondContact O-N 3.1Å; M280-I283 HydrophobicContact SD-CD1 4.26Å; M280-F284 HydrophobicContact CB-CD2 4.45Å; M280-F284 HydrophobicContact CB-CE2 4.28Å; M280-F284 HydrophobicContact CE-CE2 3.68Å; M280-F284 HydrophobicContact CE-CZ 3.85Å; M280-F284 WeakPolarHBondContact O-CD2 2.97Å; M280-F284 PolarHBondContact O-N 3.44Å |
| 281 | R | 93 | Very high | 84.1 | Confident | 153 Ų | 153 | 115.4 Ų | 115.4 | 58% | 0.577 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.4 | -43.9 | 176 | -166.4 | -174.6 | -64.9 | -176.1 | 0.8 | 111.3 | E277 E279 F284 S285 | E277-R281 VanDerWaalsContact O-CB 3.26Å; E277-R281 WeakPolarHBondContact O-CB 3.35Å; E277-R281 PolarHBondContact O-N 3.4Å; E277-R281 IonicContact OE1-CZ 3.38Å; E277-R281 IonicContact OE1-NE 3.85Å; E277-R281 IonicContact OE1-NH2 2.97Å; E277-R281 PolarHBondContact OE1-NH2 3.08Å; E279-R281 PolarHBondContact O-N 2.85Å; R281-F284 PolarHBondContact O-N 2.87Å; R281-S285 PolarHBondContact O-N 2.88Å; R281-S285 PolarHBondContact O-OG 3.19Å |
| 282 | R | 91.1 | Very high | 82.2 | Confident | 157 Ų | 157 | 114.4 Ų | 114.4 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 174 | -79.1 | 177.1 | -81.1 | -178.5 | -10.8 | 112.4 | E278 E279 M280 F284 S285 C286 | E278-R282 WeakPolarHBondContact O-CG 3.3Å; E278-R282 PolarHBondContact O-N 3.5Å; E278-R282 VanDerWaalsContact O-N 3.07Å; E278-R282 PolarHBondContact O-NE 3.46Å; E278-R282 VanDerWaalsContact O-NE 3.13Å; E279-R282 PolarHBondContact O-N 3.44Å; M280-R282 VanDerWaalsContact C-N 3.34Å; M280-R282 PolarHBondContact O-N 3.34Å; R282-F284 PolarHBondContact O-N 2.84Å; R282-S285 PolarHBondContact O-N 3.35Å; R282-C286 PolarHBondContact O-N 2.95Å; R282-C286 VanDerWaalsContact O-N 3.07Å |
| 283 | I | 91.4 | Very high | 80 | Confident | 74 Ų | 74 | 118.4 Ų | 118.4 | 38% | 0.379 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 177 | -68 | 165.4 | 0 | 0 | 0 | 110.6 | E279 M280 C286 H287 | E279-I283 HydrophobicContact CG-CD1 4.45Å; E279-I283 WeakPolarHBondContact O-CG1 3.22Å; E279-I283 PolarHBondContact O-N 2.81Å; M280-I283 PolarHBondContact O-N 3.1Å; M280-I283 HydrophobicContact SD-CD1 4.26Å; I283-C286 PolarHBondContact O-N 3.35Å; I283-H287 PolarHBondContact O-N 2.97Å; I283-H287 VanDerWaalsContact O-N 3.11Å; I283-H287 PolarHBondContact O-ND1 3.12Å |
| 284 | F | 84.3 | Confident | 77.9 | Confident | 137 Ų | 137 | 118.7 Ų | 118.7 | 60% | 0.601 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.4 | -38 | -179.9 | -73.3 | -59.4 | 0 | 0 | 0 | 113.4 | M280 R281 R282 H287 K288 | M280-F284 HydrophobicContact CB-CD2 4.45Å; M280-F284 HydrophobicContact CB-CE2 4.28Å; M280-F284 HydrophobicContact CE-CE2 3.68Å; M280-F284 HydrophobicContact CE-CZ 3.85Å; M280-F284 WeakPolarHBondContact O-CD2 2.97Å; M280-F284 PolarHBondContact O-N 3.44Å; R281-F284 PolarHBondContact O-N 2.87Å; R282-F284 PolarHBondContact O-N 2.84Å; F284-H287 PolarHBondContact O-N 3.27Å; F284-K288 PolarHBondContact O-N 3.45Å |
| 285 | S | 82.1 | Confident | 75.5 | Confident | 61 Ų | 61 | 128 Ų | 128 | 43% | 0.427 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.9 | -47.9 | 174.7 | -64.8 | 0 | 0 | 0 | 0 | 112 | R281 R282 H287 K288 E289 | R281-S285 PolarHBondContact O-N 2.88Å; R281-S285 PolarHBondContact O-OG 3.19Å; R282-S285 PolarHBondContact O-N 3.35Å; S285-H287 VanDerWaalsContact C-N 3.29Å; S285-H287 PolarHBondContact O-N 3.25Å; S285-K288 WeakPolarHBondContact O-CA 3.4Å; S285-K288 VanDerWaalsContact O-CB 3.31Å; S285-K288 WeakPolarHBondContact O-CB 3.49Å; S285-K288 PolarHBondContact O-N 2.72Å; S285-E289 PolarHBondContact O-N 2.96Å; S285-E289 VanDerWaalsContact O-N 3.08Å |
| 286 | C | 71.1 | Confident | 74.5 | Confident | 56 Ų | 56 | 127.3 Ų | 127.3 | 38% | 0.378 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.4 | -34.5 | 179 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | R282 I283 K288 K290 | R282-C286 PolarHBondContact O-N 2.95Å; R282-C286 VanDerWaalsContact O-N 3.07Å; I283-C286 PolarHBondContact O-N 3.35Å; C286-K288 VanDerWaalsContact C-N 3.29Å; C286-K288 PolarHBondContact O-N 3.47Å; C286-K290 PolarHBondContact O-N 3.07Å |
| 287 | H | 65.3 | Low | 73.3 | Confident | 120 Ų | 120 | 127.1 Ų | 127.1 | 56% | 0.556 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.7 | -22.8 | 173.3 | -78 | 78.2 | 0 | 0 | 0 | 113.6 | I283 F284 S285 R291 | I283-H287 PolarHBondContact O-N 2.97Å; I283-H287 VanDerWaalsContact O-N 3.11Å; I283-H287 PolarHBondContact O-ND1 3.12Å; F284-H287 PolarHBondContact O-N 3.27Å; S285-H287 VanDerWaalsContact C-N 3.29Å; S285-H287 PolarHBondContact O-N 3.25Å; H287-R291 WeakPolarHBondContact O-CG 3.42Å |
| 288 | K | 61.8 | Low | 72.1 | Confident | 158 Ų | 158 | 129.1 Ų | 129.1 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78.2 | -43.6 | 176.1 | -168.1 | -176.3 | 177.5 | -170.9 | 0 | 110.9 | F284 S285 C286 R291 T292 | F284-K288 PolarHBondContact O-N 3.45Å; S285-K288 WeakPolarHBondContact O-CA 3.4Å; S285-K288 VanDerWaalsContact O-CB 3.31Å; S285-K288 WeakPolarHBondContact O-CB 3.49Å; S285-K288 PolarHBondContact O-N 2.72Å; C286-K288 VanDerWaalsContact C-N 3.29Å; C286-K288 PolarHBondContact O-N 3.47Å; K288-R291 PolarHBondContact O-N 3.14Å; K288-T292 PolarHBondContact O-N 3.08Å; K288-T292 PolarHBondContact O-OG1 3.11Å |
| 289 | E | 58.9 | Low | 70.8 | Confident | 118 Ų | 118 | 130.8 Ų | 130.8 | 55% | 0.551 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.9 | -48 | 179.2 | -71.6 | 162.1 | 169.9 | 0 | 0 | 111.7 | S285 R291 T292 E293 | S285-E289 PolarHBondContact O-N 2.96Å; S285-E289 VanDerWaalsContact O-N 3.08Å; E289-R291 VanDerWaalsContact C-N 3.27Å; E289-R291 PolarHBondContact O-N 3.41Å; E289-T292 WeakPolarHBondContact CA-OG1 3.44Å; E289-T292 PolarHBondContact O-N 3.11Å; E289-T292 PolarHBondContact O-OG1 3.41Å; E289-E293 PolarHBondContact O-N 3.41Å |
| 290 | K | 58.1 | Low | 69.3 | Low | 130 Ų | 130 | 134.2 Ų | 134.2 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58.4 | -35 | 176.6 | -72.9 | -176.4 | 173.7 | -174.8 | 0 | 114 | C286 T292 E293 D294 | C286-K290 PolarHBondContact O-N 3.07Å; K290-T292 PolarHBondContact O-N 3.29Å; K290-E293 PolarHBondContact O-N 3.01Å; K290-D294 PolarHBondContact O-N 3.25Å |
| 291 | R | 55.3 | Low | 67.7 | Low | 203 Ų | 203 | 136.9 Ų | 136.9 | 77% | 0.766 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.5 | -12.5 | 176.4 | -74.3 | -172.6 | -176 | -168.2 | 2.8 | 114.2 | H287 K288 E289 | H287-R291 WeakPolarHBondContact O-CG 3.42Å; K288-R291 PolarHBondContact O-N 3.14Å; E289-R291 VanDerWaalsContact C-N 3.27Å; E289-R291 PolarHBondContact O-N 3.41Å |
| 292 | T | 56.2 | Low | 65.9 | Low | 98 Ų | 98 | 135.8 Ų | 135.8 | 60% | 0.601 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -98.6 | -14.2 | 174.3 | 42.2 | 0 | 0 | 0 | 0 | 113.3 | K288 E289 K290 | K288-T292 PolarHBondContact O-N 3.08Å; K288-T292 PolarHBondContact O-OG1 3.11Å; E289-T292 WeakPolarHBondContact CA-OG1 3.44Å; E289-T292 PolarHBondContact O-N 3.11Å; E289-T292 PolarHBondContact O-OG1 3.41Å; K290-T292 PolarHBondContact O-N 3.29Å |
| 293 | E | 51.5 | Low | 64 | Low | 153 Ų | 153 | 134.2 Ų | 134.2 | 72% | 0.715 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -87.7 | -30.7 | 172.6 | -67.4 | 177.6 | 143 | 0 | 0 | 112.4 | E289 K290 R295 | E289-E293 PolarHBondContact O-N 3.41Å; K290-E293 PolarHBondContact O-N 3.01Å; E293-R295 PolarHBondContact O-N 2.81Å; E293-R295 VanDerWaalsContact O-N 3.11Å |
| 294 | D | 51.5 | Low | 61.7 | Low | 148 Ų | 148 | 139.2 Ų | 139.2 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | trans | -79.9 | 31.4 | 174.6 | -72.3 | -30.9 | 0 | 0 | 0 | 113.4 | K290 | K290-D294 PolarHBondContact O-N 3.25Š| ||
| 295 | R | 44.7 | Very low | 59.7 | Low | 288 Ų | 288 | 139.4 Ų | 139.4 | 100% | 1.087 | 65% | 0.648 | S | S | * | * | trans | -143.5 | 0 | -174.1 | -116.3 | -170.8 | 176.8 | -160 | -2.6 | 114.8 | E293 | E293-R295 PolarHBondContact O-N 2.81Å; E293-R295 VanDerWaalsContact O-N 3.11Å |
Retrieved 295 of 295 residues in 108.1 ms
(Link to these results)