| 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 | 39 | Very low | 35.4 | Very low | 236 Ų | 236 | 156.7 Ų | 156.7 | 100% | 1.163 | 84% | 0.835 | S | S | * | * | 0 | 95.4 | 0 | -76.7 | 170.8 | 89.4 | 0 | 0 | 107.8 | I3 | M1-I3 PolarHBondContact O-N 2.7Š| |||
| 2 | T | 32.7 | Very low | 35.5 | Very low | 139 Ų | 139 | 161.2 Ų | 161.2 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -85.8 | 107.7 | -177 | -3.3 | 0 | 0 | 0 | 0 | 108.1 | H4 | T2-H4 PolarHBondContact O-N 3.47Š| ||
| 3 | I | 33.8 | Very low | 35.4 | Very low | 146 Ų | 146 | 160.5 Ų | 160.5 | 75% | 0.749 | 83% | 0.831 | S | S | * | * | trans | -80.9 | 107.6 | -177.4 | -64.4 | 169.7 | 0 | 0 | 0 | 108 | M1 L5 | M1-I3 PolarHBondContact O-N 2.7Å; I3-L5 HydrophobicContact CG2-CD1 4.38Å; I3-L5 PolarHBondContact O-N 2.83Å | ||
| 4 | H | 34.2 | Very low | 35.3 | Very low | 176 Ų | 176 | 162.1 Ų | 162.1 | 82% | 0.815 | 83% | 0.83 | S | S | * | * | trans | -74.3 | 104.2 | 170.5 | -83.1 | -69.5 | 0 | 0 | 0 | 109.7 | T2 T6 | T2-H4 PolarHBondContact O-N 3.47Å; H4-T6 PolarHBondContact O-N 3.42Å | ||
| 5 | L | 35.8 | Very low | 35.2 | Very low | 159 Ų | 159 | 161.1 Ų | 161.1 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -73.9 | 106 | 166.9 | -89.6 | 102.8 | 0 | 0 | 0 | 109.6 | I3 L7 | I3-L5 HydrophobicContact CG2-CD1 4.38Å; I3-L5 PolarHBondContact O-N 2.83Å; L5-L7 PolarHBondContact O-N 3.3Å | ||
| 6 | T | 36.4 | Very low | 35 | Very low | 125 Ų | 125 | 157.6 Ų | 157.6 | 77% | 0.767 | 82% | 0.82 | S | S | * | * | trans | -74.4 | 114.2 | 170.3 | 47 | 0 | 0 | 0 | 0 | 110.3 | H4 L8 | H4-T6 PolarHBondContact O-N 3.42Å; T6-L8 PolarHBondContact O-N 3.44Å | ||
| 7 | L | 34.1 | Very low | 34.8 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -70.6 | 109.5 | 171.8 | -75.2 | 154.8 | 0 | 0 | 0 | 109.8 | L5 | L5-L7 PolarHBondContact O-N 3.3Š| ||
| 8 | L | 32.4 | Very low | 34.8 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 133.6 | 168.4 | -81.9 | 161.3 | 0 | 0 | 0 | 109.7 | T6 F10 | T6-L8 PolarHBondContact O-N 3.44Å; L8-F10 PolarHBondContact O-N 3.41Å |
| 9 | P | 37.3 | Very low | 34.6 | Very low | 117 Ų | 117 | 152.9 Ų | 152.9 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 119.1 | -173.7 | 31.8 | -30.6 | 0 | 0 | 0 | 110.4 | P11 | P9-P11 WeakPolarHBondContact O-CD 3.09Š|
| 10 | F | 34.4 | Very low | 34.7 | Very low | 192 Ų | 192 | 156.8 Ų | 156.8 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 118.5 | 170.1 | -89.4 | -95.5 | 0 | 0 | 0 | 109.6 | L8 Y12 | L8-F10 PolarHBondContact O-N 3.41Å; F10-Y12 PolarHBondContact O-N 2.89Å |
| 11 | P | 39.1 | Very low | 34.8 | Very low | 108 Ų | 108 | 154.3 Ų | 154.3 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 122.4 | 173.9 | 30.2 | -28.9 | 0 | 0 | 0 | 108.4 | P9 L13 | P9-P11 WeakPolarHBondContact O-CD 3.09Å; P11-L13 VanDerWaalsContact C-N 3.3Å; P11-L13 PolarHBondContact O-N 3.04Å |
| 12 | Y | 37.1 | Very low | 35.2 | Very low | 210 Ų | 210 | 148.5 Ų | 148.5 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -63.4 | 88.2 | 172.8 | -75.4 | -93 | 0 | 0 | 0 | 110 | F10 F14 | F10-Y12 PolarHBondContact O-N 2.89Å; Y12-F14 VanDerWaalsContact C-N 3.27Å; Y12-F14 PolarHBondContact O-N 3.4Å | ||
| 13 | L | 34.8 | Very low | 36.1 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | -67.6 | 91.9 | 158.3 | -89.3 | 154.2 | 0 | 0 | 0 | 107.2 | P11 L15 | P11-L13 VanDerWaalsContact C-N 3.3Å; P11-L13 PolarHBondContact O-N 3.04Å; L13-L15 PolarHBondContact O-N 3.45Å | ||
| 14 | F | 33.8 | Very low | 37.1 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | trans | -63.2 | 80.4 | 161.6 | -92.6 | -91.8 | 0 | 0 | 0 | 107.9 | Y12 S16 | Y12-F14 VanDerWaalsContact C-N 3.27Å; Y12-F14 PolarHBondContact O-N 3.4Å; F14-S16 PolarHBondContact O-N 2.87Å | ||
| 15 | L | 33.9 | Very low | 38.5 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | trans | -66 | 97.8 | 158.1 | -128.5 | 86.6 | 0 | 0 | 0 | 105 | L13 A17 | L13-L15 PolarHBondContact O-N 3.45Å; L15-A17 PolarHBondContact O-N 3.38Å | ||
| 16 | S | 31.5 | Very low | 39.7 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | trans | -63.9 | 76.7 | 162.5 | 49.8 | 0 | 0 | 0 | 0 | 107.3 | F14 L18 | F14-S16 PolarHBondContact O-N 2.87Å; S16-L18 PolarHBondContact O-N 2.99Å | ||
| 17 | A | 32.1 | Very low | 41.2 | Very low | 75 Ų | 75 | 122 Ų | 122 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | trans | -59.7 | 97.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 104.7 | L15 L19 | L15-A17 PolarHBondContact O-N 3.38Å; A17-L19 PolarHBondContact O-N 3.48Å | ||
| 18 | L | 34.7 | Very low | 43 | Very low | 155 Ų | 155 | 114.1 Ų | 114.1 | 81% | 0.812 | 60% | 0.601 | S | S | * | * | trans | -57.8 | 84.6 | 165.7 | -77.9 | 156.8 | 0 | 0 | 0 | 106 | S16 R20 | S16-L18 PolarHBondContact O-N 2.99Å; L18-R20 PolarHBondContact O-N 3.48Å | ||
| 19 | L | 31.2 | Very low | 45.4 | Very low | 155 Ų | 155 | 107.8 Ų | 107.8 | 81% | 0.812 | 57% | 0.567 | S | S | * | * | trans | -57.8 | 93.5 | 164.8 | -84 | 154.9 | 0 | 0 | 0 | 104.6 | A17 I21 | A17-L19 PolarHBondContact O-N 3.48Å; L19-I21 PolarHBondContact O-N 3.41Å | ||
| 20 | R | 36.9 | Very low | 47.9 | Very low | 230 Ų | 230 | 104.4 Ų | 104.4 | 87% | 0.868 | 54% | 0.539 | S | S | * | . | trans | -59.7 | 95.1 | 169.4 | -72.1 | -177.8 | 177.3 | 178.1 | -0.9 | 105.3 | L18 P22 | L18-R20 PolarHBondContact O-N 3.48Å; R20-P22 WeakPolarHBondContact O-CD 3.46Å; R20-P22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | I | 36.1 | Very low | 50.5 | Low | 105 Ų | 105 | 96.4 Ų | 96.4 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 118.6 | 170.9 | -61.8 | 173.7 | 0 | 0 | 0 | 104.8 | L19 V23 | L19-I21 PolarHBondContact O-N 3.41Å; I21-V23 PolarHBondContact O-N 3.15Å; I21-V23 VanDerWaalsContact O-N 3.15Å |
| 22 | P | 47.2 | Very low | 53 | Low | 113 Ų | 113 | 94.3 Ų | 94.3 | 73% | 0.734 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 125.5 | -177.4 | 21.1 | -29.8 | 0 | 0 | 0 | 108.1 | R20 S24 | R20-P22 WeakPolarHBondContact O-CD 3.46Å; R20-P22 VanDerWaalsContact O-N 3.1Å; P22-S24 PolarHBondContact O-N 2.89Å |
| 23 | V | 52.3 | Low | 55.5 | Low | 41 Ų | 41 | 84.8 Ų | 84.8 | 25% | 0.248 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -55 | 129.1 | 169.8 | 179.7 | 0 | 0 | 0 | 0 | 106.4 | I21 D25 N515 A516 | I21-V23 PolarHBondContact O-N 3.15Å; I21-V23 VanDerWaalsContact O-N 3.15Å; V23-D25 PolarHBondContact O-N 3.4Å; V23-D25 VanDerWaalsContact O-N 3.14Å; V23-N515 WeakPolarHBondContact CG1-O 3.5Å; V23-N515 HydrophobicContact CG2-CB 4.48Å; V23-A516 WeakPolarHBondContact CG1-O 3.32Å |
| 24 | S | 53.9 | Low | 58.3 | Low | 31 Ų | 31 | 79.5 Ų | 79.5 | 22% | 0.217 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 125.5 | 178.2 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | P22 A26 N536 | P22-S24 PolarHBondContact O-N 2.89Å; S24-A26 PolarHBondContact O-N 3.32Å; S24-N536 WeakPolarHBondContact O-CB 3.35Å; S24-N536 PolarHBondContact O-ND2 3.34Å; S24-N536 VanDerWaalsContact O-ND2 3.08Å |
| 25 | D | 63.4 | Low | 61.2 | Low | 90 Ų | 90 | 70.8 Ų | 70.8 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 121.5 | 176.5 | -84.5 | -19.4 | 0 | 0 | 0 | 109.5 | V23 K31 | V23-D25 PolarHBondContact O-N 3.4Å; V23-D25 VanDerWaalsContact O-N 3.14Å; D25-K31 WeakPolarHBondContact OD1-CD 3.34Å; D25-K31 WeakPolarHBondContact OD1-CE 3.46Å; D25-K31 IonicContact OD1-NZ 3.45Å; D25-K31 PolarHBondContact OD1-NZ 3.29Å; D25-K31 IonicContact OD2-NZ 3.83Å; D25-K31 PolarHBondContact OD2-NZ 2.85Å; D25-K31 VanDerWaalsContact OD2-NZ 3.1Å |
| 26 | A | 61.8 | Low | 64 | Low | 18 Ų | 18 | 63.8 Ų | 63.8 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | trans | -121.2 | 142.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | S24 P28 V480 N536 | S24-A26 PolarHBondContact O-N 3.32Å; A26-P28 CarbonylContact O-C 3.51Å; A26-V480 HydrophobicContact CB-CG2 4.08Å; A26-N536 HydrophobicContact CB-CB 3.79Å | ||
| 27 | V | 66.3 | Low | 67.1 | Low | 10 Ų | 10 | 58.9 Ų | 58.9 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 142.1 | 154.2 | 175.3 | 0 | 0 | 0 | 0 | 106.8 | N539 L543 F546 | V27-N539 PolarHBondContact O-ND2 3.48Å; V27-L543 HydrophobicContact CB-CD1 4.44Å; V27-L543 HydrophobicContact CG1-CD1 4.17Å; V27-F546 HydrophobicContact CB-CD2 4.15Å; V27-F546 HydrophobicContact CB-CE2 3.7Å; V27-F546 HydrophobicContact CG1-CD2 4.12Å; V27-F546 HydrophobicContact CG1-CE2 3.95Å; V27-F546 HydrophobicContact CG2-CD2 4.42Å; V27-F546 HydrophobicContact CG2-CE2 3.5Å; V27-F546 HydrophobicContact CG2-CZ 4.28Å |
| 28 | P | 71.9 | Confident | 70 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 7% | 0.065 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -67.7 | 157.7 | 0.9 | -2.9 | 16.1 | 0 | 0 | 0 | 113.8 | A26 R30 L235 G236 Y479 | A26-P28 CarbonylContact O-C 3.51Å; P28-R30 PolarHBondContact O-N 2.95Å; P28-L235 WeakPolarHBondContact CB-O 3.35Å; P28-G236 VanDerWaalsContact CB-CA 3.47Å; P28-Y479 HydrophobicContact CG-CD2 3.98Å; P28-Y479 HydrophobicContact CG-CG 4.03Å |
| 29 | Q | 83.4 | Confident | 72.8 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 95.8 | -164.1 | -65.7 | -66.2 | -23.9 | 0 | 0 | 111.4 | K31 F179 L235 W237 | Q29-K31 VanDerWaalsContact OE1-CE 3.31Å; Q29-F179 HydrophobicContact CG-CB 4.25Å; Q29-F179 HydrophobicContact CG-CD1 3.81Å; Q29-F179 HydrophobicContact CG-CE1 4.45Å; Q29-F179 HydrophobicContact CG-CG 4.07Å; Q29-L235 HydrophobicContact CB-CD2 4.41Å; Q29-L235 HydrophobicContact CG-CD2 3.94Å; Q29-L235 PolarHBondContact N-O 3.32Å; Q29-L235 VanDerWaalsContact N-O 3.14Å; Q29-W237 PolarHBondContact O-NE1 3.21Å |
| 30 | R | 89.4 | Confident | 75.6 | Confident | 46 Ų | 46 | 40.5 Ų | 40.5 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | trans | -129 | 89.1 | 177.4 | -168.4 | 176.7 | 179.2 | 171.8 | 3.1 | 113 | P28 M79 D475 F517 | P28-R30 PolarHBondContact O-N 2.95Å; R30-M79 CarbonylContact C-O 3.59Å; R30-M79 WeakPolarHBondContact CA-O 3.45Å; R30-M79 HydrophobicContact CG-CB 4.25Å; R30-M79 HydrophobicContact CG-SD 4.06Å; R30-M79 PolarHBondContact NE-SD 2.64Å; R30-M79 VanDerWaalsContact NE-SD 3.4Å; R30-D475 IonicContact CZ-OD1 2.72Å; R30-D475 IonicContact CZ-OD2 3.65Å; R30-D475 IonicContact NH1-OD1 3.92Å; R30-D475 PolarHBondContact NH1-OD1 3.04Å; R30-D475 IonicContact NH1-OD2 2.8Å; R30-D475 PolarHBondContact NH1-OD2 3.21Å; R30-D475 IonicContact NH2-OD2 3.53Å; R30-D475 PolarHBondContact NH2-OD2 3.02Å; R30-F517 HydrophobicContact CG-CB 3.95Å; R30-F517 HydrophobicContact CG-CG 4.49Å; R30-F517 VanDerWaalsContact NE-CD2 3.33Å; R30-F517 VanDerWaalsContact NH1-CZ 3.27Å; R30-F517 VanDerWaalsContact NH2-CD2 3.33Å | ||
| 31 | K | 89.5 | Confident | 78.1 | Confident | 23 Ų | 23 | 29.8 Ų | 29.8 | 10% | 0.1 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 162.4 | -174.5 | 58.7 | 179.9 | 171.4 | 173.3 | 0 | 113.9 | D25 Q29 E33 M79 Y80 Q81 | D25-K31 WeakPolarHBondContact OD1-CD 3.34Å; D25-K31 WeakPolarHBondContact OD1-CE 3.46Å; D25-K31 IonicContact OD1-NZ 3.45Å; D25-K31 PolarHBondContact OD1-NZ 3.29Å; D25-K31 IonicContact OD2-NZ 3.83Å; D25-K31 PolarHBondContact OD2-NZ 2.85Å; D25-K31 VanDerWaalsContact OD2-NZ 3.1Å; Q29-K31 VanDerWaalsContact OE1-CE 3.31Å; K31-E33 HydrophobicContact CD-CB 4.42Å; K31-E33 WeakPolarHBondContact CE-OE1 3.37Å; K31-E33 HydrophobicContact CG-CB 4.4Å; K31-E33 IonicContact NZ-OE1 3.09Å; K31-E33 PolarHBondContact NZ-OE1 3.48Å; K31-M79 PolarHBondContact N-O 2.89Å; K31-Y80 HydrophobicContact CG-CD2 4.1Å; K31-Y80 HydrophobicContact CG-CE2 4.24Å; K31-Y80 WeakPolarHBondContact O-CA 3.38Å; K31-Q81 PolarHBondContact O-N 2.73Å |
| 32 | S | 91 | Very high | 80.7 | Confident | 64 Ų | 64 | 24.9 Ų | 24.9 | 45% | 0.448 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121 | 159 | -52.7 | 0 | 0 | 0 | 0 | 109 | Q81 | S32-Q81 CarbonylContact C-O 2.87Å; S32-Q81 VanDerWaalsContact CA-O 3.22Å; S32-Q81 WeakPolarHBondContact CA-O 3.44Å |
| 33 | E | 90.4 | Very high | 82.6 | Confident | 11 Ų | 11 | 25.3 Ų | 25.3 | 5% | 0.051 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.9 | -169.6 | -173 | 166 | -119 | 0 | 0 | 112.5 | K31 W35 Y80 Q81 P82 Y83 K140 | K31-E33 HydrophobicContact CD-CB 4.42Å; K31-E33 WeakPolarHBondContact CE-OE1 3.37Å; K31-E33 HydrophobicContact CG-CB 4.4Å; K31-E33 IonicContact NZ-OE1 3.09Å; K31-E33 PolarHBondContact NZ-OE1 3.48Å; E33-W35 PolarHBondContact OE2-NE1 3.21Å; E33-Y80 HydrophobicContact CB-CE2 3.68Å; E33-Y80 WeakPolarHBondContact OE2-CE2 3.19Å; E33-Y80 PolarHBondContact OE2-OH 3.43Å; E33-Q81 PolarHBondContact N-O 2.93Å; E33-P82 WeakPolarHBondContact O-CA 3.25Å; E33-Y83 WeakPolarHBondContact O-CD1 3.16Å; E33-Y83 PolarHBondContact O-N 3.16Å; E33-K140 VanDerWaalsContact CD-CE 3.48Å; E33-K140 HydrophobicContact CG-CD 4.21Å; E33-K140 WeakPolarHBondContact OE1-CD 3.4Å; E33-K140 WeakPolarHBondContact OE1-CE 3.27Å; E33-K140 IonicContact OE1-NZ 3.05Å; E33-K140 PolarHBondContact OE1-NZ 2.78Å; E33-K140 IonicContact OE2-NZ 3.86Å; E33-K140 PolarHBondContact OE2-NZ 3.13Å |
| 34 | P | 93.4 | Very high | 83.8 | Confident | 40 Ų | 40 | 27.3 Ų | 27.3 | 26% | 0.26 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 136.5 | 175.7 | 28.7 | -31.8 | 0 | 0 | 0 | 111.3 | Y83 A85 S138 | P34-Y83 CarbonylContact C-O 3.59Å; P34-Y83 WeakPolarHBondContact CA-O 3.48Å; P34-Y83 HydrophobicContact CB-CE1 4.22Å; P34-Y83 HydrophobicContact CB-CE2 3.89Å; P34-A85 HydrophobicContact CB-CB 3.81Å; P34-S138 VanDerWaalsContact O-CB 3.27Å; P34-S138 WeakPolarHBondContact O-CB 3.32Å; P34-S138 PolarHBondContact O-OG 3Å |
| 35 | W | 94.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.8 | 170.1 | -71.6 | 78.5 | 0 | 0 | 0 | 110.6 | E33 F59 Y80 Y83 A84 A85 K140 V142 I159 I175 | E33-W35 PolarHBondContact OE2-NE1 3.21Å; W35-F59 HydrophobicContact CB-CE1 4.19Å; W35-F59 HydrophobicContact CB-CZ 3.84Å; W35-F59 AromaticContact CD1-CZ 3.94Å; W35-F59 HydrophobicContact CD2-CZ 4.44Å; W35-F59 HydrophobicContact CG-CE1 4.39Å; W35-F59 AromaticContact CG-CZ 3.81Å; W35-F59 HydrophobicContact CG-CZ 3.81Å; W35-Y80 PolarHBondContact NE1-OH 2.8Å; W35-Y83 PolarHBondContact N-O 2.92Å; W35-A84 CarbonylContact O-C 3.37Å; W35-A84 WeakPolarHBondContact O-CA 3.4Å; W35-A85 PolarHBondContact O-N 2.96Å; W35-K140 WeakPolarHBondContact CA-O 3.43Å; W35-K140 HydrophobicContact CD2-CB 3.78Å; W35-K140 HydrophobicContact CD2-CD 4.34Å; W35-K140 HydrophobicContact CE3-CB 3.6Å; W35-K140 HydrophobicContact CG-CB 4.42Å; W35-K140 HydrophobicContact CH2-CB 4.22Å; W35-K140 HydrophobicContact CH2-CD 3.87Å; W35-K140 HydrophobicContact CZ2-CB 4.35Å; W35-K140 HydrophobicContact CZ2-CD 3.56Å; W35-K140 HydrophobicContact CZ3-CB 3.84Å; W35-K140 HydrophobicContact CZ3-CD 4.36Å; W35-V142 HydrophobicContact CD2-CG2 4.32Å; W35-V142 HydrophobicContact CE3-CG2 3.51Å; W35-V142 HydrophobicContact CZ3-CG2 3.92Å; W35-I159 HydrophobicContact CH2-CD1 3.74Å; W35-I159 HydrophobicContact CH2-CG1 4.43Å; W35-I159 HydrophobicContact CZ3-CD1 3.69Å; W35-I159 HydrophobicContact CZ3-CG1 4.17Å; W35-I175 HydrophobicContact CH2-CG1 4.16Å; W35-I175 HydrophobicContact CZ2-CG1 4.14Å; W35-I175 HydrophobicContact CZ2-CG2 4.02Å |
| 36 | T | 94.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.3 | 167.5 | -53.9 | 0 | 0 | 0 | 0 | 108.5 | L88 L136 S138 K140 V141 V142 | T36-L88 HydrophobicContact CG2-CD1 3.81Å; T36-L88 HydrophobicContact CG2-CG 4.22Å; T36-L136 HydrophobicContact CG2-CD2 4.35Å; T36-S138 PolarHBondContact OG1-N 2.73Å; T36-S138 PolarHBondContact OG1-O 2.94Å; T36-K140 PolarHBondContact N-O 3.21Å; T36-V141 CarbonylContact O-C 3.6Å; T36-V141 WeakPolarHBondContact O-CA 3.46Å; T36-V142 PolarHBondContact O-N 3.43Å |
| 37 | I | 95.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121.1 | 173.4 | -53.1 | -54.6 | 0 | 0 | 0 | 108.4 | L39 F55 F59 A84 A86 V87 L88 V142 F144 | I37-L39 HydrophobicContact CG2-CD2 3.98Å; I37-F55 HydrophobicContact CG2-CB 4.35Å; I37-F59 HydrophobicContact CD1-CD2 3.46Å; I37-F59 VanDerWaalsContact CD1-CD2 3.46Å; I37-F59 HydrophobicContact CD1-CE2 3.59Å; I37-F59 HydrophobicContact CD1-CG 3.97Å; I37-F59 HydrophobicContact CD1-CZ 4.21Å; I37-F59 HydrophobicContact CG1-CD2 4.27Å; I37-F59 HydrophobicContact CG1-CG 4.34Å; I37-A84 HydrophobicContact CD1-CB 4.27Å; I37-A84 HydrophobicContact CG1-CB 3.45Å; I37-A84 VanDerWaalsContact CG1-CB 3.45Å; I37-A86 PolarHBondContact N-O 3.2Å; I37-V87 HydrophobicContact CB-CB 4.37Å; I37-V87 HydrophobicContact CB-CG1 4.25Å; I37-V87 HydrophobicContact CB-CG2 4.03Å; I37-V87 HydrophobicContact CG1-CG2 4.28Å; I37-V87 HydrophobicContact CG2-CG1 4.1Å; I37-V87 CarbonylContact O-C 3.59Å; I37-V87 WeakPolarHBondContact O-CA 3.43Å; I37-L88 PolarHBondContact O-N 3.14Å; I37-V142 HydrophobicContact CD1-CB 3.78Å; I37-V142 HydrophobicContact CD1-CG2 3.85Å; I37-F144 HydrophobicContact CG2-CD2 3.76Å; I37-F144 HydrophobicContact CG2-CE2 3.59Å |
| 38 | L | 93.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 115 | -172.5 | -170.5 | 67.5 | 0 | 0 | 0 | 110.4 | L88 F91 C125 V126 A129 V141 V142 T143 F144 | L38-L88 HydrophobicContact CD1-CB 3.89Å; L38-L88 HydrophobicContact CD1-CD1 4.28Å; L38-F91 HydrophobicContact CD1-CE1 3.36Å; L38-F91 HydrophobicContact CD1-CZ 3.55Å; L38-F91 HydrophobicContact CD2-CZ 4.05Å; L38-F91 HydrophobicContact CG-CE1 3.95Å; L38-F91 HydrophobicContact CG-CZ 3.75Å; L38-C125 HydrophobicContact CD2-CB 3.95Å; L38-V126 HydrophobicContact CD2-CG2 4.04Å; L38-A129 HydrophobicContact CD1-CB 3.51Å; L38-A129 HydrophobicContact CD2-CB 4.17Å; L38-A129 HydrophobicContact CG-CB 4.47Å; L38-V141 HydrophobicContact CB-CG1 3.87Å; L38-V141 HydrophobicContact CD2-CG1 4.22Å; L38-V142 PolarHBondContact N-O 3.36Å; L38-T143 HydrophobicContact CD2-CG2 4.26Å; L38-T143 CarbonylContact O-C 3.49Å; L38-T143 WeakPolarHBondContact O-CA 3.38Å; L38-F144 PolarHBondContact O-N 3.02Å |
| 39 | L | 93 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 112 | 179.8 | -49.7 | -175.2 | 0 | 0 | 0 | 108.7 | I37 A52 F55 V87 L88 G89 W90 F91 F144 | I37-L39 HydrophobicContact CG2-CD2 3.98Å; L39-A52 HydrophobicContact CD1-CB 3.89Å; L39-F55 HydrophobicContact CD1-CB 4.48Å; L39-F55 HydrophobicContact CD1-CD2 3.53Å; L39-F55 HydrophobicContact CD1-CE2 4.02Å; L39-F55 HydrophobicContact CD1-CG 4.17Å; L39-F55 HydrophobicContact CD2-CB 4.31Å; L39-F55 HydrophobicContact CD2-CD1 3.93Å; L39-F55 HydrophobicContact CD2-CD2 3.62Å; L39-F55 HydrophobicContact CD2-CE1 4.11Å; L39-F55 HydrophobicContact CD2-CE2 3.83Å; L39-F55 HydrophobicContact CD2-CG 3.68Å; L39-F55 HydrophobicContact CD2-CZ 4.07Å; L39-F55 HydrophobicContact CG-CD2 4.26Å; L39-V87 HydrophobicContact CD1-CG1 3.94Å; L39-V87 HydrophobicContact CG-CG1 4.23Å; L39-L88 WeakPolarHBondContact CB-O 3.48Å; L39-L88 PolarHBondContact N-O 3.41Å; L39-G89 CarbonylContact O-C 3.41Å; L39-G89 VanDerWaalsContact O-O 3.09Å; L39-W90 HydrophobicContact CB-CD2 3.55Å; L39-W90 HydrophobicContact CB-CE3 3.71Å; L39-W90 HydrophobicContact CB-CG 3.96Å; L39-W90 HydrophobicContact CB-CH2 4.43Å; L39-W90 HydrophobicContact CB-CZ2 4.29Å; L39-W90 HydrophobicContact CB-CZ3 4.14Å; L39-W90 HydrophobicContact CD1-CD2 4.44Å; L39-W90 HydrophobicContact CD1-CG 4.49Å; L39-W90 HydrophobicContact CD2-CZ2 4.46Å; L39-W90 VanDerWaalsContact O-CA 3.29Å; L39-W90 WeakPolarHBondContact O-CA 3.33Å; L39-F91 WeakPolarHBondContact O-CD1 3.47Å; L39-F91 WeakPolarHBondContact O-CE1 3.06Å; L39-F91 PolarHBondContact O-N 3.15Å; L39-F144 HydrophobicContact CD2-CB 3.79Å; L39-F144 HydrophobicContact CD2-CD2 3.6Å; L39-F144 HydrophobicContact CD2-CG 4.04Å |
| 40 | C | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.8 | -169 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | W90 F91 I93 C125 T143 F144 V145 | C40-W90 WeakPolarHBondContact O-CZ3 3.48Å; C40-F91 HydrophobicContact CB-CD2 4.48Å; C40-F91 HydrophobicContact CB-CE2 3.76Å; C40-F91 HydrophobicContact CB-CZ 3.76Å; C40-F91 WeakPolarHBondContact SG-CE2 3.15Å; C40-I93 VanDerWaalsContact SG-CG2 3.56Å; C40-C125 HydrophobicContact CB-CB 3.6Å; C40-C125 WeakPolarHBondContact CB-SG 3.32Å; C40-C125 WeakPolarHBondContact SG-CB 3.34Å; C40-C125 CovalentContact SG-SG 2.04Å; C40-C125 PolarHBondContact SG-SG 3.31Å; C40-T143 HydrophobicContact CB-CG2 4.3Å; C40-F144 PolarHBondContact N-O 3.09Å; C40-V145 VanDerWaalsContact O-CA 3.25Å; C40-V145 WeakPolarHBondContact O-CA 3.29Å; C40-V145 WeakPolarHBondContact O-CG2 3.44Å |
| 41 | N | 88.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.5 | 178.1 | -87.1 | -15.3 | 0 | 0 | 0 | 112.4 | H45 S48 W90 F91 R92 I93 D146 | N41-H45 HydrophobicContact CB-CB 4.19Å; N41-H45 PolarHBondContact ND2-ND1 2.92Å; N41-S48 PolarHBondContact ND2-OG 3.08Å; N41-W90 HydrophobicContact CB-CE3 4.32Å; N41-W90 VanDerWaalsContact CG-CE3 3.48Å; N41-W90 WeakPolarHBondContact OD1-CZ3 3.28Å; N41-F91 PolarHBondContact N-O 3.44Å; N41-R92 HydrophobicContact CB-CG 4.49Å; N41-R92 CarbonylContact O-C 3.56Å; N41-R92 VanDerWaalsContact O-CA 3.25Å; N41-R92 WeakPolarHBondContact O-CA 3.15Å; N41-I93 WeakPolarHBondContact O-CG1 3.49Å; N41-I93 PolarHBondContact O-N 3.01Å; N41-D146 PolarHBondContact ND2-OD2 3.29Å; N41-D146 VanDerWaalsContact ND2-OD2 3.09Å; N41-D146 WeakPolarHBondContact OD1-CB 3.34Å; N41-D146 PolarHBondContact OD1-N 3.36Å; N41-D146 PolarHBondContact OD1-OD2 3.17Å; N41-D146 VanDerWaalsContact OD1-OD2 3.09Å |
| 42 | F | 90.3 | Very high | 86.4 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 157.7 | 169.8 | -68.8 | -79.1 | 0 | 0 | 0 | 111.5 | S44 H45 I93 V95 P97 V100 T121 V145 D146 L148 | F42-S44 PolarHBondContact O-N 3.09Å; F42-H45 WeakPolarHBondContact O-CB 3.37Å; F42-H45 PolarHBondContact O-N 3.41Å; F42-H45 VanDerWaalsContact O-N 3.09Å; F42-I93 HydrophobicContact CD1-CD1 3.97Å; F42-I93 HydrophobicContact CD1-CG1 4.31Å; F42-I93 HydrophobicContact CE1-CD1 4.06Å; F42-V95 HydrophobicContact CD1-CG2 4.24Å; F42-V95 WeakPolarHBondContact CD1-O 3.17Å; F42-V95 HydrophobicContact CE1-CG2 4.46Å; F42-P97 HydrophobicContact CB-CG 4.45Å; F42-P97 HydrophobicContact CD1-CG 4.12Å; F42-P97 HydrophobicContact CD2-CG 3.78Å; F42-P97 HydrophobicContact CE1-CG 4.28Å; F42-P97 HydrophobicContact CE2-CG 3.97Å; F42-P97 HydrophobicContact CG-CG 3.86Å; F42-P97 HydrophobicContact CZ-CB 4.49Å; F42-P97 HydrophobicContact CZ-CG 4.2Å; F42-V100 HydrophobicContact CE1-CG2 3.83Å; F42-T121 HydrophobicContact CE1-CG2 4.06Å; F42-T121 HydrophobicContact CE2-CG2 4.12Å; F42-T121 HydrophobicContact CZ-CG2 3.47Å; F42-T121 VanDerWaalsContact CZ-CG2 3.47Å; F42-V145 HydrophobicContact CD2-CG2 4.16Å; F42-V145 HydrophobicContact CE2-CG2 3.77Å; F42-V145 HydrophobicContact CZ-CG2 4.47Å; F42-D146 WeakPolarHBondContact CD2-O 3.32Å; F42-L148 HydrophobicContact CE2-CD2 4.25Å; F42-L148 HydrophobicContact CE2-CG 4.06Å; F42-L148 HydrophobicContact CZ-CD2 4.24Å; F42-L148 HydrophobicContact CZ-CG 4.31Å |
| 43 | K | 88 | Confident | 86.5 | Confident | 123 Ų | 123 | 45.7 Ų | 45.7 | 54% | 0.535 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -36.4 | 177.6 | -176.3 | 177.8 | 176.1 | -179.3 | 0 | 112.7 | I93 V95 | K43-I93 WeakPolarHBondContact CB-O 3.22Å; K43-I93 PolarHBondContact N-O 2.82Å; K43-V95 WeakPolarHBondContact CB-O 3.3Å; K43-V95 PolarHBondContact N-O 2.98Å |
| 44 | S | 78.2 | Confident | 86.6 | Confident | 83 Ų | 83 | 46.9 Ų | 46.9 | 58% | 0.58 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4.4 | -177.4 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | F42 | F42-S44 PolarHBondContact O-N 3.09Š|
| 45 | H | 74.1 | Confident | 86.7 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 25% | 0.25 | 25% | 0.252 | C | S | . | . | trans | -77 | 144.4 | -173.5 | -166.6 | -97.2 | 0 | 0 | 0 | 113 | N41 F42 L47 D146 | N41-H45 HydrophobicContact CB-CB 4.19Å; N41-H45 PolarHBondContact ND2-ND1 2.92Å; F42-H45 WeakPolarHBondContact O-CB 3.37Å; F42-H45 PolarHBondContact O-N 3.41Å; F42-H45 VanDerWaalsContact O-N 3.09Å; H45-L47 PolarHBondContact CE1-O 2.96Å; H45-D146 VanDerWaalsContact CD2-CB 3.48Å; H45-D146 WeakPolarHBondContact CD2-CB 3.48Å; H45-D146 WeakPolarHBondContact CE1-CB 3.3Å; H45-D146 VanDerWaalsContact CE1-CG 3.49Å; H45-D146 IonicContact CE1-OD2 2.75Å; H45-D146 PolarHBondContact CE1-OD2 3.33Å; H45-D146 IonicContact ND1-OD2 3.42Å; H45-D146 PolarHBondContact ND1-OD2 3.15Å; H45-D146 WeakPolarHBondContact NE2-CB 3.36Å; H45-D146 IonicContact NE2-OD2 3.78Å | ||
| 46 | G | 71.8 | Confident | 86.8 | Confident | 46 Ų | 46 | 48.1 Ų | 48.1 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | trans | -74.8 | -145.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 47 | L | 68.2 | Low | 86.9 | Confident | 168 Ų | 168 | 52.9 Ų | 52.9 | 88% | 0.88 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -70.1 | 137.7 | 174.6 | -69.4 | 167.9 | 0 | 0 | 0 | 110.3 | H45 | H45-L47 PolarHBondContact CE1-O 2.96Š|
| 48 | S | 72.8 | Confident | 87 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | trans | -68.2 | 147.5 | 176.7 | -54 | 0 | 0 | 0 | 0 | 111.5 | N41 Q50 W90 | N41-S48 PolarHBondContact ND2-OG 3.08Å; S48-Q50 VanDerWaalsContact C-N 3.35Å; S48-Q50 PolarHBondContact O-N 3.07Å; S48-W90 VanDerWaalsContact OG-CD2 3.31Å | ||
| 49 | V | 76.7 | Confident | 87.2 | Confident | 85 Ų | 85 | 53 Ų | 53 | 52% | 0.515 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -66.6 | -35.5 | -177 | -173.6 | 0 | 0 | 0 | 0 | 112.6 | P163 | V49-P163 HydrophobicContact CG2-CB 4.17Å; V49-P163 HydrophobicContact CG2-CG 4.18Å |
| 50 | Q | 88.1 | Confident | 87.4 | Confident | 72 Ų | 72 | 55.1 Ų | 55.1 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -139.8 | 153.1 | -177.5 | -64.3 | -62.4 | -13 | 0 | 0 | 110.8 | S48 W54 F55 W90 | S48-Q50 VanDerWaalsContact C-N 3.35Å; S48-Q50 PolarHBondContact O-N 3.07Å; Q50-W54 HydrophobicContact CB-CB 4.08Å; Q50-W54 HydrophobicContact CB-CD2 3.81Å; Q50-W54 HydrophobicContact CB-CE3 3.68Å; Q50-W54 HydrophobicContact CB-CG 3.99Å; Q50-W54 HydrophobicContact CB-CZ3 4.38Å; Q50-W54 HydrophobicContact CG-CD2 3.64Å; Q50-W54 HydrophobicContact CG-CE3 3.72Å; Q50-W54 HydrophobicContact CG-CG 4.04Å; Q50-W54 HydrophobicContact CG-CH2 4.44Å; Q50-W54 HydrophobicContact CG-CZ2 4.35Å; Q50-W54 HydrophobicContact CG-CZ3 4.11Å; Q50-F55 HydrophobicContact CB-CD2 4.42Å; Q50-F55 HydrophobicContact CB-CE2 3.75Å; Q50-F55 HydrophobicContact CB-CZ 4.21Å; Q50-W90 PolarHBondContact O-NE1 3.25Å |
| 51 | N | 89.6 | Confident | 87.7 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | trans | -85.9 | 167.9 | 176.6 | 70.2 | 16.4 | 0 | 0 | 0 | 111.9 | E53 W54 F55 | N51-E53 VanDerWaalsContact C-N 3.29Å; N51-E53 PolarHBondContact O-N 2.93Å; N51-E53 PolarHBondContact OD1-N 3.42Å; N51-W54 WeakPolarHBondContact O-CB 3.31Å; N51-W54 PolarHBondContact O-N 3.4Å; N51-W54 VanDerWaalsContact O-N 3.15Å; N51-W54 WeakPolarHBondContact OD1-CB 3.23Å; N51-W54 PolarHBondContact OD1-N 2.91Å; N51-F55 VanDerWaalsContact O-CD2 3.27Å; N51-F55 WeakPolarHBondContact O-CD2 3.05Å; N51-F55 PolarHBondContact O-N 3.45Å | ||
| 52 | A | 91.1 | Very high | 87.9 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.5 | -34.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L39 W54 F55 D56 V87 | L39-A52 HydrophobicContact CD1-CB 3.89Å; A52-W54 VanDerWaalsContact C-N 3.29Å; A52-W54 PolarHBondContact O-N 2.68Å; A52-F55 PolarHBondContact O-N 3.15Å; A52-D56 PolarHBondContact O-N 3.47Å; A52-V87 HydrophobicContact CB-CG1 4.1Å |
| 53 | E | 92.9 | Very high | 88 | Confident | 107 Ų | 107 | 66.8 Ų | 66.8 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 177 | -168.8 | -166.5 | 154 | 0 | 0 | 112.1 | N51 D56 R57 | N51-E53 VanDerWaalsContact C-N 3.29Å; N51-E53 PolarHBondContact O-N 2.93Å; N51-E53 PolarHBondContact OD1-N 3.42Å; E53-D56 PolarHBondContact O-N 3.33Å; E53-R57 WeakPolarHBondContact O-CG 3.16Å; E53-R57 PolarHBondContact O-N 3.39Å; E53-R57 IonicContact OE1-CZ 3.26Å; E53-R57 VanDerWaalsContact OE1-CZ 3.23Å; E53-R57 IonicContact OE1-NH1 2.7Å; E53-R57 PolarHBondContact OE1-NH1 2.53Å; E53-R57 IonicContact OE1-NH2 2.7Å; E53-R57 PolarHBondContact OE1-NH2 2.88Å |
| 54 | W | 93.9 | Very high | 88.3 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 173.9 | -177.1 | 95.4 | 0 | 0 | 0 | 111.6 | Q50 N51 A52 R57 W58 Y220 | Q50-W54 HydrophobicContact CB-CB 4.08Å; Q50-W54 HydrophobicContact CB-CD2 3.81Å; Q50-W54 HydrophobicContact CB-CE3 3.68Å; Q50-W54 HydrophobicContact CB-CG 3.99Å; Q50-W54 HydrophobicContact CB-CZ3 4.38Å; Q50-W54 HydrophobicContact CG-CD2 3.64Å; Q50-W54 HydrophobicContact CG-CE3 3.72Å; Q50-W54 HydrophobicContact CG-CG 4.04Å; Q50-W54 HydrophobicContact CG-CH2 4.44Å; Q50-W54 HydrophobicContact CG-CZ2 4.35Å; Q50-W54 HydrophobicContact CG-CZ3 4.11Å; N51-W54 WeakPolarHBondContact O-CB 3.31Å; N51-W54 PolarHBondContact O-N 3.4Å; N51-W54 VanDerWaalsContact O-N 3.15Å; N51-W54 WeakPolarHBondContact OD1-CB 3.23Å; N51-W54 PolarHBondContact OD1-N 2.91Å; A52-W54 VanDerWaalsContact C-N 3.29Å; A52-W54 PolarHBondContact O-N 2.68Å; W54-R57 PolarHBondContact O-N 2.9Å; W54-W58 HydrophobicContact CE3-CE3 4.2Å; W54-W58 AromaticContact CH2-CD2 3.84Å; W54-W58 HydrophobicContact CH2-CD2 3.84Å; W54-W58 AromaticContact CH2-CE3 3.46Å; W54-W58 HydrophobicContact CH2-CE3 3.46Å; W54-W58 VanDerWaalsContact CH2-CE3 3.46Å; W54-W58 HydrophobicContact CH2-CG 4.32Å; W54-W58 AromaticContact CH2-CZ3 3.88Å; W54-W58 HydrophobicContact CH2-CZ3 3.88Å; W54-W58 HydrophobicContact CZ3-CB 4.4Å; W54-W58 AromaticContact CZ3-CD2 3.96Å; W54-W58 HydrophobicContact CZ3-CD2 3.96Å; W54-W58 AromaticContact CZ3-CE3 3.21Å; W54-W58 HydrophobicContact CZ3-CE3 3.21Å; W54-W58 HydrophobicContact CZ3-CG 4.47Å; W54-W58 AromaticContact CZ3-CZ3 3.73Å; W54-W58 HydrophobicContact CZ3-CZ3 3.73Å; W54-W58 WeakPolarHBondContact O-CB 3.27Å; W54-W58 PolarHBondContact O-N 3.1Å; W54-Y220 AromaticContact CE2-CD1 3.92Å; W54-Y220 HydrophobicContact CH2-CD1 4.31Å; W54-Y220 AromaticContact CZ2-CD1 3.65Å; W54-Y220 HydrophobicContact CZ2-CD1 3.65Å; W54-Y220 HydrophobicContact CZ2-CE1 4.32Å |
| 55 | F | 95.1 | Very high | 89 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 177.1 | -71.8 | -82.3 | 0 | 0 | 0 | 112.4 | I37 L39 Q50 N51 A52 W58 F59 V87 W90 F144 F166 | I37-F55 HydrophobicContact CG2-CB 4.35Å; L39-F55 HydrophobicContact CD1-CB 4.48Å; L39-F55 HydrophobicContact CD1-CD2 3.53Å; L39-F55 HydrophobicContact CD1-CE2 4.02Å; L39-F55 HydrophobicContact CD1-CG 4.17Å; L39-F55 HydrophobicContact CD2-CB 4.31Å; L39-F55 HydrophobicContact CD2-CD1 3.93Å; L39-F55 HydrophobicContact CD2-CD2 3.62Å; L39-F55 HydrophobicContact CD2-CE1 4.11Å; L39-F55 HydrophobicContact CD2-CE2 3.83Å; L39-F55 HydrophobicContact CD2-CG 3.68Å; L39-F55 HydrophobicContact CD2-CZ 4.07Å; L39-F55 HydrophobicContact CG-CD2 4.26Å; Q50-F55 HydrophobicContact CB-CD2 4.42Å; Q50-F55 HydrophobicContact CB-CE2 3.75Å; Q50-F55 HydrophobicContact CB-CZ 4.21Å; N51-F55 VanDerWaalsContact O-CD2 3.27Å; N51-F55 WeakPolarHBondContact O-CD2 3.05Å; N51-F55 PolarHBondContact O-N 3.45Å; A52-F55 PolarHBondContact O-N 3.15Å; F55-W58 AromaticContact CD1-CE3 3.95Å; F55-W58 HydrophobicContact CD1-CE3 3.95Å; F55-W58 HydrophobicContact CD1-CZ3 4.19Å; F55-W58 HydrophobicContact CE1-CE3 4.3Å; F55-W58 HydrophobicContact CE1-CZ3 4.14Å; F55-W58 PolarHBondContact O-N 2.84Å; F55-F59 WeakPolarHBondContact O-CB 3.46Å; F55-F59 PolarHBondContact O-N 2.96Å; F55-V87 HydrophobicContact CB-CG1 4.28Å; F55-W90 AromaticContact CE2-CZ2 3.59Å; F55-W90 HydrophobicContact CE2-CZ2 3.59Å; F55-W90 HydrophobicContact CZ-CH2 4.43Å; F55-W90 AromaticContact CZ-CZ2 3.83Å; F55-W90 HydrophobicContact CZ-CZ2 3.83Å; F55-F144 HydrophobicContact CD1-CD1 4.27Å; F55-F144 AromaticContact CD1-CD2 3.72Å; F55-F144 HydrophobicContact CD1-CD2 3.72Å; F55-F144 HydrophobicContact CD1-CE1 4.21Å; F55-F144 AromaticContact CD1-CE2 3.63Å; F55-F144 HydrophobicContact CD1-CE2 3.63Å; F55-F144 HydrophobicContact CD1-CG 4Å; F55-F144 AromaticContact CD1-CZ 3.86Å; F55-F144 HydrophobicContact CD1-CZ 3.86Å; F55-F144 HydrophobicContact CE1-CB 4.06Å; F55-F144 AromaticContact CE1-CD1 3.59Å; F55-F144 HydrophobicContact CE1-CD1 3.59Å; F55-F144 AromaticContact CE1-CD2 3.73Å; F55-F144 HydrophobicContact CE1-CD2 3.73Å; F55-F144 AromaticContact CE1-CE1 3.84Å; F55-F144 HydrophobicContact CE1-CE1 3.84Å; F55-F144 AromaticContact CE1-CE2 3.95Å; F55-F144 HydrophobicContact CE1-CE2 3.95Å; F55-F144 AromaticContact CE1-CG 3.5Å; F55-F144 HydrophobicContact CE1-CG 3.5Å; F55-F144 VanDerWaalsContact CE1-CG 3.5Å; F55-F144 AromaticContact CE1-CZ 3.98Å; F55-F144 HydrophobicContact CE1-CZ 3.98Å; F55-F144 HydrophobicContact CZ-CB 4.29Å; F55-F144 HydrophobicContact CZ-CD1 4.46Å; F55-F144 HydrophobicContact CZ-CG 4.22Å; F55-F166 HydrophobicContact CE1-CD2 4.33Å; F55-F166 HydrophobicContact CE1-CE2 4.26Å; F55-F166 HydrophobicContact CZ-CD2 4.08Å; F55-F166 AromaticContact CZ-CE2 3.74Å; F55-F166 HydrophobicContact CZ-CE2 3.74Å; F55-F166 HydrophobicContact CZ-CZ 4.26Å |
| 56 | D | 95.6 | Very high | 89.9 | Confident | 64 Ų | 64 | 63.8 Ų | 63.8 | 34% | 0.342 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.6 | -52.4 | 174.3 | -178.6 | 68.4 | 0 | 0 | 0 | 110.7 | A52 E53 W58 F59 N60 V87 | A52-D56 PolarHBondContact O-N 3.47Å; E53-D56 PolarHBondContact O-N 3.33Å; D56-W58 PolarHBondContact O-N 2.93Å; D56-F59 PolarHBondContact O-N 2.97Å; D56-N60 VanDerWaalsContact O-CB 3.3Å; D56-N60 WeakPolarHBondContact O-CB 3.38Å; D56-N60 PolarHBondContact O-N 3.34Å; D56-N60 PolarHBondContact OD1-ND2 3.37Å; D56-V87 HydrophobicContact CB-CG2 3.79Å |
| 57 | R | 96.3 | Very high | 91.2 | Very high | 100 Ų | 100 | 61.6 Ų | 61.6 | 38% | 0.377 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 177.1 | -71.9 | -168.5 | -65.9 | -132.2 | -8.1 | 113 | E53 W54 F59 A61 | E53-R57 WeakPolarHBondContact O-CG 3.16Å; E53-R57 PolarHBondContact O-N 3.39Å; E53-R57 IonicContact OE1-CZ 3.26Å; E53-R57 VanDerWaalsContact OE1-CZ 3.23Å; E53-R57 IonicContact OE1-NH1 2.7Å; E53-R57 PolarHBondContact OE1-NH1 2.53Å; E53-R57 IonicContact OE1-NH2 2.7Å; E53-R57 PolarHBondContact OE1-NH2 2.88Å; W54-R57 PolarHBondContact O-N 2.9Å; R57-F59 VanDerWaalsContact C-N 3.28Å; R57-F59 PolarHBondContact O-N 3.28Å; R57-A61 WeakPolarHBondContact O-CB 3.29Å; R57-A61 PolarHBondContact O-N 3.44Å |
| 58 | W | 97.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -42.4 | 177.8 | 178.6 | 25 | 0 | 0 | 0 | 111.4 | W54 F55 D56 S67 I68 F144 L161 F166 M167 S168 L171 Y220 | W54-W58 HydrophobicContact CE3-CE3 4.2Å; W54-W58 AromaticContact CH2-CD2 3.84Å; W54-W58 HydrophobicContact CH2-CD2 3.84Å; W54-W58 AromaticContact CH2-CE3 3.46Å; W54-W58 HydrophobicContact CH2-CE3 3.46Å; W54-W58 VanDerWaalsContact CH2-CE3 3.46Å; W54-W58 HydrophobicContact CH2-CG 4.32Å; W54-W58 AromaticContact CH2-CZ3 3.88Å; W54-W58 HydrophobicContact CH2-CZ3 3.88Å; W54-W58 HydrophobicContact CZ3-CB 4.4Å; W54-W58 AromaticContact CZ3-CD2 3.96Å; W54-W58 HydrophobicContact CZ3-CD2 3.96Å; W54-W58 AromaticContact CZ3-CE3 3.21Å; W54-W58 HydrophobicContact CZ3-CE3 3.21Å; W54-W58 HydrophobicContact CZ3-CG 4.47Å; W54-W58 AromaticContact CZ3-CZ3 3.73Å; W54-W58 HydrophobicContact CZ3-CZ3 3.73Å; W54-W58 WeakPolarHBondContact O-CB 3.27Å; W54-W58 PolarHBondContact O-N 3.1Å; F55-W58 AromaticContact CD1-CE3 3.95Å; F55-W58 HydrophobicContact CD1-CE3 3.95Å; F55-W58 HydrophobicContact CD1-CZ3 4.19Å; F55-W58 HydrophobicContact CE1-CE3 4.3Å; F55-W58 HydrophobicContact CE1-CZ3 4.14Å; F55-W58 PolarHBondContact O-N 2.84Å; D56-W58 PolarHBondContact O-N 2.93Å; W58-S67 CarbonylContact O-C 3.55Å; W58-S67 VanDerWaalsContact O-CA 3.23Å; W58-S67 WeakPolarHBondContact O-CA 3.34Å; W58-S67 VanDerWaalsContact O-CB 3.31Å; W58-S67 WeakPolarHBondContact O-CB 3.44Å; W58-I68 HydrophobicContact CZ2-CD1 4.27Å; W58-I68 PolarHBondContact O-N 2.96Å; W58-F144 HydrophobicContact CE3-CE1 4.41Å; W58-F144 HydrophobicContact CE3-CZ 4.13Å; W58-F144 AromaticContact CH2-CE1 3.9Å; W58-F144 HydrophobicContact CH2-CE1 3.9Å; W58-F144 HydrophobicContact CH2-CZ 4.13Å; W58-F144 HydrophobicContact CZ3-CD1 4.46Å; W58-F144 AromaticContact CZ3-CE1 3.41Å; W58-F144 HydrophobicContact CZ3-CE1 3.41Å; W58-F144 VanDerWaalsContact CZ3-CE1 3.41Å; W58-F144 AromaticContact CZ3-CZ 3.5Å; W58-F144 HydrophobicContact CZ3-CZ 3.5Å; W58-F144 VanDerWaalsContact CZ3-CZ 3.5Å; W58-L161 HydrophobicContact CH2-CD2 4.29Å; W58-F166 HydrophobicContact CH2-CB 4.49Å; W58-F166 HydrophobicContact CZ3-CB 4.45Å; W58-M167 VanDerWaalsContact CZ2-C 3.48Å; W58-S168 PolarHBondContact NE1-OG 3.27Å; W58-L171 HydrophobicContact CH2-CB 4.22Å; W58-L171 HydrophobicContact CH2-CD2 3.95Å; W58-L171 HydrophobicContact CZ2-CB 4.04Å; W58-L171 HydrophobicContact CZ2-CD2 3.96Å; W58-L171 HydrophobicContact CZ3-CD2 4.35Å; W58-Y220 VanDerWaalsContact CA-CE1 3.5Å; W58-Y220 HydrophobicContact CB-CD1 3.53Å; W58-Y220 HydrophobicContact CB-CE1 3.49Å; W58-Y220 VanDerWaalsContact CB-CE1 3.49Å; W58-Y220 HydrophobicContact CB-CG 4.25Å; W58-Y220 VanDerWaalsContact CD1-CB 3.42Å; W58-Y220 AromaticContact CD1-CD1 3.47Å; W58-Y220 VanDerWaalsContact CD1-CD1 3.47Å; W58-Y220 AromaticContact CD1-CD2 3.82Å; W58-Y220 AromaticContact CD1-CG 3.29Å; W58-Y220 HydrophobicContact CD2-CD1 4.41Å; W58-Y220 AromaticContact CG-CD1 3.52Å; W58-Y220 HydrophobicContact CG-CD1 3.52Å; W58-Y220 HydrophobicContact CG-CE1 4.02Å; W58-Y220 AromaticContact CG-CG 3.86Å; W58-Y220 HydrophobicContact CG-CG 3.86Å; W58-Y220 AromaticContact NE1-CG 3.92Å |
| 59 | F | 97.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -78.2 | -47.4 | -178.4 | -154.7 | -81.9 | 0 | 0 | 0 | 112.5 | W35 I37 F55 D56 R57 I68 A69 P82 Y83 A84 V142 L171 I175 | W35-F59 HydrophobicContact CB-CE1 4.19Å; W35-F59 HydrophobicContact CB-CZ 3.84Å; W35-F59 AromaticContact CD1-CZ 3.94Å; W35-F59 HydrophobicContact CD2-CZ 4.44Å; W35-F59 HydrophobicContact CG-CE1 4.39Å; W35-F59 AromaticContact CG-CZ 3.81Å; W35-F59 HydrophobicContact CG-CZ 3.81Å; I37-F59 HydrophobicContact CD1-CD2 3.46Å; I37-F59 VanDerWaalsContact CD1-CD2 3.46Å; I37-F59 HydrophobicContact CD1-CE2 3.59Å; I37-F59 HydrophobicContact CD1-CG 3.97Å; I37-F59 HydrophobicContact CD1-CZ 4.21Å; I37-F59 HydrophobicContact CG1-CD2 4.27Å; I37-F59 HydrophobicContact CG1-CG 4.34Å; F55-F59 WeakPolarHBondContact O-CB 3.46Å; F55-F59 PolarHBondContact O-N 2.96Å; D56-F59 PolarHBondContact O-N 2.97Å; R57-F59 VanDerWaalsContact C-N 3.28Å; R57-F59 PolarHBondContact O-N 3.28Å; F59-I68 HydrophobicContact CD2-CB 4.15Å; F59-I68 HydrophobicContact CD2-CG1 4.07Å; F59-I68 HydrophobicContact CD2-CG2 4.23Å; F59-I68 HydrophobicContact CE2-CB 4.39Å; F59-I68 HydrophobicContact CE2-CG1 4.5Å; F59-I68 HydrophobicContact CE2-CG2 3.96Å; F59-I68 HydrophobicContact CG-CB 4.32Å; F59-I68 HydrophobicContact CZ-CG2 4.12Å; F59-A69 WeakPolarHBondContact O-CB 3.18Å; F59-A69 PolarHBondContact O-N 3.43Å; F59-P82 HydrophobicContact CE1-CB 4.04Å; F59-P82 HydrophobicContact CZ-CB 4.21Å; F59-Y83 VanDerWaalsContact CE1-C 3.43Å; F59-A84 HydrophobicContact CB-CB 4.14Å; F59-A84 HydrophobicContact CD1-CB 3.73Å; F59-A84 VanDerWaalsContact CD1-N 3.28Å; F59-A84 HydrophobicContact CE1-CB 4.39Å; F59-A84 HydrophobicContact CG-CB 4.04Å; F59-V142 HydrophobicContact CE2-CG2 4.2Å; F59-L171 HydrophobicContact CD2-CD2 4.18Å; F59-L171 HydrophobicContact CE2-CD2 4.28Å; F59-I175 HydrophobicContact CE2-CD1 4.08Å; F59-I175 HydrophobicContact CZ-CD1 4.23Å |
| 60 | N | 97.7 | Very high | 94.7 | Very high | 43 Ų | 43 | 49.1 Ų | 49.1 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -95 | -18.5 | -165.7 | -75.5 | -29.8 | 0 | 0 | 0 | 115.6 | D56 E62 Y83 A84 | D56-N60 VanDerWaalsContact O-CB 3.3Å; D56-N60 WeakPolarHBondContact O-CB 3.38Å; D56-N60 PolarHBondContact O-N 3.34Å; D56-N60 PolarHBondContact OD1-ND2 3.37Å; N60-E62 PolarHBondContact O-N 3.39Å; N60-Y83 WeakPolarHBondContact OD1-CA 3.15Å; N60-A84 PolarHBondContact ND2-O 3Å; N60-A84 PolarHBondContact OD1-N 3.22Å |
| 61 | A | 96.7 | Very high | 95.2 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 12% | 0.124 | 22% | 0.223 | C | C | . | . | trans | -60.5 | 134 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111 | R57 R64 S67 | R57-A61 WeakPolarHBondContact O-CB 3.29Å; R57-A61 PolarHBondContact O-N 3.44Å; A61-R64 HydrophobicContact CB-CB 3.88Å; A61-R64 HydrophobicContact CB-CG 3.99Å; A61-S67 VanDerWaalsContact O-CB 3.23Å; A61-S67 WeakPolarHBondContact O-CB 3.36Å; A61-S67 PolarHBondContact O-OG 2.84Å | ||
| 62 | E | 93.2 | Very high | 95.6 | Very high | 105 Ų | 105 | 41.6 Ų | 41.6 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -102.3 | -7.8 | -178.2 | -80.6 | -166.2 | -159.1 | 0 | 0 | 113.3 | N60 A69 R73 | N60-E62 PolarHBondContact O-N 3.39Å; E62-A69 HydrophobicContact CG-CB 4.46Å; E62-R73 PolarHBondContact O-NH1 3.13Å; E62-R73 PolarHBondContact O-NH2 2.73Å; E62-R73 IonicContact OE2-NH1 3.23Å; E62-R73 PolarHBondContact OE2-NH1 3.21Å |
| 63 | D | 92.2 | Very high | 95.8 | Very high | 132 Ų | 132 | 43 Ų | 43 | 71% | 0.706 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -126.1 | 8.9 | -170.9 | 66.9 | -25.4 | 0 | 0 | 0 | 112.8 | ||
| 64 | R | 94.4 | Very high | 96 | Very high | 134 Ų | 134 | 38.9 Ų | 38.9 | 51% | 0.506 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -117.5 | 114.5 | -177.9 | -67.9 | -159.2 | 177.6 | -124 | -0.1 | 112.6 | A61 G66 S67 Q70 Y220 | A61-R64 HydrophobicContact CB-CB 3.88Å; A61-R64 HydrophobicContact CB-CG 3.99Å; R64-G66 PolarHBondContact O-N 2.94Å; R64-S67 VanDerWaalsContact O-CB 3.27Å; R64-S67 WeakPolarHBondContact O-CB 3.29Å; R64-S67 PolarHBondContact O-N 2.97Å; R64-S67 PolarHBondContact O-OG 2.67Å; R64-S67 VanDerWaalsContact O-OG 3.1Å; R64-Q70 PolarHBondContact O-OE1 2.98Å; R64-Y220 HydrophobicContact CB-CE2 4.2Å |
| 65 | D | 94.3 | Very high | 96.1 | Very high | 63 Ų | 63 | 37.8 Ų | 37.8 | 34% | 0.337 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 129.4 | 178.2 | -170.1 | 26.5 | 0 | 0 | 0 | 111.6 | Q70 Y216 K299 | D65-Q70 VanDerWaalsContact N-OE1 3.13Å; D65-Y216 PolarHBondContact OD1-OH 2.7Å; D65-Y216 WeakPolarHBondContact OD2-CE2 3.23Å; D65-K299 IonicContact OD2-NZ 3.24Å; D65-K299 PolarHBondContact OD2-NZ 2.96Å |
| 66 | G | 93.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R64 S168 | R64-G66 PolarHBondContact O-N 2.94Å; G66-S168 VanDerWaalsContact O-CB 3.23Å; G66-S168 WeakPolarHBondContact O-CB 3.23Å; G66-S168 PolarHBondContact O-OG 3.24Å |
| 67 | S | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -65.2 | 152.7 | 173 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | W58 A61 R64 Q70 Y71 | W58-S67 CarbonylContact O-C 3.55Å; W58-S67 VanDerWaalsContact O-CA 3.23Å; W58-S67 WeakPolarHBondContact O-CA 3.34Å; W58-S67 VanDerWaalsContact O-CB 3.31Å; W58-S67 WeakPolarHBondContact O-CB 3.44Å; A61-S67 VanDerWaalsContact O-CB 3.23Å; A61-S67 WeakPolarHBondContact O-CB 3.36Å; A61-S67 PolarHBondContact O-OG 2.84Å; R64-S67 VanDerWaalsContact O-CB 3.27Å; R64-S67 WeakPolarHBondContact O-CB 3.29Å; R64-S67 PolarHBondContact O-N 2.97Å; R64-S67 PolarHBondContact O-OG 2.67Å; R64-S67 VanDerWaalsContact O-OG 3.1Å; S67-Q70 WeakPolarHBondContact OG-CB 3.25Å; S67-Q70 PolarHBondContact OG-N 3.01Å; S67-Y71 WeakPolarHBondContact O-CB 3.26Å; S67-Y71 PolarHBondContact O-N 2.93Å | ||
| 68 | I | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.5 | -45.9 | -176 | -54.3 | -58 | 0 | 0 | 0 | 111.2 | W58 F59 Q70 Y71 F72 P82 L171 T172 I175 | W58-I68 HydrophobicContact CZ2-CD1 4.27Å; W58-I68 PolarHBondContact O-N 2.96Å; F59-I68 HydrophobicContact CD2-CB 4.15Å; F59-I68 HydrophobicContact CD2-CG1 4.07Å; F59-I68 HydrophobicContact CD2-CG2 4.23Å; F59-I68 HydrophobicContact CE2-CB 4.39Å; F59-I68 HydrophobicContact CE2-CG1 4.5Å; F59-I68 HydrophobicContact CE2-CG2 3.96Å; F59-I68 HydrophobicContact CG-CB 4.32Å; F59-I68 HydrophobicContact CZ-CG2 4.12Å; I68-Q70 VanDerWaalsContact C-N 3.33Å; I68-Q70 PolarHBondContact O-N 2.82Å; I68-Y71 PolarHBondContact O-N 2.54Å; I68-F72 HydrophobicContact CG2-CD2 3.85Å; I68-F72 HydrophobicContact CG2-CE2 4Å; I68-F72 WeakPolarHBondContact O-CD2 3.46Å; I68-F72 PolarHBondContact O-N 3.19Å; I68-F72 VanDerWaalsContact O-N 3.15Å; I68-P82 HydrophobicContact CG2-CG 4.27Å; I68-L171 HydrophobicContact CD1-CB 3.95Å; I68-L171 HydrophobicContact CD1-CD2 3.74Å; I68-L171 HydrophobicContact CD1-CG 3.91Å; I68-L171 HydrophobicContact CG1-CD2 3.72Å; I68-L171 HydrophobicContact CG1-CG 4.3Å; I68-T172 HydrophobicContact CD1-CG2 3.86Å; I68-I175 HydrophobicContact CG2-CD1 3.61Å |
| 69 | A | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.9 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F59 E62 R73 Q81 | F59-A69 WeakPolarHBondContact O-CB 3.18Å; F59-A69 PolarHBondContact O-N 3.43Å; E62-A69 HydrophobicContact CG-CB 4.46Å; A69-R73 VanDerWaalsContact O-CB 3.32Å; A69-R73 WeakPolarHBondContact O-CB 3.39Å; A69-R73 PolarHBondContact O-N 2.86Å; A69-R73 VanDerWaalsContact O-N 3.13Å; A69-Q81 VanDerWaalsContact CB-NE2 3.33Å; A69-Q81 PolarHBondContact O-NE2 3.35Å; A69-Q81 VanDerWaalsContact O-NE2 3.14Å |
| 70 | Q | 96.8 | Very high | 95.9 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.4 | -46.6 | 179.1 | -167.5 | -179.3 | 11.5 | 0 | 0 | 111.9 | R64 D65 S67 I68 F72 R73 D74 Y297 | R64-Q70 PolarHBondContact O-OE1 2.98Å; D65-Q70 VanDerWaalsContact N-OE1 3.13Å; S67-Q70 WeakPolarHBondContact OG-CB 3.25Å; S67-Q70 PolarHBondContact OG-N 3.01Å; I68-Q70 VanDerWaalsContact C-N 3.33Å; I68-Q70 PolarHBondContact O-N 2.82Å; Q70-F72 VanDerWaalsContact C-N 3.34Å; Q70-F72 PolarHBondContact O-N 3.24Å; Q70-R73 PolarHBondContact O-N 2.88Å; Q70-D74 VanDerWaalsContact O-CB 3.29Å; Q70-D74 WeakPolarHBondContact O-CB 3.39Å; Q70-D74 VanDerWaalsContact O-CG 3.23Å; Q70-D74 PolarHBondContact O-N 2.97Å; Q70-Y297 WeakPolarHBondContact CG-OH 3.48Å; Q70-Y297 PolarHBondContact O-OH 2.83Å |
| 71 | Y | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -51.7 | -53.9 | 179.5 | 177.8 | -84.7 | 0 | 0 | 0 | 111.4 | S67 I68 D74 V75 T172 L207 P225 Y297 | S67-Y71 WeakPolarHBondContact O-CB 3.26Å; S67-Y71 PolarHBondContact O-N 2.93Å; I68-Y71 PolarHBondContact O-N 2.54Å; Y71-D74 PolarHBondContact O-N 3.21Å; Y71-V75 HydrophobicContact CD1-CG2 4.35Å; Y71-V75 HydrophobicContact CD2-CG2 4.43Å; Y71-V75 HydrophobicContact CE1-CB 4.39Å; Y71-V75 HydrophobicContact CE1-CG2 3.97Å; Y71-V75 HydrophobicContact CE2-CG2 4.05Å; Y71-V75 WeakPolarHBondContact O-CB 3.4Å; Y71-V75 WeakPolarHBondContact O-CG2 3.27Å; Y71-V75 PolarHBondContact O-N 3.19Å; Y71-T172 HydrophobicContact CD1-CG2 3.41Å; Y71-T172 VanDerWaalsContact CD1-CG2 3.41Å; Y71-T172 HydrophobicContact CD2-CG2 4.25Å; Y71-T172 HydrophobicContact CE1-CG2 3.88Å; Y71-T172 HydrophobicContact CG-CG2 3.65Å; Y71-L207 HydrophobicContact CE1-CD2 4.12Å; Y71-L207 WeakPolarHBondContact OH-CD2 3.45Å; Y71-P225 PolarHBondContact OH-O 2.88Å; Y71-Y297 WeakPolarHBondContact CA-OH 3.41Å; Y71-Y297 AromaticContact CD2-CD1 3.35Å; Y71-Y297 HydrophobicContact CD2-CD1 3.35Å; Y71-Y297 AromaticContact CD2-CE1 3.5Å; Y71-Y297 HydrophobicContact CD2-CE1 3.5Å; Y71-Y297 VanDerWaalsContact CD2-CE1 3.5Å; Y71-Y297 HydrophobicContact CD2-CG 4.06Å; Y71-Y297 AromaticContact CE2-CD1 3.76Å; Y71-Y297 HydrophobicContact CE2-CD1 3.76Å; Y71-Y297 HydrophobicContact CE2-CE1 4.36Å; Y71-Y297 HydrophobicContact CE2-CG 4.14Å; Y71-Y297 HydrophobicContact CG-CD1 4.38Å; Y71-Y297 HydrophobicContact CG-CE1 4.17Å; Y71-Y297 PolarHBondContact N-OH 3.12Å |
| 72 | F | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.2 | -39.4 | -175.7 | -85.4 | -65.1 | 0 | 0 | 0 | 112.9 | I68 Q70 D74 S76 Y80 P82 T172 I175 F179 W237 | I68-F72 HydrophobicContact CG2-CD2 3.85Å; I68-F72 HydrophobicContact CG2-CE2 4Å; I68-F72 WeakPolarHBondContact O-CD2 3.46Å; I68-F72 PolarHBondContact O-N 3.19Å; I68-F72 VanDerWaalsContact O-N 3.15Å; Q70-F72 VanDerWaalsContact C-N 3.34Å; Q70-F72 PolarHBondContact O-N 3.24Å; F72-D74 VanDerWaalsContact C-N 3.27Å; F72-D74 PolarHBondContact O-N 2.88Å; F72-S76 WeakPolarHBondContact O-CB 3.39Å; F72-S76 PolarHBondContact O-N 3.45Å; F72-S76 PolarHBondContact O-OG 3.09Å; F72-Y80 CarbonylContact C-O 3.52Å; F72-Y80 HydrophobicContact CB-CD1 3.81Å; F72-Y80 HydrophobicContact CB-CE1 4.23Å; F72-Y80 AromaticContact CD1-CD1 3.74Å; F72-Y80 HydrophobicContact CD1-CD1 3.74Å; F72-Y80 AromaticContact CD1-CE1 4Å; F72-Y80 HydrophobicContact CD1-CE1 4Å; F72-Y80 HydrophobicContact CD2-CE1 4.37Å; F72-Y80 HydrophobicContact CE1-CE1 4.5Å; F72-Y80 AromaticContact CG-CD1 3.83Å; F72-Y80 HydrophobicContact CG-CD1 3.83Å; F72-Y80 AromaticContact CG-CE1 3.92Å; F72-Y80 HydrophobicContact CG-CE1 3.92Å; F72-P82 HydrophobicContact CB-CG 3.8Å; F72-P82 HydrophobicContact CD2-CG 3.64Å; F72-P82 HydrophobicContact CG-CG 3.97Å; F72-T172 HydrophobicContact CD2-CG2 4.36Å; F72-T172 HydrophobicContact CE2-CG2 3.78Å; F72-T172 HydrophobicContact CZ-CG2 4.28Å; F72-I175 HydrophobicContact CD2-CG2 4.45Å; F72-I175 HydrophobicContact CE1-CG2 4.17Å; F72-I175 HydrophobicContact CE2-CB 3.8Å; F72-I175 HydrophobicContact CE2-CD1 3.82Å; F72-I175 HydrophobicContact CE2-CG1 4.41Å; F72-I175 HydrophobicContact CE2-CG2 3.53Å; F72-I175 HydrophobicContact CZ-CB 3.68Å; F72-I175 HydrophobicContact CZ-CG2 3.36Å; F72-F179 AromaticContact CE1-CE2 3.89Å; F72-F179 HydrophobicContact CE1-CE2 3.89Å; F72-F179 HydrophobicContact CE1-CZ 4.38Å; F72-F179 HydrophobicContact CZ-CE2 4.46Å; F72-W237 AromaticContact CD1-CH2 3.69Å; F72-W237 HydrophobicContact CD1-CH2 3.69Å; F72-W237 HydrophobicContact CD1-CZ3 4.24Å; F72-W237 AromaticContact CE1-CH2 3.98Å; F72-W237 HydrophobicContact CE1-CH2 3.98Å |
| 73 | R | 95.8 | Very high | 95.7 | Very high | 63 Ų | 63 | 32.9 Ų | 32.9 | 24% | 0.238 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.3 | -46.6 | 173.5 | -173.2 | -171.9 | 65.2 | -155.7 | -2.2 | 110.9 | E62 A69 Q70 S76 N77 G78 Y80 | E62-R73 PolarHBondContact O-NH1 3.13Å; E62-R73 PolarHBondContact O-NH2 2.73Å; E62-R73 IonicContact OE2-NH1 3.23Å; E62-R73 PolarHBondContact OE2-NH1 3.21Å; A69-R73 VanDerWaalsContact O-CB 3.32Å; A69-R73 WeakPolarHBondContact O-CB 3.39Å; A69-R73 PolarHBondContact O-N 2.86Å; A69-R73 VanDerWaalsContact O-N 3.13Å; Q70-R73 PolarHBondContact O-N 2.88Å; R73-S76 PolarHBondContact O-OG 3.41Å; R73-N77 CarbonylContact O-C 3.59Å; R73-N77 PolarHBondContact O-N 2.65Å; R73-N77 VanDerWaalsContact O-N 3.17Å; R73-G78 PolarHBondContact O-N 2.99Å; R73-Y80 PolarHBondContact N-O 3.39Å |
| 74 | D | 96.9 | Very high | 95.9 | Very high | 21 Ų | 21 | 27 Ų | 27 | 11% | 0.112 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -77.7 | -41.5 | -171.2 | -71.3 | -0.3 | 0 | 0 | 0 | 112.3 | Q70 Y71 F72 N77 R296 Y297 | Q70-D74 VanDerWaalsContact O-CB 3.29Å; Q70-D74 WeakPolarHBondContact O-CB 3.39Å; Q70-D74 VanDerWaalsContact O-CG 3.23Å; Q70-D74 PolarHBondContact O-N 2.97Å; Y71-D74 PolarHBondContact O-N 3.21Å; F72-D74 VanDerWaalsContact C-N 3.27Å; F72-D74 PolarHBondContact O-N 2.88Å; D74-N77 PolarHBondContact O-N 3.07Å; D74-R296 IonicContact OD1-NH2 2.64Å; D74-R296 PolarHBondContact OD1-NH2 3.45Å; D74-R296 IonicContact OD2-CZ 3.25Å; D74-R296 IonicContact OD2-NH2 3.47Å; D74-R296 PolarHBondContact OD2-NH2 2.97Å; D74-Y297 HydrophobicContact CB-CD2 4.27Å; D74-Y297 HydrophobicContact CB-CE2 3.4Å; D74-Y297 PolarHBondContact OD2-OH 2.97Å |
| 75 | V | 97.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 22.9 Ų | 22.9 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.4 | -36.7 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | Y71 N77 L227 L232 W237 Y297 | Y71-V75 HydrophobicContact CD1-CG2 4.35Å; Y71-V75 HydrophobicContact CD2-CG2 4.43Å; Y71-V75 HydrophobicContact CE1-CB 4.39Å; Y71-V75 HydrophobicContact CE1-CG2 3.97Å; Y71-V75 HydrophobicContact CE2-CG2 4.05Å; Y71-V75 WeakPolarHBondContact O-CB 3.4Å; Y71-V75 WeakPolarHBondContact O-CG2 3.27Å; Y71-V75 PolarHBondContact O-N 3.19Å; V75-N77 VanDerWaalsContact C-N 3.27Å; V75-N77 PolarHBondContact O-N 2.88Å; V75-L227 HydrophobicContact CG1-CG 4.49Å; V75-L232 HydrophobicContact CG1-CD2 3.95Å; V75-W237 HydrophobicContact CG1-CE3 4.22Å; V75-W237 HydrophobicContact CG1-CZ3 4.12Å; V75-Y297 HydrophobicContact CG2-CD2 4.03Å; V75-Y297 HydrophobicContact CG2-CG 4.24Å |
| 76 | S | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -1.6 | 176.9 | 73.3 | 0 | 0 | 0 | 0 | 114 | F72 R73 G78 M79 Y80 W237 | F72-S76 WeakPolarHBondContact O-CB 3.39Å; F72-S76 PolarHBondContact O-N 3.45Å; F72-S76 PolarHBondContact O-OG 3.09Å; R73-S76 PolarHBondContact O-OG 3.41Å; S76-G78 PolarHBondContact O-N 3.02Å; S76-M79 WeakPolarHBondContact O-CB 3.23Å; S76-M79 WeakPolarHBondContact O-CG 3.31Å; S76-M79 PolarHBondContact O-N 2.71Å; S76-M79 PolarHBondContact OG-N 2.72Å; S76-Y80 PolarHBondContact OG-N 3.39Å; S76-Y80 PolarHBondContact OG-O 2.84Å; S76-W237 VanDerWaalsContact CB-CE2 3.43Å |
| 77 | N | 95.9 | Very high | 95.8 | Very high | 32 Ų | 32 | 22.6 Ų | 22.6 | 17% | 0.171 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 40 | -171.9 | -73.7 | -97.1 | 0 | 0 | 0 | 113.3 | R73 D74 V75 M79 P264 H265 | R73-N77 CarbonylContact O-C 3.59Å; R73-N77 PolarHBondContact O-N 2.65Å; R73-N77 VanDerWaalsContact O-N 3.17Å; D74-N77 PolarHBondContact O-N 3.07Å; V75-N77 VanDerWaalsContact C-N 3.27Å; V75-N77 PolarHBondContact O-N 2.88Å; N77-M79 VanDerWaalsContact C-N 3.35Å; N77-M79 VanDerWaalsContact O-CE 3.31Å; N77-M79 WeakPolarHBondContact O-CE 3.48Å; N77-P264 WeakPolarHBondContact OD1-CA 3.41Å; N77-H265 PolarHBondContact ND2-CE1 3.4Å; N77-H265 PolarHBondContact ND2-ND1 2.88Å; N77-H265 PolarHBondContact ND2-NE2 3.02Å; N77-H265 VanDerWaalsContact ND2-NE2 3.14Å; N77-H265 PolarHBondContact OD1-N 2.77Å |
| 78 | G | 94.3 | Very high | 95.5 | Very high | 47 Ų | 47 | 23.6 Ų | 23.6 | 49% | 0.485 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 3.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R73 S76 | R73-G78 PolarHBondContact O-N 2.99Å; S76-G78 PolarHBondContact O-N 3.02Å |
| 79 | M | 94.5 | Very high | 94.5 | Very high | 22 Ų | 22 | 25.2 Ų | 25.2 | 11% | 0.108 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -73.7 | -31.6 | -179.6 | -62 | -54.5 | 109.4 | 0 | 0 | 112.2 | R30 K31 S76 N77 Y477 | R30-M79 CarbonylContact C-O 3.59Å; R30-M79 WeakPolarHBondContact CA-O 3.45Å; R30-M79 HydrophobicContact CG-CB 4.25Å; R30-M79 HydrophobicContact CG-SD 4.06Å; R30-M79 PolarHBondContact NE-SD 2.64Å; R30-M79 VanDerWaalsContact NE-SD 3.4Å; K31-M79 PolarHBondContact N-O 2.89Å; S76-M79 WeakPolarHBondContact O-CB 3.23Å; S76-M79 WeakPolarHBondContact O-CG 3.31Å; S76-M79 PolarHBondContact O-N 2.71Å; S76-M79 PolarHBondContact OG-N 2.72Å; N77-M79 VanDerWaalsContact C-N 3.35Å; N77-M79 VanDerWaalsContact O-CE 3.31Å; N77-M79 WeakPolarHBondContact O-CE 3.48Å; M79-Y477 HydrophobicContact CE-CD2 4.12Å; M79-Y477 HydrophobicContact CE-CE2 4.41Å; M79-Y477 HydrophobicContact CE-CG 4.23Å; M79-Y477 HydrophobicContact CG-CD1 3.85Å; M79-Y477 HydrophobicContact CG-CE1 4.38Å; M79-Y477 HydrophobicContact CG-CG 4.12Å; M79-Y477 VanDerWaalsContact SD-CB 3.59Å; M79-Y477 HydrophobicContact SD-CD1 4.08Å; M79-Y477 HydrophobicContact SD-CD2 4.15Å; M79-Y477 HydrophobicContact SD-CG 3.7Å |
| 80 | Y | 95 | Very high | 94 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.6 | -177.9 | -179.5 | -107.8 | 0 | 0 | 0 | 112.2 | K31 E33 W35 F72 R73 S76 P82 I175 F179 W237 | K31-Y80 HydrophobicContact CG-CD2 4.1Å; K31-Y80 HydrophobicContact CG-CE2 4.24Å; K31-Y80 WeakPolarHBondContact O-CA 3.38Å; E33-Y80 HydrophobicContact CB-CE2 3.68Å; E33-Y80 WeakPolarHBondContact OE2-CE2 3.19Å; E33-Y80 PolarHBondContact OE2-OH 3.43Å; W35-Y80 PolarHBondContact NE1-OH 2.8Å; F72-Y80 CarbonylContact C-O 3.52Å; F72-Y80 HydrophobicContact CB-CD1 3.81Å; F72-Y80 HydrophobicContact CB-CE1 4.23Å; F72-Y80 AromaticContact CD1-CD1 3.74Å; F72-Y80 HydrophobicContact CD1-CD1 3.74Å; F72-Y80 AromaticContact CD1-CE1 4Å; F72-Y80 HydrophobicContact CD1-CE1 4Å; F72-Y80 HydrophobicContact CD2-CE1 4.37Å; F72-Y80 HydrophobicContact CE1-CE1 4.5Å; F72-Y80 AromaticContact CG-CD1 3.83Å; F72-Y80 HydrophobicContact CG-CD1 3.83Å; F72-Y80 AromaticContact CG-CE1 3.92Å; F72-Y80 HydrophobicContact CG-CE1 3.92Å; R73-Y80 PolarHBondContact N-O 3.39Å; S76-Y80 PolarHBondContact OG-N 3.39Å; S76-Y80 PolarHBondContact OG-O 2.84Å; Y80-P82 HydrophobicContact CD1-CG 4.33Å; Y80-P82 HydrophobicContact CE1-CB 3.84Å; Y80-P82 VanDerWaalsContact CE1-CD 3.49Å; Y80-P82 HydrophobicContact CE1-CG 3.68Å; Y80-I175 HydrophobicContact CE1-CG2 4.47Å; Y80-F179 AromaticContact CD1-CZ 3.98Å; Y80-F179 HydrophobicContact CD1-CZ 3.98Å; Y80-F179 HydrophobicContact CE1-CE1 4.19Å; Y80-F179 HydrophobicContact CE1-CE2 4.42Å; Y80-F179 AromaticContact CE1-CZ 3.48Å; Y80-F179 HydrophobicContact CE1-CZ 3.48Å; Y80-F179 VanDerWaalsContact CE1-CZ 3.48Å; Y80-F179 HydrophobicContact CE2-CE1 4Å; Y80-F179 HydrophobicContact CE2-CZ 4.1Å; Y80-F179 AromaticContact CZ-CE1 3.77Å; Y80-F179 AromaticContact CZ-CZ 3.54Å; Y80-W237 HydrophobicContact CD1-CH2 4.31Å; Y80-W237 HydrophobicContact CD1-CZ2 4.08Å; Y80-W237 AromaticContact CG-CZ2 3.96Å; Y80-W237 HydrophobicContact CG-CZ2 3.96Å |
| 81 | Q | 93.6 | Very high | 93.6 | Very high | 32 Ų | 32 | 27.1 Ų | 27.1 | 15% | 0.15 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 94.7 | -180 | -173.3 | 62.8 | 66 | 0 | 0 | 110.6 | K31 S32 E33 A69 | K31-Q81 PolarHBondContact O-N 2.73Å; S32-Q81 CarbonylContact C-O 2.87Å; S32-Q81 VanDerWaalsContact CA-O 3.22Å; S32-Q81 WeakPolarHBondContact CA-O 3.44Å; E33-Q81 PolarHBondContact N-O 2.93Å; A69-Q81 VanDerWaalsContact CB-NE2 3.33Å; A69-Q81 PolarHBondContact O-NE2 3.35Å; A69-Q81 VanDerWaalsContact O-NE2 3.14Å |
| 82 | P | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 147 | 170 | 31.5 | -30.3 | 0 | 0 | 0 | 109.8 | E33 F59 I68 F72 Y80 | E33-P82 WeakPolarHBondContact O-CA 3.25Å; F59-P82 HydrophobicContact CE1-CB 4.04Å; F59-P82 HydrophobicContact CZ-CB 4.21Å; I68-P82 HydrophobicContact CG2-CG 4.27Å; F72-P82 HydrophobicContact CB-CG 3.8Å; F72-P82 HydrophobicContact CD2-CG 3.64Å; F72-P82 HydrophobicContact CG-CG 3.97Å; Y80-P82 HydrophobicContact CD1-CG 4.33Å; Y80-P82 HydrophobicContact CE1-CB 3.84Å; Y80-P82 VanDerWaalsContact CE1-CD 3.49Å; Y80-P82 HydrophobicContact CE1-CG 3.68Å |
| 83 | Y | 95.9 | Very high | 92.8 | Very high | 98 Ų | 98 | 33.8 Ų | 33.8 | 38% | 0.384 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148.1 | 170.3 | 64.6 | -82.2 | 0 | 0 | 0 | 110.7 | E33 P34 W35 F59 N60 A85 | E33-Y83 WeakPolarHBondContact O-CD1 3.16Å; E33-Y83 PolarHBondContact O-N 3.16Å; P34-Y83 CarbonylContact C-O 3.59Å; P34-Y83 WeakPolarHBondContact CA-O 3.48Å; P34-Y83 HydrophobicContact CB-CE1 4.22Å; P34-Y83 HydrophobicContact CB-CE2 3.89Å; W35-Y83 PolarHBondContact N-O 2.92Å; F59-Y83 VanDerWaalsContact CE1-C 3.43Å; N60-Y83 WeakPolarHBondContact OD1-CA 3.15Å; Y83-A85 HydrophobicContact CD2-CB 4.5Å; Y83-A85 HydrophobicContact CE2-CB 4.12Å; Y83-A85 PolarHBondContact O-N 3.46Å |
| 84 | A | 95.5 | Very high | 92.6 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 105.2 | 173 | 0 | 0 | 0 | 0 | 0 | 108.7 | W35 I37 F59 N60 A86 V87 | W35-A84 CarbonylContact O-C 3.37Å; W35-A84 WeakPolarHBondContact O-CA 3.4Å; I37-A84 HydrophobicContact CD1-CB 4.27Å; I37-A84 HydrophobicContact CG1-CB 3.45Å; I37-A84 VanDerWaalsContact CG1-CB 3.45Å; F59-A84 HydrophobicContact CB-CB 4.14Å; F59-A84 HydrophobicContact CD1-CB 3.73Å; F59-A84 VanDerWaalsContact CD1-N 3.28Å; F59-A84 HydrophobicContact CE1-CB 4.39Å; F59-A84 HydrophobicContact CG-CB 4.04Å; N60-A84 PolarHBondContact ND2-O 3Å; N60-A84 PolarHBondContact OD1-N 3.22Å; A84-A86 PolarHBondContact O-N 2.82Å; A84-V87 HydrophobicContact CB-CG2 4.26Å |
| 85 | A | 93.9 | Very high | 92.3 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 38% | 0.38 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | -27.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | P34 W35 Y83 P137 | P34-A85 HydrophobicContact CB-CB 3.81Å; W35-A85 PolarHBondContact O-N 2.96Å; Y83-A85 HydrophobicContact CD2-CB 4.5Å; Y83-A85 HydrophobicContact CE2-CB 4.12Å; Y83-A85 PolarHBondContact O-N 3.46Å; A85-P137 HydrophobicContact CB-CB 4.08Å |
| 86 | A | 92.5 | Very high | 92.1 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 19% | 0.19 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 150.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | I37 A84 L88 P137 | I37-A86 PolarHBondContact N-O 3.2Å; A84-A86 PolarHBondContact O-N 2.82Å; A86-L88 HydrophobicContact CB-CD2 4.07Å; A86-L88 HydrophobicContact CB-CG 4.32Å; A86-P137 HydrophobicContact CB-CG 3.74Å |
| 87 | V | 93.9 | Very high | 91.7 | Very high | 34 Ų | 34 | 39 Ų | 39 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 104.8 | 164.3 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | I37 L39 A52 F55 D56 A84 | I37-V87 HydrophobicContact CB-CB 4.37Å; I37-V87 HydrophobicContact CB-CG1 4.25Å; I37-V87 HydrophobicContact CB-CG2 4.03Å; I37-V87 HydrophobicContact CG1-CG2 4.28Å; I37-V87 HydrophobicContact CG2-CG1 4.1Å; I37-V87 CarbonylContact O-C 3.59Å; I37-V87 WeakPolarHBondContact O-CA 3.43Å; L39-V87 HydrophobicContact CD1-CG1 3.94Å; L39-V87 HydrophobicContact CG-CG1 4.23Å; A52-V87 HydrophobicContact CB-CG1 4.1Å; F55-V87 HydrophobicContact CB-CG1 4.28Å; D56-V87 HydrophobicContact CB-CG2 3.79Å; A84-V87 HydrophobicContact CB-CG2 4.26Å |
| 88 | L | 91.6 | Very high | 91.5 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 107.9 | -179.1 | -58.6 | -177.4 | 0 | 0 | 0 | 108.2 | T36 I37 L38 L39 A86 L136 | T36-L88 HydrophobicContact CG2-CD1 3.81Å; T36-L88 HydrophobicContact CG2-CG 4.22Å; I37-L88 PolarHBondContact O-N 3.14Å; L38-L88 HydrophobicContact CD1-CB 3.89Å; L38-L88 HydrophobicContact CD1-CD1 4.28Å; L39-L88 WeakPolarHBondContact CB-O 3.48Å; L39-L88 PolarHBondContact N-O 3.41Å; A86-L88 HydrophobicContact CB-CD2 4.07Å; A86-L88 HydrophobicContact CB-CG 4.32Å; L88-L136 HydrophobicContact CD1-CD2 3.96Å |
| 89 | G | 76.8 | Confident | 91.5 | Very high | 33 Ų | 33 | 42 Ų | 42 | 34% | 0.34 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 173.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L39 F91 | L39-G89 CarbonylContact O-C 3.41Å; L39-G89 VanDerWaalsContact O-O 3.09Å; G89-F91 WeakPolarHBondContact O-CD1 3.44Å; G89-F91 PolarHBondContact O-N 3.01Å |
| 90 | W | 88.1 | Confident | 91.4 | Very high | 62 Ų | 62 | 41 Ų | 41 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 103.6 | -170.9 | -67.9 | 111.3 | 0 | 0 | 0 | 113.3 | L39 C40 N41 S48 Q50 F55 F144 | L39-W90 HydrophobicContact CB-CD2 3.55Å; L39-W90 HydrophobicContact CB-CE3 3.71Å; L39-W90 HydrophobicContact CB-CG 3.96Å; L39-W90 HydrophobicContact CB-CH2 4.43Å; L39-W90 HydrophobicContact CB-CZ2 4.29Å; L39-W90 HydrophobicContact CB-CZ3 4.14Å; L39-W90 HydrophobicContact CD1-CD2 4.44Å; L39-W90 HydrophobicContact CD1-CG 4.49Å; L39-W90 HydrophobicContact CD2-CZ2 4.46Å; L39-W90 VanDerWaalsContact O-CA 3.29Å; L39-W90 WeakPolarHBondContact O-CA 3.33Å; C40-W90 WeakPolarHBondContact O-CZ3 3.48Å; N41-W90 HydrophobicContact CB-CE3 4.32Å; N41-W90 VanDerWaalsContact CG-CE3 3.48Å; N41-W90 WeakPolarHBondContact OD1-CZ3 3.28Å; S48-W90 VanDerWaalsContact OG-CD2 3.31Å; Q50-W90 PolarHBondContact O-NE1 3.25Å; F55-W90 AromaticContact CE2-CZ2 3.59Å; F55-W90 HydrophobicContact CE2-CZ2 3.59Å; F55-W90 HydrophobicContact CZ-CH2 4.43Å; F55-W90 AromaticContact CZ-CZ2 3.83Å; F55-W90 HydrophobicContact CZ-CZ2 3.83Å; W90-F144 HydrophobicContact CH2-CB 4.32Å |
| 91 | F | 87.3 | Confident | 91.3 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 150.9 | 167.8 | 55.6 | -93.5 | 0 | 0 | 0 | 111.3 | L38 L39 C40 N41 G89 I93 C125 Y128 A129 | L38-F91 HydrophobicContact CD1-CE1 3.36Å; L38-F91 HydrophobicContact CD1-CZ 3.55Å; L38-F91 HydrophobicContact CD2-CZ 4.05Å; L38-F91 HydrophobicContact CG-CE1 3.95Å; L38-F91 HydrophobicContact CG-CZ 3.75Å; L39-F91 WeakPolarHBondContact O-CD1 3.47Å; L39-F91 WeakPolarHBondContact O-CE1 3.06Å; L39-F91 PolarHBondContact O-N 3.15Å; C40-F91 HydrophobicContact CB-CD2 4.48Å; C40-F91 HydrophobicContact CB-CE2 3.76Å; C40-F91 HydrophobicContact CB-CZ 3.76Å; C40-F91 WeakPolarHBondContact SG-CE2 3.15Å; N41-F91 PolarHBondContact N-O 3.44Å; G89-F91 WeakPolarHBondContact O-CD1 3.44Å; G89-F91 PolarHBondContact O-N 3.01Å; F91-I93 HydrophobicContact CD2-CG2 4.19Å; F91-I93 HydrophobicContact CE2-CG2 4.03Å; F91-C125 HydrophobicContact CE2-CB 4.4Å; F91-C125 HydrophobicContact CZ-CB 4.45Å; F91-Y128 HydrophobicContact CB-CD1 4.24Å; F91-Y128 HydrophobicContact CB-CE1 3.77Å; F91-Y128 AromaticContact CD2-CD1 3.18Å; F91-Y128 HydrophobicContact CD2-CD1 3.18Å; F91-Y128 AromaticContact CD2-CE1 3.59Å; F91-Y128 HydrophobicContact CD2-CE1 3.59Å; F91-Y128 AromaticContact CD2-CG 4Å; F91-Y128 HydrophobicContact CD2-CG 4Å; F91-Y128 AromaticContact CE2-CD1 3.62Å; F91-Y128 HydrophobicContact CE2-CD1 3.62Å; F91-Y128 HydrophobicContact CE2-CE1 4.45Å; F91-Y128 HydrophobicContact CE2-CG 4.17Å; F91-Y128 AromaticContact CG-CD1 3.76Å; F91-Y128 HydrophobicContact CG-CD1 3.76Å; F91-Y128 AromaticContact CG-CE1 3.82Å; F91-Y128 HydrophobicContact CG-CE1 3.82Å; F91-A129 HydrophobicContact CE1-CB 4.11Å; F91-A129 HydrophobicContact CZ-CB 3.89Å |
| 92 | R | 88.5 | Confident | 91.4 | Very high | 135 Ų | 135 | 51.7 Ų | 51.7 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.6 | 178.6 | -68.8 | -179.3 | 176.3 | 167 | -3.8 | 110.8 | N41 Q94 | N41-R92 HydrophobicContact CB-CG 4.49Å; N41-R92 CarbonylContact O-C 3.56Å; N41-R92 VanDerWaalsContact O-CA 3.25Å; N41-R92 WeakPolarHBondContact O-CA 3.15Å; R92-Q94 PolarHBondContact O-NE2 3.17Å |
| 93 | I | 89.9 | Confident | 91.4 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 142.3 | 168.2 | 59.7 | 174.6 | 0 | 0 | 0 | 109.2 | C40 N41 F42 K43 F91 V95 L124 Y128 | C40-I93 VanDerWaalsContact SG-CG2 3.56Å; N41-I93 WeakPolarHBondContact O-CG1 3.49Å; N41-I93 PolarHBondContact O-N 3.01Å; F42-I93 HydrophobicContact CD1-CD1 3.97Å; F42-I93 HydrophobicContact CD1-CG1 4.31Å; F42-I93 HydrophobicContact CE1-CD1 4.06Å; K43-I93 WeakPolarHBondContact CB-O 3.22Å; K43-I93 PolarHBondContact N-O 2.82Å; F91-I93 HydrophobicContact CD2-CG2 4.19Å; F91-I93 HydrophobicContact CE2-CG2 4.03Å; I93-V95 HydrophobicContact CB-CG2 4.28Å; I93-V95 HydrophobicContact CD1-CG2 3.49Å; I93-V95 VanDerWaalsContact CD1-CG2 3.49Å; I93-V95 HydrophobicContact CG1-CG2 3.75Å; I93-V95 PolarHBondContact O-N 3.37Å; I93-L124 HydrophobicContact CD1-CB 4.26Å; I93-Y128 HydrophobicContact CG2-CD2 4.32Å; I93-Y128 HydrophobicContact CG2-CG 4.08Å |
| 94 | Q | 91.3 | Very high | 91.2 | Very high | 118 Ų | 118 | 50.2 Ų | 50.2 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -83 | 37.4 | -172 | -60.5 | -56.8 | -50.9 | 0 | 0 | 113 | R92 | R92-Q94 PolarHBondContact O-NE2 3.17Š|
| 95 | V | 91.6 | Very high | 91.1 | Very high | 24 Ų | 24 | 53.7 Ų | 53.7 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | trans | -135.2 | 157.8 | 177.8 | -63.4 | 0 | 0 | 0 | 0 | 109.8 | F42 K43 I93 D99 V100 M103 L124 | F42-V95 HydrophobicContact CD1-CG2 4.24Å; F42-V95 WeakPolarHBondContact CD1-O 3.17Å; F42-V95 HydrophobicContact CE1-CG2 4.46Å; K43-V95 WeakPolarHBondContact CB-O 3.3Å; K43-V95 PolarHBondContact N-O 2.98Å; I93-V95 HydrophobicContact CB-CG2 4.28Å; I93-V95 HydrophobicContact CD1-CG2 3.49Å; I93-V95 VanDerWaalsContact CD1-CG2 3.49Å; I93-V95 HydrophobicContact CG1-CG2 3.75Å; I93-V95 PolarHBondContact O-N 3.37Å; V95-D99 HydrophobicContact CB-CB 4.1Å; V95-D99 HydrophobicContact CG1-CB 4.5Å; V95-V100 HydrophobicContact CG2-CG2 3.99Å; V95-M103 HydrophobicContact CG1-CE 4.01Å; V95-L124 HydrophobicContact CG2-CD1 3.98Å | ||
| 96 | T | 92 | Very high | 91 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | trans | -100.1 | 163.8 | 170.4 | 65 | 0 | 0 | 0 | 0 | 110.7 | D98 D99 V100 | T96-D98 PolarHBondContact O-N 3.06Å; T96-D99 WeakPolarHBondContact CB-OD2 3.38Å; T96-D99 PolarHBondContact N-OD2 2.94Å; T96-D99 WeakPolarHBondContact O-CB 3.19Å; T96-D99 PolarHBondContact O-N 3.05Å; T96-D99 VanDerWaalsContact O-N 3.15Å; T96-D99 PolarHBondContact OG1-N 3.14Å; T96-D99 VanDerWaalsContact OG1-N 3.17Å; T96-D99 PolarHBondContact OG1-OD1 3.3Å; T96-D99 PolarHBondContact OG1-OD2 3.27Å; T96-V100 PolarHBondContact O-N 3.06Å; T96-V100 VanDerWaalsContact O-N 3.16Å | ||
| 97 | P | 89.7 | Confident | 90.9 | Very high | 31 Ų | 31 | 66.1 Ų | 66.1 | 20% | 0.201 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.9 | -35.7 | 171.4 | -26.8 | 35.8 | 0 | 0 | 0 | 113.1 | F42 V100 R101 M117 | F42-P97 HydrophobicContact CB-CG 4.45Å; F42-P97 HydrophobicContact CD1-CG 4.12Å; F42-P97 HydrophobicContact CD2-CG 3.78Å; F42-P97 HydrophobicContact CE1-CG 4.28Å; F42-P97 HydrophobicContact CE2-CG 3.97Å; F42-P97 HydrophobicContact CG-CG 3.86Å; F42-P97 HydrophobicContact CZ-CB 4.49Å; F42-P97 HydrophobicContact CZ-CG 4.2Å; P97-V100 PolarHBondContact O-N 2.83Å; P97-R101 WeakPolarHBondContact O-CB 3.19Å; P97-R101 PolarHBondContact O-N 3.45Å; P97-M117 VanDerWaalsContact O-CE 3.3Å; P97-M117 WeakPolarHBondContact O-CE 3.45Å |
| 98 | D | 90.5 | Very high | 90.5 | Very high | 101 Ų | 101 | 67.4 Ų | 67.4 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.8 | -35.6 | 177.7 | -70.3 | -37.2 | 0 | 0 | 0 | 112.8 | T96 V100 R101 R102 | T96-D98 PolarHBondContact O-N 3.06Å; D98-V100 VanDerWaalsContact C-N 3.32Å; D98-R101 WeakPolarHBondContact O-CB 3.35Å; D98-R101 PolarHBondContact O-N 3.08Å; D98-R102 WeakPolarHBondContact O-CG 3Å; D98-R102 PolarHBondContact O-N 2.71Å |
| 99 | D | 94.3 | Very high | 89.8 | Confident | 42 Ų | 42 | 67 Ų | 67 | 23% | 0.225 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 172.4 | -57.6 | -38.3 | 0 | 0 | 0 | 110.3 | V95 T96 R102 M103 | V95-D99 HydrophobicContact CB-CB 4.1Å; V95-D99 HydrophobicContact CG1-CB 4.5Å; T96-D99 WeakPolarHBondContact CB-OD2 3.38Å; T96-D99 PolarHBondContact N-OD2 2.94Å; T96-D99 WeakPolarHBondContact O-CB 3.19Å; T96-D99 PolarHBondContact O-N 3.05Å; T96-D99 VanDerWaalsContact O-N 3.15Å; T96-D99 PolarHBondContact OG1-N 3.14Å; T96-D99 VanDerWaalsContact OG1-N 3.17Å; T96-D99 PolarHBondContact OG1-OD1 3.3Å; T96-D99 PolarHBondContact OG1-OD2 3.27Å; D99-R102 PolarHBondContact O-N 3.1Å; D99-R102 IonicContact OD1-CZ 3.42Å; D99-R102 IonicContact OD1-NH1 3.45Å; D99-R102 IonicContact OD1-NH2 2.68Å; D99-R102 PolarHBondContact OD1-NH2 2.76Å; D99-M103 HydrophobicContact CB-CE 4.4Å; D99-M103 WeakPolarHBondContact O-CG 3.46Å; D99-M103 PolarHBondContact O-N 3.42Å |
| 100 | V | 93 | Very high | 90 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | F42 V95 T96 P97 D98 R102 M103 V104 M117 K120 L124 | F42-V100 HydrophobicContact CE1-CG2 3.83Å; V95-V100 HydrophobicContact CG2-CG2 3.99Å; T96-V100 PolarHBondContact O-N 3.06Å; T96-V100 VanDerWaalsContact O-N 3.16Å; P97-V100 PolarHBondContact O-N 2.83Å; D98-V100 VanDerWaalsContact C-N 3.32Å; V100-R102 VanDerWaalsContact C-N 3.31Å; V100-R102 PolarHBondContact O-N 3.38Å; V100-M103 PolarHBondContact O-N 3.17Å; V100-V104 HydrophobicContact CG1-CG2 4.45Å; V100-V104 WeakPolarHBondContact O-CG2 3.43Å; V100-V104 PolarHBondContact O-N 3.34Å; V100-M117 HydrophobicContact CG1-CB 4.34Å; V100-M117 HydrophobicContact CG1-CG 4.33Å; V100-K120 HydrophobicContact CG1-CB 3.97Å; V100-K120 HydrophobicContact CG1-CG 3.86Å; V100-L124 HydrophobicContact CG2-CD1 3.8Å |
| 101 | R | 93.2 | Very high | 89.6 | Confident | 122 Ų | 122 | 71.1 Ų | 71.1 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.6 | -46.4 | 175.5 | -176.9 | 180 | 175.8 | 149.9 | 2.1 | 111.4 | P97 D98 V104 I105 L113 M117 | P97-R101 WeakPolarHBondContact O-CB 3.19Å; P97-R101 PolarHBondContact O-N 3.45Å; D98-R101 WeakPolarHBondContact O-CB 3.35Å; D98-R101 PolarHBondContact O-N 3.08Å; R101-V104 PolarHBondContact O-N 3.14Å; R101-I105 HydrophobicContact CG-CD1 3.94Å; R101-I105 WeakPolarHBondContact O-CG1 3.39Å; R101-I105 PolarHBondContact O-N 2.95Å; R101-I105 VanDerWaalsContact O-N 3.08Å; R101-L113 HydrophobicContact CG-CD1 4.29Å; R101-L113 HydrophobicContact CG-CD2 4.25Å; R101-M117 HydrophobicContact CB-CE 3.84Å; R101-M117 HydrophobicContact CB-SD 3.79Å; R101-M117 HydrophobicContact CG-SD 4Å |
| 102 | R | 94.6 | Very high | 89.4 | Confident | 134 Ų | 134 | 74 Ų | 74 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 177.4 | -69.3 | -166.4 | -57.2 | -87.9 | 3.5 | 111.8 | D98 D99 V100 V104 I105 E106 | D98-R102 WeakPolarHBondContact O-CG 3Å; D98-R102 PolarHBondContact O-N 2.71Å; D99-R102 PolarHBondContact O-N 3.1Å; D99-R102 IonicContact OD1-CZ 3.42Å; D99-R102 IonicContact OD1-NH1 3.45Å; D99-R102 IonicContact OD1-NH2 2.68Å; D99-R102 PolarHBondContact OD1-NH2 2.76Å; V100-R102 VanDerWaalsContact C-N 3.31Å; V100-R102 PolarHBondContact O-N 3.38Å; R102-V104 PolarHBondContact O-N 3.13Å; R102-I105 PolarHBondContact O-N 2.74Å; R102-E106 WeakPolarHBondContact O-CB 3.3Å; R102-E106 WeakPolarHBondContact O-CG 3.45Å; R102-E106 PolarHBondContact O-N 2.88Å |
| 103 | M | 94.7 | Very high | 89.4 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 29% | 0.291 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.7 | -35.6 | 176.9 | -67.1 | 176.7 | -161.3 | 0 | 0 | 113.3 | V95 D99 V100 K107 L124 | V95-M103 HydrophobicContact CG1-CE 4.01Å; D99-M103 HydrophobicContact CB-CE 4.4Å; D99-M103 WeakPolarHBondContact O-CG 3.46Å; D99-M103 PolarHBondContact O-N 3.42Å; V100-M103 PolarHBondContact O-N 3.17Å; M103-K107 WeakPolarHBondContact O-CG 3.3Å; M103-L124 HydrophobicContact SD-CD1 4.43Å |
| 104 | V | 92.9 | Very high | 89.2 | Confident | 9 Ų | 9 | 74.6 Ų | 74.6 | 6% | 0.055 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -73.8 | -46.1 | 178.9 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | V100 R101 R102 K107 G108 G109 L113 Q116 M117 K120 | V100-V104 HydrophobicContact CG1-CG2 4.45Å; V100-V104 WeakPolarHBondContact O-CG2 3.43Å; V100-V104 PolarHBondContact O-N 3.34Å; R101-V104 PolarHBondContact O-N 3.14Å; R102-V104 PolarHBondContact O-N 3.13Å; V104-K107 PolarHBondContact O-N 3.49Å; V104-K107 VanDerWaalsContact O-N 3.17Å; V104-G108 PolarHBondContact O-N 3.35Å; V104-G109 PolarHBondContact O-N 3.33Å; V104-L113 HydrophobicContact CB-CD1 4.19Å; V104-L113 HydrophobicContact CG1-CD1 3.67Å; V104-Q116 HydrophobicContact CG1-CB 3.41Å; V104-Q116 VanDerWaalsContact CG1-CB 3.41Å; V104-Q116 HydrophobicContact CG1-CG 4.38Å; V104-Q116 HydrophobicContact CG2-CB 4.28Å; V104-M117 HydrophobicContact CB-CG 4.49Å; V104-M117 HydrophobicContact CG2-CG 4.12Å; V104-K120 HydrophobicContact CG2-CB 3.9Å; V104-K120 HydrophobicContact CG2-CG 4.3Å |
| 105 | I | 93.3 | Very high | 88.9 | Confident | 81 Ų | 81 | 73.8 Ų | 73.8 | 42% | 0.415 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | -180 | -68.5 | 170.7 | 0 | 0 | 0 | 110.7 | R101 R102 K107 G108 L113 | R101-I105 HydrophobicContact CG-CD1 3.94Å; R101-I105 WeakPolarHBondContact O-CG1 3.39Å; R101-I105 PolarHBondContact O-N 2.95Å; R101-I105 VanDerWaalsContact O-N 3.08Å; R102-I105 PolarHBondContact O-N 2.74Å; I105-K107 PolarHBondContact O-N 2.87Å; I105-K107 VanDerWaalsContact O-N 3.17Å; I105-G108 PolarHBondContact O-N 2.79Å; I105-L113 HydrophobicContact CD1-CD1 4.47Å; I105-L113 HydrophobicContact CG1-CD1 3.97Å |
| 106 | E | 92.1 | Very high | 88.8 | Confident | 156 Ų | 156 | 76.1 Ų | 76.1 | 73% | 0.729 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.1 | -27 | 176.8 | -74.2 | 170.2 | -173.8 | 0 | 0 | 112.9 | R102 G108 | R102-E106 WeakPolarHBondContact O-CB 3.3Å; R102-E106 WeakPolarHBondContact O-CG 3.45Å; R102-E106 PolarHBondContact O-N 2.88Å; E106-G108 VanDerWaalsContact C-N 3.35Å |
| 107 | K | 89.2 | Confident | 88.8 | Confident | 175 Ų | 175 | 75.7 Ų | 75.7 | 76% | 0.761 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 8.1 | 175.5 | -70.2 | -169.7 | 175.6 | -161.9 | 0 | 114.1 | M103 V104 I105 | M103-K107 WeakPolarHBondContact O-CG 3.3Å; V104-K107 PolarHBondContact O-N 3.49Å; V104-K107 VanDerWaalsContact O-N 3.17Å; I105-K107 PolarHBondContact O-N 2.87Å; I105-K107 VanDerWaalsContact O-N 3.17Å |
| 108 | G | 85.6 | Confident | 88.8 | Confident | 60 Ų | 60 | 74.2 Ų | 74.2 | 62% | 0.619 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 10.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V104 I105 E106 A110 | V104-G108 PolarHBondContact O-N 3.35Å; I105-G108 PolarHBondContact O-N 2.79Å; E106-G108 VanDerWaalsContact C-N 3.35Å; G108-A110 PolarHBondContact O-N 2.83Å |
| 109 | G | 78.3 | Confident | 88.7 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 29.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V104 | V104-G109 PolarHBondContact O-N 3.33Š|
| 110 | A | 79.1 | Confident | 88.5 | Confident | 67 Ų | 67 | 71 Ų | 71 | 55% | 0.554 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -26.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G108 D112 | G108-A110 PolarHBondContact O-N 2.83Å; A110-D112 VanDerWaalsContact C-N 3.32Å; A110-D112 PolarHBondContact O-N 3.17Å |
| 111 | S | 81.4 | Confident | 88.5 | Confident | 116 Ų | 116 | 71 Ų | 71 | 81% | 0.811 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -24.5 | -176.8 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 112 | D | 82.5 | Confident | 88.3 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.6 | 52.5 | 179.3 | -168.7 | 5.6 | 0 | 0 | 0 | 110.3 | A110 E114 R115 Q116 | A110-D112 VanDerWaalsContact C-N 3.32Å; A110-D112 PolarHBondContact O-N 3.17Å; D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact O-N 3.46Å; D112-R115 VanDerWaalsContact CG-CB 3.4Å; D112-R115 PolarHBondContact O-N 3.41Å; D112-R115 VanDerWaalsContact OD1-CB 3.24Å; D112-R115 WeakPolarHBondContact OD1-CB 3.5Å; D112-R115 VanDerWaalsContact OD2-CB 3.24Å; D112-R115 WeakPolarHBondContact OD2-CB 3.15Å; D112-R115 WeakPolarHBondContact OD2-CD 3.37Å; D112-Q116 WeakPolarHBondContact O-CB 3.22Å; D112-Q116 VanDerWaalsContact O-CG 3.24Å; D112-Q116 WeakPolarHBondContact O-CG 3.44Å; D112-Q116 PolarHBondContact O-N 2.81Å |
| 113 | L | 87.9 | Confident | 88.1 | Confident | 39 Ų | 39 | 61 Ų | 61 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.4 | -41.8 | -167.3 | -178.7 | 62 | 0 | 0 | 0 | 112.8 | R101 V104 I105 Q116 M117 | R101-L113 HydrophobicContact CG-CD1 4.29Å; R101-L113 HydrophobicContact CG-CD2 4.25Å; V104-L113 HydrophobicContact CB-CD1 4.19Å; V104-L113 HydrophobicContact CG1-CD1 3.67Å; I105-L113 HydrophobicContact CD1-CD1 4.47Å; I105-L113 HydrophobicContact CG1-CD1 3.97Å; L113-Q116 PolarHBondContact O-N 3.37Å; L113-M117 HydrophobicContact CD1-CG 4.01Å; L113-M117 HydrophobicContact CD1-SD 4.11Å; L113-M117 HydrophobicContact CG-CG 4.31Å; L113-M117 HydrophobicContact CG-SD 3.99Å; L113-M117 VanDerWaalsContact O-CB 3.3Å; L113-M117 WeakPolarHBondContact O-CB 3.46Å; L113-M117 WeakPolarHBondContact O-CG 3.16Å; L113-M117 PolarHBondContact O-N 2.93Å |
| 114 | E | 85.5 | Confident | 87.9 | Confident | 111 Ų | 111 | 59.5 Ų | 59.5 | 52% | 0.519 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.9 | -49.5 | -178 | -175.9 | 171.9 | -172.8 | 0 | 0 | 111.8 | D112 Q116 M117 A118 R149 | D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact O-N 3.46Å; E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 PolarHBondContact O-N 3.13Å; E114-M117 PolarHBondContact O-N 2.97Å; E114-A118 PolarHBondContact O-N 2.78Å; E114-R149 VanDerWaalsContact OE1-O 3.13Å |
| 115 | R | 86.5 | Confident | 87.8 | Confident | 101 Ų | 101 | 59.1 Ų | 59.1 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 175.7 | -173.9 | -169.5 | 175.9 | 80.9 | 1.6 | 110.8 | D112 M117 A118 L119 L152 | D112-R115 VanDerWaalsContact CG-CB 3.4Å; D112-R115 PolarHBondContact O-N 3.41Å; D112-R115 VanDerWaalsContact OD1-CB 3.24Å; D112-R115 WeakPolarHBondContact OD1-CB 3.5Å; D112-R115 VanDerWaalsContact OD2-CB 3.24Å; D112-R115 WeakPolarHBondContact OD2-CB 3.15Å; D112-R115 WeakPolarHBondContact OD2-CD 3.37Å; R115-M117 PolarHBondContact O-N 3.15Å; R115-A118 WeakPolarHBondContact O-CB 3.49Å; R115-A118 PolarHBondContact O-N 2.79Å; R115-L119 HydrophobicContact CG-CD1 4.26Å; R115-L119 WeakPolarHBondContact O-CG 3.17Å; R115-L119 PolarHBondContact O-N 2.93Å; R115-L152 HydrophobicContact CG-CD1 4.41Å; R115-L152 HydrophobicContact CG-CD2 3.99Å |
| 116 | Q | 89 | Confident | 87.7 | Confident | 74 Ų | 74 | 56 Ų | 56 | 35% | 0.346 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.6 | -37.1 | -178.4 | -67.1 | -62.4 | -29 | 0 | 0 | 112.2 | V104 D112 L113 E114 L119 K120 | V104-Q116 HydrophobicContact CG1-CB 3.41Å; V104-Q116 VanDerWaalsContact CG1-CB 3.41Å; V104-Q116 HydrophobicContact CG1-CG 4.38Å; V104-Q116 HydrophobicContact CG2-CB 4.28Å; D112-Q116 WeakPolarHBondContact O-CB 3.22Å; D112-Q116 VanDerWaalsContact O-CG 3.24Å; D112-Q116 WeakPolarHBondContact O-CG 3.44Å; D112-Q116 PolarHBondContact O-N 2.81Å; L113-Q116 PolarHBondContact O-N 3.37Å; E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 PolarHBondContact O-N 3.13Å; Q116-L119 PolarHBondContact O-N 2.84Å; Q116-K120 WeakPolarHBondContact O-CB 3.49Å; Q116-K120 PolarHBondContact O-N 2.95Å |
| 117 | M | 91.1 | Very high | 87.6 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 171.3 | -76.6 | -177.3 | 66.2 | 0 | 0 | 111.8 | P97 V100 R101 V104 L113 E114 R115 K120 T121 | P97-M117 VanDerWaalsContact O-CE 3.3Å; P97-M117 WeakPolarHBondContact O-CE 3.45Å; V100-M117 HydrophobicContact CG1-CB 4.34Å; V100-M117 HydrophobicContact CG1-CG 4.33Å; R101-M117 HydrophobicContact CB-CE 3.84Å; R101-M117 HydrophobicContact CB-SD 3.79Å; R101-M117 HydrophobicContact CG-SD 4Å; V104-M117 HydrophobicContact CB-CG 4.49Å; V104-M117 HydrophobicContact CG2-CG 4.12Å; L113-M117 HydrophobicContact CD1-CG 4.01Å; L113-M117 HydrophobicContact CD1-SD 4.11Å; L113-M117 HydrophobicContact CG-CG 4.31Å; L113-M117 HydrophobicContact CG-SD 3.99Å; L113-M117 VanDerWaalsContact O-CB 3.3Å; L113-M117 WeakPolarHBondContact O-CB 3.46Å; L113-M117 WeakPolarHBondContact O-CG 3.16Å; L113-M117 PolarHBondContact O-N 2.93Å; E114-M117 PolarHBondContact O-N 2.97Å; R115-M117 PolarHBondContact O-N 3.15Å; M117-K120 PolarHBondContact O-N 3.38Å; M117-T121 VanDerWaalsContact O-CB 3.28Å; M117-T121 WeakPolarHBondContact O-CB 3.31Å; M117-T121 PolarHBondContact O-N 3.35Å; M117-T121 PolarHBondContact O-OG1 3.27Å |
| 118 | A | 89.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -50.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E114 R115 K120 T121 K122 T150 L152 L160 | E114-A118 PolarHBondContact O-N 2.78Å; R115-A118 WeakPolarHBondContact O-CB 3.49Å; R115-A118 PolarHBondContact O-N 2.79Å; A118-K120 PolarHBondContact O-N 3.06Å; A118-T121 PolarHBondContact O-N 3.38Å; A118-K122 WeakPolarHBondContact O-CB 3.48Å; A118-K122 PolarHBondContact O-N 2.9Å; A118-T150 HydrophobicContact CB-CG2 3.55Å; A118-L152 HydrophobicContact CB-CD2 3.99Å; A118-L160 HydrophobicContact CB-CD2 4.44Å; A118-L160 WeakPolarHBondContact O-CD1 3.05Å |
| 119 | L | 89.3 | Confident | 87.9 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 177.5 | -69.5 | 173.9 | 0 | 0 | 0 | 111.5 | R115 Q116 T121 K122 D123 L152 C154 | R115-L119 HydrophobicContact CG-CD1 4.26Å; R115-L119 WeakPolarHBondContact O-CG 3.17Å; R115-L119 PolarHBondContact O-N 2.93Å; Q116-L119 PolarHBondContact O-N 2.84Å; L119-T121 PolarHBondContact O-N 3.31Å; L119-K122 WeakPolarHBondContact O-CB 3.4Å; L119-K122 PolarHBondContact O-N 3.18Å; L119-D123 VanDerWaalsContact O-CG 3.23Å; L119-D123 PolarHBondContact O-N 2.71Å; L119-L152 HydrophobicContact CD2-CD2 3.69Å; L119-L152 HydrophobicContact CG-CD2 3.86Å; L119-C154 HydrophobicContact CD2-CB 3.58Å |
| 120 | K | 90.7 | Very high | 88.4 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 179.1 | -177.8 | 55.6 | 179 | 163.3 | 0 | 112.4 | V100 V104 Q116 M117 A118 D123 L124 | V100-K120 HydrophobicContact CG1-CB 3.97Å; V100-K120 HydrophobicContact CG1-CG 3.86Å; V104-K120 HydrophobicContact CG2-CB 3.9Å; V104-K120 HydrophobicContact CG2-CG 4.3Å; Q116-K120 WeakPolarHBondContact O-CB 3.49Å; Q116-K120 PolarHBondContact O-N 2.95Å; M117-K120 PolarHBondContact O-N 3.38Å; A118-K120 PolarHBondContact O-N 3.06Å; K120-D123 WeakPolarHBondContact O-CB 2.99Å; K120-D123 PolarHBondContact O-N 3.47Å; K120-L124 HydrophobicContact CD-CG 4.48Å; K120-L124 HydrophobicContact CG-CD1 4.39Å; K120-L124 WeakPolarHBondContact O-CG 3.39Å; K120-L124 PolarHBondContact O-N 3.1Å; K120-L124 VanDerWaalsContact O-N 3.11Å |
| 121 | T | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | F42 M117 A118 L119 D123 L124 C125 V145 L148 L160 | F42-T121 HydrophobicContact CE1-CG2 4.06Å; F42-T121 HydrophobicContact CE2-CG2 4.12Å; F42-T121 HydrophobicContact CZ-CG2 3.47Å; F42-T121 VanDerWaalsContact CZ-CG2 3.47Å; M117-T121 VanDerWaalsContact O-CB 3.28Å; M117-T121 WeakPolarHBondContact O-CB 3.31Å; M117-T121 PolarHBondContact O-N 3.35Å; M117-T121 PolarHBondContact O-OG1 3.27Å; A118-T121 PolarHBondContact O-N 3.38Å; L119-T121 PolarHBondContact O-N 3.31Å; T121-D123 VanDerWaalsContact C-N 3.29Å; T121-D123 PolarHBondContact O-N 3.3Å; T121-L124 PolarHBondContact O-N 3.49Å; T121-C125 PolarHBondContact O-N 2.9Å; T121-C125 PolarHBondContact O-SG 2.87Å; T121-V145 HydrophobicContact CG2-CG1 4.38Å; T121-V145 HydrophobicContact CG2-CG2 3.87Å; T121-L148 HydrophobicContact CG2-CD1 4.04Å; T121-L160 HydrophobicContact CG2-CD1 4.49Å |
| 122 | K | 89.7 | Confident | 89.2 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.7 | -47 | 174.9 | -170.1 | 174.5 | 67.7 | 165.5 | 0 | 111.3 | A118 L119 L124 C125 V126 I156 R157 G158 L160 | A118-K122 WeakPolarHBondContact O-CB 3.48Å; A118-K122 PolarHBondContact O-N 2.9Å; L119-K122 WeakPolarHBondContact O-CB 3.4Å; L119-K122 PolarHBondContact O-N 3.18Å; K122-L124 PolarHBondContact O-N 3.27Å; K122-C125 PolarHBondContact O-N 3.28Å; K122-V126 HydrophobicContact CG-CG2 4.49Å; K122-V126 WeakPolarHBondContact O-CB 3.48Å; K122-V126 VanDerWaalsContact O-CG2 3.31Å; K122-V126 WeakPolarHBondContact O-CG2 3.36Å; K122-V126 PolarHBondContact O-N 2.77Å; K122-I156 WeakPolarHBondContact CE-O 3.32Å; K122-I156 PolarHBondContact NZ-O 2.88Å; K122-R157 HydrophobicContact CD-CB 4.35Å; K122-G158 PolarHBondContact NZ-O 3Å; K122-L160 HydrophobicContact CB-CD1 3.79Å; K122-L160 HydrophobicContact CD-CB 4.29Å |
| 123 | D | 89.4 | Confident | 89.4 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 178.7 | -70.2 | -8.1 | 0 | 0 | 0 | 112.4 | L119 K120 T121 V126 E127 R157 | L119-D123 VanDerWaalsContact O-CG 3.23Å; L119-D123 PolarHBondContact O-N 2.71Å; K120-D123 WeakPolarHBondContact O-CB 2.99Å; K120-D123 PolarHBondContact O-N 3.47Å; T121-D123 VanDerWaalsContact C-N 3.29Å; T121-D123 PolarHBondContact O-N 3.3Å; D123-V126 PolarHBondContact O-N 2.04Å; D123-E127 VanDerWaalsContact O-CB 3.29Å; D123-E127 WeakPolarHBondContact O-CB 3.48Å; D123-E127 PolarHBondContact O-N 3.32Å; D123-R157 WeakPolarHBondContact OD1-CD 3.26Å; D123-R157 IonicContact OD1-CZ 3.87Å; D123-R157 IonicContact OD1-NE 3.72Å; D123-R157 IonicContact OD1-NH1 3.5Å; D123-R157 PolarHBondContact OD1-NH1 3.42Å; D123-R157 IonicContact OD2-NH1 2.62Å; D123-R157 PolarHBondContact OD2-NH1 3.16Å |
| 124 | L | 91.8 | Very high | 89.3 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 179.3 | -68.7 | 171.5 | 0 | 0 | 0 | 112 | I93 V95 V100 M103 K120 T121 K122 Y128 | I93-L124 HydrophobicContact CD1-CB 4.26Å; V95-L124 HydrophobicContact CG2-CD1 3.98Å; V100-L124 HydrophobicContact CG2-CD1 3.8Å; M103-L124 HydrophobicContact SD-CD1 4.43Å; K120-L124 HydrophobicContact CD-CG 4.48Å; K120-L124 HydrophobicContact CG-CD1 4.39Å; K120-L124 WeakPolarHBondContact O-CG 3.39Å; K120-L124 PolarHBondContact O-N 3.1Å; K120-L124 VanDerWaalsContact O-N 3.11Å; T121-L124 PolarHBondContact O-N 3.49Å; K122-L124 PolarHBondContact O-N 3.27Å; L124-Y128 VanDerWaalsContact O-CB 3.25Å; L124-Y128 WeakPolarHBondContact O-CB 3.5Å; L124-Y128 PolarHBondContact O-N 2.94Å |
| 125 | C | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 176.5 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | L38 C40 F91 T121 K122 Y128 A129 T143 | L38-C125 HydrophobicContact CD2-CB 3.95Å; C40-C125 HydrophobicContact CB-CB 3.6Å; C40-C125 WeakPolarHBondContact CB-SG 3.32Å; C40-C125 WeakPolarHBondContact SG-CB 3.34Å; C40-C125 CovalentContact SG-SG 2.04Å; C40-C125 PolarHBondContact SG-SG 3.31Å; F91-C125 HydrophobicContact CE2-CB 4.4Å; F91-C125 HydrophobicContact CZ-CB 4.45Å; T121-C125 PolarHBondContact O-N 2.9Å; T121-C125 PolarHBondContact O-SG 2.87Å; K122-C125 PolarHBondContact O-N 3.28Å; C125-Y128 PolarHBondContact O-N 2.9Å; C125-A129 VanDerWaalsContact O-CB 3.32Å; C125-A129 WeakPolarHBondContact O-CB 3.44Å; C125-A129 PolarHBondContact O-N 3.1Å; C125-T143 HydrophobicContact CB-CG2 3.88Å |
| 126 | V | 90 | Very high | 88.9 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 178.7 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | L38 K122 D123 A129 F130 L136 V141 | L38-V126 HydrophobicContact CD2-CG2 4.04Å; K122-V126 HydrophobicContact CG-CG2 4.49Å; K122-V126 WeakPolarHBondContact O-CB 3.48Å; K122-V126 VanDerWaalsContact O-CG2 3.31Å; K122-V126 WeakPolarHBondContact O-CG2 3.36Å; K122-V126 PolarHBondContact O-N 2.77Å; D123-V126 PolarHBondContact O-N 2.04Å; V126-A129 PolarHBondContact O-N 3.3Å; V126-F130 WeakPolarHBondContact O-CB 3.43Å; V126-F130 PolarHBondContact O-N 3.12Å; V126-L136 HydrophobicContact CG1-CD1 3.84Å; V126-V141 HydrophobicContact CG2-CG1 4.3Å |
| 127 | E | 89.5 | Confident | 88.4 | Confident | 80 Ų | 80 | 55.5 Ų | 55.5 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 177.6 | -177.3 | -177.4 | 166.9 | 0 | 0 | 111.7 | D123 F130 R131 | D123-E127 VanDerWaalsContact O-CB 3.29Å; D123-E127 WeakPolarHBondContact O-CB 3.48Å; D123-E127 PolarHBondContact O-N 3.32Å; E127-F130 PolarHBondContact O-N 3.19Å; E127-R131 WeakPolarHBondContact O-CG 3.39Å; E127-R131 PolarHBondContact O-N 2.98Å; E127-R131 IonicContact OE1-CZ 3.38Å; E127-R131 IonicContact OE1-NE 3.79Å; E127-R131 IonicContact OE1-NH1 3.89Å; E127-R131 IonicContact OE1-NH2 3.8Å; E127-R131 PolarHBondContact OE1-NH2 3.11Å |
| 128 | Y | 91.3 | Very high | 88 | Confident | 70 Ų | 70 | 54.9 Ų | 54.9 | 28% | 0.275 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 177.5 | -172.2 | -81.4 | 0 | 0 | 0 | 111.4 | F91 I93 L124 C125 R131 R132 | F91-Y128 HydrophobicContact CB-CD1 4.24Å; F91-Y128 HydrophobicContact CB-CE1 3.77Å; F91-Y128 AromaticContact CD2-CD1 3.18Å; F91-Y128 HydrophobicContact CD2-CD1 3.18Å; F91-Y128 AromaticContact CD2-CE1 3.59Å; F91-Y128 HydrophobicContact CD2-CE1 3.59Å; F91-Y128 AromaticContact CD2-CG 4Å; F91-Y128 HydrophobicContact CD2-CG 4Å; F91-Y128 AromaticContact CE2-CD1 3.62Å; F91-Y128 HydrophobicContact CE2-CD1 3.62Å; F91-Y128 HydrophobicContact CE2-CE1 4.45Å; F91-Y128 HydrophobicContact CE2-CG 4.17Å; F91-Y128 AromaticContact CG-CD1 3.76Å; F91-Y128 HydrophobicContact CG-CD1 3.76Å; F91-Y128 AromaticContact CG-CE1 3.82Å; F91-Y128 HydrophobicContact CG-CE1 3.82Å; I93-Y128 HydrophobicContact CG2-CD2 4.32Å; I93-Y128 HydrophobicContact CG2-CG 4.08Å; L124-Y128 VanDerWaalsContact O-CB 3.25Å; L124-Y128 WeakPolarHBondContact O-CB 3.5Å; L124-Y128 PolarHBondContact O-N 2.94Å; C125-Y128 PolarHBondContact O-N 2.9Å; Y128-R131 PolarHBondContact O-N 3.09Å; Y128-R132 WeakPolarHBondContact O-CB 3.41Å; Y128-R132 PolarHBondContact O-N 3.03Å |
| 129 | A | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L38 F91 C125 V126 R131 R132 H133 L136 | L38-A129 HydrophobicContact CD1-CB 3.51Å; L38-A129 HydrophobicContact CD2-CB 4.17Å; L38-A129 HydrophobicContact CG-CB 4.47Å; F91-A129 HydrophobicContact CE1-CB 4.11Å; F91-A129 HydrophobicContact CZ-CB 3.89Å; C125-A129 VanDerWaalsContact O-CB 3.32Å; C125-A129 WeakPolarHBondContact O-CB 3.44Å; C125-A129 PolarHBondContact O-N 3.1Å; V126-A129 PolarHBondContact O-N 3.3Å; A129-R131 VanDerWaalsContact C-N 3.34Å; A129-R131 PolarHBondContact O-N 3Å; A129-R132 PolarHBondContact O-N 3.02Å; A129-R132 VanDerWaalsContact O-N 3.16Å; A129-H133 WeakPolarHBondContact O-CB 3.41Å; A129-H133 PolarHBondContact O-CD2 3.29Å; A129-H133 PolarHBondContact O-N 2.76Å; A129-L136 HydrophobicContact CB-CD2 4.13Å |
| 130 | F | 88.1 | Confident | 87.4 | Confident | 110 Ų | 110 | 61 Ų | 61 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 176.7 | -172.3 | -89.7 | 0 | 0 | 0 | 111.5 | V126 E127 R132 G134 L136 | V126-F130 WeakPolarHBondContact O-CB 3.43Å; V126-F130 PolarHBondContact O-N 3.12Å; E127-F130 PolarHBondContact O-N 3.19Å; F130-R132 VanDerWaalsContact C-N 3.31Å; F130-R132 PolarHBondContact O-N 2.9Å; F130-G134 WeakPolarHBondContact CZ-O 3.38Å; F130-G134 VanDerWaalsContact O-CA 3.24Å; F130-G134 WeakPolarHBondContact O-CA 3.11Å; F130-G134 PolarHBondContact O-N 2.83Å; F130-L136 HydrophobicContact CD2-CG 4.38Å |
| 131 | R | 89.6 | Confident | 87.4 | Confident | 190 Ų | 190 | 58.9 Ų | 58.9 | 72% | 0.717 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63 | -36.2 | 175.2 | -74.5 | -180 | 178.9 | 170.4 | 5.1 | 113 | E127 Y128 A129 | E127-R131 WeakPolarHBondContact O-CG 3.39Å; E127-R131 PolarHBondContact O-N 2.98Å; E127-R131 IonicContact OE1-CZ 3.38Å; E127-R131 IonicContact OE1-NE 3.79Å; E127-R131 IonicContact OE1-NH1 3.89Å; E127-R131 IonicContact OE1-NH2 3.8Å; E127-R131 PolarHBondContact OE1-NH2 3.11Å; Y128-R131 PolarHBondContact O-N 3.09Å; A129-R131 VanDerWaalsContact C-N 3.34Å; A129-R131 PolarHBondContact O-N 3Å |
| 132 | R | 89.5 | Confident | 87.6 | Confident | 164 Ų | 164 | 58.9 Ų | 58.9 | 62% | 0.619 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -75.8 | -38.8 | -178.7 | -174 | 176 | -177.4 | 93.7 | 2.6 | 112.9 | Y128 A129 F130 | Y128-R132 WeakPolarHBondContact O-CB 3.41Å; Y128-R132 PolarHBondContact O-N 3.03Å; A129-R132 PolarHBondContact O-N 3.02Å; A129-R132 VanDerWaalsContact O-N 3.16Å; F130-R132 VanDerWaalsContact C-N 3.31Å; F130-R132 PolarHBondContact O-N 2.9Å |
| 133 | H | 86.3 | Confident | 87.8 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -106.4 | -12.5 | -172.1 | -65.5 | -73.9 | 0 | 0 | 0 | 114.2 | A129 F135 | A129-H133 WeakPolarHBondContact O-CB 3.41Å; A129-H133 PolarHBondContact O-CD2 3.29Å; A129-H133 PolarHBondContact O-N 2.76Å; H133-F135 PolarHBondContact O-N 2.75Å; H133-F135 VanDerWaalsContact O-N 3.15Å |
| 134 | G | 84.8 | Confident | 88 | Confident | 52 Ų | 52 | 56.8 Ų | 56.8 | 54% | 0.536 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 78.9 | -22.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F130 | F130-G134 WeakPolarHBondContact CZ-O 3.38Å; F130-G134 VanDerWaalsContact O-CA 3.24Å; F130-G134 WeakPolarHBondContact O-CA 3.11Å; F130-G134 PolarHBondContact O-N 2.83Å |
| 135 | F | 82.6 | Confident | 87.9 | Confident | 132 Ų | 132 | 55.4 Ų | 55.4 | 58% | 0.579 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -154 | 165.1 | 175.7 | 71.6 | -79.9 | 0 | 0 | 0 | 111.6 | H133 P137 | H133-F135 PolarHBondContact O-N 2.75Å; H133-F135 VanDerWaalsContact O-N 3.15Å; F135-P137 HydrophobicContact CE2-CG 4.09Å |
| 136 | L | 81.2 | Confident | 87.3 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | trans | -113.5 | 131.3 | 167.9 | -63.8 | 174.3 | 0 | 0 | 0 | 108.8 | T36 L88 V126 A129 F130 S138 V141 | T36-L136 HydrophobicContact CG2-CD2 4.35Å; L88-L136 HydrophobicContact CD1-CD2 3.96Å; V126-L136 HydrophobicContact CG1-CD1 3.84Å; A129-L136 HydrophobicContact CB-CD2 4.13Å; F130-L136 HydrophobicContact CD2-CG 4.38Å; L136-S138 PolarHBondContact O-N 3.29Å; L136-V141 HydrophobicContact CD1-CG2 4.28Å | ||
| 137 | P | 78.9 | Confident | 86.5 | Confident | 55 Ų | 55 | 57 Ų | 57 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -62.1 | -24.8 | -176.6 | -27.9 | 37.5 | 0 | 0 | 0 | 114.9 | A85 A86 F135 | A85-P137 HydrophobicContact CB-CB 4.08Å; A86-P137 HydrophobicContact CB-CG 3.74Å; F135-P137 HydrophobicContact CE2-CG 4.09Å |
| 138 | S | 81.6 | Confident | 86.1 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | trans | -140.2 | 147.4 | 174.6 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | P34 T36 L136 K140 | P34-S138 VanDerWaalsContact O-CB 3.27Å; P34-S138 WeakPolarHBondContact O-CB 3.32Å; P34-S138 PolarHBondContact O-OG 3Å; T36-S138 PolarHBondContact OG1-N 2.73Å; T36-S138 PolarHBondContact OG1-O 2.94Å; L136-S138 PolarHBondContact O-N 3.29Å; S138-K140 PolarHBondContact O-N 3.22Å; S138-K140 PolarHBondContact OG-N 3.03Å; S138-K140 VanDerWaalsContact OG-N 3.08Å | ||
| 139 | S | 79.5 | Confident | 85.6 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 78% | 0.776 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -70 | -21.4 | 169.7 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 140 | K | 87.5 | Confident | 85.3 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | trans | -86.4 | 117.3 | 172 | -67.2 | -159.6 | 174.4 | -169.1 | 0 | 109.7 | E33 W35 T36 S138 S178 | E33-K140 VanDerWaalsContact CD-CE 3.48Å; E33-K140 HydrophobicContact CG-CD 4.21Å; E33-K140 WeakPolarHBondContact OE1-CD 3.4Å; E33-K140 WeakPolarHBondContact OE1-CE 3.27Å; E33-K140 IonicContact OE1-NZ 3.05Å; E33-K140 PolarHBondContact OE1-NZ 2.78Å; E33-K140 IonicContact OE2-NZ 3.86Å; E33-K140 PolarHBondContact OE2-NZ 3.13Å; W35-K140 WeakPolarHBondContact CA-O 3.43Å; W35-K140 HydrophobicContact CD2-CB 3.78Å; W35-K140 HydrophobicContact CD2-CD 4.34Å; W35-K140 HydrophobicContact CE3-CB 3.6Å; W35-K140 HydrophobicContact CG-CB 4.42Å; W35-K140 HydrophobicContact CH2-CB 4.22Å; W35-K140 HydrophobicContact CH2-CD 3.87Å; W35-K140 HydrophobicContact CZ2-CB 4.35Å; W35-K140 HydrophobicContact CZ2-CD 3.56Å; W35-K140 HydrophobicContact CZ3-CB 3.84Å; W35-K140 HydrophobicContact CZ3-CD 4.36Å; T36-K140 PolarHBondContact N-O 3.21Å; S138-K140 PolarHBondContact O-N 3.22Å; S138-K140 PolarHBondContact OG-N 3.03Å; S138-K140 VanDerWaalsContact OG-N 3.08Å; K140-S178 PolarHBondContact NZ-OG 2.95Å | ||
| 141 | V | 92 | Very high | 85.2 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136 | -174.7 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | T36 L38 V126 L136 G158 I159 | T36-V141 CarbonylContact O-C 3.6Å; T36-V141 WeakPolarHBondContact O-CA 3.46Å; L38-V141 HydrophobicContact CB-CG1 3.87Å; L38-V141 HydrophobicContact CD2-CG1 4.22Å; V126-V141 HydrophobicContact CG2-CG1 4.3Å; L136-V141 HydrophobicContact CD1-CG2 4.28Å; V141-G158 CarbonylContact O-C 3.6Å; V141-G158 WeakPolarHBondContact O-CA 3.35Å; V141-I159 PolarHBondContact O-N 3.04Å |
| 142 | V | 94.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 114.2 | 163.2 | -173 | 0 | 0 | 0 | 0 | 107.5 | W35 T36 I37 L38 F59 F144 I159 L171 | W35-V142 HydrophobicContact CD2-CG2 4.32Å; W35-V142 HydrophobicContact CE3-CG2 3.51Å; W35-V142 HydrophobicContact CZ3-CG2 3.92Å; T36-V142 PolarHBondContact O-N 3.43Å; I37-V142 HydrophobicContact CD1-CB 3.78Å; I37-V142 HydrophobicContact CD1-CG2 3.85Å; L38-V142 PolarHBondContact N-O 3.36Å; F59-V142 HydrophobicContact CE2-CG2 4.2Å; V142-F144 HydrophobicContact CB-CE2 4.28Å; V142-F144 HydrophobicContact CG1-CD2 4.18Å; V142-F144 HydrophobicContact CG1-CE1 4.31Å; V142-F144 HydrophobicContact CG1-CE2 3.58Å; V142-F144 HydrophobicContact CG1-CZ 3.68Å; V142-I159 HydrophobicContact CG1-CB 4.31Å; V142-I159 HydrophobicContact CG1-CG2 4.21Å; V142-I159 HydrophobicContact CG2-CB 4.44Å; V142-I159 HydrophobicContact CG2-CD1 4.31Å; V142-L171 HydrophobicContact CG1-CD1 3.63Å; V142-L171 HydrophobicContact CG2-CD1 4.18Å |
| 143 | T | 93.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 117.2 | 179.3 | -54.5 | 0 | 0 | 0 | 0 | 109.7 | L38 C40 C125 I159 L160 L161 | L38-T143 HydrophobicContact CD2-CG2 4.26Å; L38-T143 CarbonylContact O-C 3.49Å; L38-T143 WeakPolarHBondContact O-CA 3.38Å; C40-T143 HydrophobicContact CB-CG2 4.3Å; C125-T143 HydrophobicContact CB-CG2 3.88Å; T143-I159 PolarHBondContact N-O 2.85Å; T143-L160 CarbonylContact O-C 3.52Å; T143-L160 WeakPolarHBondContact O-CA 2.98Å; T143-L161 PolarHBondContact O-N 3.04Å |
| 144 | F | 93.1 | Very high | 84.6 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.3 | 169.8 | -64.5 | -79.3 | 0 | 0 | 0 | 108.4 | I37 L38 L39 C40 F55 W58 W90 V142 L161 F166 L171 | I37-F144 HydrophobicContact CG2-CD2 3.76Å; I37-F144 HydrophobicContact CG2-CE2 3.59Å; L38-F144 PolarHBondContact O-N 3.02Å; L39-F144 HydrophobicContact CD2-CB 3.79Å; L39-F144 HydrophobicContact CD2-CD2 3.6Å; L39-F144 HydrophobicContact CD2-CG 4.04Å; C40-F144 PolarHBondContact N-O 3.09Å; F55-F144 HydrophobicContact CD1-CD1 4.27Å; F55-F144 AromaticContact CD1-CD2 3.72Å; F55-F144 HydrophobicContact CD1-CD2 3.72Å; F55-F144 HydrophobicContact CD1-CE1 4.21Å; F55-F144 AromaticContact CD1-CE2 3.63Å; F55-F144 HydrophobicContact CD1-CE2 3.63Å; F55-F144 HydrophobicContact CD1-CG 4Å; F55-F144 AromaticContact CD1-CZ 3.86Å; F55-F144 HydrophobicContact CD1-CZ 3.86Å; F55-F144 HydrophobicContact CE1-CB 4.06Å; F55-F144 AromaticContact CE1-CD1 3.59Å; F55-F144 HydrophobicContact CE1-CD1 3.59Å; F55-F144 AromaticContact CE1-CD2 3.73Å; F55-F144 HydrophobicContact CE1-CD2 3.73Å; F55-F144 AromaticContact CE1-CE1 3.84Å; F55-F144 HydrophobicContact CE1-CE1 3.84Å; F55-F144 AromaticContact CE1-CE2 3.95Å; F55-F144 HydrophobicContact CE1-CE2 3.95Å; F55-F144 AromaticContact CE1-CG 3.5Å; F55-F144 HydrophobicContact CE1-CG 3.5Å; F55-F144 VanDerWaalsContact CE1-CG 3.5Å; F55-F144 AromaticContact CE1-CZ 3.98Å; F55-F144 HydrophobicContact CE1-CZ 3.98Å; F55-F144 HydrophobicContact CZ-CB 4.29Å; F55-F144 HydrophobicContact CZ-CD1 4.46Å; F55-F144 HydrophobicContact CZ-CG 4.22Å; W58-F144 HydrophobicContact CE3-CE1 4.41Å; W58-F144 HydrophobicContact CE3-CZ 4.13Å; W58-F144 AromaticContact CH2-CE1 3.9Å; W58-F144 HydrophobicContact CH2-CE1 3.9Å; W58-F144 HydrophobicContact CH2-CZ 4.13Å; W58-F144 HydrophobicContact CZ3-CD1 4.46Å; W58-F144 AromaticContact CZ3-CE1 3.41Å; W58-F144 HydrophobicContact CZ3-CE1 3.41Å; W58-F144 VanDerWaalsContact CZ3-CE1 3.41Å; W58-F144 AromaticContact CZ3-CZ 3.5Å; W58-F144 HydrophobicContact CZ3-CZ 3.5Å; W58-F144 VanDerWaalsContact CZ3-CZ 3.5Å; W90-F144 HydrophobicContact CH2-CB 4.32Å; V142-F144 HydrophobicContact CB-CE2 4.28Å; V142-F144 HydrophobicContact CG1-CD2 4.18Å; V142-F144 HydrophobicContact CG1-CE1 4.31Å; V142-F144 HydrophobicContact CG1-CE2 3.58Å; V142-F144 HydrophobicContact CG1-CZ 3.68Å; F144-L161 WeakPolarHBondContact CA-O 3.49Å; F144-L161 HydrophobicContact CD1-CB 3.78Å; F144-L161 HydrophobicContact CE1-CB 3.87Å; F144-L161 HydrophobicContact CE1-CD2 3.84Å; F144-L161 HydrophobicContact CE1-CG 4.45Å; F144-F166 HydrophobicContact CB-CE1 4.16Å; F144-F166 HydrophobicContact CB-CZ 4.04Å; F144-F166 AromaticContact CD1-CD1 3.75Å; F144-F166 HydrophobicContact CD1-CD1 3.75Å; F144-F166 AromaticContact CD1-CE1 3.46Å; F144-F166 HydrophobicContact CD1-CE1 3.46Å; F144-F166 VanDerWaalsContact CD1-CE1 3.46Å; F144-F166 HydrophobicContact CD1-CZ 4.03Å; F144-F166 HydrophobicContact CE1-CD1 4.17Å; F144-F166 HydrophobicContact CE1-CE1 4.31Å; F144-F166 HydrophobicContact CG-CE1 4.28Å; F144-F166 HydrophobicContact CG-CZ 4.49Å; F144-L171 HydrophobicContact CZ-CD2 3.9Å |
| 145 | V | 89.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.5 | -179.5 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | C40 F42 T121 L148 L160 L161 S162 P163 | C40-V145 VanDerWaalsContact O-CA 3.25Å; C40-V145 WeakPolarHBondContact O-CA 3.29Å; C40-V145 WeakPolarHBondContact O-CG2 3.44Å; F42-V145 HydrophobicContact CD2-CG2 4.16Å; F42-V145 HydrophobicContact CE2-CG2 3.77Å; F42-V145 HydrophobicContact CZ-CG2 4.47Å; T121-V145 HydrophobicContact CG2-CG1 4.38Å; T121-V145 HydrophobicContact CG2-CG2 3.87Å; V145-L148 HydrophobicContact CG1-CB 4.46Å; V145-L148 HydrophobicContact CG1-CD1 3.93Å; V145-L148 HydrophobicContact CG1-CG 4.3Å; V145-L160 HydrophobicContact CG1-CD1 3.8Å; V145-L160 HydrophobicContact CG1-CD2 3.69Å; V145-L160 HydrophobicContact CG1-CG 3.79Å; V145-L161 PolarHBondContact N-O 3.08Å; V145-S162 WeakPolarHBondContact O-CA 3.37Å; V145-P163 VanDerWaalsContact O-CD 3.3Å; V145-P163 WeakPolarHBondContact O-CD 3.5Å |
| 146 | D | 78.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 146.2 | 171.7 | -56.7 | -30.1 | 0 | 0 | 0 | 110.5 | N41 F42 H45 P163 | N41-D146 PolarHBondContact ND2-OD2 3.29Å; N41-D146 VanDerWaalsContact ND2-OD2 3.09Å; N41-D146 WeakPolarHBondContact OD1-CB 3.34Å; N41-D146 PolarHBondContact OD1-N 3.36Å; N41-D146 PolarHBondContact OD1-OD2 3.17Å; N41-D146 VanDerWaalsContact OD1-OD2 3.09Å; F42-D146 WeakPolarHBondContact CD2-O 3.32Å; H45-D146 VanDerWaalsContact CD2-CB 3.48Å; H45-D146 WeakPolarHBondContact CD2-CB 3.48Å; H45-D146 WeakPolarHBondContact CE1-CB 3.3Å; H45-D146 VanDerWaalsContact CE1-CG 3.49Å; H45-D146 IonicContact CE1-OD2 2.75Å; H45-D146 PolarHBondContact CE1-OD2 3.33Å; H45-D146 IonicContact ND1-OD2 3.42Å; H45-D146 PolarHBondContact ND1-OD2 3.15Å; H45-D146 WeakPolarHBondContact NE2-CB 3.36Å; H45-D146 IonicContact NE2-OD2 3.78Å; D146-P163 HydrophobicContact CB-CG 4.21Å; D146-P163 WeakPolarHBondContact OD1-CG 3.25Å |
| 147 | G | 72.7 | Confident | 82.6 | Confident | 49 Ų | 49 | 41.7 Ų | 41.7 | 51% | 0.505 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97 | -0.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 148 | L | 81.2 | Confident | 82.9 | Confident | 21 Ų | 21 | 39.4 Ų | 39.4 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | trans | -106.6 | 172.2 | 165.2 | -62.3 | -177.3 | 0 | 0 | 0 | 110.8 | F42 T121 V145 T150 L160 S162 | F42-L148 HydrophobicContact CE2-CD2 4.25Å; F42-L148 HydrophobicContact CE2-CG 4.06Å; F42-L148 HydrophobicContact CZ-CD2 4.24Å; F42-L148 HydrophobicContact CZ-CG 4.31Å; T121-L148 HydrophobicContact CG2-CD1 4.04Å; V145-L148 HydrophobicContact CG1-CB 4.46Å; V145-L148 HydrophobicContact CG1-CD1 3.93Å; V145-L148 HydrophobicContact CG1-CG 4.3Å; L148-T150 HydrophobicContact CB-CG2 4.24Å; L148-T150 HydrophobicContact CD1-CG2 4.45Å; L148-L160 HydrophobicContact CD1-CD2 4.26Å; L148-S162 WeakPolarHBondContact O-CB 3.33Å; L148-S162 PolarHBondContact O-OG 3.03Å | ||
| 149 | R | 81.3 | Confident | 83.5 | Confident | 190 Ų | 190 | 38.7 Ų | 38.7 | 72% | 0.717 | 21% | 0.21 | S | C | * | . | trans | -128.7 | 41.4 | 179.9 | -65.5 | -162.2 | -177.4 | 174.9 | 0.6 | 112.8 | E114 Q164 F165 | E114-R149 VanDerWaalsContact OE1-O 3.13Å; R149-Q164 VanDerWaalsContact C-NE2 3.27Å; R149-Q164 VanDerWaalsContact CG-OE1 3.27Å; R149-Q164 PolarHBondContact O-NE2 3.46Å; R149-F165 WeakPolarHBondContact O-CE2 3.16Å | ||
| 150 | T | 83.7 | Confident | 84.1 | Confident | 20 Ų | 20 | 33.5 Ų | 33.5 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | trans | -137.1 | 153.7 | -171.7 | -167.1 | 0 | 0 | 0 | 0 | 112.3 | A118 L148 L160 S162 F165 | A118-T150 HydrophobicContact CB-CG2 3.55Å; L148-T150 HydrophobicContact CB-CG2 4.24Å; L148-T150 HydrophobicContact CD1-CG2 4.45Å; T150-L160 HydrophobicContact CG2-CD2 3.76Å; T150-S162 PolarHBondContact N-OG 2.83Å; T150-S162 WeakPolarHBondContact O-CB 3.3Å; T150-S162 PolarHBondContact O-N 2.78Å; T150-S162 VanDerWaalsContact O-N 3.16Å; T150-S162 PolarHBondContact O-OG 2.71Å; T150-F165 VanDerWaalsContact C-CD2 3.43Å; T150-F165 WeakPolarHBondContact O-CD2 3.41Å | ||
| 151 | A | 86 | Confident | 84.4 | Confident | 23 Ų | 23 | 31.3 Ų | 31.3 | 19% | 0.19 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | L160 L161 F165 E174 | A151-L160 CarbonylContact C-O 3.57Å; A151-L160 WeakPolarHBondContact CA-O 3.42Å; A151-L161 HydrophobicContact CB-CG 4.35Å; A151-F165 HydrophobicContact CB-CB 3.96Å; A151-F165 HydrophobicContact CB-CD1 4.34Å; A151-F165 HydrophobicContact CB-CD2 3.84Å; A151-F165 HydrophobicContact CB-CE2 4.39Å; A151-F165 HydrophobicContact CB-CG 3.81Å; A151-E174 HydrophobicContact CB-CG 4.48Å |
| 152 | L | 87.9 | Confident | 84.3 | Confident | 16 Ų | 16 | 31.2 Ų | 31.2 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 126.4 | -170.9 | 176.4 | 67.8 | 0 | 0 | 0 | 112.4 | R115 A118 L119 I159 L160 | R115-L152 HydrophobicContact CG-CD1 4.41Å; R115-L152 HydrophobicContact CG-CD2 3.99Å; A118-L152 HydrophobicContact CB-CD2 3.99Å; L119-L152 HydrophobicContact CD2-CD2 3.69Å; L119-L152 HydrophobicContact CG-CD2 3.86Å; L152-I159 CarbonylContact O-C 3.57Å; L152-I159 WeakPolarHBondContact O-CA 3.43Å; L152-L160 PolarHBondContact N-O 2.8Å; L152-L160 PolarHBondContact O-N 3.31Å |
| 153 | F | 85.8 | Confident | 84 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 12% | 0.118 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 139.8 | 159.1 | 175.3 | -100.6 | 0 | 0 | 0 | 111.4 | P155 I159 E174 H177 S178 | F153-P155 HydrophobicContact CE1-CG 4.09Å; F153-I159 HydrophobicContact CD2-CG1 3.85Å; F153-E174 HydrophobicContact CB-CB 4.38Å; F153-E174 WeakPolarHBondContact CB-OE2 3.46Å; F153-E174 PolarHBondContact N-OE2 2.8Å; F153-H177 HydrophobicContact CB-CB 3.72Å; F153-H177 HydrophobicContact CD1-CB 3.52Å; F153-H177 HydrophobicContact CD2-CB 4.38Å; F153-H177 HydrophobicContact CE1-CB 4.24Å; F153-H177 HydrophobicContact CG-CB 3.6Å; F153-S178 VanDerWaalsContact CE2-CB 3.43Å; F153-S178 VanDerWaalsContact CZ-CA 3.48Å |
| 154 | C | 79.3 | Confident | 83.7 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 12% | 0.122 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 138 | 163 | 159.9 | 0 | 0 | 0 | 0 | 110.1 | L119 I156 G158 | L119-C154 HydrophobicContact CD2-CB 3.58Å; C154-I156 CarbonylContact O-C 3.5Å; C154-I156 PolarHBondContact O-N 3.01Å; C154-I156 VanDerWaalsContact O-N 3.12Å; C154-I156 PolarHBondContact SG-N 3.27Å; C154-I156 PolarHBondContact SG-O 3.32Å; C154-I156 VanDerWaalsContact SG-O 3.33Å; C154-G158 PolarHBondContact N-O 2.94Å; C154-G158 WeakPolarHBondContact O-CA 3.22Å; C154-G158 PolarHBondContact O-N 2.62Å; C154-G158 VanDerWaalsContact O-N 3.12Å; C154-G158 VanDerWaalsContact O-O 3.07Å |
| 155 | P | 70 | Confident | 83.6 | Confident | 65 Ų | 65 | 40.7 Ų | 40.7 | 42% | 0.422 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -36.7 | -178.6 | -26.3 | 33.3 | 0 | 0 | 0 | 112.9 | F153 V552 | F153-P155 HydrophobicContact CE1-CG 4.09Å; P155-V552 HydrophobicContact CG-CG1 3.42Å; P155-V552 VanDerWaalsContact CG-CG1 3.42Å |
| 156 | I | 67.6 | Low | 83.7 | Confident | 109 Ų | 109 | 41.7 Ų | 41.7 | 56% | 0.559 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 115.1 | 175.2 | -58 | 173.7 | 0 | 0 | 0 | 107.5 | K122 C154 G158 | K122-I156 WeakPolarHBondContact CE-O 3.32Å; K122-I156 PolarHBondContact NZ-O 2.88Å; C154-I156 CarbonylContact O-C 3.5Å; C154-I156 PolarHBondContact O-N 3.01Å; C154-I156 VanDerWaalsContact O-N 3.12Å; C154-I156 PolarHBondContact SG-N 3.27Å; C154-I156 PolarHBondContact SG-O 3.32Å; C154-I156 VanDerWaalsContact SG-O 3.33Å; I156-G158 PolarHBondContact O-N 2.85Å |
| 157 | R | 70.1 | Confident | 84.5 | Confident | 108 Ų | 108 | 43.8 Ų | 43.8 | 41% | 0.408 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 13.9 | 173.1 | -57.5 | 163.6 | 175.6 | 155.7 | -2.8 | 116.2 | K122 D123 | K122-R157 HydrophobicContact CD-CB 4.35Å; D123-R157 WeakPolarHBondContact OD1-CD 3.26Å; D123-R157 IonicContact OD1-CZ 3.87Å; D123-R157 IonicContact OD1-NE 3.72Å; D123-R157 IonicContact OD1-NH1 3.5Å; D123-R157 PolarHBondContact OD1-NH1 3.42Å; D123-R157 IonicContact OD2-NH1 2.62Å; D123-R157 PolarHBondContact OD2-NH1 3.16Å |
| 158 | G | 85.2 | Confident | 85.6 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 6% | 0.062 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.1 | -136.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K122 V141 C154 I156 | K122-G158 PolarHBondContact NZ-O 3Å; V141-G158 CarbonylContact O-C 3.6Å; V141-G158 WeakPolarHBondContact O-CA 3.35Å; C154-G158 PolarHBondContact N-O 2.94Å; C154-G158 WeakPolarHBondContact O-CA 3.22Å; C154-G158 PolarHBondContact O-N 2.62Å; C154-G158 VanDerWaalsContact O-N 3.12Å; C154-G158 VanDerWaalsContact O-O 3.07Å; I156-G158 PolarHBondContact O-N 2.85Å |
| 159 | I | 92.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 145.7 | -163.2 | -60.7 | 168.6 | 0 | 0 | 0 | 110.8 | W35 V141 V142 T143 L152 F153 L161 L171 E174 I175 | W35-I159 HydrophobicContact CH2-CD1 3.74Å; W35-I159 HydrophobicContact CH2-CG1 4.43Å; W35-I159 HydrophobicContact CZ3-CD1 3.69Å; W35-I159 HydrophobicContact CZ3-CG1 4.17Å; V141-I159 PolarHBondContact O-N 3.04Å; V142-I159 HydrophobicContact CG1-CB 4.31Å; V142-I159 HydrophobicContact CG1-CG2 4.21Å; V142-I159 HydrophobicContact CG2-CB 4.44Å; V142-I159 HydrophobicContact CG2-CD1 4.31Å; T143-I159 PolarHBondContact N-O 2.85Å; L152-I159 CarbonylContact O-C 3.57Å; L152-I159 WeakPolarHBondContact O-CA 3.43Å; F153-I159 HydrophobicContact CD2-CG1 3.85Å; I159-L161 HydrophobicContact CG2-CD1 3.17Å; I159-L171 HydrophobicContact CD1-CD1 4.22Å; I159-L171 HydrophobicContact CG2-CD1 4.19Å; I159-E174 HydrophobicContact CB-CB 4.37Å; I159-E174 VanDerWaalsContact CD1-C 3.49Å; I159-E174 HydrophobicContact CD1-CB 3.8Å; I159-E174 HydrophobicContact CG1-CB 3.9Å; I159-E174 HydrophobicContact CG2-CB 3.56Å; I159-E174 HydrophobicContact CG2-CG 3.99Å; I159-I175 HydrophobicContact CD1-CB 4.21Å; I159-I175 HydrophobicContact CD1-CG1 3.44Å; I159-I175 VanDerWaalsContact CD1-CG1 3.44Å |
| 160 | L | 93.2 | Very high | 87 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.7 | 165.9 | -178.4 | 150.9 | 0 | 0 | 0 | 110.8 | A118 T121 K122 T143 V145 L148 T150 A151 L152 | A118-L160 HydrophobicContact CB-CD2 4.44Å; A118-L160 WeakPolarHBondContact O-CD1 3.05Å; T121-L160 HydrophobicContact CG2-CD1 4.49Å; K122-L160 HydrophobicContact CB-CD1 3.79Å; K122-L160 HydrophobicContact CD-CB 4.29Å; T143-L160 CarbonylContact O-C 3.52Å; T143-L160 WeakPolarHBondContact O-CA 2.98Å; V145-L160 HydrophobicContact CG1-CD1 3.8Å; V145-L160 HydrophobicContact CG1-CD2 3.69Å; V145-L160 HydrophobicContact CG1-CG 3.79Å; L148-L160 HydrophobicContact CD1-CD2 4.26Å; T150-L160 HydrophobicContact CG2-CD2 3.76Å; A151-L160 CarbonylContact C-O 3.57Å; A151-L160 WeakPolarHBondContact CA-O 3.42Å; L152-L160 PolarHBondContact N-O 2.8Å; L152-L160 PolarHBondContact O-N 3.31Å |
| 161 | L | 93.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.2 | 173.6 | -90.4 | 70.6 | 0 | 0 | 0 | 110.5 | W58 T143 F144 V145 A151 I159 F165 F166 L171 E174 | W58-L161 HydrophobicContact CH2-CD2 4.29Å; T143-L161 PolarHBondContact O-N 3.04Å; F144-L161 WeakPolarHBondContact CA-O 3.49Å; F144-L161 HydrophobicContact CD1-CB 3.78Å; F144-L161 HydrophobicContact CE1-CB 3.87Å; F144-L161 HydrophobicContact CE1-CD2 3.84Å; F144-L161 HydrophobicContact CE1-CG 4.45Å; V145-L161 PolarHBondContact N-O 3.08Å; A151-L161 HydrophobicContact CB-CG 4.35Å; I159-L161 HydrophobicContact CG2-CD1 3.17Å; L161-F165 VanDerWaalsContact CD2-O 3.26Å; L161-F165 WeakPolarHBondContact CD2-O 3.41Å; L161-F166 HydrophobicContact CB-CD1 4.27Å; L161-F166 HydrophobicContact CB-CE1 4.27Å; L161-L171 HydrophobicContact CD1-CD1 4.06Å; L161-L171 HydrophobicContact CD2-CB 3.8Å; L161-L171 HydrophobicContact CD2-CD1 4.26Å; L161-L171 HydrophobicContact CD2-CG 4.49Å; L161-E174 HydrophobicContact CD1-CG 4.1Å |
| 162 | S | 90.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -112.4 | 162 | 170.9 | 57.6 | 0 | 0 | 0 | 0 | 111.8 | V145 L148 T150 Q164 F165 F166 | V145-S162 WeakPolarHBondContact O-CA 3.37Å; L148-S162 WeakPolarHBondContact O-CB 3.33Å; L148-S162 PolarHBondContact O-OG 3.03Å; T150-S162 PolarHBondContact N-OG 2.83Å; T150-S162 WeakPolarHBondContact O-CB 3.3Å; T150-S162 PolarHBondContact O-N 2.78Å; T150-S162 VanDerWaalsContact O-N 3.16Å; T150-S162 PolarHBondContact O-OG 2.71Å; S162-Q164 VanDerWaalsContact C-N 3.29Å; S162-Q164 PolarHBondContact O-N 3.35Å; S162-Q164 VanDerWaalsContact O-N 3.07Å; S162-F165 CarbonylContact O-C 3.59Å; S162-F165 WeakPolarHBondContact O-CA 3.39Å; S162-F165 PolarHBondContact O-N 3.35Å; S162-F166 WeakPolarHBondContact O-CD1 3.35Å; S162-F166 WeakPolarHBondContact O-CE1 3.47Å; S162-F166 PolarHBondContact O-N 3.46Å | ||
| 163 | P | 87.8 | Confident | 88.6 | Confident | 43 Ų | 43 | 29.5 Ų | 29.5 | 28% | 0.279 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -50.4 | -39.2 | -167.4 | -37.2 | 39.4 | 0 | 0 | 0 | 116.9 | V49 V145 D146 F165 F166 | V49-P163 HydrophobicContact CG2-CB 4.17Å; V49-P163 HydrophobicContact CG2-CG 4.18Å; V145-P163 VanDerWaalsContact O-CD 3.3Å; V145-P163 WeakPolarHBondContact O-CD 3.5Å; D146-P163 HydrophobicContact CB-CG 4.21Å; D146-P163 WeakPolarHBondContact OD1-CG 3.25Å; P163-F165 PolarHBondContact O-N 2.58Å; P163-F165 VanDerWaalsContact O-N 3.15Å; P163-F166 HydrophobicContact CB-CD2 4.46Å; P163-F166 HydrophobicContact CB-CE2 4.25Å; P163-F166 HydrophobicContact CB-CZ 4.37Å; P163-F166 HydrophobicContact CG-CE1 4.42Å; P163-F166 HydrophobicContact CG-CE2 4.04Å; P163-F166 HydrophobicContact CG-CZ 3.87Å; P163-F166 WeakPolarHBondContact O-CB 3.38Å; P163-F166 PolarHBondContact O-N 2.62Å; P163-F166 VanDerWaalsContact O-N 3.08Å |
| 164 | Q | 87.6 | Confident | 88.9 | Confident | 94 Ų | 94 | 29.1 Ų | 29.1 | 44% | 0.439 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -64 | -17.9 | 178.2 | 68.3 | -164.5 | 43.3 | 0 | 0 | 113.4 | R149 S162 M167 | R149-Q164 VanDerWaalsContact C-NE2 3.27Å; R149-Q164 VanDerWaalsContact CG-OE1 3.27Å; R149-Q164 PolarHBondContact O-NE2 3.46Å; S162-Q164 VanDerWaalsContact C-N 3.29Å; S162-Q164 PolarHBondContact O-N 3.35Å; S162-Q164 VanDerWaalsContact O-N 3.07Å; Q164-M167 WeakPolarHBondContact O-CE 3.49Å |
| 165 | F | 91.6 | Very high | 89.6 | Confident | 64 Ų | 64 | 28.2 Ų | 28.2 | 28% | 0.281 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -111.1 | 14.8 | 177 | -59.3 | -68.1 | 0 | 0 | 0 | 112.8 | R149 T150 A151 L161 S162 P163 M167 A170 | R149-F165 WeakPolarHBondContact O-CE2 3.16Å; T150-F165 VanDerWaalsContact C-CD2 3.43Å; T150-F165 WeakPolarHBondContact O-CD2 3.41Å; A151-F165 HydrophobicContact CB-CB 3.96Å; A151-F165 HydrophobicContact CB-CD1 4.34Å; A151-F165 HydrophobicContact CB-CD2 3.84Å; A151-F165 HydrophobicContact CB-CE2 4.39Å; A151-F165 HydrophobicContact CB-CG 3.81Å; L161-F165 VanDerWaalsContact CD2-O 3.26Å; L161-F165 WeakPolarHBondContact CD2-O 3.41Å; S162-F165 CarbonylContact O-C 3.59Å; S162-F165 WeakPolarHBondContact O-CA 3.39Å; S162-F165 PolarHBondContact O-N 3.35Å; P163-F165 PolarHBondContact O-N 2.58Å; P163-F165 VanDerWaalsContact O-N 3.15Å; F165-M167 PolarHBondContact O-N 3.27Å; F165-A170 HydrophobicContact CB-CB 4.07Å; F165-A170 WeakPolarHBondContact O-CB 3.18Å |
| 166 | F | 92.1 | Very high | 90.7 | Very high | 22 Ų | 22 | 25.1 Ų | 25.1 | 10% | 0.096 | 12% | 0.122 | C | C | . | . | trans | -72.5 | 66.5 | 171 | -68.2 | 2.6 | 0 | 0 | 0 | 110 | F55 W58 F144 L161 S162 P163 | F55-F166 HydrophobicContact CE1-CD2 4.33Å; F55-F166 HydrophobicContact CE1-CE2 4.26Å; F55-F166 HydrophobicContact CZ-CD2 4.08Å; F55-F166 AromaticContact CZ-CE2 3.74Å; F55-F166 HydrophobicContact CZ-CE2 3.74Å; F55-F166 HydrophobicContact CZ-CZ 4.26Å; W58-F166 HydrophobicContact CH2-CB 4.49Å; W58-F166 HydrophobicContact CZ3-CB 4.45Å; F144-F166 HydrophobicContact CB-CE1 4.16Å; F144-F166 HydrophobicContact CB-CZ 4.04Å; F144-F166 AromaticContact CD1-CD1 3.75Å; F144-F166 HydrophobicContact CD1-CD1 3.75Å; F144-F166 AromaticContact CD1-CE1 3.46Å; F144-F166 HydrophobicContact CD1-CE1 3.46Å; F144-F166 VanDerWaalsContact CD1-CE1 3.46Å; F144-F166 HydrophobicContact CD1-CZ 4.03Å; F144-F166 HydrophobicContact CE1-CD1 4.17Å; F144-F166 HydrophobicContact CE1-CE1 4.31Å; F144-F166 HydrophobicContact CG-CE1 4.28Å; F144-F166 HydrophobicContact CG-CZ 4.49Å; L161-F166 HydrophobicContact CB-CD1 4.27Å; L161-F166 HydrophobicContact CB-CE1 4.27Å; S162-F166 WeakPolarHBondContact O-CD1 3.35Å; S162-F166 WeakPolarHBondContact O-CE1 3.47Å; S162-F166 PolarHBondContact O-N 3.46Å; P163-F166 HydrophobicContact CB-CD2 4.46Å; P163-F166 HydrophobicContact CB-CE2 4.25Å; P163-F166 HydrophobicContact CB-CZ 4.37Å; P163-F166 HydrophobicContact CG-CE1 4.42Å; P163-F166 HydrophobicContact CG-CE2 4.04Å; P163-F166 HydrophobicContact CG-CZ 3.87Å; P163-F166 WeakPolarHBondContact O-CB 3.38Å; P163-F166 PolarHBondContact O-N 2.62Å; P163-F166 VanDerWaalsContact O-N 3.08Å | ||
| 167 | M | 94.7 | Very high | 91.7 | Very high | 44 Ų | 44 | 21 Ų | 21 | 22% | 0.217 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -142.1 | 150.9 | 179.6 | 67.5 | -177.5 | 79.4 | 0 | 0 | 110.1 | W58 Q164 F165 S169 A170 L171 Y220 L222 | W58-M167 VanDerWaalsContact CZ2-C 3.48Å; Q164-M167 WeakPolarHBondContact O-CE 3.49Å; F165-M167 PolarHBondContact O-N 3.27Å; M167-S169 PolarHBondContact O-N 3.15Å; M167-A170 HydrophobicContact CG-CB 3.7Å; M167-A170 PolarHBondContact O-N 3.29Å; M167-L171 PolarHBondContact O-N 3.38Å; M167-L171 VanDerWaalsContact O-N 3.13Å; M167-Y220 WeakPolarHBondContact CA-O 3.45Å; M167-L222 HydrophobicContact SD-CB 3.98Å; M167-L222 HydrophobicContact SD-CD1 4.11Å; M167-L222 HydrophobicContact SD-CG 4.31Å |
| 168 | S | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.2 | -36.8 | -170.1 | -52.3 | 0 | 0 | 0 | 0 | 112.2 | W58 G66 A170 L171 T172 Y220 L222 | W58-S168 PolarHBondContact NE1-OG 3.27Å; G66-S168 VanDerWaalsContact O-CB 3.23Å; G66-S168 WeakPolarHBondContact O-CB 3.23Å; G66-S168 PolarHBondContact O-OG 3.24Å; S168-A170 VanDerWaalsContact C-N 3.31Å; S168-A170 PolarHBondContact O-N 2.85Å; S168-L171 PolarHBondContact O-N 2.8Å; S168-T172 VanDerWaalsContact O-CB 3.31Å; S168-T172 WeakPolarHBondContact O-CB 3.5Å; S168-T172 VanDerWaalsContact O-CG2 3.23Å; S168-T172 WeakPolarHBondContact O-CG2 3.46Å; S168-T172 PolarHBondContact O-N 2.96Å; S168-T172 PolarHBondContact O-OG1 2.79Å; S168-Y220 PolarHBondContact N-O 3.44Å; S168-Y220 VanDerWaalsContact N-O 3.15Å; S168-Y220 WeakPolarHBondContact OG-CB 3.48Å; S168-Y220 PolarHBondContact OG-O 3.26Å; S168-L222 CarbonylContact C-O 3.51Å; S168-L222 WeakPolarHBondContact CA-O 3.45Å; S168-L222 WeakPolarHBondContact CB-O 3.36Å; S168-L222 PolarHBondContact N-O 3.46Å |
| 169 | S | 96.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 16.3 Ų | 16.3 | 4% | 0.035 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | 173.9 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | M167 T172 H173 L222 | M167-S169 PolarHBondContact O-N 3.15Å; S169-T172 PolarHBondContact O-OG1 3.33Å; S169-H173 WeakPolarHBondContact O-CB 3.36Å; S169-H173 PolarHBondContact O-N 2.62Å; S169-H173 VanDerWaalsContact O-N 3.1Å; S169-L222 PolarHBondContact N-O 2.9Å; S169-L222 PolarHBondContact OG-O 2.71Å |
| 170 | A | 95.8 | Very high | 92 | Very high | 11 Ų | 11 | 18.3 Ų | 18.3 | 9% | 0.091 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.4 | -50.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F165 M167 S168 T172 H173 E174 | F165-A170 HydrophobicContact CB-CB 4.07Å; F165-A170 WeakPolarHBondContact O-CB 3.18Å; M167-A170 HydrophobicContact CG-CB 3.7Å; M167-A170 PolarHBondContact O-N 3.29Å; S168-A170 VanDerWaalsContact C-N 3.31Å; S168-A170 PolarHBondContact O-N 2.85Å; A170-T172 PolarHBondContact O-N 3.21Å; A170-H173 WeakPolarHBondContact O-CB 3.08Å; A170-H173 PolarHBondContact O-N 3.34Å; A170-E174 WeakPolarHBondContact O-CG 3.3Å; A170-E174 PolarHBondContact O-N 2.82Å |
| 171 | L | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | -177.5 | -178 | 52.2 | 0 | 0 | 0 | 112.9 | W58 F59 I68 V142 F144 I159 L161 M167 S168 H173 E174 I175 | W58-L171 HydrophobicContact CH2-CB 4.22Å; W58-L171 HydrophobicContact CH2-CD2 3.95Å; W58-L171 HydrophobicContact CZ2-CB 4.04Å; W58-L171 HydrophobicContact CZ2-CD2 3.96Å; W58-L171 HydrophobicContact CZ3-CD2 4.35Å; F59-L171 HydrophobicContact CD2-CD2 4.18Å; F59-L171 HydrophobicContact CE2-CD2 4.28Å; I68-L171 HydrophobicContact CD1-CB 3.95Å; I68-L171 HydrophobicContact CD1-CD2 3.74Å; I68-L171 HydrophobicContact CD1-CG 3.91Å; I68-L171 HydrophobicContact CG1-CD2 3.72Å; I68-L171 HydrophobicContact CG1-CG 4.3Å; V142-L171 HydrophobicContact CG1-CD1 3.63Å; V142-L171 HydrophobicContact CG2-CD1 4.18Å; F144-L171 HydrophobicContact CZ-CD2 3.9Å; I159-L171 HydrophobicContact CD1-CD1 4.22Å; I159-L171 HydrophobicContact CG2-CD1 4.19Å; L161-L171 HydrophobicContact CD1-CD1 4.06Å; L161-L171 HydrophobicContact CD2-CB 3.8Å; L161-L171 HydrophobicContact CD2-CD1 4.26Å; L161-L171 HydrophobicContact CD2-CG 4.49Å; M167-L171 PolarHBondContact O-N 3.38Å; M167-L171 VanDerWaalsContact O-N 3.13Å; S168-L171 PolarHBondContact O-N 2.8Å; L171-H173 VanDerWaalsContact C-N 3.3Å; L171-H173 PolarHBondContact O-N 2.99Å; L171-E174 PolarHBondContact O-N 2.94Å; L171-I175 HydrophobicContact CD1-CD1 4.07Å; L171-I175 HydrophobicContact CD1-CG1 4.17Å; L171-I175 HydrophobicContact CG-CD1 3.98Å; L171-I175 VanDerWaalsContact O-CG1 3.32Å; L171-I175 WeakPolarHBondContact O-CG1 3.16Å; L171-I175 PolarHBondContact O-N 3.21Å |
| 172 | T | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.7 | -36.5 | 176.4 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | I68 Y71 F72 S168 S169 A170 I175 T176 L207 | I68-T172 HydrophobicContact CD1-CG2 3.86Å; Y71-T172 HydrophobicContact CD1-CG2 3.41Å; Y71-T172 VanDerWaalsContact CD1-CG2 3.41Å; Y71-T172 HydrophobicContact CD2-CG2 4.25Å; Y71-T172 HydrophobicContact CE1-CG2 3.88Å; Y71-T172 HydrophobicContact CG-CG2 3.65Å; F72-T172 HydrophobicContact CD2-CG2 4.36Å; F72-T172 HydrophobicContact CE2-CG2 3.78Å; F72-T172 HydrophobicContact CZ-CG2 4.28Å; S168-T172 VanDerWaalsContact O-CB 3.31Å; S168-T172 WeakPolarHBondContact O-CB 3.5Å; S168-T172 VanDerWaalsContact O-CG2 3.23Å; S168-T172 WeakPolarHBondContact O-CG2 3.46Å; S168-T172 PolarHBondContact O-N 2.96Å; S168-T172 PolarHBondContact O-OG1 2.79Å; S169-T172 PolarHBondContact O-OG1 3.33Å; A170-T172 PolarHBondContact O-N 3.21Å; T172-I175 PolarHBondContact O-N 2.66Å; T172-T176 WeakPolarHBondContact O-CB 3.25Å; T172-T176 PolarHBondContact O-N 3.4Å; T172-T176 PolarHBondContact O-OG1 3.45Å; T172-L207 WeakPolarHBondContact OG1-CD1 3.32Å |
| 173 | H | 95.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 20 Ų | 20 | 1% | 0.014 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.6 | -51 | 171.7 | 178.6 | 84.8 | 0 | 0 | 0 | 112 | S169 A170 L171 I175 T176 H177 H183 L207 M208 T210 | S169-H173 WeakPolarHBondContact O-CB 3.36Å; S169-H173 PolarHBondContact O-N 2.62Å; S169-H173 VanDerWaalsContact O-N 3.1Å; A170-H173 WeakPolarHBondContact O-CB 3.08Å; A170-H173 PolarHBondContact O-N 3.34Å; L171-H173 VanDerWaalsContact C-N 3.3Å; L171-H173 PolarHBondContact O-N 2.99Å; H173-I175 VanDerWaalsContact C-N 3.33Å; H173-I175 PolarHBondContact O-N 3.16Å; H173-T176 WeakPolarHBondContact O-CA 3.48Å; H173-T176 WeakPolarHBondContact O-CB 3.42Å; H173-T176 PolarHBondContact O-N 3.16Å; H173-H177 AromaticContact CD2-CD2 3.74Å; H173-H177 AromaticContact CD2-NE2 3.65Å; H173-H177 AromaticContact CE1-NE2 3.63Å; H173-H177 AromaticContact NE2-CD2 3.58Å; H173-H177 AromaticContact NE2-CE1 3.87Å; H173-H177 AromaticContact NE2-NE2 2.97Å; H173-H177 PolarHBondContact NE2-NE2 2.97Å; H173-H177 PolarHBondContact O-N 3.03Å; H173-H183 AromaticContact CE1-CD2 3.85Å; H173-H183 AromaticContact NE2-CD2 3.92Å; H173-L207 HydrophobicContact CB-CG 4.35Å; H173-L207 PolarHBondContact ND1-O 3.21Å; H173-L207 VanDerWaalsContact ND1-O 3.11Å; H173-M208 VanDerWaalsContact CE1-CE 3.46Å; H173-M208 WeakPolarHBondContact CE1-CE 3.14Å; H173-T210 HydrophobicContact CB-CG2 4.25Å; H173-T210 WeakPolarHBondContact CD2-CG2 3.01Å; H173-T210 WeakPolarHBondContact CE1-CG2 3.41Å; H173-T210 WeakPolarHBondContact ND1-CG2 3.3Å; H173-T210 WeakPolarHBondContact NE2-CG2 2.99Å |
| 174 | E | 94 | Very high | 91.6 | Very high | 18 Ų | 18 | 18 Ų | 18 | 8% | 0.084 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.1 | -33.4 | 179.9 | -60.6 | -51.8 | 156.2 | 0 | 0 | 113 | A151 F153 I159 L161 A170 L171 T176 H177 | A151-E174 HydrophobicContact CB-CG 4.48Å; F153-E174 HydrophobicContact CB-CB 4.38Å; F153-E174 WeakPolarHBondContact CB-OE2 3.46Å; F153-E174 PolarHBondContact N-OE2 2.8Å; I159-E174 HydrophobicContact CB-CB 4.37Å; I159-E174 VanDerWaalsContact CD1-C 3.49Å; I159-E174 HydrophobicContact CD1-CB 3.8Å; I159-E174 HydrophobicContact CG1-CB 3.9Å; I159-E174 HydrophobicContact CG2-CB 3.56Å; I159-E174 HydrophobicContact CG2-CG 3.99Å; L161-E174 HydrophobicContact CD1-CG 4.1Å; A170-E174 WeakPolarHBondContact O-CG 3.3Å; A170-E174 PolarHBondContact O-N 2.82Å; L171-E174 PolarHBondContact O-N 2.94Å; E174-T176 VanDerWaalsContact C-N 3.3Å; E174-H177 PolarHBondContact O-N 2.89Å; E174-H177 IonicContact OE2-CD2 3.72Å |
| 175 | I | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.2 | -38.5 | 171.5 | -70.9 | 169.6 | 0 | 0 | 0 | 110.3 | W35 F59 I68 F72 Y80 I159 L171 T172 H173 H177 S178 F179 | W35-I175 HydrophobicContact CH2-CG1 4.16Å; W35-I175 HydrophobicContact CZ2-CG1 4.14Å; W35-I175 HydrophobicContact CZ2-CG2 4.02Å; F59-I175 HydrophobicContact CE2-CD1 4.08Å; F59-I175 HydrophobicContact CZ-CD1 4.23Å; I68-I175 HydrophobicContact CG2-CD1 3.61Å; F72-I175 HydrophobicContact CD2-CG2 4.45Å; F72-I175 HydrophobicContact CE1-CG2 4.17Å; F72-I175 HydrophobicContact CE2-CB 3.8Å; F72-I175 HydrophobicContact CE2-CD1 3.82Å; F72-I175 HydrophobicContact CE2-CG1 4.41Å; F72-I175 HydrophobicContact CE2-CG2 3.53Å; F72-I175 HydrophobicContact CZ-CB 3.68Å; F72-I175 HydrophobicContact CZ-CG2 3.36Å; Y80-I175 HydrophobicContact CE1-CG2 4.47Å; I159-I175 HydrophobicContact CD1-CB 4.21Å; I159-I175 HydrophobicContact CD1-CG1 3.44Å; I159-I175 VanDerWaalsContact CD1-CG1 3.44Å; L171-I175 HydrophobicContact CD1-CD1 4.07Å; L171-I175 HydrophobicContact CD1-CG1 4.17Å; L171-I175 HydrophobicContact CG-CD1 3.98Å; L171-I175 VanDerWaalsContact O-CG1 3.32Å; L171-I175 WeakPolarHBondContact O-CG1 3.16Å; L171-I175 PolarHBondContact O-N 3.21Å; T172-I175 PolarHBondContact O-N 2.66Å; H173-I175 VanDerWaalsContact C-N 3.33Å; H173-I175 PolarHBondContact O-N 3.16Å; I175-H177 VanDerWaalsContact C-N 3.32Å; I175-H177 PolarHBondContact O-N 3.02Å; I175-S178 WeakPolarHBondContact O-CA 3.46Å; I175-S178 WeakPolarHBondContact O-CB 3.5Å; I175-S178 PolarHBondContact O-N 2.87Å; I175-S178 PolarHBondContact O-OG 2.92Å; I175-F179 HydrophobicContact CG2-CE2 4.19Å; I175-F179 HydrophobicContact CG2-CZ 3.75Å |
| 176 | T | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.2 | -34.1 | -179.6 | -56 | 0 | 0 | 0 | 0 | 112 | T172 H173 E174 S178 F179 I181 M208 L227 | T172-T176 WeakPolarHBondContact O-CB 3.25Å; T172-T176 PolarHBondContact O-N 3.4Å; T172-T176 PolarHBondContact O-OG1 3.45Å; H173-T176 WeakPolarHBondContact O-CA 3.48Å; H173-T176 WeakPolarHBondContact O-CB 3.42Å; H173-T176 PolarHBondContact O-N 3.16Å; E174-T176 VanDerWaalsContact C-N 3.3Å; T176-S178 PolarHBondContact O-N 2.83Å; T176-F179 HydrophobicContact CG2-CD2 4.18Å; T176-F179 WeakPolarHBondContact O-CB 3.46Å; T176-F179 PolarHBondContact O-N 3.14Å; T176-I181 HydrophobicContact CG2-CB 4.04Å; T176-I181 HydrophobicContact CG2-CD1 3.78Å; T176-I181 HydrophobicContact CG2-CG1 4.48Å; T176-I181 HydrophobicContact CG2-CG2 4.2Å; T176-M208 VanDerWaalsContact CB-SD 3.55Å; T176-M208 HydrophobicContact CG2-CE 4.21Å; T176-M208 HydrophobicContact CG2-CG 4.37Å; T176-M208 HydrophobicContact CG2-SD 3.36Å; T176-M208 WeakPolarHBondContact CG2-SD 3.45Å; T176-L227 HydrophobicContact CG2-CD1 4.21Å; T176-L227 HydrophobicContact CG2-CD2 4.01Å |
| 177 | H | 89.4 | Confident | 92 | Very high | 22 Ų | 22 | 13.3 Ų | 13.3 | 10% | 0.102 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.4 | -28.4 | 168.2 | -78.5 | -47.6 | 0 | 0 | 0 | 113.5 | F153 H173 E174 I175 F179 H180 I181 H183 M208 | F153-H177 HydrophobicContact CB-CB 3.72Å; F153-H177 HydrophobicContact CD1-CB 3.52Å; F153-H177 HydrophobicContact CD2-CB 4.38Å; F153-H177 HydrophobicContact CE1-CB 4.24Å; F153-H177 HydrophobicContact CG-CB 3.6Å; H173-H177 AromaticContact CD2-CD2 3.74Å; H173-H177 AromaticContact CD2-NE2 3.65Å; H173-H177 AromaticContact CE1-NE2 3.63Å; H173-H177 AromaticContact NE2-CD2 3.58Å; H173-H177 AromaticContact NE2-CE1 3.87Å; H173-H177 AromaticContact NE2-NE2 2.97Å; H173-H177 PolarHBondContact NE2-NE2 2.97Å; H173-H177 PolarHBondContact O-N 3.03Å; E174-H177 PolarHBondContact O-N 2.89Å; E174-H177 IonicContact OE2-CD2 3.72Å; I175-H177 VanDerWaalsContact C-N 3.32Å; I175-H177 PolarHBondContact O-N 3.02Å; H177-F179 PolarHBondContact O-N 3.3Å; H177-H180 PolarHBondContact O-N 2.97Å; H177-I181 PolarHBondContact ND1-O 3.18Å; H177-H183 AromaticContact CE1-CD2 3.44Å; H177-H183 PolarHBondContact CE1-CD2 3.41Å; H177-H183 VanDerWaalsContact CE1-CD2 3.44Å; H177-H183 AromaticContact CE1-NE2 3.33Å; H177-H183 PolarHBondContact CE1-NE2 3.31Å; H177-H183 VanDerWaalsContact CE1-NE2 3.33Å; H177-H183 AromaticContact NE2-CD2 3.64Å; H177-H183 AromaticContact NE2-NE2 3.3Å; H177-H183 PolarHBondContact NE2-NE2 2.7Å; H177-M208 VanDerWaalsContact CE1-CE 3.41Å; H177-M208 WeakPolarHBondContact CE1-CE 3.4Å; H177-M208 WeakPolarHBondContact ND1-CE 3.42Å |
| 178 | S | 85.6 | Confident | 91.8 | Very high | 13 Ų | 13 | 15.8 Ų | 15.8 | 9% | 0.091 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.7 | 174.9 | 90.2 | 0 | 0 | 0 | 0 | 114.3 | K140 F153 I175 T176 H180 | K140-S178 PolarHBondContact NZ-OG 2.95Å; F153-S178 VanDerWaalsContact CE2-CB 3.43Å; F153-S178 VanDerWaalsContact CZ-CA 3.48Å; I175-S178 WeakPolarHBondContact O-CA 3.46Å; I175-S178 WeakPolarHBondContact O-CB 3.5Å; I175-S178 PolarHBondContact O-N 2.87Å; I175-S178 PolarHBondContact O-OG 2.92Å; T176-S178 PolarHBondContact O-N 2.83Å; S178-H180 VanDerWaalsContact C-N 3.3Å |
| 179 | F | 85.1 | Confident | 91.6 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 10.2 | 172.5 | -46.8 | -41.3 | 0 | 0 | 0 | 112.9 | Q29 F72 Y80 I175 T176 H177 I181 L235 W237 | Q29-F179 HydrophobicContact CG-CB 4.25Å; Q29-F179 HydrophobicContact CG-CD1 3.81Å; Q29-F179 HydrophobicContact CG-CE1 4.45Å; Q29-F179 HydrophobicContact CG-CG 4.07Å; F72-F179 AromaticContact CE1-CE2 3.89Å; F72-F179 HydrophobicContact CE1-CE2 3.89Å; F72-F179 HydrophobicContact CE1-CZ 4.38Å; F72-F179 HydrophobicContact CZ-CE2 4.46Å; Y80-F179 AromaticContact CD1-CZ 3.98Å; Y80-F179 HydrophobicContact CD1-CZ 3.98Å; Y80-F179 HydrophobicContact CE1-CE1 4.19Å; Y80-F179 HydrophobicContact CE1-CE2 4.42Å; Y80-F179 AromaticContact CE1-CZ 3.48Å; Y80-F179 HydrophobicContact CE1-CZ 3.48Å; Y80-F179 VanDerWaalsContact CE1-CZ 3.48Å; Y80-F179 HydrophobicContact CE2-CE1 4Å; Y80-F179 HydrophobicContact CE2-CZ 4.1Å; Y80-F179 AromaticContact CZ-CE1 3.77Å; Y80-F179 AromaticContact CZ-CZ 3.54Å; I175-F179 HydrophobicContact CG2-CE2 4.19Å; I175-F179 HydrophobicContact CG2-CZ 3.75Å; T176-F179 HydrophobicContact CG2-CD2 4.18Å; T176-F179 WeakPolarHBondContact O-CB 3.46Å; T176-F179 PolarHBondContact O-N 3.14Å; H177-F179 PolarHBondContact O-N 3.3Å; F179-I181 HydrophobicContact CB-CD1 4.47Å; F179-L235 HydrophobicContact CB-CD2 3.54Å; F179-L235 HydrophobicContact CD2-CD1 4.4Å; F179-L235 HydrophobicContact CD2-CD2 3.82Å; F179-L235 HydrophobicContact CG-CD2 3.85Å; F179-W237 HydrophobicContact CD2-CH2 4.5Å; F179-W237 AromaticContact CE2-CH2 3.96Å; F179-W237 HydrophobicContact CE2-CH2 3.96Å; F179-W237 HydrophobicContact CE2-CZ2 4.24Å |
| 180 | H | 81.9 | Confident | 91.4 | Very high | 43 Ų | 43 | 26.9 Ų | 26.9 | 20% | 0.199 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 48.9 | -173.5 | -40 | -78.3 | 0 | 0 | 0 | 111.7 | H177 S178 F549 N550 M555 | H177-H180 PolarHBondContact O-N 2.97Å; S178-H180 VanDerWaalsContact C-N 3.3Å; H180-F549 CarbonylContact C-O 3.55Å; H180-F549 CarbonylContact O-C 3.43Å; H180-F549 WeakPolarHBondContact O-CA 3.36Å; H180-F549 WeakPolarHBondContact O-CB 3.05Å; H180-N550 HydrophobicContact CB-CB 4.33Å; H180-N550 WeakPolarHBondContact CB-OD1 3.34Å; H180-N550 PolarHBondContact O-N 3.3Å; H180-M555 HydrophobicContact CB-CE 3.93Å; H180-M555 WeakPolarHBondContact CD2-CE 3.38Å |
| 181 | I | 86.7 | Confident | 91.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -107.1 | 128.9 | 168.4 | -69.2 | 171.9 | 0 | 0 | 0 | 108.4 | T176 H177 F179 M208 H231 Y234 L235 F549 | T176-I181 HydrophobicContact CG2-CB 4.04Å; T176-I181 HydrophobicContact CG2-CD1 3.78Å; T176-I181 HydrophobicContact CG2-CG1 4.48Å; T176-I181 HydrophobicContact CG2-CG2 4.2Å; H177-I181 PolarHBondContact ND1-O 3.18Å; F179-I181 HydrophobicContact CB-CD1 4.47Å; I181-M208 HydrophobicContact CG2-CE 4.04Å; I181-M208 HydrophobicContact CG2-CG 3.68Å; I181-M208 HydrophobicContact CG2-SD 4.15Å; I181-H231 HydrophobicContact CD1-CB 4.25Å; I181-Y234 HydrophobicContact CD1-CD1 4.15Å; I181-Y234 HydrophobicContact CD1-CE1 4.49Å; I181-Y234 HydrophobicContact CG1-CD1 3.92Å; I181-Y234 HydrophobicContact CG1-CE1 3.92Å; I181-L235 HydrophobicContact CD1-CD1 3.57Å; I181-L235 HydrophobicContact CD1-CD2 3.69Å; I181-L235 HydrophobicContact CD1-CG 3.61Å; I181-F549 CarbonylContact C-O 3.5Å; I181-F549 WeakPolarHBondContact CA-O 3.41Å; I181-F549 HydrophobicContact CB-CB 4.48Å; I181-F549 HydrophobicContact CG1-CB 4.18Å | ||
| 182 | G | 86.8 | Confident | 91.1 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | trans | -84.9 | -173.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M208 F549 | G182-M208 WeakPolarHBondContact O-CB 3.36Å; G182-F549 PolarHBondContact N-O 3Å | ||
| 183 | H | 91 | Very high | 90.7 | Very high | 34 Ų | 34 | 37 Ų | 37 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | trans | -66.7 | 154.9 | 174.4 | -49.5 | 131.2 | 0 | 0 | 0 | 111.5 | H173 H177 F185 E200 Y201 M208 | H173-H183 AromaticContact CE1-CD2 3.85Å; H173-H183 AromaticContact NE2-CD2 3.92Å; H177-H183 AromaticContact CE1-CD2 3.44Å; H177-H183 PolarHBondContact CE1-CD2 3.41Å; H177-H183 VanDerWaalsContact CE1-CD2 3.44Å; H177-H183 AromaticContact CE1-NE2 3.33Å; H177-H183 PolarHBondContact CE1-NE2 3.31Å; H177-H183 VanDerWaalsContact CE1-NE2 3.33Å; H177-H183 AromaticContact NE2-CD2 3.64Å; H177-H183 AromaticContact NE2-NE2 3.3Å; H177-H183 PolarHBondContact NE2-NE2 2.7Å; H183-F185 HydrophobicContact CB-CE2 4.41Å; H183-F185 WeakPolarHBondContact O-CD2 3.41Å; H183-F185 WeakPolarHBondContact O-CE2 3.39Å; H183-E200 HydrophobicContact CB-CG 3.92Å; H183-E200 IonicContact CE1-OE1 2.71Å; H183-E200 IonicContact CG-OE1 3.71Å; H183-E200 IonicContact ND1-OE1 2.83Å; H183-E200 PolarHBondContact ND1-OE1 3.44Å; H183-Y201 HydrophobicContact CB-CD1 4.3Å; H183-Y201 HydrophobicContact CB-CE1 4.2Å; H183-Y201 AromaticContact CD2-CE1 3.37Å; H183-Y201 WeakPolarHBondContact CD2-CE1 3.27Å; H183-Y201 AromaticContact CD2-CZ 3.66Å; H183-Y201 AromaticContact CE1-CE1 3.92Å; H183-Y201 AromaticContact CE1-CZ 3.36Å; H183-Y201 PolarHBondContact CE1-OH 2.57Å; H183-Y201 AromaticContact CG-CE1 3.51Å; H183-Y201 AromaticContact CG-CZ 3.58Å; H183-Y201 AromaticContact ND1-CE1 3.84Å; H183-Y201 AromaticContact ND1-CE2 3.75Å; H183-Y201 AromaticContact ND1-CZ 3.37Å; H183-Y201 PolarHBondContact ND1-OH 3.28Å; H183-Y201 AromaticContact NE2-CE1 3.68Å; H183-Y201 AromaticContact NE2-CZ 3.56Å; H183-Y201 PolarHBondContact NE2-OH 3.47Å; H183-Y201 VanDerWaalsContact NE2-OH 3.13Å; H183-M208 WeakPolarHBondContact CA-O 3.4Å | ||
| 184 | S | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -85.6 | 157.5 | 167.3 | 41.5 | 0 | 0 | 0 | 0 | 111.2 | Y201 D206 M208 S209 | S184-Y201 PolarHBondContact O-N 2.94Å; S184-D206 WeakPolarHBondContact CB-OD2 2.99Å; S184-D206 PolarHBondContact OG-OD2 2.96Å; S184-M208 PolarHBondContact N-O 2.6Å; S184-M208 VanDerWaalsContact OG-C 3.28Å; S184-S209 PolarHBondContact OG-N 2.87Å; S184-S209 PolarHBondContact OG-OG 3.45Å | ||
| 185 | F | 94 | Very high | 89.7 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 163.5 | -173.9 | -72.6 | -103.8 | 0 | 0 | 0 | 111.6 | H183 N197 G199 E200 Y319 S320 V321 L322 | H183-F185 HydrophobicContact CB-CE2 4.41Å; H183-F185 WeakPolarHBondContact O-CD2 3.41Å; H183-F185 WeakPolarHBondContact O-CE2 3.39Å; F185-N197 HydrophobicContact CE1-CB 4.17Å; F185-G199 CarbonylContact C-O 3.55Å; F185-G199 WeakPolarHBondContact CA-O 3.38Å; F185-E200 VanDerWaalsContact CD1-CA 3.5Å; F185-E200 HydrophobicContact CD1-CB 3.91Å; F185-E200 HydrophobicContact CD1-CG 4.37Å; F185-E200 HydrophobicContact CE1-CB 3.42Å; F185-E200 VanDerWaalsContact CE1-CB 3.42Å; F185-E200 HydrophobicContact CE1-CG 3.66Å; F185-E200 HydrophobicContact CE2-CG 4.13Å; F185-E200 HydrophobicContact CZ-CB 3.87Å; F185-E200 HydrophobicContact CZ-CG 3.51Å; F185-Y319 AromaticContact CD2-CD1 3.88Å; F185-Y319 HydrophobicContact CD2-CD1 3.88Å; F185-Y319 HydrophobicContact CD2-CG 4.19Å; F185-Y319 AromaticContact CE2-CD1 3.36Å; F185-Y319 HydrophobicContact CE2-CD1 3.36Å; F185-Y319 AromaticContact CE2-CE1 3.87Å; F185-Y319 HydrophobicContact CE2-CE1 3.87Å; F185-Y319 AromaticContact CE2-CG 3.94Å; F185-Y319 HydrophobicContact CE2-CG 3.94Å; F185-Y319 HydrophobicContact CZ-CD1 4.29Å; F185-Y319 HydrophobicContact CZ-CE1 4.5Å; F185-S320 PolarHBondContact N-O 2.92Å; F185-V321 HydrophobicContact CB-CB 4.45Å; F185-V321 HydrophobicContact CB-CG1 4.44Å; F185-V321 HydrophobicContact CB-CG2 4.01Å; F185-V321 CarbonylContact O-C 3.55Å; F185-V321 WeakPolarHBondContact O-CA 3.44Å; F185-L322 PolarHBondContact O-N 3.24Å |
| 186 | S | 93.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 166.6 | 158.3 | 83.3 | 0 | 0 | 0 | 0 | 111.5 | R188 G199 D202 L322 | S186-R188 PolarHBondContact O-N 2.87Å; S186-R188 WeakPolarHBondContact OG-CB 3.22Å; S186-R188 PolarHBondContact OG-N 2.82Å; S186-R188 VanDerWaalsContact OG-N 3.1Å; S186-G199 PolarHBondContact N-O 2.81Å; S186-G199 WeakPolarHBondContact O-CA 3.31Å; S186-D202 WeakPolarHBondContact CB-O 3.32Å; S186-D202 WeakPolarHBondContact CB-OD2 3.47Å; S186-D202 WeakPolarHBondContact OG-CB 3.39Å; S186-D202 PolarHBondContact OG-OD2 3.39Å; S186-L322 CarbonylContact C-O 3.58Å; S186-L322 VanDerWaalsContact CA-O 3.31Å; S186-L322 WeakPolarHBondContact CA-O 3.49Å |
| 187 | D | 92.1 | Very high | 89.2 | Confident | 75 Ų | 75 | 53.4 Ų | 53.4 | 40% | 0.401 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -74.6 | -3.6 | 172.2 | 66.9 | -11.3 | 0 | 0 | 0 | 113.6 | V321 L322 L323 S324 | D187-V321 HydrophobicContact CB-CG1 4.22Å; D187-L322 PolarHBondContact N-O 3.27Å; D187-L323 HydrophobicContact CB-CD2 4.11Å; D187-S324 VanDerWaalsContact CG-N 3.31Å; D187-S324 VanDerWaalsContact OD1-CB 3.26Å; D187-S324 WeakPolarHBondContact OD1-CB 3.42Å; D187-S324 PolarHBondContact OD1-N 3.47Å; D187-S324 PolarHBondContact OD1-OG 3.34Å; D187-S324 PolarHBondContact OD2-N 2.91Å |
| 188 | R | 91.4 | Very high | 89.3 | Confident | 95 Ų | 95 | 58.2 Ų | 58.2 | 36% | 0.358 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -75.3 | 137.7 | -178.8 | -57.4 | -166.2 | -62.7 | 158.5 | -6.6 | 110.7 | S186 V190 G199 D202 S324 | S186-R188 PolarHBondContact O-N 2.87Å; S186-R188 WeakPolarHBondContact OG-CB 3.22Å; S186-R188 PolarHBondContact OG-N 2.82Å; S186-R188 VanDerWaalsContact OG-N 3.1Å; R188-V190 HydrophobicContact CB-CG1 4.26Å; R188-V190 HydrophobicContact CB-CG2 3.94Å; R188-V190 PolarHBondContact O-N 3.38Å; R188-G199 WeakPolarHBondContact O-CA 3.2Å; R188-G199 PolarHBondContact O-N 2.94Å; R188-D202 IonicContact CZ-OD1 3.44Å; R188-D202 IonicContact CZ-OD2 3.58Å; R188-D202 IonicContact NE-OD2 3.28Å; R188-D202 PolarHBondContact NE-OD2 3.48Å; R188-D202 IonicContact NH2-OD1 2.8Å; R188-D202 PolarHBondContact NH2-OD1 3.46Å; R188-D202 IonicContact NH2-OD2 3.53Å; R188-D202 PolarHBondContact NH2-OD2 2.85Å; R188-S324 WeakPolarHBondContact CG-OG 3.29Å |
| 189 | K | 91.4 | Very high | 89.6 | Confident | 191 Ų | 191 | 57.6 Ų | 57.6 | 83% | 0.83 | 28% | 0.278 | S | S | * | . | trans | -79.2 | 56.5 | 175.6 | -61.9 | -174 | -178.9 | -178.8 | 0 | 111.8 | ||||
| 190 | V | 92.2 | Very high | 90 | Very high | 48 Ų | 48 | 58.6 Ų | 58.6 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | trans | -120.3 | 148.2 | -179.7 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | R188 I192 F198 G199 D202 | R188-V190 HydrophobicContact CB-CG1 4.26Å; R188-V190 HydrophobicContact CB-CG2 3.94Å; R188-V190 PolarHBondContact O-N 3.38Å; V190-I192 HydrophobicContact CG2-CD1 4.06Å; V190-F198 CarbonylContact O-C 3.52Å; V190-F198 WeakPolarHBondContact O-CA 3.44Å; V190-G199 PolarHBondContact O-N 2.95Å; V190-D202 HydrophobicContact CG2-CB 4.35Å; V190-D202 WeakPolarHBondContact CG2-OD2 3.32Å | ||
| 191 | K | 93.7 | Very high | 90.5 | Very high | 103 Ų | 103 | 57.8 Ų | 57.8 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | trans | -110.1 | 112.9 | 168.2 | -73.6 | -169.3 | 169.7 | -149.9 | 0 | 108 | G196 F198 | K191-G196 WeakPolarHBondContact CD-O 3.49Å; K191-G196 WeakPolarHBondContact CE-O 3.48Å; K191-G196 PolarHBondContact NZ-O 3.44Å; K191-F198 HydrophobicContact CD-CE1 4.41Å; K191-F198 HydrophobicContact CG-CD1 3.81Å; K191-F198 HydrophobicContact CG-CE1 3.9Å; K191-F198 HydrophobicContact CG-CG 4.43Å | ||
| 192 | I | 93.2 | Very high | 90.9 | Very high | 51 Ų | 51 | 58 Ų | 58 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -72.6 | -44.4 | 178.4 | -59.1 | -54.5 | 0 | 0 | 0 | 110.3 | V190 E200 D202 N212 | V190-I192 HydrophobicContact CG2-CD1 4.06Å; I192-E200 WeakPolarHBondContact CG1-O 3.42Å; I192-D202 HydrophobicContact CD1-CB 4.26Å; I192-D202 WeakPolarHBondContact CD1-OD1 3.31Å; I192-D202 HydrophobicContact CG1-CB 3.88Å; I192-N212 HydrophobicContact CG2-CB 3.75Å |
| 193 | Y | 88.4 | Confident | 91.2 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -112.6 | 142.1 | 172.4 | -60.9 | -76.6 | 0 | 0 | 0 | 110.4 | H195 G196 Y201 | Y193-H195 PolarHBondContact O-N 3.41Å; Y193-G196 PolarHBondContact O-N 2.95Å; Y193-Y201 HydrophobicContact CD2-CD1 4.45Å; Y193-Y201 AromaticContact CD2-CD2 3.41Å; Y193-Y201 HydrophobicContact CD2-CD2 3.41Å; Y193-Y201 VanDerWaalsContact CD2-CD2 3.41Å; Y193-Y201 AromaticContact CD2-CE2 3.78Å; Y193-Y201 HydrophobicContact CD2-CE2 3.78Å; Y193-Y201 AromaticContact CD2-CG 3.76Å; Y193-Y201 HydrophobicContact CD2-CG 3.76Å; Y193-Y201 HydrophobicContact CE2-CD1 4.08Å; Y193-Y201 AromaticContact CE2-CD2 3.86Å; Y193-Y201 HydrophobicContact CE2-CD2 3.86Å; Y193-Y201 HydrophobicContact CE2-CE2 4.32Å; Y193-Y201 AromaticContact CE2-CG 3.69Å; Y193-Y201 HydrophobicContact CE2-CG 3.69Å |
| 194 | P | 87.2 | Confident | 91.3 | Very high | 119 Ų | 119 | 56.6 Ų | 56.6 | 77% | 0.773 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -36.9 | -177.9 | -28.4 | 35.3 | 0 | 0 | 0 | 114.4 | G196 | P194-G196 VanDerWaalsContact C-N 3.33Š|
| 195 | H | 82.3 | Confident | 91.4 | Very high | 149 Ų | 149 | 56.9 Ų | 56.9 | 69% | 0.69 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -12.3 | 178.2 | 59.9 | -96.1 | 0 | 0 | 0 | 113.4 | Y193 | Y193-H195 PolarHBondContact O-N 3.41Š|
| 196 | G | 86.1 | Confident | 91.5 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -76.9 | 161.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K191 Y193 P194 E200 | K191-G196 WeakPolarHBondContact CD-O 3.49Å; K191-G196 WeakPolarHBondContact CE-O 3.48Å; K191-G196 PolarHBondContact NZ-O 3.44Å; Y193-G196 PolarHBondContact O-N 2.95Å; P194-G196 VanDerWaalsContact C-N 3.33Å; G196-E200 WeakPolarHBondContact CA-OE2 3.5Å |
| 197 | N | 89.1 | Confident | 91.7 | Very high | 95 Ų | 95 | 56.5 Ų | 56.5 | 51% | 0.508 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 168.5 | 168.4 | -63.7 | -66.4 | 0 | 0 | 0 | 111.1 | F185 G199 E200 | F185-N197 HydrophobicContact CE1-CB 4.17Å; N197-G199 PolarHBondContact O-N 3.3Å; N197-E200 HydrophobicContact CB-CB 4.22Å; N197-E200 VanDerWaalsContact CB-OE2 3.31Å; N197-E200 WeakPolarHBondContact CB-OE2 3.49Å; N197-E200 PolarHBondContact N-OE2 3.02Å; N197-E200 PolarHBondContact ND2-OE2 2.65Å; N197-E200 VanDerWaalsContact O-CB 3.32Å; N197-E200 WeakPolarHBondContact O-CB 3.46Å; N197-E200 PolarHBondContact O-N 2.71Å |
| 198 | F | 91.7 | Very high | 91.8 | Very high | 123 Ų | 123 | 53 Ų | 53 | 54% | 0.539 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 132.7 | 174.3 | -70.3 | -71 | 0 | 0 | 0 | 111.5 | V190 K191 E200 | V190-F198 CarbonylContact O-C 3.52Å; V190-F198 WeakPolarHBondContact O-CA 3.44Å; K191-F198 HydrophobicContact CD-CE1 4.41Å; K191-F198 HydrophobicContact CG-CD1 3.81Å; K191-F198 HydrophobicContact CG-CE1 3.9Å; K191-F198 HydrophobicContact CG-CG 4.43Å; F198-E200 PolarHBondContact O-N 2.94Å |
| 199 | G | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -7.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F185 S186 R188 V190 N197 D202 | F185-G199 CarbonylContact C-O 3.55Å; F185-G199 WeakPolarHBondContact CA-O 3.38Å; S186-G199 PolarHBondContact N-O 2.81Å; S186-G199 WeakPolarHBondContact O-CA 3.31Å; R188-G199 WeakPolarHBondContact O-CA 3.2Å; R188-G199 PolarHBondContact O-N 2.94Å; V190-G199 PolarHBondContact O-N 2.95Å; N197-G199 PolarHBondContact O-N 3.3Å; G199-D202 WeakPolarHBondContact O-CB 3.44Å; G199-D202 PolarHBondContact O-N 2.88Å; G199-D202 VanDerWaalsContact O-N 3.17Å |
| 200 | E | 92.5 | Very high | 91.7 | Very high | 23 Ų | 23 | 40.7 Ų | 40.7 | 11% | 0.107 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -66.8 | 137 | -177.7 | -162.1 | 170.1 | -171.7 | 0 | 0 | 110.9 | H183 F185 I192 G196 N197 F198 D202 | H183-E200 HydrophobicContact CB-CG 3.92Å; H183-E200 IonicContact CE1-OE1 2.71Å; H183-E200 IonicContact CG-OE1 3.71Å; H183-E200 IonicContact ND1-OE1 2.83Å; H183-E200 PolarHBondContact ND1-OE1 3.44Å; F185-E200 VanDerWaalsContact CD1-CA 3.5Å; F185-E200 HydrophobicContact CD1-CB 3.91Å; F185-E200 HydrophobicContact CD1-CG 4.37Å; F185-E200 HydrophobicContact CE1-CB 3.42Å; F185-E200 VanDerWaalsContact CE1-CB 3.42Å; F185-E200 HydrophobicContact CE1-CG 3.66Å; F185-E200 HydrophobicContact CE2-CG 4.13Å; F185-E200 HydrophobicContact CZ-CB 3.87Å; F185-E200 HydrophobicContact CZ-CG 3.51Å; I192-E200 WeakPolarHBondContact CG1-O 3.42Å; G196-E200 WeakPolarHBondContact CA-OE2 3.5Å; N197-E200 HydrophobicContact CB-CB 4.22Å; N197-E200 VanDerWaalsContact CB-OE2 3.31Å; N197-E200 WeakPolarHBondContact CB-OE2 3.49Å; N197-E200 PolarHBondContact N-OE2 3.02Å; N197-E200 PolarHBondContact ND2-OE2 2.65Å; N197-E200 VanDerWaalsContact O-CB 3.32Å; N197-E200 WeakPolarHBondContact O-CB 3.46Å; N197-E200 PolarHBondContact O-N 2.71Å; F198-E200 PolarHBondContact O-N 2.94Å; E200-D202 PolarHBondContact O-N 3.45Å |
| 201 | Y | 93.3 | Very high | 91.5 | Very high | 26 Ų | 26 | 41.4 Ų | 41.4 | 10% | 0.102 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 22.3 | -172.4 | -52.3 | -88.4 | 0 | 0 | 0 | 114.5 | H183 S184 Y193 S209 T210 N212 | H183-Y201 HydrophobicContact CB-CD1 4.3Å; H183-Y201 HydrophobicContact CB-CE1 4.2Å; H183-Y201 AromaticContact CD2-CE1 3.37Å; H183-Y201 WeakPolarHBondContact CD2-CE1 3.27Å; H183-Y201 AromaticContact CD2-CZ 3.66Å; H183-Y201 AromaticContact CE1-CE1 3.92Å; H183-Y201 AromaticContact CE1-CZ 3.36Å; H183-Y201 PolarHBondContact CE1-OH 2.57Å; H183-Y201 AromaticContact CG-CE1 3.51Å; H183-Y201 AromaticContact CG-CZ 3.58Å; H183-Y201 AromaticContact ND1-CE1 3.84Å; H183-Y201 AromaticContact ND1-CE2 3.75Å; H183-Y201 AromaticContact ND1-CZ 3.37Å; H183-Y201 PolarHBondContact ND1-OH 3.28Å; H183-Y201 AromaticContact NE2-CE1 3.68Å; H183-Y201 AromaticContact NE2-CZ 3.56Å; H183-Y201 PolarHBondContact NE2-OH 3.47Å; H183-Y201 VanDerWaalsContact NE2-OH 3.13Å; S184-Y201 PolarHBondContact O-N 2.94Å; Y193-Y201 HydrophobicContact CD2-CD1 4.45Å; Y193-Y201 AromaticContact CD2-CD2 3.41Å; Y193-Y201 HydrophobicContact CD2-CD2 3.41Å; Y193-Y201 VanDerWaalsContact CD2-CD2 3.41Å; Y193-Y201 AromaticContact CD2-CE2 3.78Å; Y193-Y201 HydrophobicContact CD2-CE2 3.78Å; Y193-Y201 AromaticContact CD2-CG 3.76Å; Y193-Y201 HydrophobicContact CD2-CG 3.76Å; Y193-Y201 HydrophobicContact CE2-CD1 4.08Å; Y193-Y201 AromaticContact CE2-CD2 3.86Å; Y193-Y201 HydrophobicContact CE2-CD2 3.86Å; Y193-Y201 HydrophobicContact CE2-CE2 4.32Å; Y193-Y201 AromaticContact CE2-CG 3.69Å; Y193-Y201 HydrophobicContact CE2-CG 3.69Å; Y201-S209 WeakPolarHBondContact CA-OG 3.48Å; Y201-S209 WeakPolarHBondContact O-CB 3.46Å; Y201-S209 PolarHBondContact O-OG 3.01Å; Y201-T210 HydrophobicContact CD1-CG2 4.18Å; Y201-T210 HydrophobicContact CE1-CG2 3.98Å; Y201-N212 WeakPolarHBondContact O-CB 3.27Å; Y201-N212 PolarHBondContact O-ND2 2.75Å |
| 202 | D | 93.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | trans | -109 | 15.4 | -174.9 | -161 | 42.9 | 0 | 0 | 0 | 114.8 | S186 R188 V190 I192 G199 E200 S209 | S186-D202 WeakPolarHBondContact CB-O 3.32Å; S186-D202 WeakPolarHBondContact CB-OD2 3.47Å; S186-D202 WeakPolarHBondContact OG-CB 3.39Å; S186-D202 PolarHBondContact OG-OD2 3.39Å; R188-D202 IonicContact CZ-OD1 3.44Å; R188-D202 IonicContact CZ-OD2 3.58Å; R188-D202 IonicContact NE-OD2 3.28Å; R188-D202 PolarHBondContact NE-OD2 3.48Å; R188-D202 IonicContact NH2-OD1 2.8Å; R188-D202 PolarHBondContact NH2-OD1 3.46Å; R188-D202 IonicContact NH2-OD2 3.53Å; R188-D202 PolarHBondContact NH2-OD2 2.85Å; V190-D202 HydrophobicContact CG2-CB 4.35Å; V190-D202 WeakPolarHBondContact CG2-OD2 3.32Å; I192-D202 HydrophobicContact CD1-CB 4.26Å; I192-D202 WeakPolarHBondContact CD1-OD1 3.31Å; I192-D202 HydrophobicContact CG1-CB 3.88Å; G199-D202 WeakPolarHBondContact O-CB 3.44Å; G199-D202 PolarHBondContact O-N 2.88Å; G199-D202 VanDerWaalsContact O-N 3.17Å; E200-D202 PolarHBondContact O-N 3.45Å; D202-S209 PolarHBondContact N-OG 3.13Å | ||
| 203 | D | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -94.5 | 90.6 | 165.5 | -176.9 | 0.3 | 0 | 0 | 0 | 109.5 | F205 D206 S209 N228 H309 L322 | D203-F205 PolarHBondContact O-N 3.36Å; D203-F205 PolarHBondContact OD1-N 3.39Å; D203-D206 HydrophobicContact CB-CB 4.22Å; D203-D206 PolarHBondContact O-N 3.29Å; D203-D206 VanDerWaalsContact O-N 3.13Å; D203-D206 WeakPolarHBondContact OD2-CB 3.3Å; D203-S209 PolarHBondContact N-OG 2.95Å; D203-S209 WeakPolarHBondContact O-CB 3.25Å; D203-S209 PolarHBondContact O-OG 3.04Å; D203-N228 PolarHBondContact OD2-ND2 3.08Å; D203-H309 IonicContact OD1-NE2 2.77Å; D203-H309 IonicContact OD2-CD2 3.02Å; D203-H309 PolarHBondContact OD2-CD2 3.04Å; D203-H309 IonicContact OD2-CE1 3.27Å; D203-H309 IonicContact OD2-NE2 2.67Å; D203-H309 PolarHBondContact OD2-NE2 2.82Å; D203-L322 HydrophobicContact CB-CB 4.18Å | ||
| 204 | L | 93.5 | Very high | 92 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -13.1 | -174.8 | -51.1 | 169.5 | 0 | 0 | 0 | 113.5 | N212 Y214 | L204-N212 WeakPolarHBondContact CD2-ND2 3.28Å; L204-N212 WeakPolarHBondContact CD2-O 3.47Å; L204-Y214 HydrophobicContact CB-CD2 3.65Å; L204-Y214 HydrophobicContact CB-CE2 3.56Å; L204-Y214 HydrophobicContact CB-CG 4.47Å; L204-Y214 HydrophobicContact CD1-CE2 4.09Å; L204-Y214 HydrophobicContact CG-CE2 4.48Å; L204-Y214 WeakPolarHBondContact O-CB 3.48Å; L204-Y214 WeakPolarHBondContact O-CD2 3.45Å; L204-Y214 PolarHBondContact O-N 3.3Å |
| 205 | F | 94.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 2% | 0.022 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -1.7 | -175.9 | -58.6 | -97.6 | 0 | 0 | 0 | 113.1 | D203 Y214 P225 R292 L301 L307 L322 M329 | D203-F205 PolarHBondContact O-N 3.36Å; D203-F205 PolarHBondContact OD1-N 3.39Å; F205-Y214 HydrophobicContact CE1-CE2 4.42Å; F205-Y214 HydrophobicContact CE2-CE2 4.47Å; F205-Y214 HydrophobicContact CZ-CE2 4.26Å; F205-P225 WeakPolarHBondContact O-CG 3.18Å; F205-R292 PolarHBondContact O-NH1 2.66Å; F205-R292 VanDerWaalsContact O-NH1 3.12Å; F205-R292 PolarHBondContact O-NH2 2.95Å; F205-L301 HydrophobicContact CD1-CD1 4.28Å; F205-L301 HydrophobicContact CD1-CD2 3.38Å; F205-L301 HydrophobicContact CD1-CG 4.49Å; F205-L301 HydrophobicContact CE1-CD2 3.78Å; F205-L301 HydrophobicContact CG-CD2 4.27Å; F205-L307 HydrophobicContact CB-CD1 3.43Å; F205-L307 VanDerWaalsContact CB-CD1 3.43Å; F205-L307 HydrophobicContact CD1-CD1 3.6Å; F205-L307 HydrophobicContact CD1-CD2 3.87Å; F205-L307 HydrophobicContact CD1-CG 4.33Å; F205-L307 HydrophobicContact CD2-CD1 3.97Å; F205-L307 HydrophobicContact CD2-CD2 3.89Å; F205-L307 HydrophobicContact CE1-CD1 4.29Å; F205-L307 HydrophobicContact CE1-CD2 3.7Å; F205-L307 HydrophobicContact CE2-CD2 3.77Å; F205-L307 HydrophobicContact CG-CD1 3.4Å; F205-L307 VanDerWaalsContact CG-CD1 3.4Å; F205-L307 HydrophobicContact CG-CD2 3.96Å; F205-L307 HydrophobicContact CG-CG 4.35Å; F205-L307 HydrophobicContact CZ-CD2 3.67Å; F205-L322 HydrophobicContact CD2-CD2 3.93Å; F205-L322 HydrophobicContact CE2-CD2 4.1Å; F205-M329 HydrophobicContact CD1-CE 4.46Å; F205-M329 HydrophobicContact CE1-CE 3.28Å; F205-M329 HydrophobicContact CE1-SD 3.49Å; F205-M329 WeakPolarHBondContact CE1-SD 3.07Å; F205-M329 HydrophobicContact CZ-CE 3.51Å; F205-M329 HydrophobicContact CZ-SD 3.45Å; F205-M329 WeakPolarHBondContact CZ-SD 3.21Å |
| 206 | D | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -123.6 | 134.4 | -173.3 | 177.9 | 69.8 | 0 | 0 | 0 | 111.5 | S184 D203 M208 S209 A213 L227 N228 H231 | S184-D206 WeakPolarHBondContact CB-OD2 2.99Å; S184-D206 PolarHBondContact OG-OD2 2.96Å; D203-D206 HydrophobicContact CB-CB 4.22Å; D203-D206 PolarHBondContact O-N 3.29Å; D203-D206 VanDerWaalsContact O-N 3.13Å; D203-D206 WeakPolarHBondContact OD2-CB 3.3Å; D206-M208 PolarHBondContact O-N 2.86Å; D206-M208 VanDerWaalsContact O-N 3.09Å; D206-M208 VanDerWaalsContact OD2-CA 3.31Å; D206-M208 WeakPolarHBondContact OD2-CA 3.4Å; D206-M208 WeakPolarHBondContact OD2-CB 3.41Å; D206-M208 WeakPolarHBondContact OD2-CG 3.48Å; D206-M208 PolarHBondContact OD2-N 2.99Å; D206-S209 PolarHBondContact O-N 3.44Å; D206-A213 VanDerWaalsContact O-CB 3.3Å; D206-A213 WeakPolarHBondContact O-CB 3.5Å; D206-L227 WeakPolarHBondContact OD1-CA 3.28Å; D206-N228 HydrophobicContact CB-CB 4.02Å; D206-N228 PolarHBondContact OD1-N 2.84Å; D206-H231 IonicContact OD1-CE1 3.54Å; D206-H231 IonicContact OD1-ND1 3.66Å; D206-H231 PolarHBondContact OD1-ND1 2.62Å; D206-H231 IonicContact OD2-CE1 3.1Å; D206-H231 PolarHBondContact OD2-CE1 2.9Å; D206-H231 VanDerWaalsContact OD2-CE1 3.26Å; D206-H231 IonicContact OD2-ND1 3.88Å; D206-H231 PolarHBondContact OD2-ND1 3.38Å |
| 207 | L | 97 | Very high | 93.7 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -54 | -29.3 | 177.3 | -177.6 | 73.5 | 0 | 0 | 0 | 112.9 | Y71 T172 H173 S209 T210 G226 L227 | Y71-L207 HydrophobicContact CE1-CD2 4.12Å; Y71-L207 WeakPolarHBondContact OH-CD2 3.45Å; T172-L207 WeakPolarHBondContact OG1-CD1 3.32Å; H173-L207 HydrophobicContact CB-CG 4.35Å; H173-L207 PolarHBondContact ND1-O 3.21Å; H173-L207 VanDerWaalsContact ND1-O 3.11Å; L207-S209 PolarHBondContact O-N 3.11Å; L207-S209 VanDerWaalsContact O-N 3.09Å; L207-T210 PolarHBondContact O-N 2.87Å; L207-G226 PolarHBondContact N-O 3.45Å; L207-L227 HydrophobicContact CB-CD2 3.88Å; L207-L227 HydrophobicContact CD2-CD2 4.32Å |
| 208 | M | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -74.5 | 4.8 | -179.4 | -49.4 | -56.4 | -62.2 | 0 | 0 | 114 | H173 T176 H177 I181 G182 H183 S184 D206 L227 | H173-M208 VanDerWaalsContact CE1-CE 3.46Å; H173-M208 WeakPolarHBondContact CE1-CE 3.14Å; T176-M208 VanDerWaalsContact CB-SD 3.55Å; T176-M208 HydrophobicContact CG2-CE 4.21Å; T176-M208 HydrophobicContact CG2-CG 4.37Å; T176-M208 HydrophobicContact CG2-SD 3.36Å; T176-M208 WeakPolarHBondContact CG2-SD 3.45Å; H177-M208 VanDerWaalsContact CE1-CE 3.41Å; H177-M208 WeakPolarHBondContact CE1-CE 3.4Å; H177-M208 WeakPolarHBondContact ND1-CE 3.42Å; I181-M208 HydrophobicContact CG2-CE 4.04Å; I181-M208 HydrophobicContact CG2-CG 3.68Å; I181-M208 HydrophobicContact CG2-SD 4.15Å; G182-M208 WeakPolarHBondContact O-CB 3.36Å; H183-M208 WeakPolarHBondContact CA-O 3.4Å; S184-M208 PolarHBondContact N-O 2.6Å; S184-M208 VanDerWaalsContact OG-C 3.28Å; D206-M208 PolarHBondContact O-N 2.86Å; D206-M208 VanDerWaalsContact O-N 3.09Å; D206-M208 VanDerWaalsContact OD2-CA 3.31Å; D206-M208 WeakPolarHBondContact OD2-CA 3.4Å; D206-M208 WeakPolarHBondContact OD2-CB 3.41Å; D206-M208 WeakPolarHBondContact OD2-CG 3.48Å; D206-M208 PolarHBondContact OD2-N 2.99Å; M208-L227 HydrophobicContact CG-CD2 3.92Å; M208-L227 HydrophobicContact SD-CD2 4.24Å |
| 209 | S | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -100 | 6.4 | 165.6 | -71.4 | 0 | 0 | 0 | 0 | 114.2 | S184 Y201 D202 D203 D206 L207 G211 N212 A213 | S184-S209 PolarHBondContact OG-N 2.87Å; S184-S209 PolarHBondContact OG-OG 3.45Å; Y201-S209 WeakPolarHBondContact CA-OG 3.48Å; Y201-S209 WeakPolarHBondContact O-CB 3.46Å; Y201-S209 PolarHBondContact O-OG 3.01Å; D202-S209 PolarHBondContact N-OG 3.13Å; D203-S209 PolarHBondContact N-OG 2.95Å; D203-S209 WeakPolarHBondContact O-CB 3.25Å; D203-S209 PolarHBondContact O-OG 3.04Å; D206-S209 PolarHBondContact O-N 3.44Å; L207-S209 PolarHBondContact O-N 3.11Å; L207-S209 VanDerWaalsContact O-N 3.09Å; S209-G211 PolarHBondContact O-N 3.01Å; S209-N212 PolarHBondContact O-N 3.07Å; S209-N212 VanDerWaalsContact O-N 3.08Å; S209-A213 PolarHBondContact O-N 2.91Å |
| 210 | T | 86.3 | Confident | 94.3 | Very high | 29 Ų | 29 | 29.5 Ų | 29.5 | 18% | 0.178 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | 49.5 | -124.7 | 169.3 | 68.7 | 0 | 0 | 0 | 0 | 115.3 | H173 Y201 L207 N212 A213 | H173-T210 HydrophobicContact CB-CG2 4.25Å; H173-T210 WeakPolarHBondContact CD2-CG2 3.01Å; H173-T210 WeakPolarHBondContact CE1-CG2 3.41Å; H173-T210 WeakPolarHBondContact ND1-CG2 3.3Å; H173-T210 WeakPolarHBondContact NE2-CG2 2.99Å; Y201-T210 HydrophobicContact CD1-CG2 4.18Å; Y201-T210 HydrophobicContact CE1-CG2 3.98Å; L207-T210 PolarHBondContact O-N 2.87Å; T210-N212 PolarHBondContact O-N 3.31Å; T210-A213 VanDerWaalsContact O-CB 3.31Å; T210-A213 WeakPolarHBondContact O-CB 3.33Å; T210-A213 PolarHBondContact O-N 3.09Å |
| 211 | G | 88.4 | Confident | 94.3 | Very high | 63 Ų | 63 | 29.6 Ų | 29.6 | 65% | 0.649 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -69.1 | -7.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S209 | S209-G211 PolarHBondContact O-N 3.01Š|
| 212 | N | 94.4 | Very high | 94.5 | Very high | 48 Ų | 48 | 31.4 Ų | 31.4 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -94.7 | -11.3 | 169.1 | -165 | 48.9 | 0 | 0 | 0 | 112.4 | I192 Y201 L204 S209 T210 | I192-N212 HydrophobicContact CG2-CB 3.75Å; Y201-N212 WeakPolarHBondContact O-CB 3.27Å; Y201-N212 PolarHBondContact O-ND2 2.75Å; L204-N212 WeakPolarHBondContact CD2-ND2 3.28Å; L204-N212 WeakPolarHBondContact CD2-O 3.47Å; S209-N212 PolarHBondContact O-N 3.07Å; S209-N212 VanDerWaalsContact O-N 3.08Å; T210-N212 PolarHBondContact O-N 3.31Å |
| 213 | A | 95.7 | Very high | 94.6 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 7% | 0.066 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -77.7 | 152.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D206 S209 T210 S215 P225 | D206-A213 VanDerWaalsContact O-CB 3.3Å; D206-A213 WeakPolarHBondContact O-CB 3.5Å; S209-A213 PolarHBondContact O-N 2.91Å; T210-A213 VanDerWaalsContact O-CB 3.31Å; T210-A213 WeakPolarHBondContact O-CB 3.33Å; T210-A213 PolarHBondContact O-N 3.09Å; A213-S215 PolarHBondContact O-N 2.97Å; A213-P225 HydrophobicContact CB-CG 3.91Å |
| 214 | Y | 95.8 | Very high | 94.7 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | trans | -64 | 118 | 174.8 | -74.5 | -60.5 | 0 | 0 | 0 | 110.7 | L204 F205 G224 P225 L301 P302 M329 | L204-Y214 HydrophobicContact CB-CD2 3.65Å; L204-Y214 HydrophobicContact CB-CE2 3.56Å; L204-Y214 HydrophobicContact CB-CG 4.47Å; L204-Y214 HydrophobicContact CD1-CE2 4.09Å; L204-Y214 HydrophobicContact CG-CE2 4.48Å; L204-Y214 WeakPolarHBondContact O-CB 3.48Å; L204-Y214 WeakPolarHBondContact O-CD2 3.45Å; L204-Y214 PolarHBondContact O-N 3.3Å; F205-Y214 HydrophobicContact CE1-CE2 4.42Å; F205-Y214 HydrophobicContact CE2-CE2 4.47Å; F205-Y214 HydrophobicContact CZ-CE2 4.26Å; Y214-G224 CarbonylContact O-C 3.52Å; Y214-P225 WeakPolarHBondContact O-CB 3.35Å; Y214-P225 WeakPolarHBondContact O-CD 3.41Å; Y214-P225 WeakPolarHBondContact O-CG 3.46Å; Y214-L301 HydrophobicContact CD2-CD2 3.42Å; Y214-L301 VanDerWaalsContact CD2-CD2 3.42Å; Y214-L301 HydrophobicContact CE2-CD2 4.22Å; Y214-L301 HydrophobicContact CG-CD2 3.91Å; Y214-P302 HydrophobicContact CE1-CG 4.12Å; Y214-M329 HydrophobicContact CE2-CE 4.35Å | ||
| 215 | S | 96.5 | Very high | 94.9 | Very high | 34 Ų | 34 | 31 Ų | 31 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | trans | -133.9 | 167.8 | -179.2 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | A213 T223 G224 | A213-S215 PolarHBondContact O-N 2.97Å; S215-T223 WeakPolarHBondContact CA-O 3.43Å; S215-T223 VanDerWaalsContact CB-O 3.3Å; S215-T223 WeakPolarHBondContact CB-O 3.05Å; S215-G224 WeakPolarHBondContact CB-O 3.17Å | ||
| 216 | Y | 97 | Very high | 95 | Very high | 23 Ų | 23 | 31 Ų | 31 | 9% | 0.09 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 160.8 | 173 | 62.4 | -91.6 | 0 | 0 | 0 | 110.5 | D65 T218 L222 T223 Y297 K299 | D65-Y216 PolarHBondContact OD1-OH 2.7Å; D65-Y216 WeakPolarHBondContact OD2-CE2 3.23Å; Y216-T218 HydrophobicContact CD2-CG2 3.85Å; Y216-T218 HydrophobicContact CE2-CG2 3.44Å; Y216-T218 VanDerWaalsContact CE2-CG2 3.44Å; Y216-L222 CarbonylContact O-C 3.49Å; Y216-L222 WeakPolarHBondContact O-CA 3.37Å; Y216-T223 HydrophobicContact CD1-CG2 4.32Å; Y216-T223 WeakPolarHBondContact CD1-O 3.41Å; Y216-T223 HydrophobicContact CD2-CG2 3.76Å; Y216-T223 HydrophobicContact CE1-CG2 3.76Å; Y216-T223 HydrophobicContact CE2-CG2 3.08Å; Y216-T223 HydrophobicContact CG-CG2 4.35Å; Y216-T223 PolarHBondContact N-O 3.06Å; Y216-T223 PolarHBondContact O-N 2.86Å; Y216-T223 WeakPolarHBondContact OH-CG2 3.46Å; Y216-Y297 WeakPolarHBondContact CE1-O 3.45Å; Y216-K299 HydrophobicContact CD1-CD 4.24Å; Y216-K299 HydrophobicContact CD1-CG 3.44Å; Y216-K299 VanDerWaalsContact CD1-CG 3.44Å; Y216-K299 HydrophobicContact CD2-CD 4.23Å; Y216-K299 HydrophobicContact CD2-CG 4.24Å; Y216-K299 HydrophobicContact CE1-CD 4.19Å; Y216-K299 HydrophobicContact CE1-CG 3.66Å; Y216-K299 HydrophobicContact CE2-CD 4.2Å; Y216-K299 HydrophobicContact CE2-CG 4.43Å; Y216-K299 HydrophobicContact CG-CD 4.2Å; Y216-K299 HydrophobicContact CG-CG 3.71Å |
| 217 | K | 96.8 | Very high | 95.1 | Very high | 177 Ų | 177 | 31.1 Ų | 31.1 | 77% | 0.77 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 139 | -176.2 | -168.7 | 174.4 | -178.4 | 179.3 | 0 | 112 | ||
| 218 | T | 95.9 | Very high | 95 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | -175.4 | 171 | 65.6 | 0 | 0 | 0 | 0 | 110.4 | Y216 Y220 G221 T223 | Y216-T218 HydrophobicContact CD2-CG2 3.85Å; Y216-T218 HydrophobicContact CE2-CG2 3.44Å; Y216-T218 VanDerWaalsContact CE2-CG2 3.44Å; T218-Y220 PolarHBondContact O-N 2.92Å; T218-Y220 PolarHBondContact OG1-N 3.47Å; T218-Y220 VanDerWaalsContact OG1-N 3.14Å; T218-G221 PolarHBondContact N-O 2.72Å; T218-G221 PolarHBondContact O-N 3.34Å; T218-G221 PolarHBondContact OG1-O 2.92Å; T218-T223 HydrophobicContact CG2-CG2 3.45Å; T218-T223 VanDerWaalsContact CG2-CG2 3.45Å |
| 219 | A | 94 | Very high | 95.1 | Very high | 87 Ų | 87 | 31.1 Ų | 31.1 | 72% | 0.719 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 220 | Y | 94.9 | Very high | 95.1 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 35.5 | -179.6 | -55.2 | -67.1 | 0 | 0 | 0 | 112.1 | W54 W58 R64 M167 S168 T218 | W54-Y220 AromaticContact CE2-CD1 3.92Å; W54-Y220 HydrophobicContact CH2-CD1 4.31Å; W54-Y220 AromaticContact CZ2-CD1 3.65Å; W54-Y220 HydrophobicContact CZ2-CD1 3.65Å; W54-Y220 HydrophobicContact CZ2-CE1 4.32Å; W58-Y220 VanDerWaalsContact CA-CE1 3.5Å; W58-Y220 HydrophobicContact CB-CD1 3.53Å; W58-Y220 HydrophobicContact CB-CE1 3.49Å; W58-Y220 VanDerWaalsContact CB-CE1 3.49Å; W58-Y220 HydrophobicContact CB-CG 4.25Å; W58-Y220 VanDerWaalsContact CD1-CB 3.42Å; W58-Y220 AromaticContact CD1-CD1 3.47Å; W58-Y220 VanDerWaalsContact CD1-CD1 3.47Å; W58-Y220 AromaticContact CD1-CD2 3.82Å; W58-Y220 AromaticContact CD1-CG 3.29Å; W58-Y220 HydrophobicContact CD2-CD1 4.41Å; W58-Y220 AromaticContact CG-CD1 3.52Å; W58-Y220 HydrophobicContact CG-CD1 3.52Å; W58-Y220 HydrophobicContact CG-CE1 4.02Å; W58-Y220 AromaticContact CG-CG 3.86Å; W58-Y220 HydrophobicContact CG-CG 3.86Å; W58-Y220 AromaticContact NE1-CG 3.92Å; R64-Y220 HydrophobicContact CB-CE2 4.2Å; M167-Y220 WeakPolarHBondContact CA-O 3.45Å; S168-Y220 PolarHBondContact N-O 3.44Å; S168-Y220 VanDerWaalsContact N-O 3.15Å; S168-Y220 WeakPolarHBondContact OG-CB 3.48Å; S168-Y220 PolarHBondContact OG-O 3.26Å; T218-Y220 PolarHBondContact O-N 2.92Å; T218-Y220 PolarHBondContact OG1-N 3.47Å; T218-Y220 VanDerWaalsContact OG1-N 3.14Å |
| 221 | G | 94.1 | Very high | 95.4 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 27% | 0.268 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.1 | -153.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T218 | T218-G221 PolarHBondContact N-O 2.72Å; T218-G221 PolarHBondContact O-N 3.34Å; T218-G221 PolarHBondContact OG1-O 2.92Å |
| 222 | L | 96.7 | Very high | 95.8 | Very high | 64 Ų | 64 | 27 Ų | 27 | 34% | 0.335 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 142.2 | 175.2 | -64.2 | 176.2 | 0 | 0 | 0 | 110.5 | M167 S168 S169 Y216 | M167-L222 HydrophobicContact SD-CB 3.98Å; M167-L222 HydrophobicContact SD-CD1 4.11Å; M167-L222 HydrophobicContact SD-CG 4.31Å; S168-L222 CarbonylContact C-O 3.51Å; S168-L222 WeakPolarHBondContact CA-O 3.45Å; S168-L222 WeakPolarHBondContact CB-O 3.36Å; S168-L222 PolarHBondContact N-O 3.46Å; S169-L222 PolarHBondContact N-O 2.9Å; S169-L222 PolarHBondContact OG-O 2.71Å; Y216-L222 CarbonylContact O-C 3.49Å; Y216-L222 WeakPolarHBondContact O-CA 3.37Å |
| 223 | T | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 162.1 | 171.7 | -164.8 | 0 | 0 | 0 | 0 | 109.6 | S215 Y216 T218 | S215-T223 WeakPolarHBondContact CA-O 3.43Å; S215-T223 VanDerWaalsContact CB-O 3.3Å; S215-T223 WeakPolarHBondContact CB-O 3.05Å; Y216-T223 HydrophobicContact CD1-CG2 4.32Å; Y216-T223 WeakPolarHBondContact CD1-O 3.41Å; Y216-T223 HydrophobicContact CD2-CG2 3.76Å; Y216-T223 HydrophobicContact CE1-CG2 3.76Å; Y216-T223 HydrophobicContact CE2-CG2 3.08Å; Y216-T223 HydrophobicContact CG-CG2 4.35Å; Y216-T223 PolarHBondContact N-O 3.06Å; Y216-T223 PolarHBondContact O-N 2.86Å; Y216-T223 WeakPolarHBondContact OH-CG2 3.46Å; T218-T223 HydrophobicContact CG2-CG2 3.45Å; T218-T223 VanDerWaalsContact CG2-CG2 3.45Å |
| 224 | G | 95.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | trans | 78.3 | 170.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y214 S215 Y297 | Y214-G224 CarbonylContact O-C 3.52Å; S215-G224 WeakPolarHBondContact CB-O 3.17Å; G224-Y297 WeakPolarHBondContact CA-O 3.36Å | ||
| 225 | P | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | cis | -78.5 | -174.6 | 0.4 | 32.9 | -29.1 | 0 | 0 | 0 | 111.4 | Y71 F205 A213 Y214 Y297 D298 | Y71-P225 PolarHBondContact OH-O 2.88Å; F205-P225 WeakPolarHBondContact O-CG 3.18Å; A213-P225 HydrophobicContact CB-CG 3.91Å; Y214-P225 WeakPolarHBondContact O-CB 3.35Å; Y214-P225 WeakPolarHBondContact O-CD 3.41Å; Y214-P225 WeakPolarHBondContact O-CG 3.46Å; P225-Y297 WeakPolarHBondContact CA-O 3.05Å; P225-D298 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 226 | G | 97.2 | Very high | 95.2 | Very high | 7 Ų | 7 | 20.9 Ų | 20.9 | 7% | 0.072 | 12% | 0.122 | C | C | . | . | trans | -65.7 | -179.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L207 R292 D298 | L207-G226 PolarHBondContact N-O 3.45Å; G226-R292 PolarHBondContact O-NH2 3.26Å; G226-D298 PolarHBondContact N-OD1 2.77Å | ||
| 227 | L | 97.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | trans | -82.8 | 148.1 | 171.2 | -69.9 | 170.2 | 0 | 0 | 0 | 111.2 | V75 T176 D206 L207 M208 H231 L232 L235 W237 R292 | V75-L227 HydrophobicContact CG1-CG 4.49Å; T176-L227 HydrophobicContact CG2-CD1 4.21Å; T176-L227 HydrophobicContact CG2-CD2 4.01Å; D206-L227 WeakPolarHBondContact OD1-CA 3.28Å; L207-L227 HydrophobicContact CB-CD2 3.88Å; L207-L227 HydrophobicContact CD2-CD2 4.32Å; M208-L227 HydrophobicContact CG-CD2 3.92Å; M208-L227 HydrophobicContact SD-CD2 4.24Å; L227-H231 HydrophobicContact CB-CB 4.07Å; L227-H231 HydrophobicContact CD1-CB 4.47Å; L227-H231 HydrophobicContact CD2-CB 4.26Å; L227-L232 HydrophobicContact CB-CD2 3.88Å; L227-L232 HydrophobicContact CB-CG 3.96Å; L227-L232 HydrophobicContact CD1-CD2 4.38Å; L227-L232 WeakPolarHBondContact O-CD1 3.31Å; L227-L235 HydrophobicContact CD1-CD1 3.56Å; L227-W237 HydrophobicContact CD1-CE3 4.23Å; L227-W237 HydrophobicContact CD1-CZ3 3.76Å; L227-R292 PolarHBondContact O-NH1 2.97Å | ||
| 228 | N | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -67 | 158.4 | 169.8 | 68.5 | 29.6 | 0 | 0 | 0 | 111.4 | D203 D206 P230 H231 L232 S320 | D203-N228 PolarHBondContact OD2-ND2 3.08Å; D206-N228 HydrophobicContact CB-CB 4.02Å; D206-N228 PolarHBondContact OD1-N 2.84Å; N228-P230 WeakPolarHBondContact OD1-CD 3.48Å; N228-H231 WeakPolarHBondContact O-CB 3.34Å; N228-H231 PolarHBondContact O-N 2.73Å; N228-H231 WeakPolarHBondContact OD1-CB 3.37Å; N228-H231 PolarHBondContact OD1-N 3.02Å; N228-H231 PolarHBondContact OD1-ND1 3.13Å; N228-H231 VanDerWaalsContact OD1-ND1 3.13Å; N228-L232 WeakPolarHBondContact O-CG 3.1Å; N228-L232 PolarHBondContact O-N 3.19Å; N228-S320 PolarHBondContact ND2-OG 3.38Å; N228-S320 VanDerWaalsContact ND2-OG 3.1Å | ||
| 229 | G | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.7 | -40.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L232 D233 E290 | G229-L232 PolarHBondContact O-N 2.97Å; G229-D233 WeakPolarHBondContact O-CB 3.39Å; G229-D233 PolarHBondContact O-N 2.83Å; G229-E290 WeakPolarHBondContact CA-OE2 3.27Å; G229-E290 PolarHBondContact N-OE2 2.76Å |
| 230 | P | 94.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -55.1 | -48.4 | 168.3 | -30.9 | 38.5 | 0 | 0 | 0 | 113.6 | N228 L232 D233 Y234 T288 H309 I311 L462 F549 | N228-P230 WeakPolarHBondContact OD1-CD 3.48Å; P230-L232 PolarHBondContact O-N 3.48Å; P230-D233 PolarHBondContact O-N 3.45Å; P230-Y234 WeakPolarHBondContact O-CB 3.24Å; P230-Y234 PolarHBondContact O-N 3.25Å; P230-T288 HydrophobicContact CG-CG2 3.87Å; P230-T288 WeakPolarHBondContact CG-OG1 3.25Å; P230-H309 HydrophobicContact CG-CB 4.15Å; P230-I311 HydrophobicContact CB-CD1 3.62Å; P230-I311 HydrophobicContact CG-CD1 3.7Å; P230-L462 HydrophobicContact CB-CD1 4.25Å; P230-L462 WeakPolarHBondContact O-CD1 3.42Å; P230-F549 HydrophobicContact CB-CZ 4.04Å |
| 231 | H | 93.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 177.4 | -66.1 | 153.4 | 0 | 0 | 0 | 111.5 | I181 D206 L227 N228 Y234 L235 F549 | I181-H231 HydrophobicContact CD1-CB 4.25Å; D206-H231 IonicContact OD1-CE1 3.54Å; D206-H231 IonicContact OD1-ND1 3.66Å; D206-H231 PolarHBondContact OD1-ND1 2.62Å; D206-H231 IonicContact OD2-CE1 3.1Å; D206-H231 PolarHBondContact OD2-CE1 2.9Å; D206-H231 VanDerWaalsContact OD2-CE1 3.26Å; D206-H231 IonicContact OD2-ND1 3.88Å; D206-H231 PolarHBondContact OD2-ND1 3.38Å; L227-H231 HydrophobicContact CB-CB 4.07Å; L227-H231 HydrophobicContact CD1-CB 4.47Å; L227-H231 HydrophobicContact CD2-CB 4.26Å; N228-H231 WeakPolarHBondContact O-CB 3.34Å; N228-H231 PolarHBondContact O-N 2.73Å; N228-H231 WeakPolarHBondContact OD1-CB 3.37Å; N228-H231 PolarHBondContact OD1-N 3.02Å; N228-H231 PolarHBondContact OD1-ND1 3.13Å; N228-H231 VanDerWaalsContact OD1-ND1 3.13Å; H231-Y234 PolarHBondContact O-N 3.1Å; H231-L235 WeakPolarHBondContact O-CB 3.24Å; H231-L235 VanDerWaalsContact O-CG 3.27Å; H231-L235 WeakPolarHBondContact O-CG 3.2Å; H231-L235 PolarHBondContact O-N 3.04Å; H231-F549 AromaticContact CD2-CE1 3.78Å; H231-F549 AromaticContact CD2-CE2 3.68Å; H231-F549 AromaticContact CD2-CZ 3.53Å; H231-F549 AromaticContact NE2-CE1 3.83Å |
| 232 | L | 95.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 11.7 Ų | 11.7 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 176.8 | -64.8 | 172.5 | 0 | 0 | 0 | 112.6 | V75 L227 N228 G229 P230 L235 G236 W237 L238 L261 | V75-L232 HydrophobicContact CG1-CD2 3.95Å; L227-L232 HydrophobicContact CB-CD2 3.88Å; L227-L232 HydrophobicContact CB-CG 3.96Å; L227-L232 HydrophobicContact CD1-CD2 4.38Å; L227-L232 WeakPolarHBondContact O-CD1 3.31Å; N228-L232 WeakPolarHBondContact O-CG 3.1Å; N228-L232 PolarHBondContact O-N 3.19Å; G229-L232 PolarHBondContact O-N 2.97Å; P230-L232 PolarHBondContact O-N 3.48Å; L232-L235 PolarHBondContact O-N 3.36Å; L232-G236 PolarHBondContact O-N 2.9Å; L232-G236 VanDerWaalsContact O-N 3.17Å; L232-W237 HydrophobicContact CB-CB 4.47Å; L232-W237 HydrophobicContact CD2-CB 4.01Å; L232-W237 HydrophobicContact CD2-CE3 3.79Å; L232-W237 PolarHBondContact O-N 3.28Å; L232-L238 HydrophobicContact CB-CD1 4.13Å; L232-L238 HydrophobicContact CB-CD2 3.83Å; L232-L238 HydrophobicContact CB-CG 3.65Å; L232-L238 HydrophobicContact CD1-CD2 4.01Å; L232-L261 HydrophobicContact CD1-CD1 4.19Å; L232-L261 HydrophobicContact CD1-CD2 4.38Å |
| 233 | D | 93.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 8.7 Ų | 8.7 | 1% | 0.011 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.8 | -50.2 | 174.5 | -179.2 | 38.2 | 0 | 0 | 0 | 109.5 | G229 P230 L235 G236 L238 I243 L273 L462 N463 | G229-D233 WeakPolarHBondContact O-CB 3.39Å; G229-D233 PolarHBondContact O-N 2.83Å; P230-D233 PolarHBondContact O-N 3.45Å; D233-L235 VanDerWaalsContact C-N 3.32Å; D233-L235 PolarHBondContact O-N 3.4Å; D233-G236 WeakPolarHBondContact O-CA 3.3Å; D233-G236 PolarHBondContact O-N 2.89Å; D233-L238 HydrophobicContact CB-CD1 4.23Å; D233-I243 HydrophobicContact CB-CD1 4.43Å; D233-I243 VanDerWaalsContact OD1-CD1 3.3Å; D233-I243 WeakPolarHBondContact OD1-CD1 3.31Å; D233-L273 HydrophobicContact CB-CD2 3.96Å; D233-L462 HydrophobicContact CB-CD1 4.27Å; D233-L462 WeakPolarHBondContact OD2-CB 3.48Å; D233-L462 VanDerWaalsContact OD2-CG 3.31Å; D233-L462 WeakPolarHBondContact OD2-CG 3.37Å; D233-L462 PolarHBondContact OD2-N 3.2Å; D233-N463 PolarHBondContact O-ND2 2.03Å |
| 234 | Y | 91.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 9.5 Ų | 9.5 | 2% | 0.02 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59 | -40.5 | 178.1 | 171.2 | -104 | 0 | 0 | 0 | 113.6 | I181 P230 H231 G236 N463 F546 F548 F549 | I181-Y234 HydrophobicContact CD1-CD1 4.15Å; I181-Y234 HydrophobicContact CD1-CE1 4.49Å; I181-Y234 HydrophobicContact CG1-CD1 3.92Å; I181-Y234 HydrophobicContact CG1-CE1 3.92Å; P230-Y234 WeakPolarHBondContact O-CB 3.24Å; P230-Y234 PolarHBondContact O-N 3.25Å; H231-Y234 PolarHBondContact O-N 3.1Å; Y234-G236 PolarHBondContact O-N 3.48Å; Y234-N463 PolarHBondContact O-OD1 2.84Å; Y234-N463 VanDerWaalsContact O-OD1 3.14Å; Y234-F546 PolarHBondContact OH-O 3.07Å; Y234-F548 HydrophobicContact CD2-CB 4.22Å; Y234-F548 AromaticContact CD2-CD1 3.72Å; Y234-F548 HydrophobicContact CD2-CD1 3.72Å; Y234-F548 HydrophobicContact CD2-CG 4.37Å; Y234-F548 HydrophobicContact CE2-CB 3.86Å; Y234-F548 HydrophobicContact CE2-CD1 4.13Å; Y234-F548 HydrophobicContact CE2-CG 4.47Å; Y234-F548 HydrophobicContact CG-CD1 4.36Å; Y234-F549 VanDerWaalsContact CB-CE2 3.49Å; Y234-F549 HydrophobicContact CD1-CB 4.48Å; Y234-F549 AromaticContact CD1-CD2 3.58Å; Y234-F549 HydrophobicContact CD1-CD2 3.58Å; Y234-F549 HydrophobicContact CD1-CE2 4.34Å; Y234-F549 AromaticContact CD2-CD2 3.88Å; Y234-F549 HydrophobicContact CD2-CD2 3.88Å; Y234-F549 HydrophobicContact CD2-CE2 4.5Å; Y234-F549 HydrophobicContact CE1-CB 4.24Å; Y234-F549 HydrophobicContact CE1-CD2 4.14Å; Y234-F549 HydrophobicContact CE2-CD2 4.44Å; Y234-F549 AromaticContact CG-CD2 3.4Å; Y234-F549 HydrophobicContact CG-CD2 3.4Å; Y234-F549 AromaticContact CG-CE2 3.9Å; Y234-F549 HydrophobicContact CG-CE2 3.9Å |
| 235 | L | 91.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.01 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -7.3 | 176.4 | -68.5 | 169.8 | 0 | 0 | 0 | 113.4 | P28 Q29 F179 I181 L227 H231 L232 D233 W237 | P28-L235 WeakPolarHBondContact CB-O 3.35Å; Q29-L235 HydrophobicContact CB-CD2 4.41Å; Q29-L235 HydrophobicContact CG-CD2 3.94Å; Q29-L235 PolarHBondContact N-O 3.32Å; Q29-L235 VanDerWaalsContact N-O 3.14Å; F179-L235 HydrophobicContact CB-CD2 3.54Å; F179-L235 HydrophobicContact CD2-CD1 4.4Å; F179-L235 HydrophobicContact CD2-CD2 3.82Å; F179-L235 HydrophobicContact CG-CD2 3.85Å; I181-L235 HydrophobicContact CD1-CD1 3.57Å; I181-L235 HydrophobicContact CD1-CD2 3.69Å; I181-L235 HydrophobicContact CD1-CG 3.61Å; L227-L235 HydrophobicContact CD1-CD1 3.56Å; H231-L235 WeakPolarHBondContact O-CB 3.24Å; H231-L235 VanDerWaalsContact O-CG 3.27Å; H231-L235 WeakPolarHBondContact O-CG 3.2Å; H231-L235 PolarHBondContact O-N 3.04Å; L232-L235 PolarHBondContact O-N 3.36Å; D233-L235 VanDerWaalsContact C-N 3.32Å; D233-L235 PolarHBondContact O-N 3.4Å; L235-W237 HydrophobicContact CB-CB 4.33Å; L235-W237 HydrophobicContact CB-CD2 3.72Å; L235-W237 HydrophobicContact CB-CE3 4.35Å; L235-W237 HydrophobicContact CB-CG 3.71Å; L235-W237 HydrophobicContact CB-CZ2 4.47Å; L235-W237 HydrophobicContact CD1-CD2 3.86Å; L235-W237 HydrophobicContact CD1-CE3 3.68Å; L235-W237 HydrophobicContact CD1-CH2 3.79Å; L235-W237 HydrophobicContact CD1-CZ2 3.99Å; L235-W237 HydrophobicContact CD1-CZ3 3.65Å; L235-W237 HydrophobicContact CG-CD2 4.41Å; L235-W237 PolarHBondContact O-N 2.85Å |
| 236 | G | 93 | Very high | 95.2 | Very high | 3 Ų | 3 | 11 Ų | 11 | 3% | 0.031 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 30.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P28 L232 D233 Y234 L238 Y477 | P28-G236 VanDerWaalsContact CB-CA 3.47Å; L232-G236 PolarHBondContact O-N 2.9Å; L232-G236 VanDerWaalsContact O-N 3.17Å; D233-G236 WeakPolarHBondContact O-CA 3.3Å; D233-G236 PolarHBondContact O-N 2.89Å; Y234-G236 PolarHBondContact O-N 3.48Å; G236-L238 VanDerWaalsContact C-N 3.35Å; G236-Y477 WeakPolarHBondContact O-CD1 3.39Å |
| 237 | W | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | trans | -95.1 | 3.8 | 176.9 | -66.4 | -0.9 | 0 | 0 | 0 | 112 | Q29 F72 V75 S76 Y80 F179 L227 L232 L235 H265 Y477 | Q29-W237 PolarHBondContact O-NE1 3.21Å; F72-W237 AromaticContact CD1-CH2 3.69Å; F72-W237 HydrophobicContact CD1-CH2 3.69Å; F72-W237 HydrophobicContact CD1-CZ3 4.24Å; F72-W237 AromaticContact CE1-CH2 3.98Å; F72-W237 HydrophobicContact CE1-CH2 3.98Å; V75-W237 HydrophobicContact CG1-CE3 4.22Å; V75-W237 HydrophobicContact CG1-CZ3 4.12Å; S76-W237 VanDerWaalsContact CB-CE2 3.43Å; Y80-W237 HydrophobicContact CD1-CH2 4.31Å; Y80-W237 HydrophobicContact CD1-CZ2 4.08Å; Y80-W237 AromaticContact CG-CZ2 3.96Å; Y80-W237 HydrophobicContact CG-CZ2 3.96Å; F179-W237 HydrophobicContact CD2-CH2 4.5Å; F179-W237 AromaticContact CE2-CH2 3.96Å; F179-W237 HydrophobicContact CE2-CH2 3.96Å; F179-W237 HydrophobicContact CE2-CZ2 4.24Å; L227-W237 HydrophobicContact CD1-CE3 4.23Å; L227-W237 HydrophobicContact CD1-CZ3 3.76Å; L232-W237 HydrophobicContact CB-CB 4.47Å; L232-W237 HydrophobicContact CD2-CB 4.01Å; L232-W237 HydrophobicContact CD2-CE3 3.79Å; L232-W237 PolarHBondContact O-N 3.28Å; L235-W237 HydrophobicContact CB-CB 4.33Å; L235-W237 HydrophobicContact CB-CD2 3.72Å; L235-W237 HydrophobicContact CB-CE3 4.35Å; L235-W237 HydrophobicContact CB-CG 3.71Å; L235-W237 HydrophobicContact CB-CZ2 4.47Å; L235-W237 HydrophobicContact CD1-CD2 3.86Å; L235-W237 HydrophobicContact CD1-CE3 3.68Å; L235-W237 HydrophobicContact CD1-CH2 3.79Å; L235-W237 HydrophobicContact CD1-CZ2 3.99Å; L235-W237 HydrophobicContact CD1-CZ3 3.65Å; L235-W237 HydrophobicContact CG-CD2 4.41Å; L235-W237 PolarHBondContact O-N 2.85Å; W237-H265 PolarHBondContact O-CE1 3.2Å; W237-Y477 WeakPolarHBondContact O-CE1 3.39Å | ||
| 238 | L | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -106.9 | 143.5 | 162.7 | -61.1 | -175.5 | 0 | 0 | 0 | 109 | L232 D233 G236 I243 L261 L273 Y479 | L232-L238 HydrophobicContact CB-CD1 4.13Å; L232-L238 HydrophobicContact CB-CD2 3.83Å; L232-L238 HydrophobicContact CB-CG 3.65Å; L232-L238 HydrophobicContact CD1-CD2 4.01Å; D233-L238 HydrophobicContact CB-CD1 4.23Å; G236-L238 VanDerWaalsContact C-N 3.35Å; L238-I243 HydrophobicContact CB-CD1 3.73Å; L238-I243 HydrophobicContact CB-CG1 4.16Å; L238-I243 HydrophobicContact CD1-CD1 4.17Å; L238-I243 HydrophobicContact CD1-CG1 4.42Å; L238-L261 HydrophobicContact CD2-CD2 3.53Å; L238-L273 HydrophobicContact CD1-CB 3.83Å; L238-L273 HydrophobicContact CD1-CD2 3.69Å; L238-L273 HydrophobicContact CD1-CG 4.31Å; L238-Y479 VanDerWaalsContact O-CE2 3.31Å; L238-Y479 WeakPolarHBondContact O-CE2 3.33Å; L238-Y479 PolarHBondContact O-OH 3.38Å |
| 239 | P | 96.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 14.8 Ų | 14.8 | 3% | 0.032 | 8% | 0.079 | C | C | . | . | trans | -79.1 | 127.9 | 174.1 | 31.6 | -30.9 | 0 | 0 | 0 | 109.8 | D241 R242 L272 P476 Y477 | P239-D241 WeakPolarHBondContact CB-OD1 3.25Å; P239-D241 PolarHBondContact O-N 2.96Å; P239-D241 VanDerWaalsContact O-N 3.1Å; P239-R242 HydrophobicContact CG-CB 4.12Å; P239-R242 HydrophobicContact CG-CG 4.27Å; P239-R242 PolarHBondContact O-N 3.17Å; P239-L272 HydrophobicContact CG-CD1 3.86Å; P239-P476 CarbonylContact C-O 3.57Å; P239-P476 VanDerWaalsContact CA-O 3.3Å; P239-P476 WeakPolarHBondContact CA-O 3.42Å; P239-P476 HydrophobicContact CB-CB 3.57Å; P239-Y477 HydrophobicContact CB-CD1 4.36Å; P239-Y477 HydrophobicContact CB-CD2 4.15Å; P239-Y477 HydrophobicContact CB-CE1 4.01Å; P239-Y477 HydrophobicContact CB-CE2 3.76Å; P239-Y477 HydrophobicContact CB-CG 4.43Å; P239-Y477 HydrophobicContact CG-CE1 4.18Å; P239-Y477 HydrophobicContact CG-CE2 4.28Å | ||
| 240 | F | 95.9 | Very high | 92.6 | Very high | 34 Ų | 34 | 19.8 Ų | 19.8 | 15% | 0.149 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -62.8 | -22.7 | -171.5 | 61.5 | -111.3 | 0 | 0 | 0 | 113.8 | R242 I243 Y460 W471 A473 D475 P476 Y479 | F240-R242 PolarHBondContact O-N 3.4Å; F240-I243 PolarHBondContact O-N 2.76Å; F240-Y460 PolarHBondContact O-OH 2.89Å; F240-Y460 VanDerWaalsContact O-OH 3.09Å; F240-W471 HydrophobicContact CB-CE3 4.01Å; F240-W471 HydrophobicContact CB-CH2 3.9Å; F240-W471 HydrophobicContact CB-CZ3 3.47Å; F240-W471 VanDerWaalsContact CB-CZ3 3.47Å; F240-W471 HydrophobicContact CD1-CD2 4.46Å; F240-W471 AromaticContact CD1-CE3 3.84Å; F240-W471 HydrophobicContact CD1-CE3 3.84Å; F240-W471 HydrophobicContact CD1-CZ3 4.2Å; F240-W471 HydrophobicContact CD2-CE3 4.11Å; F240-W471 AromaticContact CD2-CZ3 3.98Å; F240-W471 HydrophobicContact CD2-CZ3 3.98Å; F240-W471 HydrophobicContact CE1-CE3 4.4Å; F240-W471 AromaticContact CG-CE3 3.71Å; F240-W471 HydrophobicContact CG-CE3 3.71Å; F240-W471 HydrophobicContact CG-CH2 4.5Å; F240-W471 AromaticContact CG-CZ3 3.63Å; F240-W471 HydrophobicContact CG-CZ3 3.63Å; F240-A473 HydrophobicContact CE1-CB 3.77Å; F240-A473 HydrophobicContact CZ-CB 3.62Å; F240-D475 WeakPolarHBondContact CE1-O 3.36Å; F240-P476 WeakPolarHBondContact CD1-O 3.48Å; F240-P476 VanDerWaalsContact CE1-CA 3.49Å; F240-P476 WeakPolarHBondContact CE1-O 2.96Å; F240-P476 PolarHBondContact N-O 2.86Å; F240-Y479 WeakPolarHBondContact CA-OH 3.46Å; F240-Y479 HydrophobicContact CB-CE1 3.72Å; F240-Y479 HydrophobicContact CB-CE2 4.46Å; F240-Y479 WeakPolarHBondContact CB-OH 3.43Å; F240-Y479 PolarHBondContact N-OH 2.94Å |
| 241 | D | 96.4 | Very high | 91.8 | Very high | 85 Ų | 85 | 22.4 Ų | 22.4 | 46% | 0.455 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -77.5 | -11.1 | 178.8 | 64.9 | -17.2 | 0 | 0 | 0 | 112.9 | P239 W271 P476 | P239-D241 WeakPolarHBondContact CB-OD1 3.25Å; P239-D241 PolarHBondContact O-N 2.96Å; P239-D241 VanDerWaalsContact O-N 3.1Å; D241-W271 WeakPolarHBondContact O-CZ3 3.42Å; D241-P476 WeakPolarHBondContact OD1-CB 3.4Å |
| 242 | R | 97.8 | Very high | 90.8 | Very high | 30 Ų | 30 | 28.6 Ų | 28.6 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -111.9 | 19.2 | 171.3 | -58.9 | -177.5 | 61.1 | -169 | -3 | 113.1 | P239 F240 S259 H265 T268 D270 W271 L272 | P239-R242 HydrophobicContact CG-CB 4.12Å; P239-R242 HydrophobicContact CG-CG 4.27Å; P239-R242 PolarHBondContact O-N 3.17Å; F240-R242 PolarHBondContact O-N 3.4Å; R242-S259 PolarHBondContact NH2-OG 3.03Å; R242-H265 PolarHBondContact NH1-O 3.27Å; R242-T268 PolarHBondContact NH1-O 3.08Å; R242-T268 PolarHBondContact NH1-OG1 3.5Å; R242-T268 VanDerWaalsContact NH1-OG1 3.17Å; R242-T268 PolarHBondContact NH2-OG1 3.48Å; R242-D270 PolarHBondContact NE-O 3Å; R242-D270 PolarHBondContact NH2-O 3.1Å; R242-W271 VanDerWaalsContact C-CE3 3.45Å; R242-L272 HydrophobicContact CB-CB 4.45Å; R242-L272 HydrophobicContact CB-CD1 3.99Å; R242-L272 HydrophobicContact CB-CG 4.12Å; R242-L272 PolarHBondContact O-N 2.84Å |
| 243 | I | 97.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.4 | 167.9 | -55.9 | 178.1 | 0 | 0 | 0 | 108.6 | D233 L238 F240 L273 L275 Y460 Y479 | D233-I243 HydrophobicContact CB-CD1 4.43Å; D233-I243 VanDerWaalsContact OD1-CD1 3.3Å; D233-I243 WeakPolarHBondContact OD1-CD1 3.31Å; L238-I243 HydrophobicContact CB-CD1 3.73Å; L238-I243 HydrophobicContact CB-CG1 4.16Å; L238-I243 HydrophobicContact CD1-CD1 4.17Å; L238-I243 HydrophobicContact CD1-CG1 4.42Å; F240-I243 PolarHBondContact O-N 2.76Å; I243-L273 WeakPolarHBondContact CA-O 3.1Å; I243-L273 HydrophobicContact CG1-CB 4.32Å; I243-L273 HydrophobicContact CG2-CB 4.3Å; I243-L275 HydrophobicContact CG2-CD1 3.57Å; I243-L275 HydrophobicContact CG2-CD2 4.39Å; I243-L275 HydrophobicContact CG2-CG 3.65Å; I243-Y460 HydrophobicContact CB-CE2 4.44Å; I243-Y460 HydrophobicContact CG2-CE2 4.17Å; I243-Y460 PolarHBondContact O-OH 2.96Å; I243-Y460 VanDerWaalsContact O-OH 3.1Å; I243-Y479 VanDerWaalsContact CD1-OH 3.29Å; I243-Y479 WeakPolarHBondContact CD1-OH 3.42Å |
| 244 | L | 95.4 | Very high | 90.2 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.089 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.2 | 177.3 | -178.9 | 73.3 | 0 | 0 | 0 | 110.7 | F256 W271 L273 L274 L275 | L244-F256 HydrophobicContact CD2-CD1 3.52Å; L244-F256 HydrophobicContact CD2-CD2 4.16Å; L244-F256 HydrophobicContact CD2-CE1 3.27Å; L244-F256 HydrophobicContact CD2-CE2 3.94Å; L244-F256 HydrophobicContact CD2-CG 3.96Å; L244-F256 HydrophobicContact CD2-CZ 3.49Å; L244-F256 VanDerWaalsContact CD2-CZ 3.49Å; L244-W271 HydrophobicContact CB-CD2 3.9Å; L244-W271 HydrophobicContact CB-CE3 3.77Å; L244-W271 HydrophobicContact CB-CG 4.48Å; L244-W271 HydrophobicContact CB-CH2 4.44Å; L244-W271 HydrophobicContact CB-CZ3 4.06Å; L244-W271 HydrophobicContact CD1-CH2 4.08Å; L244-W271 HydrophobicContact CD1-CZ2 3.97Å; L244-L273 PolarHBondContact N-O 3.45Å; L244-L274 HydrophobicContact CB-CD2 3.64Å; L244-L274 HydrophobicContact CD2-CD2 3.89Å; L244-L274 HydrophobicContact CG-CD2 4.4Å; L244-L274 CarbonylContact O-C 3.49Å; L244-L275 PolarHBondContact O-N 2.91Å |
| 245 | F | 93.3 | Very high | 90.5 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 105 | 163.1 | -169 | -112.9 | 0 | 0 | 0 | 110.5 | N247 L275 P277 V286 F454 Y455 Y460 | F245-N247 PolarHBondContact O-N 2.92Å; F245-L275 HydrophobicContact CD2-CB 3.89Å; F245-L275 HydrophobicContact CD2-CD1 4.44Å; F245-P277 HydrophobicContact CE1-CG 4.25Å; F245-P277 HydrophobicContact CE2-CB 4.01Å; F245-P277 HydrophobicContact CE2-CG 3.97Å; F245-P277 HydrophobicContact CZ-CB 3.81Å; F245-P277 HydrophobicContact CZ-CG 3.66Å; F245-V286 HydrophobicContact CE2-CG1 4.14Å; F245-F454 HydrophobicContact CE1-CE1 4.19Å; F245-F454 AromaticContact CZ-CE1 4Å; F245-F454 HydrophobicContact CZ-CE1 4Å; F245-F454 HydrophobicContact CZ-CZ 4.34Å; F245-Y455 HydrophobicContact CD1-CD1 4.19Å; F245-Y455 AromaticContact CE1-CD1 3.75Å; F245-Y455 HydrophobicContact CE1-CD1 3.75Å; F245-Y455 HydrophobicContact CE1-CE1 4.14Å; F245-Y460 HydrophobicContact CB-CD1 4.27Å; F245-Y460 HydrophobicContact CB-CD2 3.8Å; F245-Y460 HydrophobicContact CB-CE2 4.09Å; F245-Y460 HydrophobicContact CB-CG 3.88Å; F245-Y460 HydrophobicContact CD2-CD2 4.45Å; F245-Y460 HydrophobicContact CD2-CG 4.48Å; F245-Y460 HydrophobicContact CG-CD2 4.35Å; F245-Y460 HydrophobicContact CG-CG 4.17Å |
| 246 | F | 93 | Very high | 90.7 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | trans | -68.9 | 119.5 | -172.4 | -178.8 | -104 | 0 | 0 | 0 | 112 | A248 Q251 F256 L275 I276 P277 I364 | F246-A248 HydrophobicContact CD1-CB 4.28Å; F246-A248 HydrophobicContact CE1-CB 3.72Å; F246-Q251 HydrophobicContact CD2-CB 4.24Å; F246-Q251 VanDerWaalsContact CD2-OE1 3.29Å; F246-Q251 HydrophobicContact CE2-CB 3.66Å; F246-Q251 WeakPolarHBondContact CE2-O 3.2Å; F246-Q251 HydrophobicContact CZ-CB 4.28Å; F246-Q251 VanDerWaalsContact CZ-O 3.29Å; F246-Q251 WeakPolarHBondContact CZ-O 3.48Å; F246-F256 AromaticContact CD2-CE2 3.68Å; F246-F256 HydrophobicContact CD2-CE2 3.68Å; F246-F256 AromaticContact CD2-CZ 3.73Å; F246-F256 HydrophobicContact CD2-CZ 3.73Å; F246-F256 AromaticContact CE2-CE2 3.75Å; F246-F256 HydrophobicContact CE2-CE2 3.75Å; F246-F256 AromaticContact CE2-CZ 3.86Å; F246-F256 HydrophobicContact CE2-CZ 3.86Å; F246-L275 PolarHBondContact N-O 3.17Å; F246-I276 HydrophobicContact CB-CG1 4.18Å; F246-I276 HydrophobicContact CD1-CG2 4.01Å; F246-P277 WeakPolarHBondContact O-CD 3.13Å; F246-I364 HydrophobicContact CD1-CG2 3.83Å; F246-I364 HydrophobicContact CD2-CB 4.35Å; F246-I364 HydrophobicContact CD2-CD1 4.3Å; F246-I364 HydrophobicContact CD2-CG2 4.22Å; F246-I364 HydrophobicContact CE1-CB 4.44Å; F246-I364 HydrophobicContact CE1-CG2 3.51Å; F246-I364 HydrophobicContact CE2-CB 3.99Å; F246-I364 HydrophobicContact CE2-CG2 3.94Å; F246-I364 HydrophobicContact CG-CD1 4.49Å; F246-I364 HydrophobicContact CG-CG2 4.16Å; F246-I364 HydrophobicContact CZ-CB 4.03Å; F246-I364 HydrophobicContact CZ-CG2 3.58Å | ||
| 247 | N | 90.2 | Very high | 90.9 | Very high | 27 Ų | 27 | 43.6 Ų | 43.6 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | trans | -100.6 | 94.7 | 173.2 | -176.8 | -7.3 | 0 | 0 | 0 | 109.9 | F245 S249 T250 Q251 Y455 | F245-N247 PolarHBondContact O-N 2.92Å; N247-S249 PolarHBondContact O-N 3.28Å; N247-S249 WeakPolarHBondContact OD1-CA 3.12Å; N247-S249 VanDerWaalsContact OD1-CB 3.23Å; N247-S249 WeakPolarHBondContact OD1-CB 3.36Å; N247-S249 PolarHBondContact OD1-N 3.22Å; N247-S249 PolarHBondContact OD1-OG 3.08Å; N247-T250 PolarHBondContact ND2-OG1 2.59Å; N247-T250 PolarHBondContact O-N 3.01Å; N247-T250 VanDerWaalsContact O-N 3.13Å; N247-Q251 WeakPolarHBondContact O-CB 3.26Å; N247-Q251 PolarHBondContact O-N 2.86Å; N247-Y455 HydrophobicContact CB-CD1 3.71Å; N247-Y455 HydrophobicContact CB-CE1 4.05Å; N247-Y455 HydrophobicContact CB-CG 4.02Å; N247-Y455 VanDerWaalsContact CG-CG 3.42Å; N247-Y455 WeakPolarHBondContact ND2-CB 3.43Å; N247-Y455 WeakPolarHBondContact OD1-CD2 3.48Å; N247-Y455 WeakPolarHBondContact OD1-CE2 3.32Å | ||
| 248 | A | 84.8 | Confident | 91 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -27.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | F246 T250 K252 F368 | F246-A248 HydrophobicContact CD1-CB 4.28Å; F246-A248 HydrophobicContact CE1-CB 3.72Å; A248-T250 PolarHBondContact O-N 3.03Å; A248-K252 WeakPolarHBondContact O-CD 3.36Å; A248-K252 WeakPolarHBondContact O-CE 3.4Å; A248-K252 WeakPolarHBondContact O-CG 3.48Å; A248-F368 VanDerWaalsContact CB-O 3.25Å; A248-F368 WeakPolarHBondContact CB-O 3.39Å |
| 249 | S | 77.2 | Confident | 91 | Very high | 60 Ų | 60 | 43.6 Ų | 43.6 | 42% | 0.42 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -30.8 | -178.4 | -51.7 | 0 | 0 | 0 | 0 | 113.8 | N247 | N247-S249 PolarHBondContact O-N 3.28Å; N247-S249 WeakPolarHBondContact OD1-CA 3.12Å; N247-S249 VanDerWaalsContact OD1-CB 3.23Å; N247-S249 WeakPolarHBondContact OD1-CB 3.36Å; N247-S249 PolarHBondContact OD1-N 3.22Å; N247-S249 PolarHBondContact OD1-OG 3.08Å |
| 250 | T | 81 | Confident | 91.1 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 64% | 0.644 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | -17.2 | -174.5 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | N247 A248 | N247-T250 PolarHBondContact ND2-OG1 2.59Å; N247-T250 PolarHBondContact O-N 3.01Å; N247-T250 VanDerWaalsContact O-N 3.13Å; A248-T250 PolarHBondContact O-N 3.03Å |
| 251 | Q | 76.6 | Confident | 91.2 | Very high | 56 Ų | 56 | 42.6 Ų | 42.6 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | trans | -114.6 | 64.2 | -172.1 | -61.1 | 170.4 | -31.6 | 0 | 0 | 111.1 | F246 N247 P253 G254 | F246-Q251 HydrophobicContact CD2-CB 4.24Å; F246-Q251 VanDerWaalsContact CD2-OE1 3.29Å; F246-Q251 HydrophobicContact CE2-CB 3.66Å; F246-Q251 WeakPolarHBondContact CE2-O 3.2Å; F246-Q251 HydrophobicContact CZ-CB 4.28Å; F246-Q251 VanDerWaalsContact CZ-O 3.29Å; F246-Q251 WeakPolarHBondContact CZ-O 3.48Å; N247-Q251 WeakPolarHBondContact O-CB 3.26Å; N247-Q251 PolarHBondContact O-N 2.86Å; Q251-P253 CarbonylContact O-C 3.51Å; Q251-G254 PolarHBondContact O-N 3.4Å; Q251-G254 VanDerWaalsContact O-N 3.12Å | ||
| 252 | K | 73.2 | Confident | 91.2 | Very high | 129 Ų | 129 | 38.9 Ų | 38.9 | 56% | 0.561 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -116.3 | 119.3 | -172.6 | -62.8 | -168.7 | -177.6 | 179.8 | 0 | 114.8 | A248 | A248-K252 WeakPolarHBondContact O-CD 3.36Å; A248-K252 WeakPolarHBondContact O-CE 3.4Å; A248-K252 WeakPolarHBondContact O-CG 3.48Å |
| 253 | P | 83.8 | Confident | 91.2 | Very high | 76 Ų | 76 | 39.2 Ų | 39.2 | 49% | 0.494 | 20% | 0.204 | S | C | . | . | S | Bend | cis | -64.4 | 154.2 | -33.5 | 31.1 | -34.3 | 0 | 0 | 0 | 110.7 | Q251 K363 | Q251-P253 CarbonylContact O-C 3.51Å; P253-K363 HydrophobicContact CB-CG 4.35Å |
| 254 | G | 92.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 135.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q251 K363 I364 | Q251-G254 PolarHBondContact O-N 3.4Å; Q251-G254 VanDerWaalsContact O-N 3.12Å; G254-K363 CarbonylContact O-C 3.59Å; G254-K363 WeakPolarHBondContact O-CA 3.31Å; G254-I364 PolarHBondContact N-O 3.31Å; G254-I364 PolarHBondContact O-N 3.1Å |
| 255 | I | 96 | Very high | 91.3 | Very high | 105 Ų | 105 | 39.7 Ų | 39.7 | 54% | 0.538 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.4 | 170.7 | -61.4 | 175.1 | 0 | 0 | 0 | 107.4 | L353 T361 V362 K363 | I255-L353 HydrophobicContact CD1-CD1 4.17Å; I255-L353 HydrophobicContact CG1-CD1 4.27Å; I255-L353 HydrophobicContact CG2-CD1 4.08Å; I255-T361 HydrophobicContact CG2-CG2 3.5Å; I255-V362 WeakPolarHBondContact CA-O 3.41Å; I255-K363 HydrophobicContact CG1-CB 4.39Å; I255-K363 HydrophobicContact CG1-CG 4.29Å |
| 256 | F | 96.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 10% | 0.101 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.7 | -173.7 | -52.8 | -74 | 0 | 0 | 0 | 110.3 | L244 F246 L274 T361 V362 I364 | L244-F256 HydrophobicContact CD2-CD1 3.52Å; L244-F256 HydrophobicContact CD2-CD2 4.16Å; L244-F256 HydrophobicContact CD2-CE1 3.27Å; L244-F256 HydrophobicContact CD2-CE2 3.94Å; L244-F256 HydrophobicContact CD2-CG 3.96Å; L244-F256 HydrophobicContact CD2-CZ 3.49Å; L244-F256 VanDerWaalsContact CD2-CZ 3.49Å; F246-F256 AromaticContact CD2-CE2 3.68Å; F246-F256 HydrophobicContact CD2-CE2 3.68Å; F246-F256 AromaticContact CD2-CZ 3.73Å; F246-F256 HydrophobicContact CD2-CZ 3.73Å; F246-F256 AromaticContact CE2-CE2 3.75Å; F246-F256 HydrophobicContact CE2-CE2 3.75Å; F246-F256 AromaticContact CE2-CZ 3.86Å; F246-F256 HydrophobicContact CE2-CZ 3.86Å; F256-L274 HydrophobicContact CB-CD1 4.11Å; F256-L274 HydrophobicContact CB-CD2 4.4Å; F256-L274 HydrophobicContact CD2-CD1 4.12Å; F256-L274 HydrophobicContact CG-CD1 4.35Å; F256-T361 CarbonylContact O-C 3.45Å; F256-T361 WeakPolarHBondContact O-CA 3.36Å; F256-V362 HydrophobicContact CB-CG1 4.07Å; F256-V362 PolarHBondContact N-O 3.37Å; F256-V362 PolarHBondContact O-N 2.96Å; F256-I364 HydrophobicContact CD2-CD1 3.88Å; F256-I364 HydrophobicContact CD2-CG1 4.3Å; F256-I364 HydrophobicContact CE2-CB 4.3Å; F256-I364 HydrophobicContact CE2-CD1 3.9Å; F256-I364 HydrophobicContact CE2-CG1 4.33Å |
| 257 | R | 97.4 | Very high | 91.6 | Very high | 122 Ų | 122 | 49.4 Ų | 49.4 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 142.9 | 167.1 | -65.9 | 177.7 | 73.3 | 168.6 | 5.1 | 109.4 | D270 W271 E359 A360 | R257-D270 HydrophobicContact CB-CB 3.86Å; R257-D270 WeakPolarHBondContact CB-OD1 3.48Å; R257-D270 IonicContact CZ-OD2 3.81Å; R257-D270 IonicContact NE-OD1 3.72Å; R257-D270 IonicContact NE-OD2 3.01Å; R257-D270 PolarHBondContact NE-OD2 3.2Å; R257-W271 WeakPolarHBondContact O-CB 3.41Å; R257-W271 PolarHBondContact O-N 2.9Å; R257-E359 IonicContact CZ-OE2 3.61Å; R257-E359 IonicContact NH2-OE1 3.64Å; R257-E359 IonicContact NH2-OE2 2.72Å; R257-E359 PolarHBondContact NH2-OE2 3.32Å; R257-A360 CarbonylContact C-O 3.52Å; R257-A360 VanDerWaalsContact CA-O 3.28Å; R257-A360 WeakPolarHBondContact CA-O 3.21Å |
| 258 | L | 98.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.4 | 177.6 | -72.7 | 166.4 | 0 | 0 | 0 | 109.7 | W271 L274 V289 L291 L306 E359 A360 V362 | L258-W271 CarbonylContact C-O 3.4Å; L258-W271 VanDerWaalsContact CA-O 3.3Å; L258-W271 WeakPolarHBondContact CA-O 3.17Å; L258-W271 HydrophobicContact CD2-CB 3.8Å; L258-W271 WeakPolarHBondContact CD2-O 3.49Å; L258-L274 HydrophobicContact CD1-CD1 4.19Å; L258-L274 HydrophobicContact CD1-CG 4.44Å; L258-L274 HydrophobicContact CD2-CD1 4.22Å; L258-L274 HydrophobicContact CD2-CD2 3.86Å; L258-L274 HydrophobicContact CD2-CG 3.76Å; L258-L274 HydrophobicContact CG-CD1 4.42Å; L258-L274 HydrophobicContact CG-CG 4.48Å; L258-V289 HydrophobicContact CD1-CG1 3.94Å; L258-L291 HydrophobicContact CB-CB 4.27Å; L258-L306 HydrophobicContact CD1-CD2 3.53Å; L258-E359 CarbonylContact O-C 3.46Å; L258-E359 VanDerWaalsContact O-CA 3.29Å; L258-E359 WeakPolarHBondContact O-CA 3.38Å; L258-A360 HydrophobicContact CB-CB 4.44Å; L258-A360 PolarHBondContact N-O 3.27Å; L258-A360 PolarHBondContact O-N 3.42Å; L258-V362 HydrophobicContact CD1-CB 4.39Å; L258-V362 HydrophobicContact CD1-CG1 3.72Å; L258-V362 HydrophobicContact CG-CG1 4.27Å |
| 259 | S | 97.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 148.1 | 168 | -67.1 | 0 | 0 | 0 | 0 | 110.3 | R242 T268 D270 W271 | R242-S259 PolarHBondContact NH2-OG 3.03Å; S259-T268 WeakPolarHBondContact OG-CB 3.4Å; S259-D270 WeakPolarHBondContact OG-CB 3.48Å; S259-D270 PolarHBondContact OG-N 2.92Å; S259-D270 VanDerWaalsContact OG-N 3.13Å; S259-W271 PolarHBondContact N-O 2.8Å |
| 260 | S | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 132.7 | -178.9 | -170.6 | 0 | 0 | 0 | 0 | 112.7 | S262 L263 L291 T293 S358 | S260-S262 PolarHBondContact O-N 3.33Å; S260-S262 WeakPolarHBondContact OG-CB 3.38Å; S260-S262 PolarHBondContact OG-N 2.89Å; S260-S262 PolarHBondContact OG-OG 3.32Å; S260-L263 PolarHBondContact O-N 2.69Å; S260-L291 CarbonylContact C-O 3.45Å; S260-L291 VanDerWaalsContact CA-O 3.25Å; S260-L291 WeakPolarHBondContact CA-O 3.44Å; S260-L291 PolarHBondContact OG-O 3.2Å; S260-T293 WeakPolarHBondContact CB-OG1 3.42Å; S260-T293 PolarHBondContact OG-N 2.99Å; S260-T293 PolarHBondContact OG-OG1 2.86Å; S260-S358 PolarHBondContact N-O 3.09Å |
| 261 | L | 97.9 | Very high | 94.2 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.7 | 171.7 | -67.9 | 176.1 | 0 | 0 | 0 | 113.5 | L232 L238 L263 L272 E290 L291 | L232-L261 HydrophobicContact CD1-CD1 4.19Å; L232-L261 HydrophobicContact CD1-CD2 4.38Å; L238-L261 HydrophobicContact CD2-CD2 3.53Å; L261-L263 PolarHBondContact O-N 3.09Å; L261-L272 HydrophobicContact CD2-CB 3.85Å; L261-L272 HydrophobicContact CD2-CD2 4.06Å; L261-L272 HydrophobicContact CD2-CG 4.44Å; L261-E290 HydrophobicContact CD1-CB 3.73Å; L261-E290 HydrophobicContact CD1-CG 4.33Å; L261-E290 WeakPolarHBondContact CD1-OE2 3.43Å; L261-L291 PolarHBondContact N-O 3.16Å |
| 262 | S | 97.3 | Very high | 95.2 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -5.6 | 177.2 | -46.4 | 0 | 0 | 0 | 0 | 112.9 | S260 T293 D298 | S260-S262 PolarHBondContact O-N 3.33Å; S260-S262 WeakPolarHBondContact OG-CB 3.38Å; S260-S262 PolarHBondContact OG-N 2.89Å; S260-S262 PolarHBondContact OG-OG 3.32Å; S262-T293 VanDerWaalsContact CB-O 3.26Å; S262-T293 WeakPolarHBondContact CB-O 3.43Å; S262-T293 PolarHBondContact OG-N 2.94Å; S262-T293 PolarHBondContact OG-O 2.73Å; S262-D298 VanDerWaalsContact CB-OD2 3.27Å; S262-D298 WeakPolarHBondContact CB-OD2 3.24Å; S262-D298 PolarHBondContact OG-OD2 2.85Å |
| 263 | L | 97.6 | Very high | 96.4 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -114.9 | 155.2 | -178.5 | -64.1 | -176.6 | 0 | 0 | 0 | 111.4 | S260 L261 H265 T268 A295 | S260-L263 PolarHBondContact O-N 2.69Å; L261-L263 PolarHBondContact O-N 3.09Å; L263-H265 PolarHBondContact O-N 3.07Å; L263-T268 HydrophobicContact CB-CG2 4.21Å; L263-T268 HydrophobicContact CD1-CG2 4.11Å; L263-A295 HydrophobicContact CD2-CB 3.79Å |
| 264 | P | 97.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 42 Ų | 42 | 16% | 0.156 | 20% | 0.203 | C | C | . | . | trans | -56.9 | 136.7 | 170.5 | -9.9 | 19.5 | 0 | 0 | 0 | 111 | N77 H266 T267 | N77-P264 WeakPolarHBondContact OD1-CA 3.41Å; P264-H266 VanDerWaalsContact C-N 3.28Å; P264-H266 WeakPolarHBondContact CB-CE1 3.39Å; P264-H266 PolarHBondContact O-N 2.94Å; P264-T267 HydrophobicContact CB-CG2 4.1Å; P264-T267 HydrophobicContact CG-CG2 4.06Å; P264-T267 PolarHBondContact O-N 2.97Å; P264-T267 VanDerWaalsContact O-N 3.1Å; P264-T267 PolarHBondContact O-OG1 2.72Å | ||
| 265 | H | 97.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -62.8 | -37.6 | -175 | -60.9 | 163.2 | 0 | 0 | 0 | 111.7 | N77 W237 R242 L263 T267 T268 L272 Y477 | N77-H265 PolarHBondContact ND2-CE1 3.4Å; N77-H265 PolarHBondContact ND2-ND1 2.88Å; N77-H265 PolarHBondContact ND2-NE2 3.02Å; N77-H265 VanDerWaalsContact ND2-NE2 3.14Å; N77-H265 PolarHBondContact OD1-N 2.77Å; W237-H265 PolarHBondContact O-CE1 3.2Å; R242-H265 PolarHBondContact NH1-O 3.27Å; L263-H265 PolarHBondContact O-N 3.07Å; H265-T267 PolarHBondContact O-N 2.71Å; H265-T267 VanDerWaalsContact O-N 3.14Å; H265-T268 PolarHBondContact O-N 2.8Å; H265-T268 VanDerWaalsContact O-N 3.08Å; H265-T268 PolarHBondContact O-OG1 2.75Å; H265-T268 VanDerWaalsContact O-OG1 3.05Å; H265-L272 HydrophobicContact CB-CD1 4.07Å; H265-Y477 WeakPolarHBondContact CB-OH 3.03Å; H265-Y477 AromaticContact ND1-CE1 3.99Å; H265-Y477 AromaticContact ND1-CZ 3.83Å; H265-Y477 PolarHBondContact ND1-OH 2.56Å |
| 266 | H | 95.9 | Very high | 97.1 | Very high | 156 Ų | 156 | 36.8 Ų | 36.8 | 72% | 0.722 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -65 | -16.9 | 179.5 | 68.9 | -93.4 | 0 | 0 | 0 | 114.2 | P264 T268 | P264-H266 VanDerWaalsContact C-N 3.28Å; P264-H266 WeakPolarHBondContact CB-CE1 3.39Å; P264-H266 PolarHBondContact O-N 2.94Å; H266-T268 VanDerWaalsContact C-N 3.31Å |
| 267 | T | 97 | Very high | 96.8 | Very high | 80 Ų | 80 | 35.8 Ų | 35.8 | 49% | 0.491 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -91 | 5.2 | 177 | 71 | 0 | 0 | 0 | 0 | 112.8 | P264 H265 | P264-T267 HydrophobicContact CB-CG2 4.1Å; P264-T267 HydrophobicContact CG-CG2 4.06Å; P264-T267 PolarHBondContact O-N 2.97Å; P264-T267 VanDerWaalsContact O-N 3.1Å; P264-T267 PolarHBondContact O-OG1 2.72Å; H265-T267 PolarHBondContact O-N 2.71Å; H265-T267 VanDerWaalsContact O-N 3.14Å |
| 268 | T | 96.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 30.8 Ų | 30.8 | 9% | 0.092 | 15% | 0.152 | C | C | . | . | trans | -136.1 | 161 | -176.7 | 62.9 | 0 | 0 | 0 | 0 | 110.4 | R242 S259 L263 H265 H266 | R242-T268 PolarHBondContact NH1-O 3.08Å; R242-T268 PolarHBondContact NH1-OG1 3.5Å; R242-T268 VanDerWaalsContact NH1-OG1 3.17Å; R242-T268 PolarHBondContact NH2-OG1 3.48Å; S259-T268 WeakPolarHBondContact OG-CB 3.4Å; L263-T268 HydrophobicContact CB-CG2 4.21Å; L263-T268 HydrophobicContact CD1-CG2 4.11Å; H265-T268 PolarHBondContact O-N 2.8Å; H265-T268 VanDerWaalsContact O-N 3.08Å; H265-T268 PolarHBondContact O-OG1 2.75Å; H265-T268 VanDerWaalsContact O-OG1 3.05Å; H266-T268 VanDerWaalsContact C-N 3.31Å | ||
| 269 | Q | 94.8 | Very high | 95.7 | Very high | 167 Ų | 167 | 32.4 Ų | 32.4 | 78% | 0.78 | 16% | 0.161 | S | C | * | . | trans | -126.4 | -24.3 | -170.9 | -62.9 | -65.2 | -31.9 | 0 | 0 | 114.6 | ||||
| 270 | D | 97.7 | Very high | 95.1 | Very high | 36 Ų | 36 | 33.1 Ų | 33.1 | 19% | 0.193 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -81.9 | -175.2 | -174.6 | -65.1 | -55.2 | 0 | 0 | 0 | 112.6 | R242 R257 S259 | R242-D270 PolarHBondContact NE-O 3Å; R242-D270 PolarHBondContact NH2-O 3.1Å; R257-D270 HydrophobicContact CB-CB 3.86Å; R257-D270 WeakPolarHBondContact CB-OD1 3.48Å; R257-D270 IonicContact CZ-OD2 3.81Å; R257-D270 IonicContact NE-OD1 3.72Å; R257-D270 IonicContact NE-OD2 3.01Å; R257-D270 PolarHBondContact NE-OD2 3.2Å; S259-D270 WeakPolarHBondContact OG-CB 3.48Å; S259-D270 PolarHBondContact OG-N 2.92Å; S259-D270 VanDerWaalsContact OG-N 3.13Å |
| 271 | W | 98.5 | Very high | 94.3 | Very high | 80 Ų | 80 | 36.3 Ų | 36.3 | 30% | 0.303 | 18% | 0.18 | S | C | . | . | B | Isolated β-bridge | trans | -59.4 | 145 | 175.8 | -60.6 | 103.2 | 0 | 0 | 0 | 111.2 | D241 R242 L244 R257 L258 S259 L274 | D241-W271 WeakPolarHBondContact O-CZ3 3.42Å; R242-W271 VanDerWaalsContact C-CE3 3.45Å; L244-W271 HydrophobicContact CB-CD2 3.9Å; L244-W271 HydrophobicContact CB-CE3 3.77Å; L244-W271 HydrophobicContact CB-CG 4.48Å; L244-W271 HydrophobicContact CB-CH2 4.44Å; L244-W271 HydrophobicContact CB-CZ3 4.06Å; L244-W271 HydrophobicContact CD1-CH2 4.08Å; L244-W271 HydrophobicContact CD1-CZ2 3.97Å; R257-W271 WeakPolarHBondContact O-CB 3.41Å; R257-W271 PolarHBondContact O-N 2.9Å; L258-W271 CarbonylContact C-O 3.4Å; L258-W271 VanDerWaalsContact CA-O 3.3Å; L258-W271 WeakPolarHBondContact CA-O 3.17Å; L258-W271 HydrophobicContact CD2-CB 3.8Å; L258-W271 WeakPolarHBondContact CD2-O 3.49Å; S259-W271 PolarHBondContact N-O 2.8Å; W271-L274 HydrophobicContact CB-CD2 3.77Å; W271-L274 HydrophobicContact CG-CD2 3.98Å |
| 272 | L | 98.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -100 | -31.2 | 175.4 | -69.3 | 170.3 | 0 | 0 | 0 | 111.5 | P239 R242 L261 H265 | P239-L272 HydrophobicContact CG-CD1 3.86Å; R242-L272 HydrophobicContact CB-CB 4.45Å; R242-L272 HydrophobicContact CB-CD1 3.99Å; R242-L272 HydrophobicContact CB-CG 4.12Å; R242-L272 PolarHBondContact O-N 2.84Å; L261-L272 HydrophobicContact CD2-CB 3.85Å; L261-L272 HydrophobicContact CD2-CD2 4.06Å; L261-L272 HydrophobicContact CD2-CG 4.44Å; H265-L272 HydrophobicContact CB-CD1 4.07Å |
| 273 | L | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 135.9 | -180 | -167.8 | 68.1 | 0 | 0 | 0 | 110.4 | D233 L238 I243 L244 L275 E290 | D233-L273 HydrophobicContact CB-CD2 3.96Å; L238-L273 HydrophobicContact CD1-CB 3.83Å; L238-L273 HydrophobicContact CD1-CD2 3.69Å; L238-L273 HydrophobicContact CD1-CG 4.31Å; I243-L273 WeakPolarHBondContact CA-O 3.1Å; I243-L273 HydrophobicContact CG1-CB 4.32Å; I243-L273 HydrophobicContact CG2-CB 4.3Å; L244-L273 PolarHBondContact N-O 3.45Å; L273-L275 HydrophobicContact CD2-CD2 3.68Å; L273-L275 HydrophobicContact CG-CD2 4.03Å; L273-E290 HydrophobicContact CD1-CB 3.97Å |
| 274 | L | 97.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.5 | 168.3 | -44.6 | -179.3 | 0 | 0 | 0 | 108.8 | L244 F256 L258 W271 T288 V289 V362 I364 | L244-L274 HydrophobicContact CB-CD2 3.64Å; L244-L274 HydrophobicContact CD2-CD2 3.89Å; L244-L274 HydrophobicContact CG-CD2 4.4Å; L244-L274 CarbonylContact O-C 3.49Å; F256-L274 HydrophobicContact CB-CD1 4.11Å; F256-L274 HydrophobicContact CB-CD2 4.4Å; F256-L274 HydrophobicContact CD2-CD1 4.12Å; F256-L274 HydrophobicContact CG-CD1 4.35Å; L258-L274 HydrophobicContact CD1-CD1 4.19Å; L258-L274 HydrophobicContact CD1-CG 4.44Å; L258-L274 HydrophobicContact CD2-CD1 4.22Å; L258-L274 HydrophobicContact CD2-CD2 3.86Å; L258-L274 HydrophobicContact CD2-CG 3.76Å; L258-L274 HydrophobicContact CG-CD1 4.42Å; L258-L274 HydrophobicContact CG-CG 4.48Å; W271-L274 HydrophobicContact CB-CD2 3.77Å; W271-L274 HydrophobicContact CG-CD2 3.98Å; L274-T288 CarbonylContact O-C 3.59Å; L274-T288 WeakPolarHBondContact O-CA 2.99Å; L274-V289 HydrophobicContact CB-CB 4.1Å; L274-V289 HydrophobicContact CB-CG2 4.49Å; L274-V289 HydrophobicContact CD1-CB 4.27Å; L274-V289 HydrophobicContact CG-CB 4.32Å; L274-V289 PolarHBondContact N-O 2.8Å; L274-V289 PolarHBondContact O-N 3.22Å; L274-V362 HydrophobicContact CD1-CG1 3.47Å; L274-V362 VanDerWaalsContact CD1-CG1 3.47Å; L274-I364 HydrophobicContact CB-CD1 4.39Å; L274-I364 HydrophobicContact CD1-CD1 3.58Å |
| 275 | L | 95.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112.9 | 175.9 | -55.3 | 179.9 | 0 | 0 | 0 | 108.6 | I243 L244 F245 F246 L273 P277 V286 T288 Y460 | I243-L275 HydrophobicContact CG2-CD1 3.57Å; I243-L275 HydrophobicContact CG2-CD2 4.39Å; I243-L275 HydrophobicContact CG2-CG 3.65Å; L244-L275 PolarHBondContact O-N 2.91Å; F245-L275 HydrophobicContact CD2-CB 3.89Å; F245-L275 HydrophobicContact CD2-CD1 4.44Å; F246-L275 PolarHBondContact N-O 3.17Å; L273-L275 HydrophobicContact CD2-CD2 3.68Å; L273-L275 HydrophobicContact CG-CD2 4.03Å; L275-P277 WeakPolarHBondContact O-CD 3.47Å; L275-V286 HydrophobicContact CB-CB 4.47Å; L275-V286 HydrophobicContact CB-CG1 4.44Å; L275-V286 HydrophobicContact CB-CG2 4.48Å; L275-V286 HydrophobicContact CD2-CG2 4.14Å; L275-T288 HydrophobicContact CD2-CG2 3.66Å; L275-Y460 HydrophobicContact CD1-CD2 3.95Å; L275-Y460 HydrophobicContact CD1-CE2 4.4Å |
| 276 | I | 93.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 100.6 | -176.7 | -50.7 | 168.7 | 0 | 0 | 0 | 108.1 | F246 Y278 V286 F287 V289 I348 I350 I364 | F246-I276 HydrophobicContact CB-CG1 4.18Å; F246-I276 HydrophobicContact CD1-CG2 4.01Å; I276-Y278 PolarHBondContact O-N 2.82Å; I276-V286 CarbonylContact O-C 3.54Å; I276-V286 VanDerWaalsContact O-CA 3.23Å; I276-V286 WeakPolarHBondContact O-CA 3.48Å; I276-F287 HydrophobicContact CB-CB 4.3Å; I276-F287 PolarHBondContact N-O 3.14Å; I276-F287 PolarHBondContact O-N 3.37Å; I276-V289 HydrophobicContact CD1-CG2 3.74Å; I276-I348 HydrophobicContact CD1-CG2 4.43Å; I276-I348 HydrophobicContact CG2-CD1 3.92Å; I276-I348 HydrophobicContact CG2-CG1 4.18Å; I276-I348 HydrophobicContact CG2-CG2 3.87Å; I276-I350 HydrophobicContact CD1-CD1 3.69Å; I276-I350 HydrophobicContact CD1-CG1 3.75Å; I276-I364 HydrophobicContact CD1-CD1 3.53Å; I276-I364 HydrophobicContact CD1-CG1 4Å; I276-I364 HydrophobicContact CD1-CG2 3.99Å; I276-I364 HydrophobicContact CG1-CD1 3.9Å; I276-I364 HydrophobicContact CG1-CG2 4.49Å |
| 277 | P | 90.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 135.6 | -179.2 | 27.1 | -33.9 | 0 | 0 | 0 | 110.7 | F245 F246 L275 V286 F368 F454 Y455 | F245-P277 HydrophobicContact CE1-CG 4.25Å; F245-P277 HydrophobicContact CE2-CB 4.01Å; F245-P277 HydrophobicContact CE2-CG 3.97Å; F245-P277 HydrophobicContact CZ-CB 3.81Å; F245-P277 HydrophobicContact CZ-CG 3.66Å; F246-P277 WeakPolarHBondContact O-CD 3.13Å; L275-P277 WeakPolarHBondContact O-CD 3.47Å; P277-V286 HydrophobicContact CB-CG1 4.36Å; P277-F368 HydrophobicContact CB-CE1 3.9Å; P277-F368 HydrophobicContact CG-CD1 4.37Å; P277-F368 HydrophobicContact CG-CE1 4.02Å; P277-F368 WeakPolarHBondContact O-CD1 3.29Å; P277-F368 VanDerWaalsContact O-CE1 3.28Å; P277-F368 WeakPolarHBondContact O-CE1 3.43Å; P277-F454 HydrophobicContact CB-CE1 3.88Å; P277-F454 HydrophobicContact CB-CZ 3.8Å; P277-F454 HydrophobicContact CG-CE1 3.92Å; P277-F454 HydrophobicContact CG-CZ 4.36Å; P277-Y455 HydrophobicContact CG-CE1 3.94Å |
| 278 | Y | 88 | Confident | 90.8 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 7% | 0.067 | 12% | 0.122 | C | C | . | . | trans | -124.1 | -8.1 | 172.9 | 70.2 | -101.5 | 0 | 0 | 0 | 112.4 | I276 K285 V286 F287 Q310 I311 N340 M343 | I276-Y278 PolarHBondContact O-N 2.82Å; Y278-K285 VanDerWaalsContact CD1-O 3.3Å; Y278-K285 WeakPolarHBondContact CD1-O 3.38Å; Y278-K285 HydrophobicContact CD2-CB 4.3Å; Y278-K285 HydrophobicContact CE1-CB 3.99Å; Y278-K285 HydrophobicContact CE2-CB 3.71Å; Y278-K285 HydrophobicContact CE2-CD 4.26Å; Y278-K285 HydrophobicContact CE2-CG 4.35Å; Y278-K285 PolarHBondContact N-O 2.92Å; Y278-V286 VanDerWaalsContact CD1-C 3.46Å; Y278-V286 VanDerWaalsContact CE1-C 3.4Å; Y278-V286 WeakPolarHBondContact CE1-O 3.46Å; Y278-F287 HydrophobicContact CD1-CD1 4.29Å; Y278-F287 AromaticContact CD1-CD2 3.59Å; Y278-F287 HydrophobicContact CD1-CD2 3.59Å; Y278-F287 HydrophobicContact CD1-CE1 4.2Å; Y278-F287 AromaticContact CD1-CE2 3.49Å; Y278-F287 HydrophobicContact CD1-CE2 3.49Å; Y278-F287 VanDerWaalsContact CD1-CE2 3.49Å; Y278-F287 HydrophobicContact CD1-CG 4.01Å; Y278-F287 AromaticContact CD1-CZ 3.81Å; Y278-F287 HydrophobicContact CD1-CZ 3.81Å; Y278-F287 HydrophobicContact CE1-CD1 4.38Å; Y278-F287 HydrophobicContact CE1-CD2 4.44Å; Y278-F287 HydrophobicContact CE1-CE1 4.24Å; Y278-F287 HydrophobicContact CE1-CE2 4.31Å; Y278-F287 HydrophobicContact CE1-CG 4.48Å; Y278-F287 HydrophobicContact CE1-CZ 4.21Å; Y278-F287 HydrophobicContact CG-CD2 4.15Å; Y278-F287 AromaticContact CG-CE2 3.67Å; Y278-F287 HydrophobicContact CG-CE2 3.67Å; Y278-F287 HydrophobicContact CG-CZ 4.08Å; Y278-Q310 HydrophobicContact CE1-CG 3.69Å; Y278-Q310 WeakPolarHBondContact OH-CG 2.91Å; Y278-Q310 PolarHBondContact OH-NE2 2.94Å; Y278-I311 PolarHBondContact OH-O 2.97Å; Y278-N340 PolarHBondContact O-ND2 2.61Å; Y278-M343 WeakPolarHBondContact O-CE 3.32Å | ||
| 279 | D | 85.9 | Confident | 90.8 | Very high | 35 Ų | 35 | 24.7 Ų | 24.7 | 19% | 0.187 | 12% | 0.117 | C | C | . | . | trans | -120 | 133.6 | 171 | -162.7 | -49.9 | 0 | 0 | 0 | 109.7 | D281 D282 K285 | D279-D281 PolarHBondContact OD1-N 3.4Å; D279-D282 HydrophobicContact CB-CB 4.41Å; D279-D282 PolarHBondContact OD1-N 2.96Å; D279-K285 HydrophobicContact CB-CB 3.51Å; D279-K285 HydrophobicContact CB-CD 3.92Å; D279-K285 HydrophobicContact CB-CG 4.31Å; D279-K285 PolarHBondContact N-O 3.21Å | ||
| 280 | R | 84.6 | Confident | 90.9 | Very high | 16 Ų | 16 | 16.8 Ų | 16.8 | 6% | 0.06 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -89.3 | -24.5 | -176.8 | 64.9 | 174.8 | -172.2 | -80.2 | -18 | 113.4 | F368 P370 V372 E377 Y451 F454 | R280-F368 HydrophobicContact CB-CE2 4.3Å; R280-F368 HydrophobicContact CB-CZ 4.02Å; R280-P370 HydrophobicContact CB-CB 3.97Å; R280-P370 WeakPolarHBondContact CD-O 3.23Å; R280-V372 PolarHBondContact NH1-O 2.93Å; R280-E377 IonicContact CZ-OE2 2.71Å; R280-E377 IonicContact NH1-OE2 3.17Å; R280-E377 IonicContact NH2-OE1 3.7Å; R280-E377 PolarHBondContact NH2-OE1 3.44Å; R280-E377 IonicContact NH2-OE2 2.61Å; R280-E377 PolarHBondContact NH2-OE2 2.77Å; R280-Y451 WeakPolarHBondContact CD-OH 3.21Å; R280-Y451 HydrophobicContact CG-CE1 4.42Å; R280-Y451 PolarHBondContact NE-OH 3.25Å; R280-F454 WeakPolarHBondContact O-CE2 3.24Å |
| 281 | D | 80.4 | Confident | 90.8 | Very high | 67 Ų | 67 | 15 Ų | 15 | 36% | 0.358 | 7% | 0.071 | S | C | . | . | S | Bend | trans | -93 | -26.4 | -178.5 | -62.7 | -59.7 | 0 | 0 | 0 | 110 | D279 R447 | D279-D281 PolarHBondContact OD1-N 3.4Å; D281-R447 IonicContact OD1-CZ 3.92Å; D281-R447 IonicContact OD1-NE 3.07Å; D281-R447 PolarHBondContact OD1-NE 2.8Å; D281-R447 IonicContact OD1-NH2 2.8Å; D281-R447 PolarHBondContact OD1-NH2 3.05Å; D281-R447 IonicContact OD2-CZ 2.75Å; D281-R447 IonicContact OD2-NH2 2.72Å; D281-R447 PolarHBondContact OD2-NH2 3.14Å |
| 282 | D | 81.7 | Confident | 90.7 | Very high | 22 Ų | 22 | 11.4 Ų | 11.4 | 12% | 0.118 | 6% | 0.057 | C | C | . | . | trans | -120.7 | 91.7 | 171.6 | -170.2 | 9.4 | 0 | 0 | 0 | 112.6 | D279 Q284 K285 Y318 Y545 | D279-D282 HydrophobicContact CB-CB 4.41Å; D279-D282 PolarHBondContact OD1-N 2.96Å; D282-Q284 PolarHBondContact O-N 3.32Å; D282-Q284 PolarHBondContact OD1-N 2.92Å; D282-K285 HydrophobicContact CB-CD 4.18Å; D282-K285 HydrophobicContact CB-CG 4.3Å; D282-K285 WeakPolarHBondContact O-CB 3.39Å; D282-K285 PolarHBondContact O-N 3.41Å; D282-K285 WeakPolarHBondContact OD2-CE 3.1Å; D282-Y318 VanDerWaalsContact CG-OH 3.24Å; D282-Y318 PolarHBondContact OD1-OH 3.31Å; D282-Y318 VanDerWaalsContact OD2-CE1 3.31Å; D282-Y318 WeakPolarHBondContact OD2-CE1 3.46Å; D282-Y318 PolarHBondContact OD2-OH 3.49Å; D282-Y545 PolarHBondContact OD1-OH 3.36Å | ||
| 283 | P | 78 | Confident | 90.5 | Very high | 19 Ų | 19 | 11.8 Ų | 11.8 | 12% | 0.123 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -7 | -176.9 | 29.1 | -37.5 | 0 | 0 | 0 | 114.4 | V286 F454 M464 | P283-V286 WeakPolarHBondContact O-CG1 3.39Å; P283-F454 HydrophobicContact CB-CE2 4.02Å; P283-F454 HydrophobicContact CB-CZ 4.31Å; P283-M464 HydrophobicContact CG-CE 3.72Å; P283-M464 HydrophobicContact CG-SD 4.34Å |
| 284 | Q | 78.5 | Confident | 90.3 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -22.2 | 172.3 | -103.6 | -175.1 | -15.5 | 0 | 0 | 113.9 | D282 V286 I311 Y318 L462 Y545 F548 | D282-Q284 PolarHBondContact O-N 3.32Å; D282-Q284 PolarHBondContact OD1-N 2.92Å; Q284-V286 VanDerWaalsContact C-N 3.29Å; Q284-V286 PolarHBondContact O-N 3.19Å; Q284-I311 WeakPolarHBondContact O-CB 3.42Å; Q284-I311 WeakPolarHBondContact O-CG2 3.46Å; Q284-Y318 HydrophobicContact CB-CE1 4.06Å; Q284-L462 HydrophobicContact CG-CD2 4.11Å; Q284-Y545 HydrophobicContact CB-CE2 4.28Å; Q284-Y545 HydrophobicContact CG-CD2 3.73Å; Q284-Y545 HydrophobicContact CG-CE1 4.33Å; Q284-Y545 HydrophobicContact CG-CE2 3.42Å; Q284-Y545 VanDerWaalsContact CG-CE2 3.42Å; Q284-Y545 HydrophobicContact CG-CG 4.24Å; Q284-Y545 VanDerWaalsContact OE1-CE1 3.24Å; Q284-F548 HydrophobicContact CB-CE2 4.29Å; Q284-F548 HydrophobicContact CG-CE2 3.95Å |
| 285 | K | 87 | Confident | 90.2 | Very high | 42 Ų | 42 | 16 Ų | 16 | 18% | 0.183 | 9% | 0.089 | C | C | . | . | trans | -76.4 | 90.1 | 174.6 | -74.9 | -177.9 | -175.5 | 179.9 | 0 | 108.8 | Y278 D279 D282 S313 Y318 | Y278-K285 VanDerWaalsContact CD1-O 3.3Å; Y278-K285 WeakPolarHBondContact CD1-O 3.38Å; Y278-K285 HydrophobicContact CD2-CB 4.3Å; Y278-K285 HydrophobicContact CE1-CB 3.99Å; Y278-K285 HydrophobicContact CE2-CB 3.71Å; Y278-K285 HydrophobicContact CE2-CD 4.26Å; Y278-K285 HydrophobicContact CE2-CG 4.35Å; Y278-K285 PolarHBondContact N-O 2.92Å; D279-K285 HydrophobicContact CB-CB 3.51Å; D279-K285 HydrophobicContact CB-CD 3.92Å; D279-K285 HydrophobicContact CB-CG 4.31Å; D279-K285 PolarHBondContact N-O 3.21Å; D282-K285 HydrophobicContact CB-CD 4.18Å; D282-K285 HydrophobicContact CB-CG 4.3Å; D282-K285 WeakPolarHBondContact O-CB 3.39Å; D282-K285 PolarHBondContact O-N 3.41Å; D282-K285 WeakPolarHBondContact OD2-CE 3.1Å; K285-S313 VanDerWaalsContact CE-OG 3.26Å; K285-S313 WeakPolarHBondContact CE-OG 3.31Å; K285-S313 PolarHBondContact NZ-OG 2.96Å; K285-S313 VanDerWaalsContact NZ-OG 3.17Å; K285-Y318 HydrophobicContact CG-CE1 4.31Å | ||
| 286 | V | 91.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 151.2 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 109.3 | F245 L275 I276 P277 Y278 P283 Q284 T288 I311 | F245-V286 HydrophobicContact CE2-CG1 4.14Å; L275-V286 HydrophobicContact CB-CB 4.47Å; L275-V286 HydrophobicContact CB-CG1 4.44Å; L275-V286 HydrophobicContact CB-CG2 4.48Å; L275-V286 HydrophobicContact CD2-CG2 4.14Å; I276-V286 CarbonylContact O-C 3.54Å; I276-V286 VanDerWaalsContact O-CA 3.23Å; I276-V286 WeakPolarHBondContact O-CA 3.48Å; P277-V286 HydrophobicContact CB-CG1 4.36Å; Y278-V286 VanDerWaalsContact CD1-C 3.46Å; Y278-V286 VanDerWaalsContact CE1-C 3.4Å; Y278-V286 WeakPolarHBondContact CE1-O 3.46Å; P283-V286 WeakPolarHBondContact O-CG1 3.39Å; Q284-V286 VanDerWaalsContact C-N 3.29Å; Q284-V286 PolarHBondContact O-N 3.19Å; V286-T288 HydrophobicContact CG2-CG2 3.92Å; V286-I311 HydrophobicContact CG2-CB 4.34Å; V286-I311 HydrophobicContact CG2-CG1 3.72Å; V286-I311 WeakPolarHBondContact O-CG1 2.94Å; V286-I311 PolarHBondContact O-N 3.02Å |
| 287 | F | 94.4 | Very high | 90.4 | Very high | 11 Ų | 11 | 20.7 Ų | 20.7 | 5% | 0.048 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 138.6 | 154.3 | -60.2 | -70.5 | 0 | 0 | 0 | 107.8 | I276 Y278 V308 H309 Q310 L323 L338 I348 | I276-F287 HydrophobicContact CB-CB 4.3Å; I276-F287 PolarHBondContact N-O 3.14Å; I276-F287 PolarHBondContact O-N 3.37Å; Y278-F287 HydrophobicContact CD1-CD1 4.29Å; Y278-F287 AromaticContact CD1-CD2 3.59Å; Y278-F287 HydrophobicContact CD1-CD2 3.59Å; Y278-F287 HydrophobicContact CD1-CE1 4.2Å; Y278-F287 AromaticContact CD1-CE2 3.49Å; Y278-F287 HydrophobicContact CD1-CE2 3.49Å; Y278-F287 VanDerWaalsContact CD1-CE2 3.49Å; Y278-F287 HydrophobicContact CD1-CG 4.01Å; Y278-F287 AromaticContact CD1-CZ 3.81Å; Y278-F287 HydrophobicContact CD1-CZ 3.81Å; Y278-F287 HydrophobicContact CE1-CD1 4.38Å; Y278-F287 HydrophobicContact CE1-CD2 4.44Å; Y278-F287 HydrophobicContact CE1-CE1 4.24Å; Y278-F287 HydrophobicContact CE1-CE2 4.31Å; Y278-F287 HydrophobicContact CE1-CG 4.48Å; Y278-F287 HydrophobicContact CE1-CZ 4.21Å; Y278-F287 HydrophobicContact CG-CD2 4.15Å; Y278-F287 AromaticContact CG-CE2 3.67Å; Y278-F287 HydrophobicContact CG-CE2 3.67Å; Y278-F287 HydrophobicContact CG-CZ 4.08Å; F287-V308 HydrophobicContact CB-CG1 4.37Å; F287-H309 CarbonylContact C-O 3.51Å; F287-H309 WeakPolarHBondContact CA-O 3.35Å; F287-Q310 HydrophobicContact CD1-CB 3.74Å; F287-Q310 HydrophobicContact CD1-CG 3.87Å; F287-Q310 HydrophobicContact CE1-CB 3.66Å; F287-Q310 HydrophobicContact CE1-CG 3.46Å; F287-Q310 VanDerWaalsContact CE1-CG 3.46Å; F287-Q310 HydrophobicContact CZ-CG 4.33Å; F287-L323 HydrophobicContact CD1-CD1 3.75Å; F287-L323 HydrophobicContact CE1-CD1 3.71Å; F287-L338 HydrophobicContact CB-CD1 4.41Å; F287-L338 HydrophobicContact CD1-CD1 3.63Å; F287-L338 HydrophobicContact CD2-CD1 3.69Å; F287-L338 HydrophobicContact CE1-CD1 3.67Å; F287-L338 HydrophobicContact CE1-CD2 4.48Å; F287-L338 HydrophobicContact CE1-CG 4.44Å; F287-L338 HydrophobicContact CE2-CB 3.93Å; F287-L338 HydrophobicContact CE2-CD1 3.74Å; F287-L338 HydrophobicContact CE2-CG 4.44Å; F287-L338 HydrophobicContact CG-CD1 3.63Å; F287-L338 HydrophobicContact CZ-CB 3.88Å; F287-L338 HydrophobicContact CZ-CD1 3.73Å; F287-L338 HydrophobicContact CZ-CG 4.26Å; F287-I348 HydrophobicContact CD2-CD1 3.75Å; F287-I348 HydrophobicContact CD2-CG2 4.36Å; F287-I348 HydrophobicContact CE2-CD1 3.73Å |
| 288 | T | 96 | Very high | 90.7 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 145.5 | 170.9 | 69.3 | 0 | 0 | 0 | 0 | 109.7 | P230 L274 L275 V286 V308 H309 I311 | P230-T288 HydrophobicContact CG-CG2 3.87Å; P230-T288 WeakPolarHBondContact CG-OG1 3.25Å; L274-T288 CarbonylContact O-C 3.59Å; L274-T288 WeakPolarHBondContact O-CA 2.99Å; L275-T288 HydrophobicContact CD2-CG2 3.66Å; V286-T288 HydrophobicContact CG2-CG2 3.92Å; T288-V308 VanDerWaalsContact O-CA 3.25Å; T288-V308 WeakPolarHBondContact O-CA 3.2Å; T288-H309 PolarHBondContact N-O 2.87Å; T288-H309 PolarHBondContact O-N 3.32Å; T288-H309 VanDerWaalsContact O-N 3.09Å; T288-H309 WeakPolarHBondContact OG1-CB 3.29Å; T288-I311 HydrophobicContact CG2-CD1 4.26Å; T288-I311 HydrophobicContact CG2-CG1 4.14Å |
| 289 | V | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125 | 174.3 | -171 | 0 | 0 | 0 | 0 | 108.6 | L258 L274 I276 L306 L307 V308 I350 V362 | L258-V289 HydrophobicContact CD1-CG1 3.94Å; L274-V289 HydrophobicContact CB-CB 4.1Å; L274-V289 HydrophobicContact CB-CG2 4.49Å; L274-V289 HydrophobicContact CD1-CB 4.27Å; L274-V289 HydrophobicContact CG-CB 4.32Å; L274-V289 PolarHBondContact N-O 2.8Å; L274-V289 PolarHBondContact O-N 3.22Å; I276-V289 HydrophobicContact CD1-CG2 3.74Å; V289-L306 HydrophobicContact CG1-CD2 4.37Å; V289-L307 WeakPolarHBondContact CA-O 3.36Å; V289-V308 HydrophobicContact CG1-CG2 4.45Å; V289-V308 HydrophobicContact CG2-CG2 4.29Å; V289-I350 HydrophobicContact CG1-CG2 4.4Å; V289-I350 HydrophobicContact CG2-CD1 3.83Å; V289-I350 HydrophobicContact CG2-CG1 4.41Å; V289-I350 HydrophobicContact CG2-CG2 4.11Å; V289-V362 HydrophobicContact CG1-CG2 4.45Å |
| 290 | E | 96.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 163.1 | -178.5 | 65.9 | 178.2 | -162.3 | 0 | 0 | 112.1 | G229 L261 L273 R292 L306 L307 H309 | G229-E290 WeakPolarHBondContact CA-OE2 3.27Å; G229-E290 PolarHBondContact N-OE2 2.76Å; L261-E290 HydrophobicContact CD1-CB 3.73Å; L261-E290 HydrophobicContact CD1-CG 4.33Å; L261-E290 WeakPolarHBondContact CD1-OE2 3.43Å; L273-E290 HydrophobicContact CD1-CB 3.97Å; E290-R292 IonicContact OE1-NH1 3.36Å; E290-L306 CarbonylContact O-C 3.53Å; E290-L306 VanDerWaalsContact O-CA 3.27Å; E290-L306 WeakPolarHBondContact O-CA 3.3Å; E290-L306 VanDerWaalsContact O-CD2 3.3Å; E290-L306 WeakPolarHBondContact O-CD2 3.48Å; E290-L307 HydrophobicContact CG-CB 3.79Å; E290-L307 HydrophobicContact CG-CD1 4.44Å; E290-L307 HydrophobicContact CG-CG 4.41Å; E290-L307 PolarHBondContact N-O 2.95Å; E290-L307 PolarHBondContact O-N 3.41Å; E290-L307 WeakPolarHBondContact OE1-CD1 3.38Å; E290-H309 IonicContact OE1-CE1 3.07Å; E290-H309 PolarHBondContact OE1-CE1 3.12Å |
| 291 | L | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.9 | 173.5 | 174 | 60.5 | 0 | 0 | 0 | 110.6 | L258 S260 L261 T293 L306 L355 S358 E359 A360 | L258-L291 HydrophobicContact CB-CB 4.27Å; S260-L291 CarbonylContact C-O 3.45Å; S260-L291 VanDerWaalsContact CA-O 3.25Å; S260-L291 WeakPolarHBondContact CA-O 3.44Å; S260-L291 PolarHBondContact OG-O 3.2Å; L261-L291 PolarHBondContact N-O 3.16Å; L291-T293 HydrophobicContact CD1-CG2 4.06Å; L291-T293 HydrophobicContact CG-CG2 4.18Å; L291-L306 HydrophobicContact CB-CD2 3.98Å; L291-L306 HydrophobicContact CD1-CD2 4.36Å; L291-L355 HydrophobicContact CD1-CD1 3.45Å; L291-L355 VanDerWaalsContact CD1-CD1 3.45Å; L291-S358 WeakPolarHBondContact CD2-O 3.39Å; L291-E359 VanDerWaalsContact CD2-C 3.43Å; L291-A360 HydrophobicContact CD1-CB 4.23Å; L291-A360 HydrophobicContact CD2-CB 3.87Å; L291-A360 HydrophobicContact CG-CB 4.49Å |
| 292 | R | 95.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141 | 172 | -59.3 | -65.5 | -73.7 | -84.2 | -4.4 | 110.1 | F205 G226 L227 E290 D298 L301 G304 G305 L307 | F205-R292 PolarHBondContact O-NH1 2.66Å; F205-R292 VanDerWaalsContact O-NH1 3.12Å; F205-R292 PolarHBondContact O-NH2 2.95Å; G226-R292 PolarHBondContact O-NH2 3.26Å; L227-R292 PolarHBondContact O-NH1 2.97Å; E290-R292 IonicContact OE1-NH1 3.36Å; R292-D298 IonicContact CZ-OD1 3.7Å; R292-D298 IonicContact CZ-OD2 3.1Å; R292-D298 VanDerWaalsContact CZ-OD2 3.27Å; R292-D298 IonicContact NE-OD1 2.94Å; R292-D298 IonicContact NE-OD2 3.94Å; R292-D298 PolarHBondContact NE-OD2 2.95Å; R292-D298 IonicContact NH2-OD1 3.81Å; R292-D298 PolarHBondContact NH2-OD1 3.09Å; R292-D298 IonicContact NH2-OD2 2.82Å; R292-D298 PolarHBondContact NH2-OD2 2.7Å; R292-L301 HydrophobicContact CB-CD1 3.92Å; R292-G304 CarbonylContact O-C 3.6Å; R292-G304 WeakPolarHBondContact O-CA 3.21Å; R292-G305 PolarHBondContact N-O 3.33Å; R292-G305 VanDerWaalsContact N-O 3.1Å; R292-G305 PolarHBondContact O-N 3.12Å; R292-L307 HydrophobicContact CB-CD1 4.15Å; R292-L307 HydrophobicContact CG-CD1 3.52Å; R292-L307 HydrophobicContact CG-CG 4.27Å |
| 293 | T | 94.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | trans | -138.6 | 155.6 | -176.5 | 58 | 0 | 0 | 0 | 0 | 111 | S260 S262 L291 A295 D298 G357 | S260-T293 WeakPolarHBondContact CB-OG1 3.42Å; S260-T293 PolarHBondContact OG-N 2.99Å; S260-T293 PolarHBondContact OG-OG1 2.86Å; S262-T293 VanDerWaalsContact CB-O 3.26Å; S262-T293 WeakPolarHBondContact CB-O 3.43Å; S262-T293 PolarHBondContact OG-N 2.94Å; S262-T293 PolarHBondContact OG-O 2.73Å; L291-T293 HydrophobicContact CD1-CG2 4.06Å; L291-T293 HydrophobicContact CG-CG2 4.18Å; T293-A295 PolarHBondContact O-N 2.72Å; T293-D298 WeakPolarHBondContact O-CB 3.47Å; T293-G357 VanDerWaalsContact CG2-O 3.28Å; T293-G357 WeakPolarHBondContact CG2-O 3.3Å | ||
| 294 | P | 95.1 | Very high | 93.1 | Very high | 66 Ų | 66 | 26.4 Ų | 26.4 | 43% | 0.429 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -74.6 | 63.7 | -175.4 | 31.5 | -37 | 0 | 0 | 0 | 112.4 | D298 L301 | P294-D298 WeakPolarHBondContact CA-O 3.47Å; P294-L301 HydrophobicContact CB-CB 4.29Å; P294-L301 WeakPolarHBondContact CB-O 3.49Å |
| 295 | A | 95.5 | Very high | 93.6 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 19% | 0.19 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -128.4 | 144.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L263 T293 Y297 D298 | L263-A295 HydrophobicContact CD2-CB 3.79Å; T293-A295 PolarHBondContact O-N 2.72Å; A295-Y297 PolarHBondContact O-N 3.33Å; A295-D298 WeakPolarHBondContact O-CA 3.21Å; A295-D298 WeakPolarHBondContact O-CB 3.47Å; A295-D298 PolarHBondContact O-N 2.89Å |
| 296 | R | 95.4 | Very high | 93.9 | Very high | 88 Ų | 88 | 24.4 Ų | 24.4 | 33% | 0.332 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | 50.9 | -119.3 | 177.5 | -53.5 | -175.6 | 74 | -169.6 | 13 | 112.2 | D74 D298 K299 | D74-R296 IonicContact OD1-NH2 2.64Å; D74-R296 PolarHBondContact OD1-NH2 3.45Å; D74-R296 IonicContact OD2-CZ 3.25Å; D74-R296 IonicContact OD2-NH2 3.47Å; D74-R296 PolarHBondContact OD2-NH2 2.97Å; R296-D298 PolarHBondContact O-N 3.44Å; R296-K299 VanDerWaalsContact O-CG 3.32Å; R296-K299 WeakPolarHBondContact O-CG 3.18Å; R296-K299 PolarHBondContact O-N 2.91Å |
| 297 | Y | 96.1 | Very high | 94 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -67.9 | -13.5 | 180 | -65.5 | -76.1 | 0 | 0 | 0 | 113.8 | Q70 Y71 D74 V75 Y216 G224 P225 A295 | Q70-Y297 WeakPolarHBondContact CG-OH 3.48Å; Q70-Y297 PolarHBondContact O-OH 2.83Å; Y71-Y297 WeakPolarHBondContact CA-OH 3.41Å; Y71-Y297 AromaticContact CD2-CD1 3.35Å; Y71-Y297 HydrophobicContact CD2-CD1 3.35Å; Y71-Y297 AromaticContact CD2-CE1 3.5Å; Y71-Y297 HydrophobicContact CD2-CE1 3.5Å; Y71-Y297 VanDerWaalsContact CD2-CE1 3.5Å; Y71-Y297 HydrophobicContact CD2-CG 4.06Å; Y71-Y297 AromaticContact CE2-CD1 3.76Å; Y71-Y297 HydrophobicContact CE2-CD1 3.76Å; Y71-Y297 HydrophobicContact CE2-CE1 4.36Å; Y71-Y297 HydrophobicContact CE2-CG 4.14Å; Y71-Y297 HydrophobicContact CG-CD1 4.38Å; Y71-Y297 HydrophobicContact CG-CE1 4.17Å; Y71-Y297 PolarHBondContact N-OH 3.12Å; D74-Y297 HydrophobicContact CB-CD2 4.27Å; D74-Y297 HydrophobicContact CB-CE2 3.4Å; D74-Y297 PolarHBondContact OD2-OH 2.97Å; V75-Y297 HydrophobicContact CG2-CD2 4.03Å; V75-Y297 HydrophobicContact CG2-CG 4.24Å; Y216-Y297 WeakPolarHBondContact CE1-O 3.45Å; G224-Y297 WeakPolarHBondContact CA-O 3.36Å; P225-Y297 WeakPolarHBondContact CA-O 3.05Å; A295-Y297 PolarHBondContact O-N 3.33Å |
| 298 | D | 96.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -101.6 | 8 | 178 | -70.5 | -18.6 | 0 | 0 | 0 | 113 | P225 G226 S262 R292 T293 P294 A295 R296 G300 L301 | P225-D298 WeakPolarHBondContact CB-OD1 3.34Å; G226-D298 PolarHBondContact N-OD1 2.77Å; S262-D298 VanDerWaalsContact CB-OD2 3.27Å; S262-D298 WeakPolarHBondContact CB-OD2 3.24Å; S262-D298 PolarHBondContact OG-OD2 2.85Å; R292-D298 IonicContact CZ-OD1 3.7Å; R292-D298 IonicContact CZ-OD2 3.1Å; R292-D298 VanDerWaalsContact CZ-OD2 3.27Å; R292-D298 IonicContact NE-OD1 2.94Å; R292-D298 IonicContact NE-OD2 3.94Å; R292-D298 PolarHBondContact NE-OD2 2.95Å; R292-D298 IonicContact NH2-OD1 3.81Å; R292-D298 PolarHBondContact NH2-OD1 3.09Å; R292-D298 IonicContact NH2-OD2 2.82Å; R292-D298 PolarHBondContact NH2-OD2 2.7Å; T293-D298 WeakPolarHBondContact O-CB 3.47Å; P294-D298 WeakPolarHBondContact CA-O 3.47Å; A295-D298 WeakPolarHBondContact O-CA 3.21Å; A295-D298 WeakPolarHBondContact O-CB 3.47Å; A295-D298 PolarHBondContact O-N 2.89Å; R296-D298 PolarHBondContact O-N 3.44Å; D298-G300 PolarHBondContact O-N 3.43Å; D298-L301 HydrophobicContact CB-CD1 3.6Å; D298-L301 HydrophobicContact CB-CG 3.97Å; D298-L301 WeakPolarHBondContact O-CB 3.33Å; D298-L301 WeakPolarHBondContact O-CG 3.42Å; D298-L301 PolarHBondContact O-N 2.94Å |
| 299 | K | 95.6 | Very high | 94 | Very high | 95 Ų | 95 | 23.9 Ų | 23.9 | 41% | 0.413 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -11.7 | 179.1 | 72.9 | -172.6 | 179.6 | -149.9 | 0 | 114.7 | D65 Y216 R296 L301 | D65-K299 IonicContact OD2-NZ 3.24Å; D65-K299 PolarHBondContact OD2-NZ 2.96Å; Y216-K299 HydrophobicContact CD1-CD 4.24Å; Y216-K299 HydrophobicContact CD1-CG 3.44Å; Y216-K299 VanDerWaalsContact CD1-CG 3.44Å; Y216-K299 HydrophobicContact CD2-CD 4.23Å; Y216-K299 HydrophobicContact CD2-CG 4.24Å; Y216-K299 HydrophobicContact CE1-CD 4.19Å; Y216-K299 HydrophobicContact CE1-CG 3.66Å; Y216-K299 HydrophobicContact CE2-CD 4.2Å; Y216-K299 HydrophobicContact CE2-CG 4.43Å; Y216-K299 HydrophobicContact CG-CD 4.2Å; Y216-K299 HydrophobicContact CG-CG 3.71Å; R296-K299 VanDerWaalsContact O-CG 3.32Å; R296-K299 WeakPolarHBondContact O-CG 3.18Å; R296-K299 PolarHBondContact O-N 2.91Å; K299-L301 VanDerWaalsContact C-N 3.3Å |
| 300 | G | 94.8 | Very high | 93.9 | Very high | 23 Ų | 23 | 25.8 Ų | 25.8 | 24% | 0.237 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13 | 169 | 0 | 0 | 0 | 0 | 0 | 114 | D298 | D298-G300 PolarHBondContact O-N 3.43Š|
| 301 | L | 93 | Very high | 93.6 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -65.2 | 136.3 | 174.1 | -65.4 | 179.1 | 0 | 0 | 0 | 109.9 | F205 Y214 R292 P294 D298 K299 V303 | F205-L301 HydrophobicContact CD1-CD1 4.28Å; F205-L301 HydrophobicContact CD1-CD2 3.38Å; F205-L301 HydrophobicContact CD1-CG 4.49Å; F205-L301 HydrophobicContact CE1-CD2 3.78Å; F205-L301 HydrophobicContact CG-CD2 4.27Å; Y214-L301 HydrophobicContact CD2-CD2 3.42Å; Y214-L301 VanDerWaalsContact CD2-CD2 3.42Å; Y214-L301 HydrophobicContact CE2-CD2 4.22Å; Y214-L301 HydrophobicContact CG-CD2 3.91Å; R292-L301 HydrophobicContact CB-CD1 3.92Å; P294-L301 HydrophobicContact CB-CB 4.29Å; P294-L301 WeakPolarHBondContact CB-O 3.49Å; D298-L301 HydrophobicContact CB-CD1 3.6Å; D298-L301 HydrophobicContact CB-CG 3.97Å; D298-L301 WeakPolarHBondContact O-CB 3.33Å; D298-L301 WeakPolarHBondContact O-CG 3.42Å; D298-L301 PolarHBondContact O-N 2.94Å; K299-L301 VanDerWaalsContact C-N 3.3Å; L301-V303 PolarHBondContact O-N 3.43Å |
| 302 | P | 90.3 | Very high | 93.2 | Very high | 80 Ų | 80 | 28.2 Ų | 28.2 | 52% | 0.519 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -70.5 | -31.8 | -179.4 | 23.4 | -30.1 | 0 | 0 | 0 | 113 | Y214 M329 | Y214-P302 HydrophobicContact CE1-CG 4.12Å; P302-M329 HydrophobicContact CG-CE 3.6Å |
| 303 | V | 87.5 | Confident | 92.5 | Very high | 73 Ų | 73 | 30.6 Ų | 30.6 | 44% | 0.442 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -154.1 | 164.6 | 176.1 | -67.6 | 0 | 0 | 0 | 0 | 109.6 | L301 M329 | L301-V303 PolarHBondContact O-N 3.43Å; V303-M329 HydrophobicContact CG2-CB 3.55Å; V303-M329 HydrophobicContact CG2-CE 4Å; V303-M329 HydrophobicContact CG2-CG 3.4Å; V303-M329 HydrophobicContact CG2-SD 3.76Å; V303-M329 WeakPolarHBondContact O-CE 3.04Å |
| 304 | G | 87.4 | Confident | 91.6 | Very high | 16 Ų | 16 | 34 Ų | 34 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | trans | -80.2 | 154.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R292 L355 | R292-G304 CarbonylContact O-C 3.6Å; R292-G304 WeakPolarHBondContact O-CA 3.21Å; G304-L355 WeakPolarHBondContact O-CD2 2.93Å | ||
| 305 | G | 89.7 | Confident | 90.6 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 159.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | R292 | R292-G305 PolarHBondContact N-O 3.33Å; R292-G305 VanDerWaalsContact N-O 3.1Å; R292-G305 PolarHBondContact O-N 3.12Å |
| 306 | L | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134.5 | 168.7 | -74 | -178.1 | 0 | 0 | 0 | 109.7 | L258 V289 E290 L291 P330 W336 T352 A360 V362 | L258-L306 HydrophobicContact CD1-CD2 3.53Å; V289-L306 HydrophobicContact CG1-CD2 4.37Å; E290-L306 CarbonylContact O-C 3.53Å; E290-L306 VanDerWaalsContact O-CA 3.27Å; E290-L306 WeakPolarHBondContact O-CA 3.3Å; E290-L306 VanDerWaalsContact O-CD2 3.3Å; E290-L306 WeakPolarHBondContact O-CD2 3.48Å; L291-L306 HydrophobicContact CB-CD2 3.98Å; L291-L306 HydrophobicContact CD1-CD2 4.36Å; L306-P330 WeakPolarHBondContact O-CG 3.46Å; L306-W336 HydrophobicContact CB-CH2 4.17Å; L306-T352 HydrophobicContact CD1-CG2 3.81Å; L306-T352 WeakPolarHBondContact CD1-OG1 3.43Å; L306-T352 HydrophobicContact CG-CG2 4.41Å; L306-A360 HydrophobicContact CD1-CB 4.38Å; L306-A360 HydrophobicContact CD2-CB 3.79Å; L306-A360 HydrophobicContact CG-CB 4.12Å; L306-V362 HydrophobicContact CD1-CB 4.01Å; L306-V362 HydrophobicContact CD1-CG2 4.19Å |
| 307 | L | 94.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 142.1 | 173 | -50.7 | 179.2 | 0 | 0 | 0 | 108.9 | F205 V289 E290 R292 L322 | F205-L307 HydrophobicContact CB-CD1 3.43Å; F205-L307 VanDerWaalsContact CB-CD1 3.43Å; F205-L307 HydrophobicContact CD1-CD1 3.6Å; F205-L307 HydrophobicContact CD1-CD2 3.87Å; F205-L307 HydrophobicContact CD1-CG 4.33Å; F205-L307 HydrophobicContact CD2-CD1 3.97Å; F205-L307 HydrophobicContact CD2-CD2 3.89Å; F205-L307 HydrophobicContact CE1-CD1 4.29Å; F205-L307 HydrophobicContact CE1-CD2 3.7Å; F205-L307 HydrophobicContact CE2-CD2 3.77Å; F205-L307 HydrophobicContact CG-CD1 3.4Å; F205-L307 VanDerWaalsContact CG-CD1 3.4Å; F205-L307 HydrophobicContact CG-CD2 3.96Å; F205-L307 HydrophobicContact CG-CG 4.35Å; F205-L307 HydrophobicContact CZ-CD2 3.67Å; V289-L307 WeakPolarHBondContact CA-O 3.36Å; E290-L307 HydrophobicContact CG-CB 3.79Å; E290-L307 HydrophobicContact CG-CD1 4.44Å; E290-L307 HydrophobicContact CG-CG 4.41Å; E290-L307 PolarHBondContact N-O 2.95Å; E290-L307 PolarHBondContact O-N 3.41Å; E290-L307 WeakPolarHBondContact OE1-CD1 3.38Å; R292-L307 HydrophobicContact CB-CD1 4.15Å; R292-L307 HydrophobicContact CG-CD1 3.52Å; R292-L307 HydrophobicContact CG-CG 4.27Å; L307-L322 HydrophobicContact CB-CD1 4.16Å; L307-L322 HydrophobicContact CD2-CD1 4.39Å |
| 308 | V | 95 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117.8 | 175.2 | -176.9 | 0 | 0 | 0 | 0 | 108 | F287 T288 V289 L323 W336 L338 I350 | F287-V308 HydrophobicContact CB-CG1 4.37Å; T288-V308 VanDerWaalsContact O-CA 3.25Å; T288-V308 WeakPolarHBondContact O-CA 3.2Å; V289-V308 HydrophobicContact CG1-CG2 4.45Å; V289-V308 HydrophobicContact CG2-CG2 4.29Å; V308-L323 HydrophobicContact CG1-CD1 3.95Å; V308-L323 WeakPolarHBondContact O-CB 3.44Å; V308-L323 PolarHBondContact O-N 3.21Å; V308-W336 HydrophobicContact CB-CD2 4.28Å; V308-W336 HydrophobicContact CB-CG 4.34Å; V308-W336 HydrophobicContact CB-CZ2 4.34Å; V308-W336 HydrophobicContact CG2-CD2 3.6Å; V308-W336 HydrophobicContact CG2-CE3 3.88Å; V308-W336 HydrophobicContact CG2-CG 4.06Å; V308-W336 HydrophobicContact CG2-CH2 3.96Å; V308-W336 HydrophobicContact CG2-CZ2 3.7Å; V308-W336 HydrophobicContact CG2-CZ3 4.07Å; V308-L338 HydrophobicContact CG1-CD1 4.38Å; V308-I350 HydrophobicContact CG1-CD1 3.71Å; V308-I350 HydrophobicContact CG2-CD1 4.13Å; V308-I350 HydrophobicContact CG2-CG2 4.33Å |
| 309 | H | 94.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 147.9 | 173.9 | -55.7 | 77.1 | 0 | 0 | 0 | 110.7 | D203 P230 F287 T288 E290 S320 V321 | D203-H309 IonicContact OD1-NE2 2.77Å; D203-H309 IonicContact OD2-CD2 3.02Å; D203-H309 PolarHBondContact OD2-CD2 3.04Å; D203-H309 IonicContact OD2-CE1 3.27Å; D203-H309 IonicContact OD2-NE2 2.67Å; D203-H309 PolarHBondContact OD2-NE2 2.82Å; P230-H309 HydrophobicContact CG-CB 4.15Å; F287-H309 CarbonylContact C-O 3.51Å; F287-H309 WeakPolarHBondContact CA-O 3.35Å; T288-H309 PolarHBondContact N-O 2.87Å; T288-H309 PolarHBondContact O-N 3.32Å; T288-H309 VanDerWaalsContact O-N 3.09Å; T288-H309 WeakPolarHBondContact OG1-CB 3.29Å; E290-H309 IonicContact OE1-CE1 3.07Å; E290-H309 PolarHBondContact OE1-CE1 3.12Å; H309-S320 WeakPolarHBondContact CB-OG 3.32Å; H309-S320 PolarHBondContact CD2-OG 2.79Å; H309-V321 CarbonylContact C-O 3.37Å; H309-V321 WeakPolarHBondContact CA-O 3.33Å |
| 310 | Q | 93.9 | Very high | 87.5 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.7 | 168.2 | -174.5 | -179.5 | -32.1 | 0 | 0 | 109.4 | Y278 F287 E312 V321 L323 | Y278-Q310 HydrophobicContact CE1-CG 3.69Å; Y278-Q310 WeakPolarHBondContact OH-CG 2.91Å; Y278-Q310 PolarHBondContact OH-NE2 2.94Å; F287-Q310 HydrophobicContact CD1-CB 3.74Å; F287-Q310 HydrophobicContact CD1-CG 3.87Å; F287-Q310 HydrophobicContact CE1-CB 3.66Å; F287-Q310 HydrophobicContact CE1-CG 3.46Å; F287-Q310 VanDerWaalsContact CE1-CG 3.46Å; F287-Q310 HydrophobicContact CZ-CG 4.33Å; Q310-E312 HydrophobicContact CB-CG 4.43Å; Q310-E312 HydrophobicContact CG-CG 3.85Å; Q310-E312 PolarHBondContact NE2-OE1 3.34Å; Q310-E312 PolarHBondContact O-N 2.78Å; Q310-V321 HydrophobicContact CB-CB 4.48Å; Q310-V321 PolarHBondContact N-O 3.22Å; Q310-V321 WeakPolarHBondContact O-CB 3.08Å; Q310-V321 PolarHBondContact O-N 3.17Å; Q310-L323 HydrophobicContact CB-CD1 4.29Å; Q310-L323 HydrophobicContact CB-CD2 3.89Å; Q310-L323 HydrophobicContact CB-CG 4.22Å |
| 311 | I | 91.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 100.3 | 174 | -57 | -51.9 | 0 | 0 | 0 | 109.7 | P230 Y278 Q284 V286 T288 Y318 L462 F548 | P230-I311 HydrophobicContact CB-CD1 3.62Å; P230-I311 HydrophobicContact CG-CD1 3.7Å; Y278-I311 PolarHBondContact OH-O 2.97Å; Q284-I311 WeakPolarHBondContact O-CB 3.42Å; Q284-I311 WeakPolarHBondContact O-CG2 3.46Å; V286-I311 HydrophobicContact CG2-CB 4.34Å; V286-I311 HydrophobicContact CG2-CG1 3.72Å; V286-I311 WeakPolarHBondContact O-CG1 2.94Å; V286-I311 PolarHBondContact O-N 3.02Å; T288-I311 HydrophobicContact CG2-CD1 4.26Å; T288-I311 HydrophobicContact CG2-CG1 4.14Å; I311-Y318 HydrophobicContact CG2-CD1 3.9Å; I311-L462 HydrophobicContact CG2-CD2 4.43Å; I311-F548 HydrophobicContact CG2-CE2 4.12Å; I311-F548 HydrophobicContact CG2-CZ 3.6Å |
| 312 | E | 86.9 | Confident | 87.5 | Confident | 52 Ų | 52 | 39.1 Ų | 39.1 | 24% | 0.243 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 143.7 | -178.2 | -63.9 | -165.9 | 154 | 0 | 0 | 112.5 | Q310 R314 Y318 Y319 V321 | Q310-E312 HydrophobicContact CB-CG 4.43Å; Q310-E312 HydrophobicContact CG-CG 3.85Å; Q310-E312 PolarHBondContact NE2-OE1 3.34Å; Q310-E312 PolarHBondContact O-N 2.78Å; E312-R314 IonicContact OE2-CZ 2.95Å; E312-R314 IonicContact OE2-NE 3.31Å; E312-R314 IonicContact OE2-NH2 2.71Å; E312-R314 PolarHBondContact OE2-NH2 2.72Å; E312-Y318 CarbonylContact O-C 3.56Å; E312-Y318 WeakPolarHBondContact O-CA 3.24Å; E312-Y319 PolarHBondContact N-O 2.96Å; E312-Y319 PolarHBondContact O-N 3.17Å; E312-V321 HydrophobicContact CB-CG2 4.13Å; E312-V321 HydrophobicContact CG-CG2 3.87Å |
| 313 | S | 81.2 | Confident | 87.6 | Confident | 52 Ų | 52 | 36 Ų | 36 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.1 | 171.4 | 62 | 0 | 0 | 0 | 0 | 111.1 | K285 F317 | K285-S313 VanDerWaalsContact CE-OG 3.26Å; K285-S313 WeakPolarHBondContact CE-OG 3.31Å; K285-S313 PolarHBondContact NZ-OG 2.96Å; K285-S313 VanDerWaalsContact NZ-OG 3.17Å; S313-F317 CarbonylContact C-O 3.56Å; S313-F317 WeakPolarHBondContact CA-O 3.49Å |
| 314 | R | 76.9 | Confident | 87.5 | Confident | 80 Ų | 80 | 35.3 Ų | 35.3 | 30% | 0.302 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.5 | 172.2 | -57.9 | -179.1 | 178.2 | -166.9 | -0.1 | 109.7 | E312 N316 F317 Y319 | E312-R314 IonicContact OE2-CZ 2.95Å; E312-R314 IonicContact OE2-NE 3.31Å; E312-R314 IonicContact OE2-NH2 2.71Å; E312-R314 PolarHBondContact OE2-NH2 2.72Å; R314-N316 VanDerWaalsContact C-N 3.28Å; R314-N316 PolarHBondContact O-N 3.45Å; R314-F317 PolarHBondContact N-O 3.43Å; R314-F317 WeakPolarHBondContact O-CA 3.38Å; R314-F317 PolarHBondContact O-N 3.02Å; R314-F317 VanDerWaalsContact O-O 3.11Å; R314-Y319 HydrophobicContact CB-CD2 3.85Å; R314-Y319 HydrophobicContact CB-CE2 3.83Å; R314-Y319 HydrophobicContact CG-CD2 4.1Å |
| 315 | N | 72.4 | Confident | 86.8 | Confident | 145 Ų | 145 | 35.7 Ų | 35.7 | 78% | 0.775 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 42 | 178.8 | -59.6 | -20.7 | 0 | 0 | 0 | 114.4 | F317 | N315-F317 HydrophobicContact CB-CD2 4.44Å; N315-F317 WeakPolarHBondContact O-CD2 3.47Å; N315-F317 WeakPolarHBondContact O-CE2 3.31Å; N315-F317 PolarHBondContact O-N 3Å |
| 316 | N | 71.8 | Confident | 85.5 | Confident | 157 Ų | 157 | 41 Ų | 41 | 84% | 0.84 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 1.9 | -175.1 | -52 | -43.1 | 0 | 0 | 0 | 116.3 | R314 | R314-N316 VanDerWaalsContact C-N 3.28Å; R314-N316 PolarHBondContact O-N 3.45Å |
| 317 | F | 78.6 | Confident | 83.9 | Confident | 39 Ų | 39 | 46.5 Ų | 46.5 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 166.3 | 170.1 | -54.2 | -70.2 | 0 | 0 | 0 | 110 | S313 R314 N315 Y319 K547 N550 | S313-F317 CarbonylContact C-O 3.56Å; S313-F317 WeakPolarHBondContact CA-O 3.49Å; R314-F317 PolarHBondContact N-O 3.43Å; R314-F317 WeakPolarHBondContact O-CA 3.38Å; R314-F317 PolarHBondContact O-N 3.02Å; R314-F317 VanDerWaalsContact O-O 3.11Å; N315-F317 HydrophobicContact CB-CD2 4.44Å; N315-F317 WeakPolarHBondContact O-CD2 3.47Å; N315-F317 WeakPolarHBondContact O-CE2 3.31Å; N315-F317 PolarHBondContact O-N 3Å; F317-Y319 HydrophobicContact CB-CE2 3.74Å; F317-K547 WeakPolarHBondContact CD1-O 3.16Å; F317-N550 HydrophobicContact CD1-CB 3.74Å; F317-N550 WeakPolarHBondContact CD1-O 3.48Å; F317-N550 HydrophobicContact CE1-CB 3.59Å; F317-N550 VanDerWaalsContact CE1-O 3.3Å; F317-N550 WeakPolarHBondContact CE1-O 3.25Å; F317-N550 WeakPolarHBondContact CG-O 3.04Å |
| 318 | Y | 84.5 | Confident | 82.4 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 150 | 175.3 | -67.1 | -102.8 | 0 | 0 | 0 | 110.6 | D282 Q284 K285 I311 E312 F548 F549 | D282-Y318 VanDerWaalsContact CG-OH 3.24Å; D282-Y318 PolarHBondContact OD1-OH 3.31Å; D282-Y318 VanDerWaalsContact OD2-CE1 3.31Å; D282-Y318 WeakPolarHBondContact OD2-CE1 3.46Å; D282-Y318 PolarHBondContact OD2-OH 3.49Å; Q284-Y318 HydrophobicContact CB-CE1 4.06Å; K285-Y318 HydrophobicContact CG-CE1 4.31Å; I311-Y318 HydrophobicContact CG2-CD1 3.9Å; E312-Y318 CarbonylContact O-C 3.56Å; E312-Y318 WeakPolarHBondContact O-CA 3.24Å; Y318-F548 VanDerWaalsContact CB-CD2 3.49Å; Y318-F548 HydrophobicContact CD1-CD2 4.23Å; Y318-F548 AromaticContact CD1-CE2 3.52Å; Y318-F548 HydrophobicContact CD1-CE2 3.52Å; Y318-F548 HydrophobicContact CD1-CZ 4.2Å; Y318-F548 AromaticContact CD2-CD2 3.13Å; Y318-F548 HydrophobicContact CD2-CD2 3.13Å; Y318-F548 AromaticContact CD2-CE2 3.32Å; Y318-F548 HydrophobicContact CD2-CE2 3.32Å; Y318-F548 HydrophobicContact CD2-CG 4.11Å; Y318-F548 HydrophobicContact CD2-CZ 4.36Å; Y318-F548 HydrophobicContact CE1-CE2 4.16Å; Y318-F548 AromaticContact CE2-CD2 3.8Å; Y318-F548 HydrophobicContact CE2-CD2 3.8Å; Y318-F548 HydrophobicContact CE2-CE2 4.01Å; Y318-F548 AromaticContact CG-CD2 3.38Å; Y318-F548 HydrophobicContact CG-CD2 3.38Å; Y318-F548 AromaticContact CG-CE2 3.02Å; Y318-F548 HydrophobicContact CG-CE2 3.02Å; Y318-F548 HydrophobicContact CG-CG 4.36Å; Y318-F548 AromaticContact CG-CZ 3.74Å; Y318-F548 HydrophobicContact CG-CZ 3.74Å; Y318-F548 PolarHBondContact N-O 3.15Å; Y318-F549 WeakPolarHBondContact O-CD1 3.44Å |
| 319 | Y | 88.1 | Confident | 81.1 | Confident | 32 Ų | 32 | 55.6 Ų | 55.6 | 13% | 0.125 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 146.8 | -176.4 | -65.1 | -87.3 | 0 | 0 | 0 | 110 | F185 E312 R314 F317 | F185-Y319 AromaticContact CD2-CD1 3.88Å; F185-Y319 HydrophobicContact CD2-CD1 3.88Å; F185-Y319 HydrophobicContact CD2-CG 4.19Å; F185-Y319 AromaticContact CE2-CD1 3.36Å; F185-Y319 HydrophobicContact CE2-CD1 3.36Å; F185-Y319 AromaticContact CE2-CE1 3.87Å; F185-Y319 HydrophobicContact CE2-CE1 3.87Å; F185-Y319 AromaticContact CE2-CG 3.94Å; F185-Y319 HydrophobicContact CE2-CG 3.94Å; F185-Y319 HydrophobicContact CZ-CD1 4.29Å; F185-Y319 HydrophobicContact CZ-CE1 4.5Å; E312-Y319 PolarHBondContact N-O 2.96Å; E312-Y319 PolarHBondContact O-N 3.17Å; R314-Y319 HydrophobicContact CB-CD2 3.85Å; R314-Y319 HydrophobicContact CB-CE2 3.83Å; R314-Y319 HydrophobicContact CG-CD2 4.1Å; F317-Y319 HydrophobicContact CB-CE2 3.74Å |
| 320 | S | 92.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 120.9 | 171 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | F185 N228 H309 | F185-S320 PolarHBondContact N-O 2.92Å; N228-S320 PolarHBondContact ND2-OG 3.38Å; N228-S320 VanDerWaalsContact ND2-OG 3.1Å; H309-S320 WeakPolarHBondContact CB-OG 3.32Å; H309-S320 PolarHBondContact CD2-OG 2.79Å |
| 321 | V | 93.5 | Very high | 78.7 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 107.6 | -179.9 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | F185 D187 H309 Q310 E312 L323 | F185-V321 HydrophobicContact CB-CB 4.45Å; F185-V321 HydrophobicContact CB-CG1 4.44Å; F185-V321 HydrophobicContact CB-CG2 4.01Å; F185-V321 CarbonylContact O-C 3.55Å; F185-V321 WeakPolarHBondContact O-CA 3.44Å; D187-V321 HydrophobicContact CB-CG1 4.22Å; H309-V321 CarbonylContact C-O 3.37Å; H309-V321 WeakPolarHBondContact CA-O 3.33Å; Q310-V321 HydrophobicContact CB-CB 4.48Å; Q310-V321 PolarHBondContact N-O 3.22Å; Q310-V321 WeakPolarHBondContact O-CB 3.08Å; Q310-V321 PolarHBondContact O-N 3.17Å; E312-V321 HydrophobicContact CB-CG2 4.13Å; E312-V321 HydrophobicContact CG-CG2 3.87Å; V321-L323 PolarHBondContact O-N 2.87Å |
| 322 | L | 94.4 | Very high | 78.2 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 126.4 | 173.5 | -179.6 | 66.5 | 0 | 0 | 0 | 110.2 | F185 S186 D187 D203 F205 L307 | F185-L322 PolarHBondContact O-N 3.24Å; S186-L322 CarbonylContact C-O 3.58Å; S186-L322 VanDerWaalsContact CA-O 3.31Å; S186-L322 WeakPolarHBondContact CA-O 3.49Å; D187-L322 PolarHBondContact N-O 3.27Å; D203-L322 HydrophobicContact CB-CB 4.18Å; F205-L322 HydrophobicContact CD2-CD2 3.93Å; F205-L322 HydrophobicContact CE2-CD2 4.1Å; L307-L322 HydrophobicContact CB-CD1 4.16Å; L307-L322 HydrophobicContact CD2-CD1 4.39Å |
| 323 | L | 92.9 | Very high | 77.9 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 125.4 | 178.3 | -59.6 | -173.8 | 0 | 0 | 0 | 111.1 | D187 F287 V308 Q310 V321 A325 W336 L338 | D187-L323 HydrophobicContact CB-CD2 4.11Å; F287-L323 HydrophobicContact CD1-CD1 3.75Å; F287-L323 HydrophobicContact CE1-CD1 3.71Å; V308-L323 HydrophobicContact CG1-CD1 3.95Å; V308-L323 WeakPolarHBondContact O-CB 3.44Å; V308-L323 PolarHBondContact O-N 3.21Å; Q310-L323 HydrophobicContact CB-CD1 4.29Å; Q310-L323 HydrophobicContact CB-CD2 3.89Å; Q310-L323 HydrophobicContact CB-CG 4.22Å; V321-L323 PolarHBondContact O-N 2.87Å; L323-A325 PolarHBondContact O-N 2.86Å; L323-W336 PolarHBondContact O-NE1 2.79Å; L323-L338 HydrophobicContact CD1-CD1 3.93Å; L323-L338 HydrophobicContact CD1-CD2 3.57Å; L323-L338 HydrophobicContact CD1-CG 4.41Å |
| 324 | S | 84.4 | Confident | 78.2 | Confident | 60 Ų | 60 | 64 Ų | 64 | 42% | 0.42 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -63 | 123.7 | 178.6 | -67.4 | 0 | 0 | 0 | 0 | 110.7 | D187 R188 | D187-S324 VanDerWaalsContact CG-N 3.31Å; D187-S324 VanDerWaalsContact OD1-CB 3.26Å; D187-S324 WeakPolarHBondContact OD1-CB 3.42Å; D187-S324 PolarHBondContact OD1-N 3.47Å; D187-S324 PolarHBondContact OD1-OG 3.34Å; D187-S324 PolarHBondContact OD2-N 2.91Å; R188-S324 WeakPolarHBondContact CG-OG 3.29Å |
| 325 | A | 71.9 | Confident | 78.8 | Confident | 23 Ų | 23 | 65 Ų | 65 | 19% | 0.19 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 162.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L323 K327 P330 T334 W336 | L323-A325 PolarHBondContact O-N 2.86Å; A325-K327 WeakPolarHBondContact CB-O 3.48Å; A325-K327 PolarHBondContact O-N 3.14Å; A325-P330 HydrophobicContact CB-CG 3.74Å; A325-T334 HydrophobicContact CB-CG2 3.77Å; A325-W336 HydrophobicContact CB-CZ2 3.91Å |
| 326 | A | 62.5 | Low | 79.6 | Confident | 113 Ų | 113 | 58.5 Ų | 58.5 | 93% | 0.934 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -55 | -26 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 327 | K | 61 | Low | 80.3 | Confident | 115 Ų | 115 | 60.5 Ų | 60.5 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -116.3 | 142.7 | 169.5 | -65.7 | 178.8 | -178.7 | 173.8 | 0 | 109.1 | A325 M329 N331 | A325-K327 WeakPolarHBondContact CB-O 3.48Å; A325-K327 PolarHBondContact O-N 3.14Å; K327-M329 PolarHBondContact O-N 3.2Å; K327-N331 PolarHBondContact NZ-ND2 3.37Å; K327-N331 VanDerWaalsContact NZ-ND2 3.17Å; K327-N331 PolarHBondContact NZ-OD1 2.78Å |
| 328 | R | 62.9 | Low | 80.7 | Confident | 169 Ų | 169 | 60 Ų | 60 | 64% | 0.638 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -55.8 | -26.2 | 175.2 | -158.5 | 176.9 | -173.2 | 169.5 | 0.1 | 112.7 | ||
| 329 | M | 66.3 | Low | 80.1 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -125.8 | 108.8 | 173.5 | -75.8 | -77.4 | -160.1 | 0 | 0 | 109.9 | F205 Y214 P302 V303 K327 N331 | F205-M329 HydrophobicContact CD1-CE 4.46Å; F205-M329 HydrophobicContact CE1-CE 3.28Å; F205-M329 HydrophobicContact CE1-SD 3.49Å; F205-M329 WeakPolarHBondContact CE1-SD 3.07Å; F205-M329 HydrophobicContact CZ-CE 3.51Å; F205-M329 HydrophobicContact CZ-SD 3.45Å; F205-M329 WeakPolarHBondContact CZ-SD 3.21Å; Y214-M329 HydrophobicContact CE2-CE 4.35Å; P302-M329 HydrophobicContact CG-CE 3.6Å; V303-M329 HydrophobicContact CG2-CB 3.55Å; V303-M329 HydrophobicContact CG2-CE 4Å; V303-M329 HydrophobicContact CG2-CG 3.4Å; V303-M329 HydrophobicContact CG2-SD 3.76Å; V303-M329 WeakPolarHBondContact O-CE 3.04Å; K327-M329 PolarHBondContact O-N 3.2Å; M329-N331 PolarHBondContact O-N 2.99Å |
| 330 | P | 65 | Low | 79.1 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | trans | -63.4 | 123.9 | 178.9 | -29.4 | 40.9 | 0 | 0 | 0 | 112.3 | L306 A325 T334 W336 | L306-P330 WeakPolarHBondContact O-CG 3.46Å; A325-P330 HydrophobicContact CB-CG 3.74Å; P330-T334 WeakPolarHBondContact CA-OG1 3.21Å; P330-T334 HydrophobicContact CB-CG2 3.69Å; P330-T334 HydrophobicContact CG-CG2 4.23Å; P330-W336 HydrophobicContact CB-CH2 3.33Å; P330-W336 HydrophobicContact CB-CZ2 3.78Å; P330-W336 HydrophobicContact CB-CZ3 4.31Å; P330-W336 HydrophobicContact CG-CH2 3.45Å; P330-W336 VanDerWaalsContact CG-CH2 3.45Å; P330-W336 HydrophobicContact CG-CZ2 3.32Å | ||
| 331 | N | 74.4 | Confident | 77.5 | Confident | 66 Ų | 66 | 67 Ų | 67 | 35% | 0.353 | 35% | 0.351 | S | S | . | . | trans | -109.7 | -177.2 | 173.5 | 70.9 | -22.1 | 0 | 0 | 0 | 111.1 | K327 M329 G333 T334 T352 | K327-N331 PolarHBondContact NZ-ND2 3.37Å; K327-N331 VanDerWaalsContact NZ-ND2 3.17Å; K327-N331 PolarHBondContact NZ-OD1 2.78Å; M329-N331 PolarHBondContact O-N 2.99Å; N331-G333 PolarHBondContact O-N 3.4Å; N331-T334 PolarHBondContact N-OG1 2.05Å; N331-T334 VanDerWaalsContact O-CB 3.25Å; N331-T334 WeakPolarHBondContact O-CB 3.28Å; N331-T334 PolarHBondContact O-N 3.27Å; N331-T334 PolarHBondContact O-OG1 3.38Å; N331-T334 PolarHBondContact OD1-OG1 3.43Å; N331-T352 WeakPolarHBondContact O-CB 3.39Å | ||
| 332 | R | 80.7 | Confident | 76 | Confident | 188 Ų | 188 | 69.3 Ų | 69.3 | 71% | 0.709 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 130.4 | 171.9 | -174.9 | 173.5 | -170.6 | -162.1 | -2.7 | 110.9 | T334 L353 | R332-T334 VanDerWaalsContact C-N 3.34Å; R332-L353 WeakPolarHBondContact CD-O 3.4Å; R332-L353 WeakPolarHBondContact CG-O 3.39Å; R332-L353 PolarHBondContact NE-O 3.45Å |
| 333 | G | 81.1 | Confident | 74.8 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -2.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N331 T352 | N331-G333 PolarHBondContact O-N 3.4Å; G333-T352 PolarHBondContact N-O 3.11Å |
| 334 | T | 86.9 | Confident | 73.5 | Confident | 12 Ų | 12 | 76.4 Ų | 76.4 | 7% | 0.074 | 39% | 0.394 | C | S | . | . | trans | -67.2 | 135.9 | 172 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | A325 P330 N331 R332 W336 T352 | A325-T334 HydrophobicContact CB-CG2 3.77Å; P330-T334 WeakPolarHBondContact CA-OG1 3.21Å; P330-T334 HydrophobicContact CB-CG2 3.69Å; P330-T334 HydrophobicContact CG-CG2 4.23Å; N331-T334 PolarHBondContact N-OG1 2.05Å; N331-T334 VanDerWaalsContact O-CB 3.25Å; N331-T334 WeakPolarHBondContact O-CB 3.28Å; N331-T334 PolarHBondContact O-N 3.27Å; N331-T334 PolarHBondContact O-OG1 3.38Å; N331-T334 PolarHBondContact OD1-OG1 3.43Å; R332-T334 VanDerWaalsContact C-N 3.34Å; T334-W336 HydrophobicContact CG2-CE3 4.38Å; T334-W336 HydrophobicContact CG2-CH2 3.99Å; T334-W336 HydrophobicContact CG2-CZ2 4.29Å; T334-W336 HydrophobicContact CG2-CZ3 4.01Å; T334-T352 PolarHBondContact O-N 3.24Å | ||
| 335 | Q | 88.8 | Confident | 73.1 | Confident | 101 Ų | 101 | 80.1 Ų | 80.1 | 47% | 0.472 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.8 | -177.8 | -68.4 | -178.4 | -7.3 | 0 | 0 | 110.8 | L349 I350 E351 | Q335-L349 HydrophobicContact CB-CD1 4.11Å; Q335-L349 HydrophobicContact CG-CD1 4.41Å; Q335-I350 CarbonylContact C-O 3.53Å; Q335-I350 VanDerWaalsContact CA-O 3.25Å; Q335-I350 WeakPolarHBondContact CA-O 3.47Å; Q335-E351 HydrophobicContact CG-CB 4.02Å; Q335-E351 HydrophobicContact CG-CG 3.9Å; Q335-E351 VanDerWaalsContact NE2-CD 3.35Å; Q335-E351 PolarHBondContact NE2-OE1 2.86Å |
| 336 | W | 90.2 | Very high | 73.5 | Confident | 9 Ų | 9 | 79.1 Ų | 79.1 | 3% | 0.034 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.9 | 166 | -64.4 | -103.6 | 0 | 0 | 0 | 107.9 | L306 V308 L323 A325 P330 T334 L338 L349 I350 | L306-W336 HydrophobicContact CB-CH2 4.17Å; V308-W336 HydrophobicContact CB-CD2 4.28Å; V308-W336 HydrophobicContact CB-CG 4.34Å; V308-W336 HydrophobicContact CB-CZ2 4.34Å; V308-W336 HydrophobicContact CG2-CD2 3.6Å; V308-W336 HydrophobicContact CG2-CE3 3.88Å; V308-W336 HydrophobicContact CG2-CG 4.06Å; V308-W336 HydrophobicContact CG2-CH2 3.96Å; V308-W336 HydrophobicContact CG2-CZ2 3.7Å; V308-W336 HydrophobicContact CG2-CZ3 4.07Å; L323-W336 PolarHBondContact O-NE1 2.79Å; A325-W336 HydrophobicContact CB-CZ2 3.91Å; P330-W336 HydrophobicContact CB-CH2 3.33Å; P330-W336 HydrophobicContact CB-CZ2 3.78Å; P330-W336 HydrophobicContact CB-CZ3 4.31Å; P330-W336 HydrophobicContact CG-CH2 3.45Å; P330-W336 VanDerWaalsContact CG-CH2 3.45Å; P330-W336 HydrophobicContact CG-CZ2 3.32Å; T334-W336 HydrophobicContact CG2-CE3 4.38Å; T334-W336 HydrophobicContact CG2-CH2 3.99Å; T334-W336 HydrophobicContact CG2-CZ2 4.29Å; T334-W336 HydrophobicContact CG2-CZ3 4.01Å; W336-L338 HydrophobicContact CB-CD1 4.28Å; W336-L338 HydrophobicContact CB-CD2 4.15Å; W336-L338 HydrophobicContact CB-CG 4.06Å; W336-L349 WeakPolarHBondContact O-CA 3.37Å; W336-I350 HydrophobicContact CB-CB 4.33Å; W336-I350 HydrophobicContact CE3-CB 4.23Å; W336-I350 HydrophobicContact CE3-CG2 4.1Å; W336-I350 HydrophobicContact CZ3-CG2 4.46Å; W336-I350 PolarHBondContact N-O 3.14Å; W336-I350 PolarHBondContact O-N 2.79Å |
| 337 | R | 87.1 | Confident | 74.7 | Confident | 200 Ų | 200 | 77.5 Ų | 77.5 | 76% | 0.755 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 98 | 172.5 | -173.8 | 178.2 | -178.1 | -178.5 | 0.8 | 108.7 | L349 | R337-L349 HydrophobicContact CB-CD1 4.33Å |
| 338 | L | 85.5 | Confident | 76.1 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 14% | 0.141 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115.3 | -174.2 | -52.7 | 173.4 | 0 | 0 | 0 | 107.8 | F287 V308 L323 W336 F347 I348 I350 | F287-L338 HydrophobicContact CB-CD1 4.41Å; F287-L338 HydrophobicContact CD1-CD1 3.63Å; F287-L338 HydrophobicContact CD2-CD1 3.69Å; F287-L338 HydrophobicContact CE1-CD1 3.67Å; F287-L338 HydrophobicContact CE1-CD2 4.48Å; F287-L338 HydrophobicContact CE1-CG 4.44Å; F287-L338 HydrophobicContact CE2-CB 3.93Å; F287-L338 HydrophobicContact CE2-CD1 3.74Å; F287-L338 HydrophobicContact CE2-CG 4.44Å; F287-L338 HydrophobicContact CG-CD1 3.63Å; F287-L338 HydrophobicContact CZ-CB 3.88Å; F287-L338 HydrophobicContact CZ-CD1 3.73Å; F287-L338 HydrophobicContact CZ-CG 4.26Å; V308-L338 HydrophobicContact CG1-CD1 4.38Å; L323-L338 HydrophobicContact CD1-CD1 3.93Å; L323-L338 HydrophobicContact CD1-CD2 3.57Å; L323-L338 HydrophobicContact CD1-CG 4.41Å; W336-L338 HydrophobicContact CB-CD1 4.28Å; W336-L338 HydrophobicContact CB-CD2 4.15Å; W336-L338 HydrophobicContact CB-CG 4.06Å; L338-F347 WeakPolarHBondContact O-CA 3.45Å; L338-I348 HydrophobicContact CB-CB 4.26Å; L338-I348 HydrophobicContact CD1-CG2 4.39Å; L338-I348 PolarHBondContact N-O 3.19Å; L338-I348 PolarHBondContact O-N 3.48Å; L338-I350 HydrophobicContact CD1-CD1 3.88Å |
| 339 | V | 71.9 | Confident | 77.5 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 125.8 | 173.7 | -176.3 | 0 | 0 | 0 | 0 | 106.7 | P341 | V339-P341 WeakPolarHBondContact O-CD 3.47Å |
| 340 | N | 68.2 | Low | 78.8 | Confident | 15 Ų | 15 | 64.9 Ų | 64.9 | 8% | 0.08 | 32% | 0.324 | C | S | . | . | trans | -71.7 | 115.4 | 172.5 | -174.9 | -53.5 | 0 | 0 | 0 | 108.4 | Y278 A342 M343 A346 | Y278-N340 PolarHBondContact O-ND2 2.61Å; N340-A342 PolarHBondContact O-N 3.25Å; N340-A342 VanDerWaalsContact OD1-CA 3.31Å; N340-A342 WeakPolarHBondContact OD1-CA 3.41Å; N340-A342 WeakPolarHBondContact OD1-CB 3.24Å; N340-A342 PolarHBondContact OD1-N 2.72Å; N340-M343 HydrophobicContact CB-CB 4.19Å; N340-M343 HydrophobicContact CB-CE 3.83Å; N340-M343 VanDerWaalsContact CG-CE 3.46Å; N340-M343 WeakPolarHBondContact ND2-CE 3.12Å; N340-M343 PolarHBondContact O-N 3.39Å; N340-M343 VanDerWaalsContact O-O 3.05Å; N340-M343 PolarHBondContact OD1-N 2.85Å; N340-A346 HydrophobicContact CB-CB 4.37Å; N340-A346 PolarHBondContact N-O 2.75Å | ||
| 341 | P | 58.6 | Low | 80.1 | Confident | 108 Ų | 108 | 66.4 Ų | 66.4 | 70% | 0.701 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -64 | -32.2 | -177.1 | -16.9 | 29.7 | 0 | 0 | 0 | 112.2 | V339 Q375 | V339-P341 WeakPolarHBondContact O-CD 3.47Å; P341-Q375 PolarHBondContact O-NE2 3.48Å |
| 342 | A | 61.1 | Low | 81 | Confident | 49 Ų | 49 | 63.4 Ų | 63.4 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -71.4 | -38.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N340 S374 Q375 | N340-A342 PolarHBondContact O-N 3.25Å; N340-A342 VanDerWaalsContact OD1-CA 3.31Å; N340-A342 WeakPolarHBondContact OD1-CA 3.41Å; N340-A342 WeakPolarHBondContact OD1-CB 3.24Å; N340-A342 PolarHBondContact OD1-N 2.72Å; A342-S374 CarbonylContact O-C 3.57Å; A342-S374 WeakPolarHBondContact O-CA 3.45Å; A342-S374 WeakPolarHBondContact O-CB 3.49Å; A342-Q375 PolarHBondContact O-N 2.96Å |
| 343 | M | 69.8 | Low | 81.6 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -105.4 | 109.5 | -173.8 | -70.4 | -174.7 | -66.1 | 0 | 0 | 112.5 | Y278 N340 N345 A346 F368 V372 | Y278-M343 WeakPolarHBondContact O-CE 3.32Å; N340-M343 HydrophobicContact CB-CB 4.19Å; N340-M343 HydrophobicContact CB-CE 3.83Å; N340-M343 VanDerWaalsContact CG-CE 3.46Å; N340-M343 WeakPolarHBondContact ND2-CE 3.12Å; N340-M343 PolarHBondContact O-N 3.39Å; N340-M343 VanDerWaalsContact O-O 3.05Å; N340-M343 PolarHBondContact OD1-N 2.85Å; M343-N345 PolarHBondContact O-N 3.12Å; M343-A346 HydrophobicContact CB-CB 3.84Å; M343-A346 HydrophobicContact CE-CB 4.33Å; M343-A346 PolarHBondContact O-N 3.25Å; M343-F368 HydrophobicContact CE-CD2 3.38Å; M343-F368 HydrophobicContact CE-CE2 3.32Å; M343-F368 HydrophobicContact CE-CZ 4.48Å; M343-F368 HydrophobicContact SD-CD2 3.92Å; M343-F368 HydrophobicContact SD-CE2 3.63Å; M343-V372 HydrophobicContact CB-CG1 3.93Å; M343-V372 HydrophobicContact CG-CG1 4.41Å; M343-V372 HydrophobicContact SD-CB 4.12Å; M343-V372 HydrophobicContact SD-CG1 4.41Å; M343-V372 VanDerWaalsContact SD-O 3.37Å |
| 344 | R | 66.2 | Low | 82.2 | Confident | 179 Ų | 179 | 54.9 Ų | 54.9 | 68% | 0.675 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 129.6 | 177.4 | -83.2 | -175.4 | 176.8 | -172.4 | -0.4 | 110.8 | A346 Q375 | R344-A346 PolarHBondContact O-N 3.3Å; R344-Q375 HydrophobicContact CG-CG 4.27Å |
| 345 | N | 74 | Confident | 82.4 | Confident | 139 Ų | 139 | 56.9 Ų | 56.9 | 74% | 0.743 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 5.4 | 173 | -52 | -21.2 | 0 | 0 | 0 | 116 | M343 N367 | M343-N345 PolarHBondContact O-N 3.12Å; N345-N367 PolarHBondContact O-ND2 3.3Å |
| 346 | A | 82.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | trans | -74.4 | 127.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | N340 M343 R344 N367 V372 | N340-A346 HydrophobicContact CB-CB 4.37Å; N340-A346 PolarHBondContact N-O 2.75Å; M343-A346 HydrophobicContact CB-CB 3.84Å; M343-A346 HydrophobicContact CE-CB 4.33Å; M343-A346 PolarHBondContact O-N 3.25Å; R344-A346 PolarHBondContact O-N 3.3Å; A346-N367 WeakPolarHBondContact CA-OD1 3.36Å; A346-V372 HydrophobicContact CB-CG1 4.23Å | ||
| 347 | F | 87.6 | Confident | 82.2 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 34% | 0.342 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 149.9 | 175.2 | 75.5 | -92.5 | 0 | 0 | 0 | 110.7 | L338 L349 S365 S366 N367 | L338-F347 WeakPolarHBondContact O-CA 3.45Å; F347-L349 HydrophobicContact CD2-CB 4.32Å; F347-L349 HydrophobicContact CE2-CB 4.49Å; F347-S365 WeakPolarHBondContact CE2-O 3.35Å; F347-S366 WeakPolarHBondContact O-CA 3.46Å; F347-S366 WeakPolarHBondContact O-CB 3.05Å; F347-S366 PolarHBondContact O-OG 3.3Å; F347-N367 HydrophobicContact CD1-CB 4.14Å; F347-N367 WeakPolarHBondContact CD1-ND2 3.37Å; F347-N367 VanDerWaalsContact CD1-OD1 3.27Å; F347-N367 WeakPolarHBondContact CD1-OD1 3.43Å; F347-N367 HydrophobicContact CE1-CB 3.7Å; F347-N367 VanDerWaalsContact CE1-CG 3.42Å; F347-N367 HydrophobicContact CZ-CB 4.3Å; F347-N367 PolarHBondContact N-OD1 2.71Å; F347-N367 PolarHBondContact O-N 3.15Å; F347-N367 PolarHBondContact O-OD1 3.26Å |
| 348 | I | 90.3 | Very high | 82.6 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.2 | 165.5 | -69.6 | 161.1 | 0 | 0 | 0 | 105.6 | I276 F287 L338 I350 S366 | I276-I348 HydrophobicContact CD1-CG2 4.43Å; I276-I348 HydrophobicContact CG2-CD1 3.92Å; I276-I348 HydrophobicContact CG2-CG1 4.18Å; I276-I348 HydrophobicContact CG2-CG2 3.87Å; F287-I348 HydrophobicContact CD2-CD1 3.75Å; F287-I348 HydrophobicContact CD2-CG2 4.36Å; F287-I348 HydrophobicContact CE2-CD1 3.73Å; L338-I348 HydrophobicContact CB-CB 4.26Å; L338-I348 HydrophobicContact CD1-CG2 4.39Å; L338-I348 PolarHBondContact N-O 3.19Å; L338-I348 PolarHBondContact O-N 3.48Å; I348-I350 HydrophobicContact CG2-CD1 4.28Å; I348-I350 HydrophobicContact CG2-CG1 4.05Å; I348-S366 VanDerWaalsContact CG1-OG 3.29Å; I348-S366 WeakPolarHBondContact CG1-OG 3.18Å |
| 349 | L | 92.2 | Very high | 83 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.8 | 174 | 178.4 | 65.7 | 0 | 0 | 0 | 107.9 | Q335 W336 R337 F347 I364 S365 | Q335-L349 HydrophobicContact CB-CD1 4.11Å; Q335-L349 HydrophobicContact CG-CD1 4.41Å; W336-L349 WeakPolarHBondContact O-CA 3.37Å; R337-L349 HydrophobicContact CB-CD1 4.33Å; F347-L349 HydrophobicContact CD2-CB 4.32Å; F347-L349 HydrophobicContact CE2-CB 4.49Å; L349-I364 WeakPolarHBondContact O-CA 3.06Å; L349-S365 PolarHBondContact N-O 2.87Å; L349-S365 PolarHBondContact O-N 3.48Å |
| 350 | I | 93.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.3 | 173.9 | -57.1 | 161.1 | 0 | 0 | 0 | 106.3 | I276 V289 V308 Q335 W336 L338 I348 V362 | I276-I350 HydrophobicContact CD1-CD1 3.69Å; I276-I350 HydrophobicContact CD1-CG1 3.75Å; V289-I350 HydrophobicContact CG1-CG2 4.4Å; V289-I350 HydrophobicContact CG2-CD1 3.83Å; V289-I350 HydrophobicContact CG2-CG1 4.41Å; V289-I350 HydrophobicContact CG2-CG2 4.11Å; V308-I350 HydrophobicContact CG1-CD1 3.71Å; V308-I350 HydrophobicContact CG2-CD1 4.13Å; V308-I350 HydrophobicContact CG2-CG2 4.33Å; Q335-I350 CarbonylContact C-O 3.53Å; Q335-I350 VanDerWaalsContact CA-O 3.25Å; Q335-I350 WeakPolarHBondContact CA-O 3.47Å; W336-I350 HydrophobicContact CB-CB 4.33Å; W336-I350 HydrophobicContact CE3-CB 4.23Å; W336-I350 HydrophobicContact CE3-CG2 4.1Å; W336-I350 HydrophobicContact CZ3-CG2 4.46Å; W336-I350 PolarHBondContact N-O 3.14Å; W336-I350 PolarHBondContact O-N 2.79Å; L338-I350 HydrophobicContact CD1-CD1 3.88Å; I348-I350 HydrophobicContact CG2-CD1 4.28Å; I348-I350 HydrophobicContact CG2-CG1 4.05Å; I350-V362 HydrophobicContact CG2-CG2 3.6Å |
| 351 | E | 92.7 | Very high | 85.5 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 126.7 | -176.7 | 175.9 | 175.5 | -146.2 | 0 | 0 | 110.9 | Q335 L353 V362 K363 | Q335-E351 HydrophobicContact CG-CB 4.02Å; Q335-E351 HydrophobicContact CG-CG 3.9Å; Q335-E351 VanDerWaalsContact NE2-CD 3.35Å; Q335-E351 PolarHBondContact NE2-OE1 2.86Å; E351-L353 HydrophobicContact CG-CD2 4.02Å; E351-L353 PolarHBondContact O-N 3.16Å; E351-V362 CarbonylContact O-C 3.42Å; E351-V362 WeakPolarHBondContact O-CA 3.31Å; E351-V362 WeakPolarHBondContact O-CG2 3.5Å; E351-K363 HydrophobicContact CB-CB 4.35Å; E351-K363 PolarHBondContact N-O 3.14Å; E351-K363 PolarHBondContact O-N 2.99Å |
| 352 | T | 92.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 105.4 | 173.1 | -48.3 | 0 | 0 | 0 | 0 | 110 | L306 N331 G333 T334 | L306-T352 HydrophobicContact CD1-CG2 3.81Å; L306-T352 WeakPolarHBondContact CD1-OG1 3.43Å; L306-T352 HydrophobicContact CG-CG2 4.41Å; N331-T352 WeakPolarHBondContact O-CB 3.39Å; G333-T352 PolarHBondContact N-O 3.11Å; T334-T352 PolarHBondContact O-N 3.24Å |
| 353 | L | 93.7 | Very high | 88.9 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -30.7 | 177.6 | -63.1 | -172 | 0 | 0 | 0 | 112.9 | I255 R332 E351 T361 K363 | I255-L353 HydrophobicContact CD1-CD1 4.17Å; I255-L353 HydrophobicContact CG1-CD1 4.27Å; I255-L353 HydrophobicContact CG2-CD1 4.08Å; R332-L353 WeakPolarHBondContact CD-O 3.4Å; R332-L353 WeakPolarHBondContact CG-O 3.39Å; R332-L353 PolarHBondContact NE-O 3.45Å; E351-L353 HydrophobicContact CG-CD2 4.02Å; E351-L353 PolarHBondContact O-N 3.16Å; L353-T361 HydrophobicContact CB-CG2 4.08Å; L353-T361 HydrophobicContact CD1-CG2 4.06Å; L353-T361 PolarHBondContact N-O 3.1Å; L353-K363 HydrophobicContact CD1-CB 3.89Å; L353-K363 HydrophobicContact CD2-CB 4.06Å; L353-K363 HydrophobicContact CD2-CD 4.41Å; L353-K363 HydrophobicContact CG-CB 3.87Å |
| 354 | G | 92.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | 157.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A360 T361 | G354-A360 CarbonylContact O-C 3.54Å; G354-A360 WeakPolarHBondContact O-CA 3.48Å; G354-T361 PolarHBondContact N-O 3.29Å; G354-T361 PolarHBondContact O-N 2.65Å |
| 355 | L | 91.3 | Very high | 91.3 | Very high | 55 Ų | 55 | 40.8 Ų | 40.8 | 29% | 0.288 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 121.9 | -179.2 | -178.3 | 73.7 | 0 | 0 | 0 | 107.5 | L291 G304 A360 | L291-L355 HydrophobicContact CD1-CD1 3.45Å; L291-L355 VanDerWaalsContact CD1-CD1 3.45Å; G304-L355 WeakPolarHBondContact O-CD2 2.93Å; L355-A360 HydrophobicContact CD1-CB 3.93Å |
| 356 | W | 89 | Confident | 92.1 | Very high | 153 Ų | 153 | 34.6 Ų | 34.6 | 58% | 0.58 | 19% | 0.187 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 104.7 | -177.1 | -52.5 | -86.7 | 0 | 0 | 0 | 109.8 | S358 E359 T361 | W356-S358 PolarHBondContact O-N 3.1Å; W356-E359 PolarHBondContact N-O 3.4Å; W356-E359 PolarHBondContact O-N 2.82Å; W356-T361 WeakPolarHBondContact CZ3-OG1 3.29Å |
| 357 | G | 87.4 | Confident | 92.3 | Very high | 69 Ų | 69 | 37.1 Ų | 37.1 | 71% | 0.711 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | -113.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T293 | T293-G357 VanDerWaalsContact CG2-O 3.28Å; T293-G357 WeakPolarHBondContact CG2-O 3.3Å |
| 358 | S | 93.8 | Very high | 92.2 | Very high | 44 Ų | 44 | 33.5 Ų | 33.5 | 31% | 0.308 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 10.4 | -179.1 | 56.1 | 0 | 0 | 0 | 0 | 115.4 | S260 L291 W356 | S260-S358 PolarHBondContact N-O 3.09Å; L291-S358 WeakPolarHBondContact CD2-O 3.39Å; W356-S358 PolarHBondContact O-N 3.1Å |
| 359 | E | 95.7 | Very high | 91.9 | Very high | 66 Ų | 66 | 34.4 Ų | 34.4 | 31% | 0.308 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 150.9 | -178.8 | -63.8 | -177.6 | -179.4 | 0 | 0 | 112.5 | R257 L258 L291 W356 | R257-E359 IonicContact CZ-OE2 3.61Å; R257-E359 IonicContact NH2-OE1 3.64Å; R257-E359 IonicContact NH2-OE2 2.72Å; R257-E359 PolarHBondContact NH2-OE2 3.32Å; L258-E359 CarbonylContact O-C 3.46Å; L258-E359 VanDerWaalsContact O-CA 3.29Å; L258-E359 WeakPolarHBondContact O-CA 3.38Å; L291-E359 VanDerWaalsContact CD2-C 3.43Å; W356-E359 PolarHBondContact N-O 3.4Å; W356-E359 PolarHBondContact O-N 2.82Å |
| 360 | A | 95.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 154.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R257 L258 L291 L306 G354 L355 | R257-A360 CarbonylContact C-O 3.52Å; R257-A360 VanDerWaalsContact CA-O 3.28Å; R257-A360 WeakPolarHBondContact CA-O 3.21Å; L258-A360 HydrophobicContact CB-CB 4.44Å; L258-A360 PolarHBondContact N-O 3.27Å; L258-A360 PolarHBondContact O-N 3.42Å; L291-A360 HydrophobicContact CD1-CB 4.23Å; L291-A360 HydrophobicContact CD2-CB 3.87Å; L291-A360 HydrophobicContact CG-CB 4.49Å; L306-A360 HydrophobicContact CD1-CB 4.38Å; L306-A360 HydrophobicContact CD2-CB 3.79Å; L306-A360 HydrophobicContact CG-CB 4.12Å; G354-A360 CarbonylContact O-C 3.54Å; G354-A360 WeakPolarHBondContact O-CA 3.48Å; L355-A360 HydrophobicContact CD1-CB 3.93Å |
| 361 | T | 96.4 | Very high | 91 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 14% | 0.135 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127.7 | 166.7 | -62.7 | 0 | 0 | 0 | 0 | 109.3 | I255 F256 L353 G354 W356 | I255-T361 HydrophobicContact CG2-CG2 3.5Å; F256-T361 CarbonylContact O-C 3.45Å; F256-T361 WeakPolarHBondContact O-CA 3.36Å; L353-T361 HydrophobicContact CB-CG2 4.08Å; L353-T361 HydrophobicContact CD1-CG2 4.06Å; L353-T361 PolarHBondContact N-O 3.1Å; G354-T361 PolarHBondContact N-O 3.29Å; G354-T361 PolarHBondContact O-N 2.65Å; W356-T361 WeakPolarHBondContact CZ3-OG1 3.29Å |
| 362 | V | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.4 | -178.5 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | I255 F256 L258 L274 V289 L306 I350 E351 I364 | I255-V362 WeakPolarHBondContact CA-O 3.41Å; F256-V362 HydrophobicContact CB-CG1 4.07Å; F256-V362 PolarHBondContact N-O 3.37Å; F256-V362 PolarHBondContact O-N 2.96Å; L258-V362 HydrophobicContact CD1-CB 4.39Å; L258-V362 HydrophobicContact CD1-CG1 3.72Å; L258-V362 HydrophobicContact CG-CG1 4.27Å; L274-V362 HydrophobicContact CD1-CG1 3.47Å; L274-V362 VanDerWaalsContact CD1-CG1 3.47Å; V289-V362 HydrophobicContact CG1-CG2 4.45Å; L306-V362 HydrophobicContact CD1-CB 4.01Å; L306-V362 HydrophobicContact CD1-CG2 4.19Å; I350-V362 HydrophobicContact CG2-CG2 3.6Å; E351-V362 CarbonylContact O-C 3.42Å; E351-V362 WeakPolarHBondContact O-CA 3.31Å; E351-V362 WeakPolarHBondContact O-CG2 3.5Å; V362-I364 HydrophobicContact CG2-CG1 4.43Å |
| 363 | K | 95.5 | Very high | 90.1 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 27% | 0.274 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.2 | 170.6 | -179.8 | -178.7 | 174 | -170.2 | 0 | 109.3 | P253 G254 I255 E351 L353 | P253-K363 HydrophobicContact CB-CG 4.35Å; G254-K363 CarbonylContact O-C 3.59Å; G254-K363 WeakPolarHBondContact O-CA 3.31Å; I255-K363 HydrophobicContact CG1-CB 4.39Å; I255-K363 HydrophobicContact CG1-CG 4.29Å; E351-K363 HydrophobicContact CB-CB 4.35Å; E351-K363 PolarHBondContact N-O 3.14Å; E351-K363 PolarHBondContact O-N 2.99Å; L353-K363 HydrophobicContact CD1-CB 3.89Å; L353-K363 HydrophobicContact CD2-CB 4.06Å; L353-K363 HydrophobicContact CD2-CD 4.41Å; L353-K363 HydrophobicContact CG-CB 3.87Å |
| 364 | I | 95 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124 | 174 | -58.2 | 170 | 0 | 0 | 0 | 108.2 | F246 G254 F256 L274 I276 L349 V362 | F246-I364 HydrophobicContact CD1-CG2 3.83Å; F246-I364 HydrophobicContact CD2-CB 4.35Å; F246-I364 HydrophobicContact CD2-CD1 4.3Å; F246-I364 HydrophobicContact CD2-CG2 4.22Å; F246-I364 HydrophobicContact CE1-CB 4.44Å; F246-I364 HydrophobicContact CE1-CG2 3.51Å; F246-I364 HydrophobicContact CE2-CB 3.99Å; F246-I364 HydrophobicContact CE2-CG2 3.94Å; F246-I364 HydrophobicContact CG-CD1 4.49Å; F246-I364 HydrophobicContact CG-CG2 4.16Å; F246-I364 HydrophobicContact CZ-CB 4.03Å; F246-I364 HydrophobicContact CZ-CG2 3.58Å; G254-I364 PolarHBondContact N-O 3.31Å; G254-I364 PolarHBondContact O-N 3.1Å; F256-I364 HydrophobicContact CD2-CD1 3.88Å; F256-I364 HydrophobicContact CD2-CG1 4.3Å; F256-I364 HydrophobicContact CE2-CB 4.3Å; F256-I364 HydrophobicContact CE2-CD1 3.9Å; F256-I364 HydrophobicContact CE2-CG1 4.33Å; L274-I364 HydrophobicContact CB-CD1 4.39Å; L274-I364 HydrophobicContact CD1-CD1 3.58Å; I276-I364 HydrophobicContact CD1-CD1 3.53Å; I276-I364 HydrophobicContact CD1-CG1 4Å; I276-I364 HydrophobicContact CD1-CG2 3.99Å; I276-I364 HydrophobicContact CG1-CD1 3.9Å; I276-I364 HydrophobicContact CG1-CG2 4.49Å; L349-I364 WeakPolarHBondContact O-CA 3.06Å; V362-I364 HydrophobicContact CG2-CG1 4.43Å |
| 365 | S | 92.6 | Very high | 89.1 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 16% | 0.161 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.1 | 172.7 | -54.7 | 0 | 0 | 0 | 0 | 108.7 | F347 L349 | F347-S365 WeakPolarHBondContact CE2-O 3.35Å; L349-S365 PolarHBondContact N-O 2.87Å; L349-S365 PolarHBondContact O-N 3.48Å |
| 366 | S | 89.4 | Confident | 88.9 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 145.6 | 176.7 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | F347 I348 F368 | F347-S366 WeakPolarHBondContact O-CA 3.46Å; F347-S366 WeakPolarHBondContact O-CB 3.05Å; F347-S366 PolarHBondContact O-OG 3.3Å; I348-S366 VanDerWaalsContact CG1-OG 3.29Å; I348-S366 WeakPolarHBondContact CG1-OG 3.18Å; S366-F368 VanDerWaalsContact OG-CB 3.29Å; S366-F368 WeakPolarHBondContact OG-CB 3.43Å; S366-F368 PolarHBondContact OG-N 2.81Å |
| 367 | N | 86.1 | Confident | 89 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | trans | -103.2 | 6.6 | 166 | 70.9 | -15.1 | 0 | 0 | 0 | 112.3 | N345 A346 F347 T369 | N345-N367 PolarHBondContact O-ND2 3.3Å; A346-N367 WeakPolarHBondContact CA-OD1 3.36Å; F347-N367 HydrophobicContact CD1-CB 4.14Å; F347-N367 WeakPolarHBondContact CD1-ND2 3.37Å; F347-N367 VanDerWaalsContact CD1-OD1 3.27Å; F347-N367 WeakPolarHBondContact CD1-OD1 3.43Å; F347-N367 HydrophobicContact CE1-CB 3.7Å; F347-N367 VanDerWaalsContact CE1-CG 3.42Å; F347-N367 HydrophobicContact CZ-CB 4.3Å; F347-N367 PolarHBondContact N-OD1 2.71Å; F347-N367 PolarHBondContact O-N 3.15Å; F347-N367 PolarHBondContact O-OD1 3.26Å; N367-T369 PolarHBondContact O-N 2.74Å | ||
| 368 | F | 86.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | trans | -60.6 | 128.3 | 178.1 | 170.1 | -109.9 | 0 | 0 | 0 | 109.9 | A248 P277 R280 M343 S366 F454 | A248-F368 VanDerWaalsContact CB-O 3.25Å; A248-F368 WeakPolarHBondContact CB-O 3.39Å; P277-F368 HydrophobicContact CB-CE1 3.9Å; P277-F368 HydrophobicContact CG-CD1 4.37Å; P277-F368 HydrophobicContact CG-CE1 4.02Å; P277-F368 WeakPolarHBondContact O-CD1 3.29Å; P277-F368 VanDerWaalsContact O-CE1 3.28Å; P277-F368 WeakPolarHBondContact O-CE1 3.43Å; R280-F368 HydrophobicContact CB-CE2 4.3Å; R280-F368 HydrophobicContact CB-CZ 4.02Å; M343-F368 HydrophobicContact CE-CD2 3.38Å; M343-F368 HydrophobicContact CE-CE2 3.32Å; M343-F368 HydrophobicContact CE-CZ 4.48Å; M343-F368 HydrophobicContact SD-CD2 3.92Å; M343-F368 HydrophobicContact SD-CE2 3.63Å; S366-F368 VanDerWaalsContact OG-CB 3.29Å; S366-F368 WeakPolarHBondContact OG-CB 3.43Å; S366-F368 PolarHBondContact OG-N 2.81Å; F368-F454 HydrophobicContact CE1-CE1 4.3Å; F368-F454 HydrophobicContact CE1-CZ 4.42Å | ||
| 369 | T | 83.9 | Confident | 88.8 | Confident | 26 Ų | 26 | 39 Ų | 39 | 16% | 0.16 | 21% | 0.205 | C | C | . | . | trans | -138.2 | 155.4 | 166.4 | 61.8 | 0 | 0 | 0 | 0 | 107.8 | N367 T371 V372 | N367-T369 PolarHBondContact O-N 2.74Å; T369-T371 PolarHBondContact O-N 2.81Å; T369-T371 PolarHBondContact OG1-N 3.4Å; T369-T371 PolarHBondContact OG1-OG1 2.82Å; T369-V372 PolarHBondContact O-N 2.92Å | ||
| 370 | P | 83.6 | Confident | 88.5 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.039 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -14.6 | 171.8 | -26.3 | 34.9 | 0 | 0 | 0 | 114.1 | R280 Y451 F454 Y455 | R280-P370 HydrophobicContact CB-CB 3.97Å; R280-P370 WeakPolarHBondContact CD-O 3.23Å; P370-Y451 HydrophobicContact CB-CD1 3.68Å; P370-Y451 HydrophobicContact CB-CD2 4.33Å; P370-Y451 HydrophobicContact CB-CE1 4.27Å; P370-Y451 HydrophobicContact CB-CG 3.72Å; P370-Y451 WeakPolarHBondContact O-CD2 3.26Å; P370-Y451 WeakPolarHBondContact O-CE2 3.33Å; P370-Y451 PolarHBondContact O-OH 3.08Å; P370-F454 HydrophobicContact CB-CG 4.5Å; P370-F454 HydrophobicContact CG-CB 3.69Å; P370-F454 HydrophobicContact CG-CD1 3.69Å; P370-F454 HydrophobicContact CG-CD2 4.09Å; P370-F454 HydrophobicContact CG-CE1 4.34Å; P370-F454 HydrophobicContact CG-CG 3.54Å; P370-Y455 HydrophobicContact CG-CE2 4.22Å |
| 371 | T | 83.6 | Confident | 88.1 | Confident | 55 Ų | 55 | 41.7 Ų | 41.7 | 34% | 0.337 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.4 | 178.8 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | T369 C373 C390 Y451 | T369-T371 PolarHBondContact O-N 2.81Å; T369-T371 PolarHBondContact OG1-N 3.4Å; T369-T371 PolarHBondContact OG1-OG1 2.82Å; T371-C373 PolarHBondContact O-N 2.78Å; T371-C390 PolarHBondContact O-SG 2.99Å; T371-C390 VanDerWaalsContact O-SG 3.37Å; T371-Y451 HydrophobicContact CG2-CD2 4.08Å |
| 372 | V | 81.2 | Confident | 87.5 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -77 | 122.2 | 174.3 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | R280 M343 A346 T369 | R280-V372 PolarHBondContact NH1-O 2.93Å; M343-V372 HydrophobicContact CB-CG1 3.93Å; M343-V372 HydrophobicContact CG-CG1 4.41Å; M343-V372 HydrophobicContact SD-CB 4.12Å; M343-V372 HydrophobicContact SD-CG1 4.41Å; M343-V372 VanDerWaalsContact SD-O 3.37Å; A346-V372 HydrophobicContact CB-CG1 4.23Å; T369-V372 PolarHBondContact O-N 2.92Å |
| 373 | C | 84.4 | Confident | 86.8 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 12% | 0.122 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -89.1 | 153.1 | -174.3 | -53.6 | 0 | 0 | 0 | 0 | 113.2 | T371 E377 C390 | T371-C373 PolarHBondContact O-N 2.78Å; C373-E377 HydrophobicContact CB-CB 4.04Å; C373-C390 WeakPolarHBondContact CA-SG 3.34Å; C373-C390 HydrophobicContact CB-CB 3.7Å; C373-C390 WeakPolarHBondContact CB-SG 3.46Å; C373-C390 PolarHBondContact N-SG 3.16Å; C373-C390 VanDerWaalsContact N-SG 3.37Å; C373-C390 WeakPolarHBondContact SG-CA 3.41Å; C373-C390 WeakPolarHBondContact SG-CB 3.29Å; C373-C390 CovalentContact SG-SG 2.05Å; C373-C390 PolarHBondContact SG-SG 3.23Å |
| 374 | S | 84.1 | Confident | 85.7 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -76.1 | 170.9 | 173.9 | 76.8 | 0 | 0 | 0 | 0 | 112.6 | A342 K376 E377 | A342-S374 CarbonylContact O-C 3.57Å; A342-S374 WeakPolarHBondContact O-CA 3.45Å; A342-S374 WeakPolarHBondContact O-CB 3.49Å; S374-K376 PolarHBondContact O-N 2.85Å; S374-K376 PolarHBondContact OG-N 2.76Å; S374-E377 WeakPolarHBondContact CA-OE2 3.33Å; S374-E377 WeakPolarHBondContact CB-OE2 3.18Å; S374-E377 PolarHBondContact N-OE2 3.03Å; S374-E377 PolarHBondContact O-N 2.85Å; S374-E377 VanDerWaalsContact O-N 3.1Å; S374-E377 WeakPolarHBondContact OG-CG 3.14Å; S374-E377 PolarHBondContact OG-OE2 3.41Å |
| 375 | Q | 81.1 | Confident | 84.8 | Confident | 133 Ų | 133 | 46.9 Ų | 46.9 | 62% | 0.621 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -28.6 | 176.5 | -61.1 | -172.5 | 11.2 | 0 | 0 | 114.1 | P341 A342 R344 E377 | P341-Q375 PolarHBondContact O-NE2 3.48Å; A342-Q375 PolarHBondContact O-N 2.96Å; R344-Q375 HydrophobicContact CG-CG 4.27Å; Q375-E377 VanDerWaalsContact C-N 3.26Å; Q375-E377 PolarHBondContact O-N 2.88Å |
| 376 | K | 87 | Confident | 84.1 | Confident | 181 Ų | 181 | 54.6 Ų | 54.6 | 79% | 0.787 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 3.6 | -179.7 | -63.8 | -177.1 | 179.8 | 179.5 | 0 | 112.9 | S374 A393 | S374-K376 PolarHBondContact O-N 2.85Å; S374-K376 PolarHBondContact OG-N 2.76Å; K376-A393 PolarHBondContact O-N 3.5Å; K376-A393 VanDerWaalsContact O-N 3.17Å |
| 377 | E | 90.4 | Very high | 83.9 | Confident | 37 Ų | 37 | 57.2 Ų | 57.2 | 17% | 0.173 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 164.2 | -171.6 | -67.6 | 166.7 | 134.3 | 0 | 0 | 111.4 | R280 C373 S374 Q375 C390 V391 R447 | R280-E377 IonicContact CZ-OE2 2.71Å; R280-E377 IonicContact NH1-OE2 3.17Å; R280-E377 IonicContact NH2-OE1 3.7Å; R280-E377 PolarHBondContact NH2-OE1 3.44Å; R280-E377 IonicContact NH2-OE2 2.61Å; R280-E377 PolarHBondContact NH2-OE2 2.77Å; C373-E377 HydrophobicContact CB-CB 4.04Å; S374-E377 WeakPolarHBondContact CA-OE2 3.33Å; S374-E377 WeakPolarHBondContact CB-OE2 3.18Å; S374-E377 PolarHBondContact N-OE2 3.03Å; S374-E377 PolarHBondContact O-N 2.85Å; S374-E377 VanDerWaalsContact O-N 3.1Å; S374-E377 WeakPolarHBondContact OG-CG 3.14Å; S374-E377 PolarHBondContact OG-OE2 3.41Å; Q375-E377 VanDerWaalsContact C-N 3.26Å; Q375-E377 PolarHBondContact O-N 2.88Å; E377-C390 HydrophobicContact CB-CB 4.46Å; E377-V391 CarbonylContact C-O 3.5Å; E377-V391 WeakPolarHBondContact CA-O 3.34Å; E377-V391 VanDerWaalsContact CB-O 3.25Å; E377-V391 WeakPolarHBondContact CB-O 3.3Å; E377-R447 IonicContact OE1-CZ 2.88Å; E377-R447 IonicContact OE1-NH1 3.56Å; E377-R447 PolarHBondContact OE1-NH1 3.09Å; E377-R447 IonicContact OE1-NH2 2.82Å; E377-R447 PolarHBondContact OE1-NH2 2.98Å |
| 378 | A | 88.9 | Confident | 83.9 | Confident | 13 Ų | 13 | 58 Ų | 58 | 11% | 0.107 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V391 R396 | A378-V391 PolarHBondContact N-O 2.82Å; A378-V391 PolarHBondContact O-N 2.79Å; A378-V391 VanDerWaalsContact O-N 3.09Å; A378-R396 HydrophobicContact CB-CB 4.23Å; A378-R396 HydrophobicContact CB-CG 4.01Å |
| 379 | P | 89.1 | Confident | 84.1 | Confident | 52 Ų | 52 | 57.9 Ų | 57.9 | 34% | 0.338 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 138.9 | 171.9 | 29.2 | -33.6 | 0 | 0 | 0 | 110.5 | L388 R396 | P379-L388 HydrophobicContact CB-CB 4.39Å; P379-L388 HydrophobicContact CB-CD1 4.04Å; P379-L388 HydrophobicContact CB-CD2 4.26Å; P379-L388 HydrophobicContact CB-CG 4.47Å; P379-R396 PolarHBondContact O-NE 3.36Å |
| 380 | R | 88.6 | Confident | 84.4 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.6 | 175.4 | -175.2 | -152.7 | 71.2 | 111.4 | -22 | 109.3 | L388 V389 V391 D445 | R380-L388 CarbonylContact O-C 3.52Å; R380-L388 WeakPolarHBondContact O-CA 3.29Å; R380-V389 HydrophobicContact CB-CG1 4.32Å; R380-V389 PolarHBondContact N-O 3.37Å; R380-V389 PolarHBondContact O-N 3.28Å; R380-V391 HydrophobicContact CB-CG1 4.13Å; R380-V391 HydrophobicContact CB-CG2 4.1Å; R380-D445 IonicContact NH2-OD1 3.41Å; R380-D445 PolarHBondContact NH2-OD1 3.16Å; R380-D445 VanDerWaalsContact NH2-OD1 3.12Å |
| 381 | L | 86.2 | Confident | 84.8 | Confident | 108 Ų | 108 | 56.7 Ų | 56.7 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 134.8 | 170 | -75.1 | 167.8 | 0 | 0 | 0 | 110.8 | L388 | L381-L388 HydrophobicContact CD2-CD2 3.86Å; L381-L388 HydrophobicContact CG-CD2 4.12Å |
| 382 | V | 84.1 | Confident | 85.2 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 141.8 | 171.7 | 176.5 | 0 | 0 | 0 | 0 | 109.6 | G384 K385 D387 V389 L426 W448 | V382-G384 PolarHBondContact O-N 2.79Å; V382-G384 VanDerWaalsContact O-N 3.13Å; V382-K385 HydrophobicContact CB-CB 4.1Å; V382-K385 HydrophobicContact CG1-CB 4.25Å; V382-K385 HydrophobicContact CG1-CG 4.29Å; V382-K385 PolarHBondContact O-N 3.29Å; V382-D387 PolarHBondContact N-O 2.84Å; V382-V389 HydrophobicContact CG2-CB 3.98Å; V382-V389 HydrophobicContact CG2-CG1 3.8Å; V382-L426 HydrophobicContact CG1-CD1 3.64Å; V382-W448 HydrophobicContact CG1-CD2 4.25Å; V382-W448 HydrophobicContact CG1-CG 4.41Å; V382-W448 HydrophobicContact CG2-CB 4.07Å; V382-W448 VanDerWaalsContact CG2-CD1 3.44Å; V382-W448 HydrophobicContact CG2-CD2 4.28Å; V382-W448 HydrophobicContact CG2-CG 3.66Å |
| 383 | F | 80.2 | Confident | 85.6 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 9% | 0.088 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 122.7 | -176 | -71 | -58.7 | 0 | 0 | 0 | 111.6 | K385 A399 V403 T425 S427 L431 I441 | F383-K385 PolarHBondContact O-N 2.88Å; F383-A399 HydrophobicContact CE1-CB 4.11Å; F383-A399 HydrophobicContact CE2-CB 4.07Å; F383-A399 HydrophobicContact CZ-CB 3.48Å; F383-A399 VanDerWaalsContact CZ-CB 3.48Å; F383-V403 HydrophobicContact CD1-CG2 4.12Å; F383-V403 HydrophobicContact CE1-CG2 3.3Å; F383-V403 HydrophobicContact CZ-CG2 3.86Å; F383-T425 HydrophobicContact CB-CG2 4.01Å; F383-T425 HydrophobicContact CD2-CG2 3.57Å; F383-T425 HydrophobicContact CE2-CG2 4.19Å; F383-T425 HydrophobicContact CG-CG2 3.91Å; F383-S427 VanDerWaalsContact O-CB 3.29Å; F383-S427 WeakPolarHBondContact O-CB 3.33Å; F383-S427 PolarHBondContact O-OG 3.39Å; F383-L431 HydrophobicContact CE2-CD1 4.02Å; F383-L431 HydrophobicContact CZ-CD1 3.98Å; F383-I441 HydrophobicContact CE2-CD1 4.34Å; F383-I441 HydrophobicContact CE2-CG2 3.9Å |
| 384 | G | 72.4 | Confident | 85.9 | Confident | 66 Ų | 66 | 62 Ų | 62 | 68% | 0.68 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 17.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V382 | V382-G384 PolarHBondContact O-N 2.79Å; V382-G384 VanDerWaalsContact O-N 3.13Å |
| 385 | K | 76.5 | Confident | 86.3 | Confident | 106 Ų | 106 | 61.7 Ų | 61.7 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -130.6 | 147.6 | 176.6 | -63.3 | -68.2 | -176.6 | 177.6 | 0 | 109.3 | V382 F383 D387 W448 | V382-K385 HydrophobicContact CB-CB 4.1Å; V382-K385 HydrophobicContact CG1-CB 4.25Å; V382-K385 HydrophobicContact CG1-CG 4.29Å; V382-K385 PolarHBondContact O-N 3.29Å; F383-K385 PolarHBondContact O-N 2.88Å; K385-D387 HydrophobicContact CB-CB 4.36Å; K385-D387 PolarHBondContact O-N 3.37Å; K385-W448 HydrophobicContact CG-CZ2 4.46Å |
| 386 | Q | 78.6 | Confident | 86.8 | Confident | 185 Ų | 185 | 62 Ų | 62 | 86% | 0.864 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -78.5 | -3.3 | 171.2 | -69.1 | -174.3 | -15.6 | 0 | 0 | 112.5 | ||
| 387 | D | 84.9 | Confident | 87 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 34% | 0.342 | 32% | 0.321 | S | S | . | . | trans | -71.5 | 150.7 | 178.1 | -65.5 | -27 | 0 | 0 | 0 | 112.6 | V382 K385 W448 | V382-D387 PolarHBondContact N-O 2.84Å; K385-D387 HydrophobicContact CB-CB 4.36Å; K385-D387 PolarHBondContact O-N 3.37Å; D387-W448 VanDerWaalsContact CB-NE1 3.27Å; D387-W448 VanDerWaalsContact OD2-CZ2 3.32Å; D387-W448 WeakPolarHBondContact OD2-CZ2 3.38Å; D387-W448 PolarHBondContact OD2-NE1 2.95Å | ||
| 388 | L | 86.9 | Confident | 87.1 | Confident | 71 Ų | 71 | 55 Ų | 55 | 37% | 0.372 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 144.9 | 176.1 | -61.4 | 173.8 | 0 | 0 | 0 | 111.1 | P379 R380 L381 | P379-L388 HydrophobicContact CB-CB 4.39Å; P379-L388 HydrophobicContact CB-CD1 4.04Å; P379-L388 HydrophobicContact CB-CD2 4.26Å; P379-L388 HydrophobicContact CB-CG 4.47Å; R380-L388 CarbonylContact O-C 3.52Å; R380-L388 WeakPolarHBondContact O-CA 3.29Å; L381-L388 HydrophobicContact CD2-CD2 3.86Å; L381-L388 HydrophobicContact CG-CD2 4.12Å |
| 389 | V | 90.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139.9 | 165.3 | 64.4 | 0 | 0 | 0 | 0 | 109.7 | R380 V382 V391 Q444 R447 W448 Y451 | R380-V389 HydrophobicContact CB-CG1 4.32Å; R380-V389 PolarHBondContact N-O 3.37Å; R380-V389 PolarHBondContact O-N 3.28Å; V382-V389 HydrophobicContact CG2-CB 3.98Å; V382-V389 HydrophobicContact CG2-CG1 3.8Å; V389-V391 HydrophobicContact CG1-CG1 3.93Å; V389-Q444 WeakPolarHBondContact CG2-O 3.03Å; V389-R447 HydrophobicContact CG2-CB 4.12Å; V389-R447 HydrophobicContact CG2-CG 4.3Å; V389-W448 HydrophobicContact CB-CB 4.05Å; V389-W448 HydrophobicContact CG2-CB 3.98Å; V389-Y451 HydrophobicContact CG2-CD2 4.49Å; V389-Y451 HydrophobicContact CG2-CE2 4.01Å |
| 390 | C | 90.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 131.4 | 174.6 | -57.1 | 0 | 0 | 0 | 0 | 109.5 | T371 C373 E377 R447 Y451 | T371-C390 PolarHBondContact O-SG 2.99Å; T371-C390 VanDerWaalsContact O-SG 3.37Å; C373-C390 WeakPolarHBondContact CA-SG 3.34Å; C373-C390 HydrophobicContact CB-CB 3.7Å; C373-C390 WeakPolarHBondContact CB-SG 3.46Å; C373-C390 PolarHBondContact N-SG 3.16Å; C373-C390 VanDerWaalsContact N-SG 3.37Å; C373-C390 WeakPolarHBondContact SG-CA 3.41Å; C373-C390 WeakPolarHBondContact SG-CB 3.29Å; C373-C390 CovalentContact SG-SG 2.05Å; C373-C390 PolarHBondContact SG-SG 3.23Å; E377-C390 HydrophobicContact CB-CB 4.46Å; C390-R447 WeakPolarHBondContact O-CD 3.44Å; C390-R447 PolarHBondContact O-NH1 3.19Å; C390-Y451 WeakPolarHBondContact CB-OH 3.31Å |
| 391 | V | 91.7 | Very high | 87.2 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 154.4 | -179.3 | -49.3 | 0 | 0 | 0 | 0 | 108.3 | E377 A378 R380 V389 A393 R396 Q444 | E377-V391 CarbonylContact C-O 3.5Å; E377-V391 WeakPolarHBondContact CA-O 3.34Å; E377-V391 VanDerWaalsContact CB-O 3.25Å; E377-V391 WeakPolarHBondContact CB-O 3.3Å; A378-V391 PolarHBondContact N-O 2.82Å; A378-V391 PolarHBondContact O-N 2.79Å; A378-V391 VanDerWaalsContact O-N 3.09Å; R380-V391 HydrophobicContact CB-CG1 4.13Å; R380-V391 HydrophobicContact CB-CG2 4.1Å; V389-V391 HydrophobicContact CG1-CG1 3.93Å; V391-A393 PolarHBondContact O-N 3.43Å; V391-R396 HydrophobicContact CG2-CB 4.15Å; V391-Q444 HydrophobicContact CB-CG 4.14Å; V391-Q444 HydrophobicContact CG1-CB 4.11Å; V391-Q444 HydrophobicContact CG1-CG 3.46Å; V391-Q444 VanDerWaalsContact CG1-CG 3.46Å |
| 392 | A | 91.1 | Very high | 87.5 | Confident | 54 Ų | 54 | 58 Ų | 58 | 45% | 0.446 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.6 | 133.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | P394 A395 R396 | A392-P394 VanDerWaalsContact C-CD 3.41Å; A392-P394 VanDerWaalsContact C-N 3.29Å; A392-P394 VanDerWaalsContact O-N 3.14Å; A392-A395 HydrophobicContact CB-CB 4.3Å; A392-A395 WeakPolarHBondContact O-CA 3.27Å; A392-A395 WeakPolarHBondContact O-CB 3.48Å; A392-A395 PolarHBondContact O-N 3.41Å; A392-R396 PolarHBondContact O-N 2.97Å |
| 393 | A | 90.9 | Very high | 87.8 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -51.6 | -41.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K376 V391 A395 R396 | K376-A393 PolarHBondContact O-N 3.5Å; K376-A393 VanDerWaalsContact O-N 3.17Å; V391-A393 PolarHBondContact O-N 3.43Å; A393-A395 VanDerWaalsContact C-N 3.26Å; A393-A395 PolarHBondContact O-N 3.02Å; A393-R396 WeakPolarHBondContact O-CB 3.43Å; A393-R396 PolarHBondContact O-N 2.94Å |
| 394 | P | 91.3 | Very high | 88.4 | Confident | 115 Ų | 115 | 65.6 Ų | 65.6 | 75% | 0.747 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -63.7 | -27.4 | 174.8 | -22.9 | 35.1 | 0 | 0 | 0 | 114.4 | A392 R396 | A392-P394 VanDerWaalsContact C-CD 3.41Å; A392-P394 VanDerWaalsContact C-N 3.29Å; A392-P394 VanDerWaalsContact O-N 3.14Å; P394-R396 VanDerWaalsContact C-N 3.34Å |
| 395 | A | 92.6 | Very high | 89.4 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 15% | 0.149 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -84.5 | -4.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A392 A393 S397 V398 T440 Q444 | A392-A395 HydrophobicContact CB-CB 4.3Å; A392-A395 WeakPolarHBondContact O-CA 3.27Å; A392-A395 WeakPolarHBondContact O-CB 3.48Å; A392-A395 PolarHBondContact O-N 3.41Å; A393-A395 VanDerWaalsContact C-N 3.26Å; A393-A395 PolarHBondContact O-N 3.02Å; A395-S397 VanDerWaalsContact C-N 3.33Å; A395-S397 PolarHBondContact O-N 3.03Å; A395-V398 HydrophobicContact CB-CG2 4.41Å; A395-V398 WeakPolarHBondContact O-CB 3.47Å; A395-V398 WeakPolarHBondContact O-CG2 3.18Å; A395-V398 PolarHBondContact O-N 3.2Å; A395-T440 HydrophobicContact CB-CG2 3.98Å; A395-Q444 PolarHBondContact O-NE2 3.09Å |
| 396 | R | 91 | Very high | 90.3 | Very high | 139 Ų | 139 | 61.7 Ų | 61.7 | 53% | 0.525 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -42 | -176.6 | -169.2 | -168.1 | -172 | -169.3 | -8.4 | 113.2 | A378 P379 V391 A392 A393 P394 | A378-R396 HydrophobicContact CB-CB 4.23Å; A378-R396 HydrophobicContact CB-CG 4.01Å; P379-R396 PolarHBondContact O-NE 3.36Å; V391-R396 HydrophobicContact CG2-CB 4.15Å; A392-R396 PolarHBondContact O-N 2.97Å; A393-R396 WeakPolarHBondContact O-CB 3.43Å; A393-R396 PolarHBondContact O-N 2.94Å; P394-R396 VanDerWaalsContact C-N 3.34Å |
| 397 | S | 91.2 | Very high | 91 | Very high | 53 Ų | 53 | 62.5 Ų | 62.5 | 37% | 0.371 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11.2 | -174.6 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | A395 A399 M400 R401 | A395-S397 VanDerWaalsContact C-N 3.33Å; A395-S397 PolarHBondContact O-N 3.03Å; S397-A399 PolarHBondContact O-N 2.99Å; S397-M400 PolarHBondContact O-N 2.77Å; S397-R401 WeakPolarHBondContact O-CB 3.45Å; S397-R401 PolarHBondContact O-N 3.42Å; S397-R401 PolarHBondContact OG-NH2 3.26Å |
| 398 | V | 92.7 | Very high | 91.5 | Very high | 20 Ų | 20 | 69.1 Ų | 69.1 | 12% | 0.121 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.6 | -48.4 | -175.1 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | A395 M400 R401 A402 E437 T440 I441 | A395-V398 HydrophobicContact CB-CG2 4.41Å; A395-V398 WeakPolarHBondContact O-CB 3.47Å; A395-V398 WeakPolarHBondContact O-CG2 3.18Å; A395-V398 PolarHBondContact O-N 3.2Å; V398-M400 PolarHBondContact O-N 3.32Å; V398-R401 PolarHBondContact O-N 2.79Å; V398-A402 VanDerWaalsContact O-CB 3.27Å; V398-A402 WeakPolarHBondContact O-CB 3.36Å; V398-A402 PolarHBondContact O-N 3.49Å; V398-E437 HydrophobicContact CG1-CB 4.22Å; V398-E437 HydrophobicContact CG1-CG 3.93Å; V398-T440 HydrophobicContact CB-CG2 4.43Å; V398-T440 HydrophobicContact CG1-CG2 4.19Å; V398-T440 HydrophobicContact CG2-CG2 4.46Å; V398-I441 HydrophobicContact CG1-CG1 4.46Å |
| 399 | A | 88.1 | Confident | 91.9 | Very high | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F383 S397 A402 V403 | F383-A399 HydrophobicContact CE1-CB 4.11Å; F383-A399 HydrophobicContact CE2-CB 4.07Å; F383-A399 HydrophobicContact CZ-CB 3.48Å; F383-A399 VanDerWaalsContact CZ-CB 3.48Å; S397-A399 PolarHBondContact O-N 2.99Å; A399-A402 PolarHBondContact O-N 3.35Å; A399-V403 WeakPolarHBondContact O-CG2 3.2Å; A399-V403 PolarHBondContact O-N 2.96Å; A399-V403 VanDerWaalsContact O-N 3.12Å |
| 400 | M | 88.9 | Confident | 92.2 | Very high | 125 Ų | 125 | 68.5 Ų | 68.5 | 62% | 0.616 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.8 | -44.7 | -178.3 | -165.8 | -176.9 | -177.6 | 0 | 0 | 111.2 | S397 V398 A402 V403 M404 | S397-M400 PolarHBondContact O-N 2.77Å; V398-M400 PolarHBondContact O-N 3.32Å; M400-A402 PolarHBondContact O-N 3.28Å; M400-V403 PolarHBondContact O-N 2.8Å; M400-M404 HydrophobicContact CE-CE 3.46Å; M400-M404 VanDerWaalsContact CE-CE 3.46Å; M400-M404 HydrophobicContact CG-CE 3.51Å; M400-M404 WeakPolarHBondContact O-CG 3.06Å; M400-M404 PolarHBondContact O-N 3.5Å; M400-M404 HydrophobicContact SD-CE 3.79Å |
| 401 | R | 92 | Very high | 92.4 | Very high | 121 Ų | 121 | 71.8 Ų | 71.8 | 46% | 0.457 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 175.3 | -172 | -173.5 | -52.5 | 147.4 | 5.9 | 111.4 | S397 V398 V403 M404 E405 | S397-R401 WeakPolarHBondContact O-CB 3.45Å; S397-R401 PolarHBondContact O-N 3.42Å; S397-R401 PolarHBondContact OG-NH2 3.26Å; V398-R401 PolarHBondContact O-N 2.79Å; R401-V403 VanDerWaalsContact C-N 3.27Å; R401-V403 PolarHBondContact O-N 3.23Å; R401-M404 PolarHBondContact O-N 3.06Å; R401-M404 VanDerWaalsContact O-N 3.15Å; R401-E405 VanDerWaalsContact CG-OE1 3.24Å; R401-E405 WeakPolarHBondContact CG-OE1 3.46Å; R401-E405 WeakPolarHBondContact O-CG 3.27Å; R401-E405 PolarHBondContact O-N 3.47Å; R401-E405 VanDerWaalsContact O-N 3.08Å |
| 402 | A | 91.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V398 A399 M400 Q406 L433 I441 | V398-A402 VanDerWaalsContact O-CB 3.27Å; V398-A402 WeakPolarHBondContact O-CB 3.36Å; V398-A402 PolarHBondContact O-N 3.49Å; A399-A402 PolarHBondContact O-N 3.35Å; M400-A402 PolarHBondContact O-N 3.28Å; A402-Q406 WeakPolarHBondContact O-CG 3.42Å; A402-Q406 PolarHBondContact O-NE2 3.41Å; A402-L433 HydrophobicContact CB-CD2 3.53Å; A402-I441 HydrophobicContact CB-CD1 4.14Å |
| 403 | V | 90.3 | Very high | 92.4 | Very high | 55 Ų | 55 | 80.9 Ų | 80.9 | 33% | 0.333 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 112.2 | F383 A399 M400 R401 E405 Q406 L431 | F383-V403 HydrophobicContact CD1-CG2 4.12Å; F383-V403 HydrophobicContact CE1-CG2 3.3Å; F383-V403 HydrophobicContact CZ-CG2 3.86Å; A399-V403 WeakPolarHBondContact O-CG2 3.2Å; A399-V403 PolarHBondContact O-N 2.96Å; A399-V403 VanDerWaalsContact O-N 3.12Å; M400-V403 PolarHBondContact O-N 2.8Å; R401-V403 VanDerWaalsContact C-N 3.27Å; R401-V403 PolarHBondContact O-N 3.23Å; V403-E405 VanDerWaalsContact C-N 3.25Å; V403-E405 PolarHBondContact O-N 2.8Å; V403-Q406 WeakPolarHBondContact O-CG 3.43Å; V403-Q406 PolarHBondContact O-N 3.19Å; V403-L431 HydrophobicContact CG2-CD1 4.24Å; V403-L431 HydrophobicContact CG2-CD2 4.17Å |
| 404 | M | 92.8 | Very high | 92.3 | Very high | 128 Ų | 128 | 80 Ų | 80 | 63% | 0.631 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.9 | -31.7 | -179.7 | -67.1 | -167.8 | -142.3 | 0 | 0 | 112.9 | M400 R401 Q406 | M400-M404 HydrophobicContact CE-CE 3.46Å; M400-M404 VanDerWaalsContact CE-CE 3.46Å; M400-M404 HydrophobicContact CG-CE 3.51Å; M400-M404 WeakPolarHBondContact O-CG 3.06Å; M400-M404 PolarHBondContact O-N 3.5Å; M400-M404 HydrophobicContact SD-CE 3.79Å; R401-M404 PolarHBondContact O-N 3.06Å; R401-M404 VanDerWaalsContact O-N 3.15Å; M404-Q406 VanDerWaalsContact C-N 3.35Å; M404-Q406 PolarHBondContact O-N 2.67Å |
| 405 | E | 95 | Very high | 92.5 | Very high | 71 Ų | 71 | 79.1 Ų | 79.1 | 33% | 0.332 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -1.2 | -175.9 | -69.6 | -176.9 | -154.3 | 0 | 0 | 114.2 | R401 V403 K407 R408 R409 | R401-E405 VanDerWaalsContact CG-OE1 3.24Å; R401-E405 WeakPolarHBondContact CG-OE1 3.46Å; R401-E405 WeakPolarHBondContact O-CG 3.27Å; R401-E405 PolarHBondContact O-N 3.47Å; R401-E405 VanDerWaalsContact O-N 3.08Å; V403-E405 VanDerWaalsContact C-N 3.25Å; V403-E405 PolarHBondContact O-N 2.8Å; E405-K407 VanDerWaalsContact C-N 3.28Å; E405-K407 PolarHBondContact O-N 3.08Å; E405-K407 VanDerWaalsContact O-N 3.15Å; E405-R408 PolarHBondContact O-N 3.47Å; E405-R409 HydrophobicContact CB-CG 4.44Å; E405-R409 VanDerWaalsContact CB-NE 3.29Å; E405-R409 WeakPolarHBondContact O-CG 3.48Å; E405-R409 PolarHBondContact O-N 3.37Å; E405-R409 IonicContact OE1-NH2 3.79Å; E405-R409 IonicContact OE2-CZ 2.66Å; E405-R409 VanDerWaalsContact OE2-CZ 3.27Å; E405-R409 IonicContact OE2-NE 3.59Å; E405-R409 PolarHBondContact OE2-NE 3.2Å; E405-R409 VanDerWaalsContact OE2-NE 3.14Å; E405-R409 IonicContact OE2-NH2 2.97Å; E405-R409 PolarHBondContact OE2-NH2 2.84Å |
| 406 | Q | 94.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 79.5 Ų | 79.5 | 9% | 0.093 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56 | -37.8 | -172.5 | -72.2 | -55.4 | -52.1 | 0 | 0 | 114.2 | A402 V403 M404 R408 R409 M410 L431 C432 | A402-Q406 WeakPolarHBondContact O-CG 3.42Å; A402-Q406 PolarHBondContact O-NE2 3.41Å; V403-Q406 WeakPolarHBondContact O-CG 3.43Å; V403-Q406 PolarHBondContact O-N 3.19Å; M404-Q406 VanDerWaalsContact C-N 3.35Å; M404-Q406 PolarHBondContact O-N 2.67Å; Q406-R408 PolarHBondContact O-N 3.48Å; Q406-R408 VanDerWaalsContact O-N 3.15Å; Q406-R409 PolarHBondContact O-N 3.43Å; Q406-M410 HydrophobicContact CB-CE 4.48Å; Q406-M410 WeakPolarHBondContact O-CB 3.47Å; Q406-M410 PolarHBondContact O-N 2.61Å; Q406-L431 HydrophobicContact CG-CD2 3.68Å; Q406-C432 PolarHBondContact NE2-O 3.09Å |
| 407 | K | 93 | Very high | 93 | Very high | 202 Ų | 202 | 76.7 Ų | 76.7 | 88% | 0.878 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -56.1 | -32.2 | 176.2 | -70.1 | -173.4 | 177.8 | -177 | 0 | 112.9 | E405 | E405-K407 VanDerWaalsContact C-N 3.28Å; E405-K407 PolarHBondContact O-N 3.08Å; E405-K407 VanDerWaalsContact O-N 3.15Å |
| 408 | R | 94.7 | Very high | 93.1 | Very high | 202 Ų | 202 | 81.1 Ų | 81.1 | 76% | 0.762 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -85 | -20.1 | 180 | -64.5 | -177 | 178.2 | -177.8 | -1.1 | 112.8 | E405 Q406 K417 | E405-R408 PolarHBondContact O-N 3.47Å; Q406-R408 PolarHBondContact O-N 3.48Å; Q406-R408 VanDerWaalsContact O-N 3.15Å; R408-K417 VanDerWaalsContact O-CD 3.25Å; R408-K417 WeakPolarHBondContact O-CD 3.39Å; R408-K417 VanDerWaalsContact O-CE 3.27Å; R408-K417 WeakPolarHBondContact O-CE 3.4Å; R408-K417 PolarHBondContact O-NZ 3.02Å |
| 409 | R | 96.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 87.1 Ų | 87.1 | 2% | 0.023 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -103.7 | -17.1 | -170.5 | -57.4 | 178.2 | 179.3 | -162.9 | -2.1 | 113.6 | E405 Q406 K417 F420 C432 E437 | E405-R409 HydrophobicContact CB-CG 4.44Å; E405-R409 VanDerWaalsContact CB-NE 3.29Å; E405-R409 WeakPolarHBondContact O-CG 3.48Å; E405-R409 PolarHBondContact O-N 3.37Å; E405-R409 IonicContact OE1-NH2 3.79Å; E405-R409 IonicContact OE2-CZ 2.66Å; E405-R409 VanDerWaalsContact OE2-CZ 3.27Å; E405-R409 IonicContact OE2-NE 3.59Å; E405-R409 PolarHBondContact OE2-NE 3.2Å; E405-R409 VanDerWaalsContact OE2-NE 3.14Å; E405-R409 IonicContact OE2-NH2 2.97Å; E405-R409 PolarHBondContact OE2-NH2 2.84Å; Q406-R409 PolarHBondContact O-N 3.43Å; R409-K417 WeakPolarHBondContact O-CB 3.34Å; R409-K417 WeakPolarHBondContact O-CG 3.1Å; R409-K417 PolarHBondContact O-N 3.13Å; R409-F420 HydrophobicContact CB-CD1 3.97Å; R409-F420 HydrophobicContact CB-CD2 4.12Å; R409-F420 HydrophobicContact CB-CE1 4.11Å; R409-F420 HydrophobicContact CB-CE2 4.24Å; R409-F420 HydrophobicContact CB-CG 3.98Å; R409-F420 HydrophobicContact CB-CZ 4.24Å; R409-F420 HydrophobicContact CG-CD1 3.82Å; R409-F420 HydrophobicContact CG-CD2 4.42Å; R409-F420 HydrophobicContact CG-CE1 3.48Å; R409-F420 VanDerWaalsContact CG-CE1 3.48Å; R409-F420 HydrophobicContact CG-CE2 4.11Å; R409-F420 HydrophobicContact CG-CG 4.28Å; R409-F420 HydrophobicContact CG-CZ 3.64Å; R409-C432 HydrophobicContact CB-CB 3.79Å; R409-C432 WeakPolarHBondContact CD-O 3.35Å; R409-C432 PolarHBondContact NH1-O 3.3Å; R409-E437 IonicContact CZ-OE1 3.38Å; R409-E437 IonicContact CZ-OE2 2.65Å; R409-E437 VanDerWaalsContact NH1-CD 3.31Å; R409-E437 IonicContact NH1-OE1 3.27Å; R409-E437 PolarHBondContact NH1-OE1 3.27Å; R409-E437 IonicContact NH1-OE2 3.14Å; R409-E437 PolarHBondContact NH1-OE2 3.24Å; R409-E437 IonicContact NH2-OE1 2.69Å; R409-E437 PolarHBondContact NH2-OE1 3.26Å; R409-E437 IonicContact NH2-OE2 3.94Å; R409-E437 PolarHBondContact NH2-OE2 3.27Å |
| 410 | M | 95.8 | Very high | 93.6 | Very high | 52 Ų | 52 | 89.8 Ų | 89.8 | 26% | 0.256 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -107.3 | 143.1 | -178.4 | -156.7 | 175.5 | -54.9 | 0 | 0 | 110.6 | Q406 E415 K417 | Q406-M410 HydrophobicContact CB-CE 4.48Å; Q406-M410 WeakPolarHBondContact O-CB 3.47Å; Q406-M410 PolarHBondContact O-N 2.61Å; M410-E415 CarbonylContact C-O 3.58Å; M410-E415 WeakPolarHBondContact CA-O 3.4Å; M410-E415 VanDerWaalsContact CG-O 3.3Å; M410-E415 WeakPolarHBondContact CG-O 3.45Å; M410-K417 VanDerWaalsContact O-CE 3.29Å; M410-K417 WeakPolarHBondContact O-CE 3.46Å |
| 411 | L | 94.4 | Very high | 93.9 | Very high | 70 Ų | 70 | 86.4 Ų | 86.4 | 37% | 0.366 | 43% | 0.428 | S | S | . | . | trans | -79.7 | 159.5 | 170.1 | -69.1 | 171.9 | 0 | 0 | 0 | 110 | N413 G414 E415 K417 | L411-N413 WeakPolarHBondContact CB-OD1 3.5Å; L411-N413 PolarHBondContact O-N 3.36Å; L411-N413 VanDerWaalsContact O-N 3.14Å; L411-G414 PolarHBondContact O-N 3.42Å; L411-E415 HydrophobicContact CD1-CB 4.34Å; L411-E415 PolarHBondContact N-O 3.12Å; L411-K417 HydrophobicContact CD2-CD 4.48Å; L411-K417 HydrophobicContact CD2-CG 3.73Å; L411-K417 HydrophobicContact CG-CG 3.81Å | ||
| 412 | P | 91.1 | Very high | 94.1 | Very high | 144 Ų | 144 | 86.4 Ų | 86.4 | 94% | 0.935 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28 | 177.4 | -26.5 | 35.5 | 0 | 0 | 0 | 114.4 | G414 | P412-G414 PolarHBondContact O-N 3.43Š|
| 413 | N | 91.6 | Very high | 94.3 | Very high | 107 Ų | 107 | 88 Ų | 88 | 57% | 0.572 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 0.6 | 175.5 | 71.3 | -9.2 | 0 | 0 | 0 | 113.9 | L411 E415 | L411-N413 WeakPolarHBondContact CB-OD1 3.5Å; L411-N413 PolarHBondContact O-N 3.36Å; L411-N413 VanDerWaalsContact O-N 3.14Å; N413-E415 PolarHBondContact ND2-OE2 3Å; N413-E415 VanDerWaalsContact OD1-CB 3.31Å; N413-E415 WeakPolarHBondContact OD1-CB 3.45Å; N413-E415 PolarHBondContact OD1-N 3.18Å |
| 414 | G | 90 | Very high | 94.4 | Very high | 29 Ų | 29 | 89.1 Ų | 89.1 | 30% | 0.299 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 83.1 | 4.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | L411 P412 | L411-G414 PolarHBondContact O-N 3.42Å; P412-G414 PolarHBondContact O-N 3.43Å |
| 415 | E | 94.8 | Very high | 94.1 | Very high | 97 Ų | 97 | 83.3 Ų | 83.3 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 159.4 | 174.5 | -61.2 | -169.4 | 136.1 | 0 | 0 | 112.2 | M410 L411 N413 | M410-E415 CarbonylContact C-O 3.58Å; M410-E415 WeakPolarHBondContact CA-O 3.4Å; M410-E415 VanDerWaalsContact CG-O 3.3Å; M410-E415 WeakPolarHBondContact CG-O 3.45Å; L411-E415 HydrophobicContact CD1-CB 4.34Å; L411-E415 PolarHBondContact N-O 3.12Å; N413-E415 PolarHBondContact ND2-OE2 3Å; N413-E415 VanDerWaalsContact OD1-CB 3.31Å; N413-E415 WeakPolarHBondContact OD1-CB 3.45Å; N413-E415 PolarHBondContact OD1-N 3.18Å |
| 416 | C | 96.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 82.2 Ų | 82.2 | 18% | 0.176 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -80.6 | 136.5 | 177.4 | -62 | 0 | 0 | 0 | 0 | 110.3 | F420 C432 | C416-F420 HydrophobicContact CB-CB 4.06Å; C416-F420 WeakPolarHBondContact CB-O 3.47Å; C416-C432 WeakPolarHBondContact CA-SG 3.39Å; C416-C432 HydrophobicContact CB-CB 3.76Å; C416-C432 WeakPolarHBondContact CB-SG 3.38Å; C416-C432 WeakPolarHBondContact SG-CA 3.43Å; C416-C432 WeakPolarHBondContact SG-CB 3.38Å; C416-C432 CovalentContact SG-SG 2.05Å; C416-C432 PolarHBondContact SG-SG 3.35Å |
| 417 | K | 97 | Very high | 93.1 | Very high | 79 Ų | 79 | 83.4 Ų | 83.4 | 34% | 0.343 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -62 | 160.6 | 170.8 | -66.9 | -176.7 | -172.1 | 177.4 | 0 | 110.3 | R408 R409 M410 L411 N419 F420 | R408-K417 VanDerWaalsContact O-CD 3.25Å; R408-K417 WeakPolarHBondContact O-CD 3.39Å; R408-K417 VanDerWaalsContact O-CE 3.27Å; R408-K417 WeakPolarHBondContact O-CE 3.4Å; R408-K417 PolarHBondContact O-NZ 3.02Å; R409-K417 WeakPolarHBondContact O-CB 3.34Å; R409-K417 WeakPolarHBondContact O-CG 3.1Å; R409-K417 PolarHBondContact O-N 3.13Å; M410-K417 VanDerWaalsContact O-CE 3.29Å; M410-K417 WeakPolarHBondContact O-CE 3.46Å; L411-K417 HydrophobicContact CD2-CD 4.48Å; L411-K417 HydrophobicContact CD2-CG 3.73Å; L411-K417 HydrophobicContact CG-CG 3.81Å; K417-N419 PolarHBondContact O-N 3.48Å; K417-F420 HydrophobicContact CB-CD2 4.01Å; K417-F420 WeakPolarHBondContact O-CB 3.39Å; K417-F420 PolarHBondContact O-N 3.02Å |
| 418 | I | 93.6 | Very high | 92.8 | Very high | 147 Ų | 147 | 84.2 Ų | 84.2 | 75% | 0.754 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | 140.1 | 172.5 | -75.6 | 169.9 | 0 | 0 | 0 | 110.3 | F420 | I418-F420 WeakPolarHBondContact O-CD2 3.45Å; I418-F420 PolarHBondContact O-N 3.42Å |
| 419 | N | 93.9 | Very high | 92.5 | Very high | 145 Ų | 145 | 78.5 Ų | 78.5 | 78% | 0.775 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -3.9 | -174.1 | -53.8 | -36.3 | 0 | 0 | 0 | 116.6 | K417 | K417-N419 PolarHBondContact O-N 3.48Š|
| 420 | F | 97.4 | Very high | 92.3 | Very high | 59 Ų | 59 | 84.1 Ų | 84.1 | 26% | 0.259 | 42% | 0.423 | S | S | . | . | trans | -104.9 | 139.7 | 171.5 | -60.3 | -80.9 | 0 | 0 | 0 | 111.4 | R409 C416 K417 I418 C432 L433 T434 | R409-F420 HydrophobicContact CB-CD1 3.97Å; R409-F420 HydrophobicContact CB-CD2 4.12Å; R409-F420 HydrophobicContact CB-CE1 4.11Å; R409-F420 HydrophobicContact CB-CE2 4.24Å; R409-F420 HydrophobicContact CB-CG 3.98Å; R409-F420 HydrophobicContact CB-CZ 4.24Å; R409-F420 HydrophobicContact CG-CD1 3.82Å; R409-F420 HydrophobicContact CG-CD2 4.42Å; R409-F420 HydrophobicContact CG-CE1 3.48Å; R409-F420 VanDerWaalsContact CG-CE1 3.48Å; R409-F420 HydrophobicContact CG-CE2 4.11Å; R409-F420 HydrophobicContact CG-CG 4.28Å; R409-F420 HydrophobicContact CG-CZ 3.64Å; C416-F420 HydrophobicContact CB-CB 4.06Å; C416-F420 WeakPolarHBondContact CB-O 3.47Å; K417-F420 HydrophobicContact CB-CD2 4.01Å; K417-F420 WeakPolarHBondContact O-CB 3.39Å; K417-F420 PolarHBondContact O-N 3.02Å; I418-F420 WeakPolarHBondContact O-CD2 3.45Å; I418-F420 PolarHBondContact O-N 3.42Å; F420-C432 HydrophobicContact CB-CB 3.97Å; F420-L433 WeakPolarHBondContact CA-O 3.23Å; F420-T434 HydrophobicContact CD1-CG2 4.26Å; F420-T434 HydrophobicContact CE1-CG2 3.88Å | ||
| 421 | I | 96.1 | Very high | 92.2 | Very high | 55 Ų | 55 | 81.7 Ų | 81.7 | 28% | 0.282 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.1 | -177.6 | -54.3 | 172.8 | 0 | 0 | 0 | 108.5 | Y423 L433 R435 | I421-Y423 PolarHBondContact O-N 3.17Å; I421-L433 PolarHBondContact N-O 2.68Å; I421-L433 PolarHBondContact O-N 2.85Å; I421-R435 HydrophobicContact CD1-CB 4.19Å; I421-R435 HydrophobicContact CD1-CG 4.34Å |
| 422 | R | 95.3 | Very high | 92.3 | Very high | 121 Ų | 121 | 78.5 Ų | 78.5 | 46% | 0.457 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 129.5 | 174.1 | -175.1 | -178.7 | -77.9 | 170.8 | -1.6 | 110.2 | ||
| 423 | Y | 95 | Very high | 92.6 | Very high | 33 Ų | 33 | 71.6 Ų | 71.6 | 13% | 0.129 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 137.7 | 171.9 | -176.3 | -100 | 0 | 0 | 0 | 109.5 | I421 T425 L431 L433 R438 I441 A442 D445 | I421-Y423 PolarHBondContact O-N 3.17Å; Y423-T425 HydrophobicContact CD1-CG2 4.23Å; Y423-T425 HydrophobicContact CE1-CG2 4.25Å; Y423-L431 PolarHBondContact N-O 2.91Å; Y423-L431 PolarHBondContact O-N 3.12Å; Y423-L433 HydrophobicContact CD1-CD1 4.01Å; Y423-L433 HydrophobicContact CG-CD1 3.78Å; Y423-R438 HydrophobicContact CD2-CG 4.02Å; Y423-I441 HydrophobicContact CD1-CG2 4.23Å; Y423-I441 HydrophobicContact CE1-CG2 3.6Å; Y423-A442 HydrophobicContact CE2-CB 4.03Å; Y423-D445 PolarHBondContact OH-OD2 3.3Å |
| 424 | T | 92.5 | Very high | 92.8 | Very high | 79 Ų | 79 | 68.9 Ų | 68.9 | 49% | 0.485 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.4 | 174.8 | -55.9 | 0 | 0 | 0 | 0 | 108 | Q429 | T424-Q429 WeakPolarHBondContact CA-O 3.05Å |
| 425 | T | 87.7 | Confident | 93.1 | Very high | 6 Ų | 6 | 77.1 Ų | 77.1 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | trans | -70 | 170.5 | 179.5 | 69.6 | 0 | 0 | 0 | 0 | 111.4 | F383 Y423 S427 R428 Q429 L431 | F383-T425 HydrophobicContact CB-CG2 4.01Å; F383-T425 HydrophobicContact CD2-CG2 3.57Å; F383-T425 HydrophobicContact CE2-CG2 4.19Å; F383-T425 HydrophobicContact CG-CG2 3.91Å; Y423-T425 HydrophobicContact CD1-CG2 4.23Å; Y423-T425 HydrophobicContact CE1-CG2 4.25Å; T425-S427 PolarHBondContact O-N 3.49Å; T425-S427 PolarHBondContact OG1-N 3.34Å; T425-S427 PolarHBondContact OG1-OG 2.97Å; T425-R428 WeakPolarHBondContact O-CA 3.05Å; T425-R428 PolarHBondContact O-N 2.73Å; T425-Q429 HydrophobicContact CG2-CB 4.16Å; T425-Q429 PolarHBondContact N-O 3.27Å; T425-Q429 WeakPolarHBondContact OG1-CB 3.42Å; T425-Q429 PolarHBondContact OG1-N 3.18Å; T425-Q429 PolarHBondContact OG1-O 3.01Å; T425-L431 HydrophobicContact CG2-CD1 3.56Å; T425-L431 HydrophobicContact CG2-CG 4.03Å | ||
| 426 | L | 83.7 | Confident | 93.1 | Very high | 47 Ų | 47 | 78.5 Ų | 78.5 | 25% | 0.246 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27 | 172.5 | -62.6 | 168.4 | 0 | 0 | 0 | 113.7 | V382 R428 D445 W448 K449 | V382-L426 HydrophobicContact CG1-CD1 3.64Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-D445 HydrophobicContact CD1-CB 3.77Å; L426-D445 HydrophobicContact CD2-CB 4.49Å; L426-D445 HydrophobicContact CG-CB 4.07Å; L426-W448 HydrophobicContact CD1-CD2 4.01Å; L426-W448 HydrophobicContact CD1-CE3 3.29Å; L426-W448 HydrophobicContact CD1-CZ3 3.64Å; L426-W448 HydrophobicContact CD2-CE3 4.47Å; L426-W448 HydrophobicContact CD2-CZ3 4.31Å; L426-W448 HydrophobicContact CG-CE3 4.43Å; L426-W448 HydrophobicContact CG-CZ3 4.42Å; L426-K449 HydrophobicContact CD2-CD 4.41Å; L426-K449 HydrophobicContact CD2-CG 4.33Å |
| 427 | S | 83.8 | Confident | 93 | Very high | 45 Ų | 45 | 78.1 Ų | 78.1 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 11.3 | 173.1 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | F383 T425 Q429 | F383-S427 VanDerWaalsContact O-CB 3.29Å; F383-S427 WeakPolarHBondContact O-CB 3.33Å; F383-S427 PolarHBondContact O-OG 3.39Å; T425-S427 PolarHBondContact O-N 3.49Å; T425-S427 PolarHBondContact OG1-N 3.34Å; T425-S427 PolarHBondContact OG1-OG 2.97Å; S427-Q429 PolarHBondContact O-N 3Å |
| 428 | R | 88 | Confident | 92.9 | Very high | 220 Ų | 220 | 79.8 Ų | 79.8 | 83% | 0.83 | 37% | 0.37 | S | S | * | . | trans | 63.7 | 15.4 | -176.9 | -53.7 | -179 | 176.3 | 171.1 | -1.5 | 114.8 | T425 L426 | T425-R428 WeakPolarHBondContact O-CA 3.05Å; T425-R428 PolarHBondContact O-N 2.73Å; L426-R428 VanDerWaalsContact C-N 3.28Å | ||
| 429 | Q | 88 | Confident | 92.9 | Very high | 81 Ų | 81 | 75.9 Ų | 75.9 | 38% | 0.379 | 36% | 0.359 | S | S | . | . | trans | -71.1 | 134.5 | 171.4 | -172.2 | 179.7 | 8 | 0 | 0 | 109.6 | T424 T425 S427 L431 | T424-Q429 WeakPolarHBondContact CA-O 3.05Å; T425-Q429 HydrophobicContact CG2-CB 4.16Å; T425-Q429 PolarHBondContact N-O 3.27Å; T425-Q429 WeakPolarHBondContact OG1-CB 3.42Å; T425-Q429 PolarHBondContact OG1-N 3.18Å; T425-Q429 PolarHBondContact OG1-O 3.01Å; S427-Q429 PolarHBondContact O-N 3Å; Q429-L431 HydrophobicContact CG-CD2 4.2Å; Q429-L431 HydrophobicContact CG-CG 4.48Å | ||
| 430 | K | 91.2 | Very high | 92.9 | Very high | 125 Ų | 125 | 70.7 Ų | 70.7 | 54% | 0.543 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.4 | 174 | -64.5 | 178.8 | -176 | 173.4 | 0 | 109.3 | ||
| 431 | L | 93.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.9 | 176.3 | -62 | 177.3 | 0 | 0 | 0 | 110.2 | F383 V403 Q406 Y423 T425 Q429 L433 | F383-L431 HydrophobicContact CE2-CD1 4.02Å; F383-L431 HydrophobicContact CZ-CD1 3.98Å; V403-L431 HydrophobicContact CG2-CD1 4.24Å; V403-L431 HydrophobicContact CG2-CD2 4.17Å; Q406-L431 HydrophobicContact CG-CD2 3.68Å; Y423-L431 PolarHBondContact N-O 2.91Å; Y423-L431 PolarHBondContact O-N 3.12Å; T425-L431 HydrophobicContact CG2-CD1 3.56Å; T425-L431 HydrophobicContact CG2-CG 4.03Å; Q429-L431 HydrophobicContact CG-CD2 4.2Å; Q429-L431 HydrophobicContact CG-CG 4.48Å; L431-L433 HydrophobicContact CB-CD2 4.04Å; L431-L433 HydrophobicContact CB-CG 4.19Å |
| 432 | C | 97.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 115.8 | 170.5 | -63.4 | 0 | 0 | 0 | 0 | 109 | Q406 R409 C416 F420 | Q406-C432 PolarHBondContact NE2-O 3.09Å; R409-C432 HydrophobicContact CB-CB 3.79Å; R409-C432 WeakPolarHBondContact CD-O 3.35Å; R409-C432 PolarHBondContact NH1-O 3.3Å; C416-C432 WeakPolarHBondContact CA-SG 3.39Å; C416-C432 HydrophobicContact CB-CB 3.76Å; C416-C432 WeakPolarHBondContact CB-SG 3.38Å; C416-C432 WeakPolarHBondContact SG-CA 3.43Å; C416-C432 WeakPolarHBondContact SG-CB 3.38Å; C416-C432 CovalentContact SG-SG 2.05Å; C416-C432 PolarHBondContact SG-SG 3.35Å; F420-C432 HydrophobicContact CB-CB 3.97Å |
| 433 | L | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.8 | -169.9 | -57.8 | -178.1 | 0 | 0 | 0 | 111 | A402 F420 I421 Y423 L431 E437 R438 I441 | A402-L433 HydrophobicContact CB-CD2 3.53Å; F420-L433 WeakPolarHBondContact CA-O 3.23Å; I421-L433 PolarHBondContact N-O 2.68Å; I421-L433 PolarHBondContact O-N 2.85Å; Y423-L433 HydrophobicContact CD1-CD1 4.01Å; Y423-L433 HydrophobicContact CG-CD1 3.78Å; L431-L433 HydrophobicContact CB-CD2 4.04Å; L431-L433 HydrophobicContact CB-CG 4.19Å; L433-E437 HydrophobicContact CB-CB 4.18Å; L433-E437 HydrophobicContact CD2-CB 4.47Å; L433-R438 HydrophobicContact CB-CB 4.17Å; L433-R438 HydrophobicContact CD1-CB 4.17Å; L433-I441 HydrophobicContact CD1-CD1 3.79Å; L433-I441 HydrophobicContact CD2-CD1 4.01Å |
| 434 | T | 96.5 | Very high | 92 | Very high | 50 Ų | 50 | 66.6 Ų | 66.6 | 31% | 0.307 | 33% | 0.327 | S | S | . | . | trans | -65.2 | 163.8 | 162.3 | 64.2 | 0 | 0 | 0 | 0 | 110.1 | F420 N436 E437 R438 | F420-T434 HydrophobicContact CD1-CG2 4.26Å; F420-T434 HydrophobicContact CE1-CG2 3.88Å; T434-N436 VanDerWaalsContact C-N 3.29Å; T434-N436 PolarHBondContact O-N 3.22Å; T434-E437 WeakPolarHBondContact CB-OE2 3.42Å; T434-E437 WeakPolarHBondContact CG2-OE2 2.9Å; T434-E437 PolarHBondContact N-OE2 3.17Å; T434-E437 PolarHBondContact O-N 2.85Å; T434-E437 WeakPolarHBondContact OG1-CB 3.42Å; T434-E437 WeakPolarHBondContact OG1-CG 3.35Å; T434-E437 PolarHBondContact OG1-N 3.07Å; T434-E437 PolarHBondContact OG1-OE2 2.79Å; T434-R438 WeakPolarHBondContact O-CB 3.48Å; T434-R438 PolarHBondContact O-N 3.04Å | ||
| 435 | R | 95.6 | Very high | 91.8 | Very high | 201 Ų | 201 | 63 Ų | 63 | 76% | 0.758 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.1 | -42.1 | 179 | -168.7 | 175.3 | -178.6 | 177.9 | -0.4 | 112.5 | I421 R438 A439 | I421-R435 HydrophobicContact CD1-CB 4.19Å; I421-R435 HydrophobicContact CD1-CG 4.34Å; R435-R438 PolarHBondContact O-N 3.36Å; R435-A439 PolarHBondContact O-N 3.26Å; R435-A439 VanDerWaalsContact O-N 3.11Å |
| 436 | N | 94.7 | Very high | 91.9 | Very high | 127 Ų | 127 | 63.9 Ų | 63.9 | 68% | 0.679 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.5 | -41.8 | -178.7 | -67.9 | -7.2 | 0 | 0 | 0 | 112.4 | T434 A439 T440 | T434-N436 VanDerWaalsContact C-N 3.29Å; T434-N436 PolarHBondContact O-N 3.22Å; N436-A439 PolarHBondContact O-N 3.27Å; N436-T440 WeakPolarHBondContact O-CB 3.47Å; N436-T440 PolarHBondContact O-N 3.41Å; N436-T440 PolarHBondContact O-OG1 2.8Å |
| 437 | E | 94.8 | Very high | 92.2 | Very high | 18 Ų | 18 | 62.9 Ų | 62.9 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 175.5 | -69 | 167.3 | 140.1 | 0 | 0 | 111.5 | V398 R409 L433 T434 A439 T440 I441 | V398-E437 HydrophobicContact CG1-CB 4.22Å; V398-E437 HydrophobicContact CG1-CG 3.93Å; R409-E437 IonicContact CZ-OE1 3.38Å; R409-E437 IonicContact CZ-OE2 2.65Å; R409-E437 VanDerWaalsContact NH1-CD 3.31Å; R409-E437 IonicContact NH1-OE1 3.27Å; R409-E437 PolarHBondContact NH1-OE1 3.27Å; R409-E437 IonicContact NH1-OE2 3.14Å; R409-E437 PolarHBondContact NH1-OE2 3.24Å; R409-E437 IonicContact NH2-OE1 2.69Å; R409-E437 PolarHBondContact NH2-OE1 3.26Å; R409-E437 IonicContact NH2-OE2 3.94Å; R409-E437 PolarHBondContact NH2-OE2 3.27Å; L433-E437 HydrophobicContact CB-CB 4.18Å; L433-E437 HydrophobicContact CD2-CB 4.47Å; T434-E437 WeakPolarHBondContact CB-OE2 3.42Å; T434-E437 WeakPolarHBondContact CG2-OE2 2.9Å; T434-E437 PolarHBondContact N-OE2 3.17Å; T434-E437 PolarHBondContact O-N 2.85Å; T434-E437 WeakPolarHBondContact OG1-CB 3.42Å; T434-E437 WeakPolarHBondContact OG1-CG 3.35Å; T434-E437 PolarHBondContact OG1-N 3.07Å; T434-E437 PolarHBondContact OG1-OE2 2.79Å; E437-A439 PolarHBondContact O-N 2.87Å; E437-T440 PolarHBondContact O-N 3.3Å; E437-I441 WeakPolarHBondContact O-CB 2.65Å; E437-I441 WeakPolarHBondContact O-CG1 3.33Å; E437-I441 PolarHBondContact O-N 3.03Å |
| 438 | R | 94.5 | Very high | 92.5 | Very high | 114 Ų | 114 | 62.1 Ų | 62.1 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 175.9 | 179.9 | -176.6 | 171.7 | -158.6 | 0.6 | 111 | Y423 L433 T434 R435 A442 | Y423-R438 HydrophobicContact CD2-CG 4.02Å; L433-R438 HydrophobicContact CB-CB 4.17Å; L433-R438 HydrophobicContact CD1-CB 4.17Å; T434-R438 WeakPolarHBondContact O-CB 3.48Å; T434-R438 PolarHBondContact O-N 3.04Å; R435-R438 PolarHBondContact O-N 3.36Å; R438-A442 WeakPolarHBondContact O-CB 2.87Å; R438-A442 PolarHBondContact O-N 3.19Å |
| 439 | A | 94.1 | Very high | 92.5 | Very high | 64 Ų | 64 | 57 Ų | 57 | 53% | 0.529 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | R435 N436 E437 A442 E443 | R435-A439 PolarHBondContact O-N 3.26Å; R435-A439 VanDerWaalsContact O-N 3.11Å; N436-A439 PolarHBondContact O-N 3.27Å; E437-A439 PolarHBondContact O-N 2.87Å; A439-A442 PolarHBondContact O-N 3.21Å; A439-E443 WeakPolarHBondContact O-CB 3.25Å; A439-E443 PolarHBondContact O-N 3.3Å |
| 440 | T | 93.5 | Very high | 92.5 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 23% | 0.227 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.5 | -51.5 | 179.1 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | A395 V398 N436 E437 A442 E443 Q444 | A395-T440 HydrophobicContact CB-CG2 3.98Å; V398-T440 HydrophobicContact CB-CG2 4.43Å; V398-T440 HydrophobicContact CG1-CG2 4.19Å; V398-T440 HydrophobicContact CG2-CG2 4.46Å; N436-T440 WeakPolarHBondContact O-CB 3.47Å; N436-T440 PolarHBondContact O-N 3.41Å; N436-T440 PolarHBondContact O-OG1 2.8Å; E437-T440 PolarHBondContact O-N 3.3Å; T440-A442 PolarHBondContact O-N 2.93Å; T440-E443 WeakPolarHBondContact O-CB 3.28Å; T440-E443 PolarHBondContact O-N 3.21Å; T440-Q444 WeakPolarHBondContact O-CG 3.3Å; T440-Q444 PolarHBondContact O-N 3.19Å |
| 441 | I | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -39.1 | -178.5 | -69.3 | 168 | 0 | 0 | 0 | 111 | F383 V398 A402 Y423 L433 E437 E443 Q444 D445 | F383-I441 HydrophobicContact CE2-CD1 4.34Å; F383-I441 HydrophobicContact CE2-CG2 3.9Å; V398-I441 HydrophobicContact CG1-CG1 4.46Å; A402-I441 HydrophobicContact CB-CD1 4.14Å; Y423-I441 HydrophobicContact CD1-CG2 4.23Å; Y423-I441 HydrophobicContact CE1-CG2 3.6Å; L433-I441 HydrophobicContact CD1-CD1 3.79Å; L433-I441 HydrophobicContact CD2-CD1 4.01Å; E437-I441 WeakPolarHBondContact O-CB 2.65Å; E437-I441 WeakPolarHBondContact O-CG1 3.33Å; E437-I441 PolarHBondContact O-N 3.03Å; I441-E443 VanDerWaalsContact C-N 3.33Å; I441-E443 PolarHBondContact O-N 3.46Å; I441-Q444 PolarHBondContact O-N 3.24Å; I441-D445 WeakPolarHBondContact O-CB 3.49Å; I441-D445 PolarHBondContact O-N 3.36Å |
| 442 | A | 91 | Very high | 91.9 | Very high | 41 Ų | 41 | 57.7 Ų | 57.7 | 34% | 0.339 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y423 R438 A439 T440 G446 | Y423-A442 HydrophobicContact CE2-CB 4.03Å; R438-A442 WeakPolarHBondContact O-CB 2.87Å; R438-A442 PolarHBondContact O-N 3.19Å; A439-A442 PolarHBondContact O-N 3.21Å; T440-A442 PolarHBondContact O-N 2.93Å; A442-G446 PolarHBondContact O-N 3.17Å |
| 443 | E | 91.7 | Very high | 91.3 | Very high | 133 Ų | 133 | 61.6 Ų | 61.6 | 62% | 0.621 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.4 | -46.8 | 173.2 | -172.1 | -167.1 | 160.8 | 0 | 0 | 111.3 | A439 T440 I441 G446 R447 | A439-E443 WeakPolarHBondContact O-CB 3.25Å; A439-E443 PolarHBondContact O-N 3.3Å; T440-E443 WeakPolarHBondContact O-CB 3.28Å; T440-E443 PolarHBondContact O-N 3.21Å; I441-E443 VanDerWaalsContact C-N 3.33Å; I441-E443 PolarHBondContact O-N 3.46Å; E443-G446 CarbonylContact O-C 3.54Å; E443-G446 PolarHBondContact O-N 3.39Å; E443-R447 WeakPolarHBondContact O-CB 3.31Å; E443-R447 PolarHBondContact O-N 3Å |
| 444 | Q | 90.8 | Very high | 90.8 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 178 | -64.9 | 174.8 | 6.6 | 0 | 0 | 111.7 | V389 V391 A395 T440 I441 G446 R447 W448 | V389-Q444 WeakPolarHBondContact CG2-O 3.03Å; V391-Q444 HydrophobicContact CB-CG 4.14Å; V391-Q444 HydrophobicContact CG1-CB 4.11Å; V391-Q444 HydrophobicContact CG1-CG 3.46Å; V391-Q444 VanDerWaalsContact CG1-CG 3.46Å; A395-Q444 PolarHBondContact O-NE2 3.09Å; T440-Q444 WeakPolarHBondContact O-CG 3.3Å; T440-Q444 PolarHBondContact O-N 3.19Å; I441-Q444 PolarHBondContact O-N 3.24Å; Q444-G446 VanDerWaalsContact C-N 3.29Å; Q444-G446 PolarHBondContact O-N 3.32Å; Q444-R447 WeakPolarHBondContact O-CB 3.17Å; Q444-R447 PolarHBondContact O-N 3.07Å; Q444-R447 VanDerWaalsContact O-N 3.14Å; Q444-W448 PolarHBondContact O-N 3.22Å |
| 445 | D | 88.2 | Confident | 90.4 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -36.2 | 178.3 | -77 | 4.6 | 0 | 0 | 0 | 110.9 | R380 Y423 L426 I441 W448 K449 | R380-D445 IonicContact NH2-OD1 3.41Å; R380-D445 PolarHBondContact NH2-OD1 3.16Å; R380-D445 VanDerWaalsContact NH2-OD1 3.12Å; Y423-D445 PolarHBondContact OH-OD2 3.3Å; L426-D445 HydrophobicContact CD1-CB 3.77Å; L426-D445 HydrophobicContact CD2-CB 4.49Å; L426-D445 HydrophobicContact CG-CB 4.07Å; I441-D445 WeakPolarHBondContact O-CB 3.49Å; I441-D445 PolarHBondContact O-N 3.36Å; D445-W448 PolarHBondContact O-N 3.26Å; D445-K449 WeakPolarHBondContact O-CG 3.5Å; D445-K449 PolarHBondContact O-N 2.96Å |
| 446 | G | 89.8 | Confident | 89.9 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 25% | 0.247 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -40 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A442 E443 Q444 K449 R450 | A442-G446 PolarHBondContact O-N 3.17Å; E443-G446 CarbonylContact O-C 3.54Å; E443-G446 PolarHBondContact O-N 3.39Å; Q444-G446 VanDerWaalsContact C-N 3.29Å; Q444-G446 PolarHBondContact O-N 3.32Å; G446-K449 PolarHBondContact O-N 3.14Å; G446-R450 PolarHBondContact O-N 3.39Å |
| 447 | R | 90.4 | Very high | 89.4 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 175.2 | -168.7 | 177.8 | -162.1 | -178.8 | 8.8 | 112 | D281 E377 V389 C390 E443 Q444 K449 R450 Y451 | D281-R447 IonicContact OD1-CZ 3.92Å; D281-R447 IonicContact OD1-NE 3.07Å; D281-R447 PolarHBondContact OD1-NE 2.8Å; D281-R447 IonicContact OD1-NH2 2.8Å; D281-R447 PolarHBondContact OD1-NH2 3.05Å; D281-R447 IonicContact OD2-CZ 2.75Å; D281-R447 IonicContact OD2-NH2 2.72Å; D281-R447 PolarHBondContact OD2-NH2 3.14Å; E377-R447 IonicContact OE1-CZ 2.88Å; E377-R447 IonicContact OE1-NH1 3.56Å; E377-R447 PolarHBondContact OE1-NH1 3.09Å; E377-R447 IonicContact OE1-NH2 2.82Å; E377-R447 PolarHBondContact OE1-NH2 2.98Å; V389-R447 HydrophobicContact CG2-CB 4.12Å; V389-R447 HydrophobicContact CG2-CG 4.3Å; C390-R447 WeakPolarHBondContact O-CD 3.44Å; C390-R447 PolarHBondContact O-NH1 3.19Å; E443-R447 WeakPolarHBondContact O-CB 3.31Å; E443-R447 PolarHBondContact O-N 3Å; Q444-R447 WeakPolarHBondContact O-CB 3.17Å; Q444-R447 PolarHBondContact O-N 3.07Å; Q444-R447 VanDerWaalsContact O-N 3.14Å; R447-K449 VanDerWaalsContact C-N 3.3Å; R447-K449 PolarHBondContact O-N 3.3Å; R447-R450 WeakPolarHBondContact O-CA 3.45Å; R447-R450 WeakPolarHBondContact O-CB 3.21Å; R447-R450 PolarHBondContact O-N 3.42Å; R447-Y451 HydrophobicContact CG-CD1 4.33Å; R447-Y451 HydrophobicContact CG-CE1 3.59Å; R447-Y451 PolarHBondContact NE-OH 3.47Å; R447-Y451 VanDerWaalsContact NE-OH 3.1Å; R447-Y451 WeakPolarHBondContact O-CD1 2.92Å; R447-Y451 PolarHBondContact O-N 2.96Å |
| 448 | W | 89.9 | Confident | 89 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 11% | 0.114 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.1 | -41.8 | 174.3 | 178.2 | 80.5 | 0 | 0 | 0 | 112.1 | V382 K385 D387 V389 L426 Q444 D445 R450 Y451 Q452 | V382-W448 HydrophobicContact CG1-CD2 4.25Å; V382-W448 HydrophobicContact CG1-CG 4.41Å; V382-W448 HydrophobicContact CG2-CB 4.07Å; V382-W448 VanDerWaalsContact CG2-CD1 3.44Å; V382-W448 HydrophobicContact CG2-CD2 4.28Å; V382-W448 HydrophobicContact CG2-CG 3.66Å; K385-W448 HydrophobicContact CG-CZ2 4.46Å; D387-W448 VanDerWaalsContact CB-NE1 3.27Å; D387-W448 VanDerWaalsContact OD2-CZ2 3.32Å; D387-W448 WeakPolarHBondContact OD2-CZ2 3.38Å; D387-W448 PolarHBondContact OD2-NE1 2.95Å; V389-W448 HydrophobicContact CB-CB 4.05Å; V389-W448 HydrophobicContact CG2-CB 3.98Å; L426-W448 HydrophobicContact CD1-CD2 4.01Å; L426-W448 HydrophobicContact CD1-CE3 3.29Å; L426-W448 HydrophobicContact CD1-CZ3 3.64Å; L426-W448 HydrophobicContact CD2-CE3 4.47Å; L426-W448 HydrophobicContact CD2-CZ3 4.31Å; L426-W448 HydrophobicContact CG-CE3 4.43Å; L426-W448 HydrophobicContact CG-CZ3 4.42Å; Q444-W448 PolarHBondContact O-N 3.22Å; D445-W448 PolarHBondContact O-N 3.26Å; W448-R450 PolarHBondContact O-N 2.99Å; W448-Y451 WeakPolarHBondContact O-CB 3.18Å; W448-Y451 PolarHBondContact O-N 2.86Å; W448-Q452 HydrophobicContact CD2-CG 4.06Å; W448-Q452 HydrophobicContact CE3-CG 4.2Å; W448-Q452 HydrophobicContact CH2-CG 3.97Å; W448-Q452 HydrophobicContact CZ2-CG 3.77Å; W448-Q452 HydrophobicContact CZ3-CG 4.17Å; W448-Q452 WeakPolarHBondContact O-CG 3.28Å; W448-Q452 PolarHBondContact O-N 3.02Å; W448-Q452 VanDerWaalsContact O-N 3.1Å |
| 449 | K | 88.2 | Confident | 89 | Confident | 112 Ų | 112 | 53.3 Ų | 53.3 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.7 | -34.8 | 172.9 | -71.5 | -178.6 | -168.3 | -175.4 | 0 | 112.4 | L426 D445 G446 R447 N453 | L426-K449 HydrophobicContact CD2-CD 4.41Å; L426-K449 HydrophobicContact CD2-CG 4.33Å; D445-K449 WeakPolarHBondContact O-CG 3.5Å; D445-K449 PolarHBondContact O-N 2.96Å; G446-K449 PolarHBondContact O-N 3.14Å; R447-K449 VanDerWaalsContact C-N 3.3Å; R447-K449 PolarHBondContact O-N 3.3Å; K449-N453 PolarHBondContact O-N 3.46Å; K449-N453 PolarHBondContact O-ND2 3.14Å |
| 450 | R | 88 | Confident | 88.7 | Confident | 131 Ų | 131 | 52.6 Ų | 52.6 | 49% | 0.494 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 174.5 | -67.9 | -170.4 | -63.7 | -88.7 | 10.2 | 111.4 | G446 R447 W448 Q452 N453 F454 | G446-R450 PolarHBondContact O-N 3.39Å; R447-R450 WeakPolarHBondContact O-CA 3.45Å; R447-R450 WeakPolarHBondContact O-CB 3.21Å; R447-R450 PolarHBondContact O-N 3.42Å; W448-R450 PolarHBondContact O-N 2.99Å; R450-Q452 VanDerWaalsContact C-N 3.34Å; R450-Q452 PolarHBondContact O-N 3.39Å; R450-N453 CarbonylContact O-C 3.58Å; R450-N453 PolarHBondContact O-N 2.84Å; R450-F454 PolarHBondContact O-N 2.7Å |
| 451 | Y | 86.9 | Confident | 88.4 | Confident | 11 Ų | 11 | 51 Ų | 51 | 4% | 0.043 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 177.2 | -64.2 | -3 | 0 | 0 | 0 | 111.9 | R280 P370 T371 V389 C390 R447 W448 N453 F454 | R280-Y451 WeakPolarHBondContact CD-OH 3.21Å; R280-Y451 HydrophobicContact CG-CE1 4.42Å; R280-Y451 PolarHBondContact NE-OH 3.25Å; P370-Y451 HydrophobicContact CB-CD1 3.68Å; P370-Y451 HydrophobicContact CB-CD2 4.33Å; P370-Y451 HydrophobicContact CB-CE1 4.27Å; P370-Y451 HydrophobicContact CB-CG 3.72Å; P370-Y451 WeakPolarHBondContact O-CD2 3.26Å; P370-Y451 WeakPolarHBondContact O-CE2 3.33Å; P370-Y451 PolarHBondContact O-OH 3.08Å; T371-Y451 HydrophobicContact CG2-CD2 4.08Å; V389-Y451 HydrophobicContact CG2-CD2 4.49Å; V389-Y451 HydrophobicContact CG2-CE2 4.01Å; C390-Y451 WeakPolarHBondContact CB-OH 3.31Å; R447-Y451 HydrophobicContact CG-CD1 4.33Å; R447-Y451 HydrophobicContact CG-CE1 3.59Å; R447-Y451 PolarHBondContact NE-OH 3.47Å; R447-Y451 VanDerWaalsContact NE-OH 3.1Å; R447-Y451 WeakPolarHBondContact O-CD1 2.92Å; R447-Y451 PolarHBondContact O-N 2.96Å; W448-Y451 WeakPolarHBondContact O-CB 3.18Å; W448-Y451 PolarHBondContact O-N 2.86Å; Y451-N453 VanDerWaalsContact C-N 3.25Å; Y451-N453 PolarHBondContact O-N 3.34Å; Y451-F454 WeakPolarHBondContact O-CB 3.45Å; Y451-F454 PolarHBondContact O-N 3.01Å |
| 452 | Q | 84.8 | Confident | 88.1 | Confident | 79 Ų | 79 | 51.2 Ų | 51.2 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.7 | -35.1 | 178.8 | -63.3 | -56.9 | -43.7 | 0 | 0 | 112.6 | W448 R450 | W448-Q452 HydrophobicContact CD2-CG 4.06Å; W448-Q452 HydrophobicContact CE3-CG 4.2Å; W448-Q452 HydrophobicContact CH2-CG 3.97Å; W448-Q452 HydrophobicContact CZ2-CG 3.77Å; W448-Q452 HydrophobicContact CZ3-CG 4.17Å; W448-Q452 WeakPolarHBondContact O-CG 3.28Å; W448-Q452 PolarHBondContact O-N 3.02Å; W448-Q452 VanDerWaalsContact O-N 3.1Å; R450-Q452 VanDerWaalsContact C-N 3.34Å; R450-Q452 PolarHBondContact O-N 3.39Å |
| 453 | N | 85.5 | Confident | 88 | Confident | 85 Ų | 85 | 49.4 Ų | 49.4 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -93.8 | 0.6 | -178.5 | -64.3 | -57.1 | 0 | 0 | 0 | 113.4 | K449 R450 Y451 Y455 Q456 S457 | K449-N453 PolarHBondContact O-N 3.46Å; K449-N453 PolarHBondContact O-ND2 3.14Å; R450-N453 CarbonylContact O-C 3.58Å; R450-N453 PolarHBondContact O-N 2.84Å; Y451-N453 VanDerWaalsContact C-N 3.25Å; Y451-N453 PolarHBondContact O-N 3.34Å; N453-Y455 PolarHBondContact O-N 3.07Å; N453-Q456 PolarHBondContact O-N 3.38Å; N453-S457 PolarHBondContact O-N 2.94Å |
| 454 | F | 86.8 | Confident | 87.9 | Confident | 22 Ų | 22 | 43.5 Ų | 43.5 | 10% | 0.096 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -58.1 | -49.2 | -169.6 | -176.3 | -91 | 0 | 0 | 0 | 111.9 | F245 P277 R280 P283 F368 P370 R450 Y451 | F245-F454 HydrophobicContact CE1-CE1 4.19Å; F245-F454 AromaticContact CZ-CE1 4Å; F245-F454 HydrophobicContact CZ-CE1 4Å; F245-F454 HydrophobicContact CZ-CZ 4.34Å; P277-F454 HydrophobicContact CB-CE1 3.88Å; P277-F454 HydrophobicContact CB-CZ 3.8Å; P277-F454 HydrophobicContact CG-CE1 3.92Å; P277-F454 HydrophobicContact CG-CZ 4.36Å; R280-F454 WeakPolarHBondContact O-CE2 3.24Å; P283-F454 HydrophobicContact CB-CE2 4.02Å; P283-F454 HydrophobicContact CB-CZ 4.31Å; F368-F454 HydrophobicContact CE1-CE1 4.3Å; F368-F454 HydrophobicContact CE1-CZ 4.42Å; P370-F454 HydrophobicContact CB-CG 4.5Å; P370-F454 HydrophobicContact CG-CB 3.69Å; P370-F454 HydrophobicContact CG-CD1 3.69Å; P370-F454 HydrophobicContact CG-CD2 4.09Å; P370-F454 HydrophobicContact CG-CE1 4.34Å; P370-F454 HydrophobicContact CG-CG 3.54Å; R450-F454 PolarHBondContact O-N 2.7Å; Y451-F454 WeakPolarHBondContact O-CB 3.45Å; Y451-F454 PolarHBondContact O-N 3.01Å |
| 455 | Y | 86.9 | Confident | 88 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 18% | 0.18 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -89.3 | 0.4 | 177.7 | -61.7 | -68.6 | 0 | 0 | 0 | 114 | F245 N247 P277 P370 N453 | F245-Y455 HydrophobicContact CD1-CD1 4.19Å; F245-Y455 AromaticContact CE1-CD1 3.75Å; F245-Y455 HydrophobicContact CE1-CD1 3.75Å; F245-Y455 HydrophobicContact CE1-CE1 4.14Å; N247-Y455 HydrophobicContact CB-CD1 3.71Å; N247-Y455 HydrophobicContact CB-CE1 4.05Å; N247-Y455 HydrophobicContact CB-CG 4.02Å; N247-Y455 VanDerWaalsContact CG-CG 3.42Å; N247-Y455 WeakPolarHBondContact ND2-CB 3.43Å; N247-Y455 WeakPolarHBondContact OD1-CD2 3.48Å; N247-Y455 WeakPolarHBondContact OD1-CE2 3.32Å; P277-Y455 HydrophobicContact CG-CE1 3.94Å; P370-Y455 HydrophobicContact CG-CE2 4.22Å; N453-Y455 PolarHBondContact O-N 3.07Å |
| 456 | Q | 85.2 | Confident | 88.2 | Confident | 143 Ų | 143 | 47.5 Ų | 47.5 | 67% | 0.668 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -102.5 | 5.5 | -178.6 | -59.3 | -179.3 | 5.2 | 0 | 0 | 112.1 | N453 | N453-Q456 PolarHBondContact O-N 3.38Š|
| 457 | S | 84.6 | Confident | 88.1 | Confident | 46 Ų | 46 | 58 Ų | 58 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | trans | -63.8 | 127.9 | 178.2 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | N453 T459 | N453-S457 PolarHBondContact O-N 2.94Å; S457-T459 VanDerWaalsContact CB-O 3.3Å; S457-T459 WeakPolarHBondContact CB-O 3.37Å; S457-T459 PolarHBondContact O-N 3.44Å; S457-T459 PolarHBondContact OG-O 3.05Å | ||
| 458 | P | 87.1 | Confident | 88.1 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -70.9 | -9 | 180 | 30.1 | -36.9 | 0 | 0 | 0 | 113.4 | V470 | P458-V470 HydrophobicContact CB-CG1 3.94Å; P458-V470 HydrophobicContact CG-CG1 3.64Å |
| 459 | T | 92.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -138.8 | 148.3 | 176.9 | 63.1 | 0 | 0 | 0 | 0 | 107.8 | S457 M464 C465 W471 | S457-T459 VanDerWaalsContact CB-O 3.3Å; S457-T459 WeakPolarHBondContact CB-O 3.37Å; S457-T459 PolarHBondContact O-N 3.44Å; S457-T459 PolarHBondContact OG-O 3.05Å; T459-M464 WeakPolarHBondContact O-CG 3.4Å; T459-M464 WeakPolarHBondContact OG1-CG 3.49Å; T459-C465 HydrophobicContact CG2-CB 4.16Å; T459-C465 PolarHBondContact OG1-N 3.26Å; T459-C465 VanDerWaalsContact OG1-N 3.07Å; T459-W471 HydrophobicContact CG2-CB 4.37Å; T459-W471 HydrophobicContact CG2-CD2 3.61Å; T459-W471 HydrophobicContact CG2-CE3 4.25Å; T459-W471 HydrophobicContact CG2-CG 3.65Å; T459-W471 HydrophobicContact CG2-CZ2 4.34Å |
| 460 | Y | 89.8 | Confident | 88.8 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 19% | 0.192 | 27% | 0.273 | C | S | . | . | trans | -153.9 | -176.5 | -175 | 50.1 | -97.9 | 0 | 0 | 0 | 109.6 | F240 I243 F245 L275 W471 | F240-Y460 PolarHBondContact O-OH 2.89Å; F240-Y460 VanDerWaalsContact O-OH 3.09Å; I243-Y460 HydrophobicContact CB-CE2 4.44Å; I243-Y460 HydrophobicContact CG2-CE2 4.17Å; I243-Y460 PolarHBondContact O-OH 2.96Å; I243-Y460 VanDerWaalsContact O-OH 3.1Å; F245-Y460 HydrophobicContact CB-CD1 4.27Å; F245-Y460 HydrophobicContact CB-CD2 3.8Å; F245-Y460 HydrophobicContact CB-CE2 4.09Å; F245-Y460 HydrophobicContact CB-CG 3.88Å; F245-Y460 HydrophobicContact CD2-CD2 4.45Å; F245-Y460 HydrophobicContact CD2-CG 4.48Å; F245-Y460 HydrophobicContact CG-CD2 4.35Å; F245-Y460 HydrophobicContact CG-CG 4.17Å; L275-Y460 HydrophobicContact CD1-CD2 3.95Å; L275-Y460 HydrophobicContact CD1-CE2 4.4Å; Y460-W471 HydrophobicContact CD1-CH2 4.25Å; Y460-W471 HydrophobicContact CD2-CH2 4.26Å; Y460-W471 HydrophobicContact CE1-CH2 4.09Å; Y460-W471 HydrophobicContact CE1-CZ3 4.24Å; Y460-W471 HydrophobicContact CE2-CH2 4.13Å; Y460-W471 HydrophobicContact CG-CH2 4.33Å; Y460-W471 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 461 | G | 85.8 | Confident | 89.2 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 66.9 | -156.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | N463 M464 | G461-N463 VanDerWaalsContact C-N 3.34Å; G461-M464 WeakPolarHBondContact O-CB 3.33Å; G461-M464 PolarHBondContact O-N 2.81Å |
| 462 | L | 85.5 | Confident | 89.7 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -28.2 | -169.8 | -56.4 | -175.8 | 0 | 0 | 0 | 112.4 | P230 D233 Q284 I311 M464 F548 F549 | P230-L462 HydrophobicContact CB-CD1 4.25Å; P230-L462 WeakPolarHBondContact O-CD1 3.42Å; D233-L462 HydrophobicContact CB-CD1 4.27Å; D233-L462 WeakPolarHBondContact OD2-CB 3.48Å; D233-L462 VanDerWaalsContact OD2-CG 3.31Å; D233-L462 WeakPolarHBondContact OD2-CG 3.37Å; D233-L462 PolarHBondContact OD2-N 3.2Å; Q284-L462 HydrophobicContact CG-CD2 4.11Å; I311-L462 HydrophobicContact CG2-CD2 4.43Å; L462-M464 VanDerWaalsContact C-N 3.31Å; L462-M464 PolarHBondContact O-N 2.84Å; L462-F548 HydrophobicContact CB-CE1 4.26Å; L462-F548 HydrophobicContact CD1-CE1 3.64Å; L462-F548 HydrophobicContact CD1-CZ 4.09Å; L462-F548 HydrophobicContact CD2-CD1 4.4Å; L462-F548 HydrophobicContact CD2-CE1 3.47Å; L462-F548 VanDerWaalsContact CD2-CE1 3.47Å; L462-F548 HydrophobicContact CD2-CE2 3.7Å; L462-F548 HydrophobicContact CD2-CZ 3.09Å; L462-F548 HydrophobicContact CG-CE1 3.96Å; L462-F548 HydrophobicContact CG-CZ 4.08Å; L462-F549 HydrophobicContact CD1-CE2 3.78Å; L462-F549 HydrophobicContact CD1-CZ 4.12Å |
| 463 | N | 89.6 | Confident | 90.2 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.011 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 24 | 174.2 | -72.7 | -37.9 | 0 | 0 | 0 | 114.2 | D233 Y234 G461 C465 W471 Y479 L543 | D233-N463 PolarHBondContact O-ND2 2.03Å; Y234-N463 PolarHBondContact O-OD1 2.84Å; Y234-N463 VanDerWaalsContact O-OD1 3.14Å; G461-N463 VanDerWaalsContact C-N 3.34Å; N463-C465 PolarHBondContact O-N 3.17Å; N463-W471 PolarHBondContact O-NE1 3.34Å; N463-Y479 HydrophobicContact CB-CD1 3.19Å; N463-Y479 HydrophobicContact CB-CE1 3.79Å; N463-Y479 HydrophobicContact CB-CG 3.71Å; N463-L543 HydrophobicContact CB-CD2 4.41Å |
| 464 | M | 90.3 | Very high | 90.6 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 135.7 | 179.7 | -170.5 | 171.6 | 75.9 | 0 | 0 | 111.9 | P283 T459 G461 L462 R544 Y545 | P283-M464 HydrophobicContact CG-CE 3.72Å; P283-M464 HydrophobicContact CG-SD 4.34Å; T459-M464 WeakPolarHBondContact O-CG 3.4Å; T459-M464 WeakPolarHBondContact OG1-CG 3.49Å; G461-M464 WeakPolarHBondContact O-CB 3.33Å; G461-M464 PolarHBondContact O-N 2.81Å; L462-M464 VanDerWaalsContact C-N 3.31Å; L462-M464 PolarHBondContact O-N 2.84Å; M464-R544 HydrophobicContact CE-CG 4.49Å; M464-R544 VanDerWaalsContact O-CB 3.27Å; M464-R544 WeakPolarHBondContact O-CB 3.35Å; M464-R544 PolarHBondContact O-N 3.41Å; M464-Y545 HydrophobicContact CB-CD2 4.46Å; M464-Y545 HydrophobicContact CB-CE2 4.31Å; M464-Y545 HydrophobicContact CE-CE2 3.57Å |
| 465 | C | 92.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -78.2 | 154.5 | 178.4 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | T459 N463 C481 | T459-C465 HydrophobicContact CG2-CB 4.16Å; T459-C465 PolarHBondContact OG1-N 3.26Å; T459-C465 VanDerWaalsContact OG1-N 3.07Å; N463-C465 PolarHBondContact O-N 3.17Å; C465-C481 WeakPolarHBondContact CA-SG 3.27Å; C465-C481 HydrophobicContact CB-CB 3.85Å; C465-C481 WeakPolarHBondContact CB-SG 3.33Å; C465-C481 VanDerWaalsContact SG-CA 3.56Å; C465-C481 WeakPolarHBondContact SG-CB 3.37Å; C465-C481 CovalentContact SG-SG 2.03Å; C465-C481 PolarHBondContact SG-SG 3.3Å |
| 466 | K | 90.9 | Very high | 91.3 | Very high | 88 Ų | 88 | 46 Ų | 46 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 153.4 | 167.9 | -73.5 | -177.2 | -175.9 | 172.4 | 0 | 110.2 | G468 Y469 L541 R542 L543 R544 | K466-G468 PolarHBondContact O-N 3.1Å; K466-Y469 HydrophobicContact CB-CD2 4.18Å; K466-Y469 WeakPolarHBondContact O-CB 3.37Å; K466-Y469 PolarHBondContact O-N 3.1Å; K466-L541 VanDerWaalsContact CD-O 3.3Å; K466-L541 WeakPolarHBondContact CD-O 3.48Å; K466-L541 WeakPolarHBondContact CE-O 3.44Å; K466-L541 PolarHBondContact NZ-O 3.38Å; K466-R542 WeakPolarHBondContact CB-O 3.44Å; K466-R542 WeakPolarHBondContact CG-O 3.17Å; K466-R542 PolarHBondContact N-O 3.21Å; K466-L543 VanDerWaalsContact CE-O 3.27Å; K466-L543 WeakPolarHBondContact CE-O 3.24Å; K466-R544 HydrophobicContact CG-CB 4.13Å |
| 467 | R | 88.1 | Confident | 91.8 | Very high | 245 Ų | 245 | 40.9 Ų | 40.9 | 93% | 0.925 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 130.1 | 178 | -175.6 | 178.3 | 179.3 | 176.8 | -0.1 | 110.9 | ||
| 468 | G | 91.4 | Very high | 92.3 | Very high | 54 Ų | 54 | 39 Ų | 39 | 56% | 0.557 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | -5.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | K466 P484 | K466-G468 PolarHBondContact O-N 3.1Å; G468-P484 VanDerWaalsContact O-CD 3.22Å; G468-P484 WeakPolarHBondContact O-CD 3.44Å |
| 469 | Y | 95.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 35.3 Ų | 35.3 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | trans | -111 | 158.1 | 173.1 | -66.2 | -92.4 | 0 | 0 | 0 | 111.1 | K466 V482 T483 R542 | K466-Y469 HydrophobicContact CB-CD2 4.18Å; K466-Y469 WeakPolarHBondContact O-CB 3.37Å; K466-Y469 PolarHBondContact O-N 3.1Å; Y469-V482 CarbonylContact C-O 3.4Å; Y469-V482 VanDerWaalsContact CA-O 3.29Å; Y469-V482 WeakPolarHBondContact CA-O 3.45Å; Y469-T483 HydrophobicContact CD1-CG2 4.36Å; Y469-T483 HydrophobicContact CE1-CG2 3.96Å; Y469-R542 HydrophobicContact CD1-CB 4.17Å; Y469-R542 HydrophobicContact CD1-CG 3.98Å; Y469-R542 HydrophobicContact CE1-CB 4.33Å; Y469-R542 VanDerWaalsContact CE1-CD 3.43Å; Y469-R542 HydrophobicContact CE1-CG 3.64Å; Y469-R542 HydrophobicContact CE2-CG 4.45Å; Y469-R542 HydrophobicContact CG-CB 4.37Å | ||
| 470 | V | 96.7 | Very high | 92.8 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 9% | 0.085 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 158.8 | 176.6 | -63.6 | 0 | 0 | 0 | 0 | 109.1 | P458 R472 C481 V482 P484 R487 | P458-V470 HydrophobicContact CB-CG1 3.94Å; P458-V470 HydrophobicContact CG-CG1 3.64Å; V470-R472 PolarHBondContact O-N 3.24Å; V470-C481 WeakPolarHBondContact O-CA 3.3Å; V470-V482 PolarHBondContact N-O 3.17Å; V470-V482 PolarHBondContact O-N 3.13Å; V470-P484 HydrophobicContact CG1-CG 4.25Å; V470-P484 HydrophobicContact CG2-CG 4.43Å; V470-R487 HydrophobicContact CG2-CB 4.07Å |
| 471 | W | 96.6 | Very high | 93 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 139.1 | 170.2 | -59.7 | -38.7 | 0 | 0 | 0 | 110.7 | F240 T459 Y460 N463 A473 Y479 V480 R487 | F240-W471 HydrophobicContact CB-CE3 4.01Å; F240-W471 HydrophobicContact CB-CH2 3.9Å; F240-W471 HydrophobicContact CB-CZ3 3.47Å; F240-W471 VanDerWaalsContact CB-CZ3 3.47Å; F240-W471 HydrophobicContact CD1-CD2 4.46Å; F240-W471 AromaticContact CD1-CE3 3.84Å; F240-W471 HydrophobicContact CD1-CE3 3.84Å; F240-W471 HydrophobicContact CD1-CZ3 4.2Å; F240-W471 HydrophobicContact CD2-CE3 4.11Å; F240-W471 AromaticContact CD2-CZ3 3.98Å; F240-W471 HydrophobicContact CD2-CZ3 3.98Å; F240-W471 HydrophobicContact CE1-CE3 4.4Å; F240-W471 AromaticContact CG-CE3 3.71Å; F240-W471 HydrophobicContact CG-CE3 3.71Å; F240-W471 HydrophobicContact CG-CH2 4.5Å; F240-W471 AromaticContact CG-CZ3 3.63Å; F240-W471 HydrophobicContact CG-CZ3 3.63Å; T459-W471 HydrophobicContact CG2-CB 4.37Å; T459-W471 HydrophobicContact CG2-CD2 3.61Å; T459-W471 HydrophobicContact CG2-CE3 4.25Å; T459-W471 HydrophobicContact CG2-CG 3.65Å; T459-W471 HydrophobicContact CG2-CZ2 4.34Å; Y460-W471 HydrophobicContact CD1-CH2 4.25Å; Y460-W471 HydrophobicContact CD2-CH2 4.26Å; Y460-W471 HydrophobicContact CE1-CH2 4.09Å; Y460-W471 HydrophobicContact CE1-CZ3 4.24Å; Y460-W471 HydrophobicContact CE2-CH2 4.13Å; Y460-W471 HydrophobicContact CG-CH2 4.33Å; Y460-W471 WeakPolarHBondContact O-CZ2 3.41Å; N463-W471 PolarHBondContact O-NE1 3.34Å; W471-A473 VanDerWaalsContact C-N 3.3Å; W471-A473 HydrophobicContact CB-CB 4.33Å; W471-Y479 AromaticContact CD2-CD1 3.97Å; W471-Y479 HydrophobicContact CD2-CD1 3.97Å; W471-Y479 AromaticContact CE2-CD1 3.4Å; W471-Y479 VanDerWaalsContact CE2-CD1 3.4Å; W471-Y479 AromaticContact CE2-CE1 3.96Å; W471-Y479 HydrophobicContact CG-CD1 4.37Å; W471-Y479 HydrophobicContact CH2-CD1 4.27Å; W471-Y479 AromaticContact CH2-CE1 3.98Å; W471-Y479 HydrophobicContact CH2-CE1 3.98Å; W471-Y479 AromaticContact CZ2-CD1 3.58Å; W471-Y479 HydrophobicContact CZ2-CD1 3.58Å; W471-Y479 AromaticContact CZ2-CE1 3.66Å; W471-Y479 HydrophobicContact CZ2-CE1 3.66Å; W471-Y479 AromaticContact NE1-CD1 3.49Å; W471-V480 CarbonylContact C-O 3.54Å; W471-R487 VanDerWaalsContact O-CD 3.3Å; W471-R487 WeakPolarHBondContact O-CD 2.97Å; W471-R487 PolarHBondContact O-NE 3.1Å; W471-R487 PolarHBondContact O-NH1 3.45Å |
| 472 | R | 95.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 33 Ų | 33 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | trans | -63.8 | -41.8 | 175.1 | -174.9 | 174.9 | 62.9 | -171.5 | -5.8 | 109.6 | V470 I474 D478 V480 V482 I490 N536 | V470-R472 PolarHBondContact O-N 3.24Å; R472-I474 VanDerWaalsContact C-N 3.31Å; R472-I474 HydrophobicContact CG-CD1 4.31Å; R472-I474 HydrophobicContact CG-CG1 4.11Å; R472-I474 PolarHBondContact O-N 3.35Å; R472-D478 WeakPolarHBondContact CB-OD2 3.26Å; R472-D478 WeakPolarHBondContact CG-OD2 3.39Å; R472-D478 IonicContact CZ-OD1 3.89Å; R472-D478 IonicContact CZ-OD2 3.17Å; R472-D478 IonicContact NE-OD1 2.73Å; R472-D478 PolarHBondContact NE-OD1 3.08Å; R472-D478 IonicContact NE-OD2 3.42Å; R472-D478 PolarHBondContact NE-OD2 3.04Å; R472-D478 IonicContact NH2-OD1 3.38Å; R472-D478 PolarHBondContact NH2-OD1 3.43Å; R472-D478 IonicContact NH2-OD2 2.65Å; R472-V480 WeakPolarHBondContact CA-O 3.23Å; R472-V480 HydrophobicContact CB-CB 4.09Å; R472-V480 HydrophobicContact CB-CG1 4.45Å; R472-V480 WeakPolarHBondContact CB-O 3.39Å; R472-V480 PolarHBondContact N-O 3.06Å; R472-V482 HydrophobicContact CB-CG1 3.92Å; R472-V482 HydrophobicContact CB-CG2 3.94Å; R472-V482 HydrophobicContact CG-CG1 4.12Å; R472-V482 HydrophobicContact CG-CG2 4.32Å; R472-I490 HydrophobicContact CG-CD1 3.38Å; R472-N536 PolarHBondContact NH1-OD1 2.99Å; R472-N536 PolarHBondContact NH2-OD1 3.48Å | ||
| 473 | A | 95.5 | Very high | 94.1 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 17% | 0.174 | 18% | 0.178 | C | C | . | . | trans | 53 | 47.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F240 W471 D475 D478 | F240-A473 HydrophobicContact CE1-CB 3.77Å; F240-A473 HydrophobicContact CZ-CB 3.62Å; W471-A473 VanDerWaalsContact C-N 3.3Å; W471-A473 HydrophobicContact CB-CB 4.33Å; A473-D475 PolarHBondContact O-N 3.07Å; A473-D478 WeakPolarHBondContact CA-O 3.47Å; A473-D478 PolarHBondContact N-O 3.3Å; A473-D478 VanDerWaalsContact N-O 3.09Å; A473-D478 PolarHBondContact N-OD2 2.76Å | ||
| 474 | I | 94.5 | Very high | 94.5 | Very high | 31 Ų | 31 | 38 Ų | 38 | 16% | 0.159 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -57.8 | -40.3 | 166.3 | -71.1 | 166.8 | 0 | 0 | 0 | 109.5 | R472 D478 I490 A516 F517 | R472-I474 VanDerWaalsContact C-N 3.31Å; R472-I474 HydrophobicContact CG-CD1 4.31Å; R472-I474 HydrophobicContact CG-CG1 4.11Å; R472-I474 PolarHBondContact O-N 3.35Å; I474-D478 HydrophobicContact CB-CB 4.34Å; I474-D478 WeakPolarHBondContact CB-OD2 3.4Å; I474-D478 WeakPolarHBondContact CG1-OD2 3.39Å; I474-D478 PolarHBondContact N-OD2 3.07Å; I474-I490 HydrophobicContact CG1-CG2 4.01Å; I474-A516 HydrophobicContact CD1-CB 3.59Å; I474-F517 HydrophobicContact CB-CE1 3.95Å; I474-F517 HydrophobicContact CB-CZ 4.06Å; I474-F517 HydrophobicContact CD1-CE1 4.08Å; I474-F517 HydrophobicContact CG2-CE1 3.97Å; I474-F517 HydrophobicContact CG2-CZ 3.6Å |
| 475 | D | 93.8 | Very high | 94.9 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 22% | 0.219 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -140.9 | 177.4 | 167.4 | 70.7 | 26.1 | 0 | 0 | 0 | 109.9 | R30 F240 A473 Y477 D478 F517 | R30-D475 IonicContact CZ-OD1 2.72Å; R30-D475 IonicContact CZ-OD2 3.65Å; R30-D475 IonicContact NH1-OD1 3.92Å; R30-D475 PolarHBondContact NH1-OD1 3.04Å; R30-D475 IonicContact NH1-OD2 2.8Å; R30-D475 PolarHBondContact NH1-OD2 3.21Å; R30-D475 IonicContact NH2-OD2 3.53Å; R30-D475 PolarHBondContact NH2-OD2 3.02Å; F240-D475 WeakPolarHBondContact CE1-O 3.36Å; A473-D475 PolarHBondContact O-N 3.07Å; D475-Y477 PolarHBondContact O-N 2.62Å; D475-Y477 VanDerWaalsContact O-N 3.16Å; D475-Y477 WeakPolarHBondContact OD1-CA 3.4Å; D475-Y477 PolarHBondContact OD1-N 3.42Å; D475-D478 PolarHBondContact O-N 2.91Å; D475-D478 VanDerWaalsContact O-N 3.11Å; D475-D478 PolarHBondContact OD1-N 3.37Å; D475-F517 WeakPolarHBondContact OD2-CZ 3.3Å |
| 476 | P | 95.4 | Very high | 95.1 | Very high | 42 Ų | 42 | 44.2 Ų | 44.2 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15 | -178.9 | -28.5 | 38.4 | 0 | 0 | 0 | 116.8 | P239 F240 D241 | P239-P476 CarbonylContact C-O 3.57Å; P239-P476 VanDerWaalsContact CA-O 3.3Å; P239-P476 WeakPolarHBondContact CA-O 3.42Å; P239-P476 HydrophobicContact CB-CB 3.57Å; F240-P476 WeakPolarHBondContact CD1-O 3.48Å; F240-P476 VanDerWaalsContact CE1-CA 3.49Å; F240-P476 WeakPolarHBondContact CE1-O 2.96Å; F240-P476 PolarHBondContact N-O 2.86Å; D241-P476 WeakPolarHBondContact OD1-CB 3.4Å |
| 477 | Y | 95.2 | Very high | 95.4 | Very high | 36 Ų | 36 | 44 Ų | 44 | 14% | 0.141 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -0.7 | 176.9 | -65.2 | -91.1 | 0 | 0 | 0 | 112.4 | M79 G236 W237 P239 H265 D475 Y479 | M79-Y477 HydrophobicContact CE-CD2 4.12Å; M79-Y477 HydrophobicContact CE-CE2 4.41Å; M79-Y477 HydrophobicContact CE-CG 4.23Å; M79-Y477 HydrophobicContact CG-CD1 3.85Å; M79-Y477 HydrophobicContact CG-CE1 4.38Å; M79-Y477 HydrophobicContact CG-CG 4.12Å; M79-Y477 VanDerWaalsContact SD-CB 3.59Å; M79-Y477 HydrophobicContact SD-CD1 4.08Å; M79-Y477 HydrophobicContact SD-CD2 4.15Å; M79-Y477 HydrophobicContact SD-CG 3.7Å; G236-Y477 WeakPolarHBondContact O-CD1 3.39Å; W237-Y477 WeakPolarHBondContact O-CE1 3.39Å; P239-Y477 HydrophobicContact CB-CD1 4.36Å; P239-Y477 HydrophobicContact CB-CD2 4.15Å; P239-Y477 HydrophobicContact CB-CE1 4.01Å; P239-Y477 HydrophobicContact CB-CE2 3.76Å; P239-Y477 HydrophobicContact CB-CG 4.43Å; P239-Y477 HydrophobicContact CG-CE1 4.18Å; P239-Y477 HydrophobicContact CG-CE2 4.28Å; H265-Y477 WeakPolarHBondContact CB-OH 3.03Å; H265-Y477 AromaticContact ND1-CE1 3.99Å; H265-Y477 AromaticContact ND1-CZ 3.83Å; H265-Y477 PolarHBondContact ND1-OH 2.56Å; D475-Y477 PolarHBondContact O-N 2.62Å; D475-Y477 VanDerWaalsContact O-N 3.16Å; D475-Y477 WeakPolarHBondContact OD1-CA 3.4Å; D475-Y477 PolarHBondContact OD1-N 3.42Å; Y477-Y479 WeakPolarHBondContact O-CD2 3.41Å; Y477-Y479 PolarHBondContact O-N 3.49Å |
| 478 | D | 95.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | trans | -91.4 | 85.4 | -177.7 | -178.5 | 32 | 0 | 0 | 0 | 112.7 | R472 A473 I474 D475 V480 F517 | R472-D478 WeakPolarHBondContact CB-OD2 3.26Å; R472-D478 WeakPolarHBondContact CG-OD2 3.39Å; R472-D478 IonicContact CZ-OD1 3.89Å; R472-D478 IonicContact CZ-OD2 3.17Å; R472-D478 IonicContact NE-OD1 2.73Å; R472-D478 PolarHBondContact NE-OD1 3.08Å; R472-D478 IonicContact NE-OD2 3.42Å; R472-D478 PolarHBondContact NE-OD2 3.04Å; R472-D478 IonicContact NH2-OD1 3.38Å; R472-D478 PolarHBondContact NH2-OD1 3.43Å; R472-D478 IonicContact NH2-OD2 2.65Å; A473-D478 WeakPolarHBondContact CA-O 3.47Å; A473-D478 PolarHBondContact N-O 3.3Å; A473-D478 VanDerWaalsContact N-O 3.09Å; A473-D478 PolarHBondContact N-OD2 2.76Å; I474-D478 HydrophobicContact CB-CB 4.34Å; I474-D478 WeakPolarHBondContact CB-OD2 3.4Å; I474-D478 WeakPolarHBondContact CG1-OD2 3.39Å; I474-D478 PolarHBondContact N-OD2 3.07Å; D475-D478 PolarHBondContact O-N 2.91Å; D475-D478 VanDerWaalsContact O-N 3.11Å; D475-D478 PolarHBondContact OD1-N 3.37Å; D478-V480 VanDerWaalsContact C-N 3.28Å; D478-V480 PolarHBondContact O-N 2.68Å; D478-V480 WeakPolarHBondContact OD1-CB 3.4Å; D478-V480 WeakPolarHBondContact OD1-CG2 3.04Å; D478-V480 PolarHBondContact OD1-N 3.02Å; D478-F517 HydrophobicContact CB-CE1 4.05Å | ||
| 479 | Y | 94.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | trans | -86.1 | 14.2 | 176.3 | -60.1 | -107.1 | 0 | 0 | 0 | 114.1 | P28 L238 F240 I243 N463 W471 Y477 C481 | P28-Y479 HydrophobicContact CG-CD2 3.98Å; P28-Y479 HydrophobicContact CG-CG 4.03Å; L238-Y479 VanDerWaalsContact O-CE2 3.31Å; L238-Y479 WeakPolarHBondContact O-CE2 3.33Å; L238-Y479 PolarHBondContact O-OH 3.38Å; F240-Y479 WeakPolarHBondContact CA-OH 3.46Å; F240-Y479 HydrophobicContact CB-CE1 3.72Å; F240-Y479 HydrophobicContact CB-CE2 4.46Å; F240-Y479 WeakPolarHBondContact CB-OH 3.43Å; F240-Y479 PolarHBondContact N-OH 2.94Å; I243-Y479 VanDerWaalsContact CD1-OH 3.29Å; I243-Y479 WeakPolarHBondContact CD1-OH 3.42Å; N463-Y479 HydrophobicContact CB-CD1 3.19Å; N463-Y479 HydrophobicContact CB-CE1 3.79Å; N463-Y479 HydrophobicContact CB-CG 3.71Å; W471-Y479 AromaticContact CD2-CD1 3.97Å; W471-Y479 HydrophobicContact CD2-CD1 3.97Å; W471-Y479 AromaticContact CE2-CD1 3.4Å; W471-Y479 VanDerWaalsContact CE2-CD1 3.4Å; W471-Y479 AromaticContact CE2-CE1 3.96Å; W471-Y479 HydrophobicContact CG-CD1 4.37Å; W471-Y479 HydrophobicContact CH2-CD1 4.27Å; W471-Y479 AromaticContact CH2-CE1 3.98Å; W471-Y479 HydrophobicContact CH2-CE1 3.98Å; W471-Y479 AromaticContact CZ2-CD1 3.58Å; W471-Y479 HydrophobicContact CZ2-CD1 3.58Å; W471-Y479 AromaticContact CZ2-CE1 3.66Å; W471-Y479 HydrophobicContact CZ2-CE1 3.66Å; W471-Y479 AromaticContact NE1-CD1 3.49Å; Y477-Y479 WeakPolarHBondContact O-CD2 3.41Å; Y477-Y479 PolarHBondContact O-N 3.49Å; Y479-C481 PolarHBondContact O-N 3.18Å; Y479-C481 VanDerWaalsContact O-N 3.14Å | ||
| 480 | V | 94.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.024 | 17% | 0.171 | C | C | . | . | trans | -59.2 | 122.7 | 177.2 | 171.6 | 0 | 0 | 0 | 0 | 110 | A26 W471 R472 D478 V482 D535 N539 | A26-V480 HydrophobicContact CB-CG2 4.08Å; W471-V480 CarbonylContact C-O 3.54Å; R472-V480 WeakPolarHBondContact CA-O 3.23Å; R472-V480 HydrophobicContact CB-CB 4.09Å; R472-V480 HydrophobicContact CB-CG1 4.45Å; R472-V480 WeakPolarHBondContact CB-O 3.39Å; R472-V480 PolarHBondContact N-O 3.06Å; D478-V480 VanDerWaalsContact C-N 3.28Å; D478-V480 PolarHBondContact O-N 2.68Å; D478-V480 WeakPolarHBondContact OD1-CB 3.4Å; D478-V480 WeakPolarHBondContact OD1-CG2 3.04Å; D478-V480 PolarHBondContact OD1-N 3.02Å; V480-V482 HydrophobicContact CG1-CG1 4.23Å; V480-D535 HydrophobicContact CG1-CB 4.09Å; V480-D535 WeakPolarHBondContact CG1-O 3.4Å; V480-N539 HydrophobicContact CG1-CB 4.22Å | ||
| 481 | C | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 123.8 | -178.6 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | C465 V470 Y479 N539 R542 | C465-C481 WeakPolarHBondContact CA-SG 3.27Å; C465-C481 HydrophobicContact CB-CB 3.85Å; C465-C481 WeakPolarHBondContact CB-SG 3.33Å; C465-C481 VanDerWaalsContact SG-CA 3.56Å; C465-C481 WeakPolarHBondContact SG-CB 3.37Å; C465-C481 CovalentContact SG-SG 2.03Å; C465-C481 PolarHBondContact SG-SG 3.3Å; V470-C481 WeakPolarHBondContact O-CA 3.3Å; Y479-C481 PolarHBondContact O-N 3.18Å; Y479-C481 VanDerWaalsContact O-N 3.14Å; C481-N539 WeakPolarHBondContact CA-OD1 3.41Å; C481-N539 VanDerWaalsContact CB-OD1 3.26Å; C481-N539 WeakPolarHBondContact CB-OD1 3.27Å; C481-N539 PolarHBondContact N-OD1 3.14Å; C481-R542 HydrophobicContact CB-CB 3.52Å; C481-R542 WeakPolarHBondContact O-CD 3.47Å; C481-R542 PolarHBondContact O-NH1 2.89Å |
| 482 | V | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 167 | 177.9 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | Y469 V470 R472 V480 R486 R487 D535 | Y469-V482 CarbonylContact C-O 3.4Å; Y469-V482 VanDerWaalsContact CA-O 3.29Å; Y469-V482 WeakPolarHBondContact CA-O 3.45Å; V470-V482 PolarHBondContact N-O 3.17Å; V470-V482 PolarHBondContact O-N 3.13Å; R472-V482 HydrophobicContact CB-CG1 3.92Å; R472-V482 HydrophobicContact CB-CG2 3.94Å; R472-V482 HydrophobicContact CG-CG1 4.12Å; R472-V482 HydrophobicContact CG-CG2 4.32Å; V480-V482 HydrophobicContact CG1-CG1 4.23Å; V482-R486 HydrophobicContact CB-CB 4.06Å; V482-R486 HydrophobicContact CB-CG 4Å; V482-R486 HydrophobicContact CG1-CG 4.22Å; V482-R486 HydrophobicContact CG2-CB 4.41Å; V482-R486 HydrophobicContact CG2-CG 4.47Å; V482-R487 HydrophobicContact CG2-CB 4.09Å; V482-D535 HydrophobicContact CG1-CB 3.94Å |
| 483 | T | 97.4 | Very high | 96 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 34% | 0.337 | 21% | 0.213 | S | C | . | . | trans | -70.9 | 153.1 | 173.5 | 67.1 | 0 | 0 | 0 | 0 | 110.2 | Y469 K485 R486 R487 | Y469-T483 HydrophobicContact CD1-CG2 4.36Å; Y469-T483 HydrophobicContact CE1-CG2 3.96Å; T483-K485 PolarHBondContact O-N 2.99Å; T483-K485 VanDerWaalsContact O-N 3.13Å; T483-R486 PolarHBondContact O-N 2.86Å; T483-R486 PolarHBondContact OG1-N 2.85Å; T483-R486 VanDerWaalsContact OG1-N 3.17Å; T483-R487 PolarHBondContact O-N 2.73Å | ||
| 484 | P | 97.4 | Very high | 96 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 37% | 0.37 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -55.6 | -31 | 174 | -28.3 | 34.4 | 0 | 0 | 0 | 113.7 | G468 V470 R488 | G468-P484 VanDerWaalsContact O-CD 3.22Å; G468-P484 WeakPolarHBondContact O-CD 3.44Å; V470-P484 HydrophobicContact CG1-CG 4.25Å; V470-P484 HydrophobicContact CG2-CG 4.43Å; P484-R488 PolarHBondContact O-N 3.21Å; P484-R488 PolarHBondContact O-NH1 3.22Å |
| 485 | K | 97.9 | Very high | 96 | Very high | 135 Ų | 135 | 50.3 Ų | 50.3 | 59% | 0.587 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.4 | -50 | 173.1 | -177.9 | -175.9 | 173.7 | -175 | 0 | 110.9 | T483 R487 R488 E489 | T483-K485 PolarHBondContact O-N 2.99Å; T483-K485 VanDerWaalsContact O-N 3.13Å; K485-R487 VanDerWaalsContact C-N 3.33Å; K485-R487 PolarHBondContact O-N 2.99Å; K485-R488 PolarHBondContact O-N 3.32Å; K485-R488 VanDerWaalsContact O-N 3.14Å; K485-E489 WeakPolarHBondContact CE-OE1 3.17Å; K485-E489 PolarHBondContact O-N 3.35Å |
| 486 | R | 97.6 | Very high | 96 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 179.4 | -178.3 | 63 | -171.7 | 140 | 10.6 | 112.1 | V482 T483 R488 E489 I490 E493 D535 | V482-R486 HydrophobicContact CB-CB 4.06Å; V482-R486 HydrophobicContact CB-CG 4Å; V482-R486 HydrophobicContact CG1-CG 4.22Å; V482-R486 HydrophobicContact CG2-CB 4.41Å; V482-R486 HydrophobicContact CG2-CG 4.47Å; T483-R486 PolarHBondContact O-N 2.86Å; T483-R486 PolarHBondContact OG1-N 2.85Å; T483-R486 VanDerWaalsContact OG1-N 3.17Å; R486-R488 VanDerWaalsContact C-N 3.32Å; R486-R488 PolarHBondContact O-N 2.96Å; R486-E489 IonicContact NH1-OE2 3.63Å; R486-E489 PolarHBondContact NH1-OE2 3.27Å; R486-E489 VanDerWaalsContact NH1-OE2 3.09Å; R486-E489 WeakPolarHBondContact O-CB 3.13Å; R486-E489 PolarHBondContact O-N 3.03Å; R486-I490 HydrophobicContact CG-CD1 4.04Å; R486-I490 WeakPolarHBondContact O-CG1 3.32Å; R486-I490 PolarHBondContact O-N 2.81Å; R486-E493 IonicContact CZ-OE1 2.58Å; R486-E493 IonicContact CZ-OE2 3.03Å; R486-E493 IonicContact NH1-OE1 2.69Å; R486-E493 PolarHBondContact NH1-OE1 2.72Å; R486-E493 IonicContact NH1-OE2 3.01Å; R486-E493 IonicContact NH2-OE1 3.03Å; R486-E493 IonicContact NH2-OE2 2.72Å; R486-E493 PolarHBondContact NH2-OE2 3.01Å; R486-E493 VanDerWaalsContact NH2-OE2 3.07Å; R486-D535 WeakPolarHBondContact CG-OD2 3.46Å; R486-D535 IonicContact NE-OD2 3.69Å; R486-D535 PolarHBondContact NE-OD2 2.99Å |
| 487 | R | 97.6 | Very high | 95.8 | Very high | 82 Ų | 82 | 51.4 Ų | 51.4 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.7 | -42.5 | 173.3 | -170.9 | 176.8 | -177.6 | 169.9 | -4.4 | 112.2 | V470 W471 V482 T483 K485 I490 L491 | V470-R487 HydrophobicContact CG2-CB 4.07Å; W471-R487 VanDerWaalsContact O-CD 3.3Å; W471-R487 WeakPolarHBondContact O-CD 2.97Å; W471-R487 PolarHBondContact O-NE 3.1Å; W471-R487 PolarHBondContact O-NH1 3.45Å; V482-R487 HydrophobicContact CG2-CB 4.09Å; T483-R487 PolarHBondContact O-N 2.73Å; K485-R487 VanDerWaalsContact C-N 3.33Å; K485-R487 PolarHBondContact O-N 2.99Å; R487-I490 PolarHBondContact O-N 3.23Å; R487-L491 WeakPolarHBondContact O-CG 3.43Å; R487-L491 PolarHBondContact O-N 3.37Å |
| 488 | R | 97.2 | Very high | 95.4 | Very high | 143 Ų | 143 | 56.6 Ų | 56.6 | 54% | 0.54 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 175.2 | -69.4 | -171.4 | -61.2 | -88.9 | 4.6 | 112.9 | P484 K485 R486 I490 L491 M492 | P484-R488 PolarHBondContact O-N 3.21Å; P484-R488 PolarHBondContact O-NH1 3.22Å; K485-R488 PolarHBondContact O-N 3.32Å; K485-R488 VanDerWaalsContact O-N 3.14Å; R486-R488 VanDerWaalsContact C-N 3.32Å; R486-R488 PolarHBondContact O-N 2.96Å; R488-I490 VanDerWaalsContact C-N 3.25Å; R488-I490 PolarHBondContact O-N 2.85Å; R488-L491 PolarHBondContact O-N 3.49Å; R488-M492 WeakPolarHBondContact O-CG 3.22Å; R488-M492 PolarHBondContact O-N 3.42Å; R488-M492 VanDerWaalsContact O-N 3.16Å |
| 489 | E | 97.2 | Very high | 95.4 | Very high | 49 Ų | 49 | 62.5 Ų | 62.5 | 23% | 0.229 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.4 | -40.3 | 173.9 | -67.3 | 174.5 | -165.8 | 0 | 0 | 111.3 | K485 R486 M492 E493 K531 | K485-E489 WeakPolarHBondContact CE-OE1 3.17Å; K485-E489 PolarHBondContact O-N 3.35Å; R486-E489 IonicContact NH1-OE2 3.63Å; R486-E489 PolarHBondContact NH1-OE2 3.27Å; R486-E489 VanDerWaalsContact NH1-OE2 3.09Å; R486-E489 WeakPolarHBondContact O-CB 3.13Å; R486-E489 PolarHBondContact O-N 3.03Å; E489-M492 PolarHBondContact O-N 2.86Å; E489-E493 WeakPolarHBondContact O-CB 3.29Å; E489-E493 VanDerWaalsContact O-CG 3.24Å; E489-E493 WeakPolarHBondContact O-CG 3.42Å; E489-E493 PolarHBondContact O-N 3.1Å; E489-K531 IonicContact OE2-NZ 3.23Å; E489-K531 PolarHBondContact OE2-NZ 3.04Å; E489-K531 VanDerWaalsContact OE2-NZ 3.14Å |
| 490 | I | 96.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.1 | -36.7 | -179.9 | -70.5 | 167.5 | 0 | 0 | 0 | 112.1 | R472 I474 R486 R487 R488 E493 N494 | R472-I490 HydrophobicContact CG-CD1 3.38Å; I474-I490 HydrophobicContact CG1-CG2 4.01Å; R486-I490 HydrophobicContact CG-CD1 4.04Å; R486-I490 WeakPolarHBondContact O-CG1 3.32Å; R486-I490 PolarHBondContact O-N 2.81Å; R487-I490 PolarHBondContact O-N 3.23Å; R488-I490 VanDerWaalsContact C-N 3.25Å; R488-I490 PolarHBondContact O-N 2.85Å; I490-E493 WeakPolarHBondContact O-CB 3.22Å; I490-E493 PolarHBondContact O-N 2.65Å; I490-N494 VanDerWaalsContact O-CG 3.3Å; I490-N494 PolarHBondContact O-N 2.58Å; I490-N494 PolarHBondContact O-OD1 2.79Å |
| 491 | L | 95.8 | Very high | 95.6 | Very high | 91 Ų | 91 | 64.9 Ų | 64.9 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 173.7 | -67.1 | 172.6 | 0 | 0 | 0 | 111.2 | R487 R488 E493 N494 E495 | R487-L491 WeakPolarHBondContact O-CG 3.43Å; R487-L491 PolarHBondContact O-N 3.37Å; R488-L491 PolarHBondContact O-N 3.49Å; L491-E493 VanDerWaalsContact C-N 3.29Å; L491-E493 PolarHBondContact O-N 3.03Å; L491-N494 PolarHBondContact O-N 3.03Å; L491-E495 WeakPolarHBondContact O-CG 3.19Å; L491-E495 PolarHBondContact O-N 3.37Å |
| 492 | M | 95.5 | Very high | 95.6 | Very high | 104 Ų | 104 | 67.6 Ų | 67.6 | 51% | 0.512 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -36.9 | 175 | -64.6 | 171.7 | 176.6 | 0 | 0 | 112 | R488 E489 E495 M496 | R488-M492 WeakPolarHBondContact O-CG 3.22Å; R488-M492 PolarHBondContact O-N 3.42Å; R488-M492 VanDerWaalsContact O-N 3.16Å; E489-M492 PolarHBondContact O-N 2.86Å; M492-E495 PolarHBondContact O-N 2.85Å; M492-M496 VanDerWaalsContact O-CG 3.28Å; M492-M496 WeakPolarHBondContact O-CG 3.3Å; M492-M496 PolarHBondContact O-N 3.47Å |
| 493 | E | 95.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 76.1 Ų | 76.1 | 2% | 0.019 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 173.9 | -83.6 | 169 | -168.4 | 0 | 0 | 112.1 | R486 E489 I490 L491 M496 A497 L524 Q528 | R486-E493 IonicContact CZ-OE1 2.58Å; R486-E493 IonicContact CZ-OE2 3.03Å; R486-E493 IonicContact NH1-OE1 2.69Å; R486-E493 PolarHBondContact NH1-OE1 2.72Å; R486-E493 IonicContact NH1-OE2 3.01Å; R486-E493 IonicContact NH2-OE1 3.03Å; R486-E493 IonicContact NH2-OE2 2.72Å; R486-E493 PolarHBondContact NH2-OE2 3.01Å; R486-E493 VanDerWaalsContact NH2-OE2 3.07Å; E489-E493 WeakPolarHBondContact O-CB 3.29Å; E489-E493 VanDerWaalsContact O-CG 3.24Å; E489-E493 WeakPolarHBondContact O-CG 3.42Å; E489-E493 PolarHBondContact O-N 3.1Å; I490-E493 WeakPolarHBondContact O-CB 3.22Å; I490-E493 PolarHBondContact O-N 2.65Å; L491-E493 VanDerWaalsContact C-N 3.29Å; L491-E493 PolarHBondContact O-N 3.03Å; E493-M496 PolarHBondContact O-N 3.1Å; E493-A497 PolarHBondContact O-N 3.11Å; E493-L524 HydrophobicContact CB-CD1 4.36Å; E493-L524 HydrophobicContact CB-CD2 3.6Å; E493-L524 HydrophobicContact CG-CD1 4.3Å; E493-L524 HydrophobicContact CG-CD2 3.84Å; E493-Q528 PolarHBondContact OE1-NE2 2.99Å |
| 494 | N | 94.7 | Very high | 95.2 | Very high | 51 Ų | 51 | 80.5 Ų | 80.5 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 176.8 | -68.2 | -8.5 | 0 | 0 | 0 | 111.7 | I490 L491 M496 A497 R514 | I490-N494 VanDerWaalsContact O-CG 3.3Å; I490-N494 PolarHBondContact O-N 2.58Å; I490-N494 PolarHBondContact O-OD1 2.79Å; L491-N494 PolarHBondContact O-N 3.03Å; N494-M496 VanDerWaalsContact C-N 3.32Å; N494-M496 PolarHBondContact O-N 3.22Å; N494-A497 WeakPolarHBondContact O-CB 3.4Å; N494-A497 PolarHBondContact O-N 3.17Å; N494-A497 VanDerWaalsContact O-N 3.16Å; N494-R514 PolarHBondContact OD1-NH1 2.05Å; N494-R514 PolarHBondContact OD1-NH2 3.14Å |
| 495 | E | 93.8 | Very high | 95 | Very high | 141 Ų | 141 | 79.5 Ų | 79.5 | 66% | 0.659 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.5 | -40.8 | 176.9 | -71.7 | 170.6 | -177.4 | 0 | 0 | 112 | L491 M492 A497 | L491-E495 WeakPolarHBondContact O-CG 3.19Å; L491-E495 PolarHBondContact O-N 3.37Å; M492-E495 PolarHBondContact O-N 2.85Å; E495-A497 VanDerWaalsContact C-N 3.25Å; E495-A497 PolarHBondContact O-N 2.59Å |
| 496 | M | 93.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 77.2 Ų | 77.2 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -73.4 | -15.6 | 178.3 | -68.3 | -178.9 | -169.4 | 0 | 0 | 113.5 | M492 E493 N494 L498 N499 R500 | M492-M496 VanDerWaalsContact O-CG 3.28Å; M492-M496 WeakPolarHBondContact O-CG 3.3Å; M492-M496 PolarHBondContact O-N 3.47Å; E493-M496 PolarHBondContact O-N 3.1Å; N494-M496 VanDerWaalsContact C-N 3.32Å; N494-M496 PolarHBondContact O-N 3.22Å; M496-L498 VanDerWaalsContact C-N 3.28Å; M496-L498 PolarHBondContact O-N 3Å; M496-N499 PolarHBondContact O-N 3.41Å; M496-R500 WeakPolarHBondContact O-CG 3.3Å; M496-R500 PolarHBondContact SD-NH2 3.5Å |
| 497 | A | 92.2 | Very high | 94.9 | Very high | 11 Ų | 11 | 77.9 Ų | 77.9 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.6 | -35.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E493 N494 E495 N499 R500 T501 V522 | E493-A497 PolarHBondContact O-N 3.11Å; N494-A497 WeakPolarHBondContact O-CB 3.4Å; N494-A497 PolarHBondContact O-N 3.17Å; N494-A497 VanDerWaalsContact O-N 3.16Å; E495-A497 VanDerWaalsContact C-N 3.25Å; E495-A497 PolarHBondContact O-N 2.59Å; A497-N499 PolarHBondContact O-N 3.37Å; A497-N499 VanDerWaalsContact O-N 3.14Å; A497-R500 CarbonylContact O-C 3.54Å; A497-R500 WeakPolarHBondContact O-CA 3.46Å; A497-R500 WeakPolarHBondContact O-CB 3.43Å; A497-R500 PolarHBondContact O-N 3.44Å; A497-T501 PolarHBondContact O-N 2.78Å; A497-T501 PolarHBondContact O-OG1 3.49Å; A497-V522 HydrophobicContact CB-CG1 3.73Å |
| 498 | L | 87.7 | Confident | 94.8 | Very high | 145 Ų | 145 | 78.1 Ų | 78.1 | 76% | 0.759 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -55 | -35.1 | 177.5 | -65.4 | 174.1 | 0 | 0 | 0 | 112.7 | M496 R500 | M496-L498 VanDerWaalsContact C-N 3.28Å; M496-L498 PolarHBondContact O-N 3Å; L498-R500 VanDerWaalsContact C-N 3.33Å |
| 499 | N | 94.7 | Very high | 94.7 | Very high | 129 Ų | 129 | 79.4 Ų | 79.4 | 69% | 0.69 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -82.9 | -12.1 | 178.4 | -69.7 | -26.6 | 0 | 0 | 0 | 113.2 | M496 A497 K508 | M496-N499 PolarHBondContact O-N 3.41Å; A497-N499 PolarHBondContact O-N 3.37Å; A497-N499 VanDerWaalsContact O-N 3.14Å; N499-K508 WeakPolarHBondContact O-CD 3.15Å; N499-K508 PolarHBondContact O-NZ 3.2Å |
| 500 | R | 96.5 | Very high | 94.6 | Very high | 19 Ų | 19 | 80.3 Ų | 80.3 | 7% | 0.072 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -104.7 | -14.3 | -174.5 | -60.8 | 171.4 | -179.3 | -172.4 | -1.2 | 113.1 | M496 A497 L498 K508 F511 C523 | M496-R500 WeakPolarHBondContact O-CG 3.3Å; M496-R500 PolarHBondContact SD-NH2 3.5Å; A497-R500 CarbonylContact O-C 3.54Å; A497-R500 WeakPolarHBondContact O-CA 3.46Å; A497-R500 WeakPolarHBondContact O-CB 3.43Å; A497-R500 PolarHBondContact O-N 3.44Å; L498-R500 VanDerWaalsContact C-N 3.33Å; R500-K508 WeakPolarHBondContact O-CB 3.01Å; R500-K508 WeakPolarHBondContact O-CG 3.03Å; R500-K508 PolarHBondContact O-N 3.38Å; R500-F511 HydrophobicContact CB-CB 4.47Å; R500-F511 HydrophobicContact CB-CD1 4.09Å; R500-F511 HydrophobicContact CB-CD2 4.05Å; R500-F511 HydrophobicContact CB-CE1 4.35Å; R500-F511 HydrophobicContact CB-CE2 4.32Å; R500-F511 HydrophobicContact CB-CG 3.93Å; R500-F511 HydrophobicContact CB-CZ 4.46Å; R500-F511 VanDerWaalsContact CD-CE1 3.49Å; R500-F511 HydrophobicContact CG-CD1 3.77Å; R500-F511 HydrophobicContact CG-CD2 4.16Å; R500-F511 HydrophobicContact CG-CE1 3.57Å; R500-F511 HydrophobicContact CG-CE2 3.99Å; R500-F511 HydrophobicContact CG-CG 4.06Å; R500-F511 HydrophobicContact CG-CZ 3.69Å; R500-C523 HydrophobicContact CB-CB 3.86Å; R500-C523 WeakPolarHBondContact CD-O 3.22Å |
| 501 | T | 96.5 | Very high | 94.7 | Very high | 36 Ų | 36 | 82.8 Ų | 82.8 | 22% | 0.221 | 44% | 0.443 | C | S | . | . | B | Isolated β-bridge | trans | -94.5 | 139.5 | 174.3 | -55.3 | 0 | 0 | 0 | 0 | 109.7 | A497 G505 D506 K508 | A497-T501 PolarHBondContact O-N 2.78Å; A497-T501 PolarHBondContact O-OG1 3.49Å; T501-G505 VanDerWaalsContact CG2-C 3.42Å; T501-G505 VanDerWaalsContact CG2-CA 3.44Å; T501-D506 CarbonylContact C-O 3.57Å; T501-D506 VanDerWaalsContact CA-O 3.29Å; T501-D506 WeakPolarHBondContact CA-O 3.36Å; T501-K508 WeakPolarHBondContact O-CE 3.34Å; T501-K508 PolarHBondContact O-NZ 3.39Å |
| 502 | D | 95.1 | Very high | 94.7 | Very high | 56 Ų | 56 | 80 Ų | 80 | 30% | 0.299 | 43% | 0.43 | S | S | . | . | trans | -84.8 | -174.8 | 173.1 | 66.8 | 26 | 0 | 0 | 0 | 112.2 | H504 G505 D506 K508 | D502-H504 PolarHBondContact O-N 3.43Å; D502-H504 WeakPolarHBondContact OD1-CA 3.34Å; D502-H504 PolarHBondContact OD1-N 3.25Å; D502-G505 PolarHBondContact O-N 2.78Å; D502-G505 PolarHBondContact OD1-N 2.79Å; D502-G505 VanDerWaalsContact OD1-N 3.16Å; D502-D506 PolarHBondContact N-O 2.75Å; D502-D506 PolarHBondContact OD1-N 2.92Å; D502-D506 WeakPolarHBondContact OD2-CB 3.36Å; D502-K508 HydrophobicContact CB-CG 4.15Å | ||
| 503 | E | 93 | Very high | 94.7 | Very high | 180 Ų | 180 | 77.4 Ų | 77.4 | 84% | 0.841 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -17.8 | -178.7 | 67.1 | -169.2 | 167.4 | 0 | 0 | 114.1 | ||
| 504 | H | 93.9 | Very high | 94.7 | Very high | 146 Ų | 146 | 77.2 Ų | 77.2 | 68% | 0.676 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -6.4 | 179.4 | -58.6 | 95.7 | 0 | 0 | 0 | 112.8 | D502 | D502-H504 PolarHBondContact O-N 3.43Å; D502-H504 WeakPolarHBondContact OD1-CA 3.34Å; D502-H504 PolarHBondContact OD1-N 3.25Å |
| 505 | G | 92 | Very high | 94.6 | Very high | 37 Ų | 37 | 76.7 Ų | 76.7 | 38% | 0.381 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 90.6 | 5.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T501 D502 | T501-G505 VanDerWaalsContact CG2-C 3.42Å; T501-G505 VanDerWaalsContact CG2-CA 3.44Å; D502-G505 PolarHBondContact O-N 2.78Å; D502-G505 PolarHBondContact OD1-N 2.79Å; D502-G505 VanDerWaalsContact OD1-N 3.16Å |
| 506 | D | 95.9 | Very high | 94.5 | Very high | 87 Ų | 87 | 70.1 Ų | 70.1 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 160.3 | 179.7 | -76.5 | -46.8 | 0 | 0 | 0 | 112 | T501 D502 K508 | T501-D506 CarbonylContact C-O 3.57Å; T501-D506 VanDerWaalsContact CA-O 3.29Å; T501-D506 WeakPolarHBondContact CA-O 3.36Å; D502-D506 PolarHBondContact N-O 2.75Å; D502-D506 PolarHBondContact OD1-N 2.92Å; D502-D506 WeakPolarHBondContact OD2-CB 3.36Å; D506-K508 PolarHBondContact O-N 3.27Å |
| 507 | C | 97.3 | Very high | 94.4 | Very high | 27 Ų | 27 | 66.1 Ų | 66.1 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -78.6 | 123.7 | 178.1 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | F511 F513 C523 | C507-F511 HydrophobicContact CB-CB 4.1Å; C507-F513 WeakPolarHBondContact SG-CD1 3.34Å; C507-F513 WeakPolarHBondContact SG-CE1 3.39Å; C507-F513 PolarHBondContact SG-N 2.97Å; C507-F513 VanDerWaalsContact SG-N 3.38Å; C507-C523 WeakPolarHBondContact CA-SG 3.48Å; C507-C523 HydrophobicContact CB-CB 3.85Å; C507-C523 WeakPolarHBondContact CB-SG 3.5Å; C507-C523 VanDerWaalsContact SG-CA 3.51Å; C507-C523 WeakPolarHBondContact SG-CB 3.5Å; C507-C523 CovalentContact SG-SG 2.05Å; C507-C523 PolarHBondContact SG-SG 3.38Å |
| 508 | K | 97.4 | Very high | 94.2 | Very high | 87 Ų | 87 | 68.3 Ų | 68.3 | 38% | 0.378 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 154.5 | 171.5 | -67.9 | 175.5 | -177.6 | 160.4 | 0 | 111.1 | N499 R500 T501 D502 D506 G510 F511 | N499-K508 WeakPolarHBondContact O-CD 3.15Å; N499-K508 PolarHBondContact O-NZ 3.2Å; R500-K508 WeakPolarHBondContact O-CB 3.01Å; R500-K508 WeakPolarHBondContact O-CG 3.03Å; R500-K508 PolarHBondContact O-N 3.38Å; T501-K508 WeakPolarHBondContact O-CE 3.34Å; T501-K508 PolarHBondContact O-NZ 3.39Å; D502-K508 HydrophobicContact CB-CG 4.15Å; D506-K508 PolarHBondContact O-N 3.27Å; K508-G510 PolarHBondContact O-N 3.38Å; K508-F511 HydrophobicContact CB-CD2 4.15Å; K508-F511 WeakPolarHBondContact O-CB 2.89Å; K508-F511 PolarHBondContact O-N 3.44Å |
| 509 | N | 95.1 | Very high | 94.3 | Very high | 170 Ų | 170 | 64.4 Ų | 64.4 | 91% | 0.909 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 128.1 | 178 | -76.2 | -26 | 0 | 0 | 0 | 112.5 | ||
| 510 | G | 94.5 | Very high | 94.2 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -10.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K508 | K508-G510 PolarHBondContact O-N 3.38Š|
| 511 | F | 97.6 | Very high | 94.1 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 24% | 0.237 | 36% | 0.362 | C | S | . | . | trans | -108.4 | 159.3 | 174.5 | -57.6 | -78.9 | 0 | 0 | 0 | 111.7 | R500 C507 K508 C523 L524 R525 | R500-F511 HydrophobicContact CB-CB 4.47Å; R500-F511 HydrophobicContact CB-CD1 4.09Å; R500-F511 HydrophobicContact CB-CD2 4.05Å; R500-F511 HydrophobicContact CB-CE1 4.35Å; R500-F511 HydrophobicContact CB-CE2 4.32Å; R500-F511 HydrophobicContact CB-CG 3.93Å; R500-F511 HydrophobicContact CB-CZ 4.46Å; R500-F511 VanDerWaalsContact CD-CE1 3.49Å; R500-F511 HydrophobicContact CG-CD1 3.77Å; R500-F511 HydrophobicContact CG-CD2 4.16Å; R500-F511 HydrophobicContact CG-CE1 3.57Å; R500-F511 HydrophobicContact CG-CE2 3.99Å; R500-F511 HydrophobicContact CG-CG 4.06Å; R500-F511 HydrophobicContact CG-CZ 3.69Å; C507-F511 HydrophobicContact CB-CB 4.1Å; K508-F511 HydrophobicContact CB-CD2 4.15Å; K508-F511 WeakPolarHBondContact O-CB 2.89Å; K508-F511 PolarHBondContact O-N 3.44Å; F511-C523 HydrophobicContact CB-CB 4.36Å; F511-L524 CarbonylContact C-O 3.58Å; F511-L524 VanDerWaalsContact CA-O 3.27Å; F511-L524 WeakPolarHBondContact CA-O 3.43Å; F511-R525 HydrophobicContact CD1-CG 4.14Å; F511-R525 HydrophobicContact CE1-CG 3.89Å | ||
| 512 | V | 96.7 | Very high | 94.1 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 19% | 0.194 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 150.5 | 179.6 | -64.9 | 0 | 0 | 0 | 0 | 109.5 | R514 L524 K526 R529 | V512-R514 PolarHBondContact O-N 2.83Å; V512-L524 PolarHBondContact N-O 3.15Å; V512-L524 PolarHBondContact O-N 2.96Å; V512-K526 HydrophobicContact CG1-CG 3.99Å; V512-K526 HydrophobicContact CG2-CG 4Å; V512-R529 HydrophobicContact CG2-CB 4.13Å |
| 513 | F | 96 | Very high | 94.2 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 22% | 0.219 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 134.6 | 172.3 | -65.5 | -55.8 | 0 | 0 | 0 | 111 | C507 N515 L521 V522 R529 | C507-F513 WeakPolarHBondContact SG-CD1 3.34Å; C507-F513 WeakPolarHBondContact SG-CE1 3.39Å; C507-F513 PolarHBondContact SG-N 2.97Å; C507-F513 VanDerWaalsContact SG-N 3.38Å; F513-N515 VanDerWaalsContact C-N 3.31Å; F513-N515 WeakPolarHBondContact CB-ND2 2.98Å; F513-N515 PolarHBondContact O-N 3.01Å; F513-N515 PolarHBondContact O-ND2 3.42Å; F513-L521 HydrophobicContact CD1-CB 3.89Å; F513-L521 HydrophobicContact CD1-CD2 4.21Å; F513-L521 WeakPolarHBondContact CD1-O 3.41Å; F513-L521 HydrophobicContact CD2-CD2 4.45Å; F513-L521 HydrophobicContact CE1-CB 3.87Å; F513-L521 HydrophobicContact CE1-CD2 4.34Å; F513-L521 WeakPolarHBondContact CE1-O 3.45Å; F513-L521 HydrophobicContact CG-CD2 4.26Å; F513-V522 CarbonylContact C-O 3.57Å; F513-R529 WeakPolarHBondContact O-CD 3.25Å; F513-R529 PolarHBondContact O-NH1 2.93Å |
| 514 | R | 94.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | trans | -58.7 | -42.5 | 177.5 | 179.8 | 173.9 | 51.1 | -151.4 | -2.9 | 111.2 | N494 V512 A516 D520 V522 L524 A532 | N494-R514 PolarHBondContact OD1-NH1 2.05Å; N494-R514 PolarHBondContact OD1-NH2 3.14Å; V512-R514 PolarHBondContact O-N 2.83Å; R514-A516 HydrophobicContact CG-CB 4.22Å; R514-A516 PolarHBondContact O-N 3.42Å; R514-D520 WeakPolarHBondContact CB-OD2 3.46Å; R514-D520 WeakPolarHBondContact CD-OD2 3.4Å; R514-D520 VanDerWaalsContact CG-OD2 3.24Å; R514-D520 WeakPolarHBondContact CG-OD2 3.38Å; R514-D520 IonicContact CZ-OD1 3.86Å; R514-D520 IonicContact CZ-OD2 3.59Å; R514-D520 IonicContact NE-OD1 3.14Å; R514-D520 PolarHBondContact NE-OD1 3.06Å; R514-D520 IonicContact NE-OD2 3.72Å; R514-D520 PolarHBondContact NE-OD2 3.28Å; R514-D520 IonicContact NH2-OD1 2.96Å; R514-D520 PolarHBondContact NH2-OD1 2.89Å; R514-D520 IonicContact NH2-OD2 2.62Å; R514-V522 HydrophobicContact CB-CB 4.4Å; R514-V522 WeakPolarHBondContact CB-O 3.46Å; R514-V522 PolarHBondContact N-O 3.39Å; R514-V522 VanDerWaalsContact NH2-CG2 3.28Å; R514-L524 HydrophobicContact CB-CD1 3.68Å; R514-L524 HydrophobicContact CB-CG 4.14Å; R514-L524 HydrophobicContact CG-CD1 3.73Å; R514-A532 HydrophobicContact CG-CB 3.77Å | ||
| 515 | N | 92.1 | Very high | 94.4 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 21% | 0.214 | 30% | 0.3 | C | S | . | . | trans | 49.8 | 43.1 | 178.8 | -67.7 | -50.4 | 0 | 0 | 0 | 113.1 | V23 F513 F517 D520 R529 | V23-N515 WeakPolarHBondContact CG1-O 3.5Å; V23-N515 HydrophobicContact CG2-CB 4.48Å; F513-N515 VanDerWaalsContact C-N 3.31Å; F513-N515 WeakPolarHBondContact CB-ND2 2.98Å; F513-N515 PolarHBondContact O-N 3.01Å; F513-N515 PolarHBondContact O-ND2 3.42Å; N515-F517 PolarHBondContact O-N 2.95Å; N515-D520 PolarHBondContact N-O 2.9Å; N515-D520 VanDerWaalsContact N-O 3.12Å; N515-D520 PolarHBondContact N-OD2 3.09Å; N515-R529 PolarHBondContact ND2-NH1 3.26Å | ||
| 516 | A | 91.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -63.6 | -26 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V23 I474 R514 D520 A532 N536 | V23-A516 WeakPolarHBondContact CG1-O 3.32Å; I474-A516 HydrophobicContact CD1-CB 3.59Å; R514-A516 HydrophobicContact CG-CB 4.22Å; R514-A516 PolarHBondContact O-N 3.42Å; A516-D520 HydrophobicContact CB-CB 4.47Å; A516-D520 WeakPolarHBondContact CB-OD2 3.18Å; A516-D520 PolarHBondContact N-OD2 3.17Å; A516-A532 HydrophobicContact CB-CB 4.44Å; A516-N536 PolarHBondContact O-ND2 2.85Å |
| 517 | F | 91.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 4% | 0.044 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -158.3 | 165.9 | 173.3 | 43.9 | -106.7 | 0 | 0 | 0 | 108.6 | R30 I474 D475 D478 N515 G519 D520 | R30-F517 HydrophobicContact CG-CB 3.95Å; R30-F517 HydrophobicContact CG-CG 4.49Å; R30-F517 VanDerWaalsContact NE-CD2 3.33Å; R30-F517 VanDerWaalsContact NH1-CZ 3.27Å; R30-F517 VanDerWaalsContact NH2-CD2 3.33Å; I474-F517 HydrophobicContact CB-CE1 3.95Å; I474-F517 HydrophobicContact CB-CZ 4.06Å; I474-F517 HydrophobicContact CD1-CE1 4.08Å; I474-F517 HydrophobicContact CG2-CE1 3.97Å; I474-F517 HydrophobicContact CG2-CZ 3.6Å; D475-F517 WeakPolarHBondContact OD2-CZ 3.3Å; D478-F517 HydrophobicContact CB-CE1 4.05Å; N515-F517 PolarHBondContact O-N 2.95Å; F517-G519 PolarHBondContact O-N 2.78Å; F517-D520 HydrophobicContact CD2-CB 3.78Å; F517-D520 HydrophobicContact CE2-CB 3.67Å; F517-D520 HydrophobicContact CG-CB 4.35Å; F517-D520 HydrophobicContact CZ-CB 4.18Å; F517-D520 WeakPolarHBondContact O-CB 3.5Å; F517-D520 PolarHBondContact O-N 2.69Å |
| 518 | P | 89.3 | Confident | 94.5 | Very high | 57 Ų | 57 | 59.7 Ų | 59.7 | 37% | 0.37 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 128.2 | 174.4 | -25.5 | 35.1 | 0 | 0 | 0 | 111.9 | ||
| 519 | G | 89.2 | Confident | 94.4 | Very high | 64 Ų | 64 | 57.5 Ų | 57.5 | 66% | 0.66 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -5.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | F517 L521 | F517-G519 PolarHBondContact O-N 2.78Å; G519-L521 PolarHBondContact O-N 3.35Å; G519-L521 VanDerWaalsContact O-N 3.09Å |
| 520 | D | 93.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | trans | -80 | 88.2 | 173.3 | 178.1 | 30.9 | 0 | 0 | 0 | 112.1 | R514 N515 A516 F517 | R514-D520 WeakPolarHBondContact CB-OD2 3.46Å; R514-D520 WeakPolarHBondContact CD-OD2 3.4Å; R514-D520 VanDerWaalsContact CG-OD2 3.24Å; R514-D520 WeakPolarHBondContact CG-OD2 3.38Å; R514-D520 IonicContact CZ-OD1 3.86Å; R514-D520 IonicContact CZ-OD2 3.59Å; R514-D520 IonicContact NE-OD1 3.14Å; R514-D520 PolarHBondContact NE-OD1 3.06Å; R514-D520 IonicContact NE-OD2 3.72Å; R514-D520 PolarHBondContact NE-OD2 3.28Å; R514-D520 IonicContact NH2-OD1 2.96Å; R514-D520 PolarHBondContact NH2-OD1 2.89Å; R514-D520 IonicContact NH2-OD2 2.62Å; N515-D520 PolarHBondContact N-O 2.9Å; N515-D520 VanDerWaalsContact N-O 3.12Å; N515-D520 PolarHBondContact N-OD2 3.09Å; A516-D520 HydrophobicContact CB-CB 4.47Å; A516-D520 WeakPolarHBondContact CB-OD2 3.18Å; A516-D520 PolarHBondContact N-OD2 3.17Å; F517-D520 HydrophobicContact CD2-CB 3.78Å; F517-D520 HydrophobicContact CE2-CB 3.67Å; F517-D520 HydrophobicContact CG-CB 4.35Å; F517-D520 HydrophobicContact CZ-CB 4.18Å; F517-D520 WeakPolarHBondContact O-CB 3.5Å; F517-D520 PolarHBondContact O-N 2.69Å | ||
| 521 | L | 93.7 | Very high | 94.3 | Very high | 104 Ų | 104 | 54.5 Ų | 54.5 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | trans | -96 | 25 | -176 | -55.4 | -177.9 | 0 | 0 | 0 | 113.5 | F513 G519 C523 | F513-L521 HydrophobicContact CD1-CB 3.89Å; F513-L521 HydrophobicContact CD1-CD2 4.21Å; F513-L521 WeakPolarHBondContact CD1-O 3.41Å; F513-L521 HydrophobicContact CD2-CD2 4.45Å; F513-L521 HydrophobicContact CE1-CB 3.87Å; F513-L521 HydrophobicContact CE1-CD2 4.34Å; F513-L521 WeakPolarHBondContact CE1-O 3.45Å; F513-L521 HydrophobicContact CG-CD2 4.26Å; G519-L521 PolarHBondContact O-N 3.35Å; G519-L521 VanDerWaalsContact O-N 3.09Å; L521-C523 PolarHBondContact O-N 2.89Å | ||
| 522 | V | 95.6 | Very high | 94.2 | Very high | 31 Ų | 31 | 52 Ų | 52 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | trans | -72.1 | 122.7 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | A497 F513 R514 L524 | A497-V522 HydrophobicContact CB-CG1 3.73Å; F513-V522 CarbonylContact C-O 3.57Å; R514-V522 HydrophobicContact CB-CB 4.4Å; R514-V522 WeakPolarHBondContact CB-O 3.46Å; R514-V522 PolarHBondContact N-O 3.39Å; R514-V522 VanDerWaalsContact NH2-CG2 3.28Å; V522-L524 HydrophobicContact CG1-CD2 3.92Å; V522-L524 HydrophobicContact CG1-CG 4.14Å | ||
| 523 | C | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 118.1 | -178.4 | -68.3 | 0 | 0 | 0 | 0 | 113.1 | R500 C507 F511 L521 | R500-C523 HydrophobicContact CB-CB 3.86Å; R500-C523 WeakPolarHBondContact CD-O 3.22Å; C507-C523 WeakPolarHBondContact CA-SG 3.48Å; C507-C523 HydrophobicContact CB-CB 3.85Å; C507-C523 WeakPolarHBondContact CB-SG 3.5Å; C507-C523 VanDerWaalsContact SG-CA 3.51Å; C507-C523 WeakPolarHBondContact SG-CB 3.5Å; C507-C523 CovalentContact SG-SG 2.05Å; C507-C523 PolarHBondContact SG-SG 3.38Å; F511-C523 HydrophobicContact CB-CB 4.36Å; L521-C523 PolarHBondContact O-N 2.89Å |
| 524 | L | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 171 | -176.8 | -57.9 | -176.6 | 0 | 0 | 0 | 113 | E493 F511 V512 R514 V522 Q528 | E493-L524 HydrophobicContact CB-CD1 4.36Å; E493-L524 HydrophobicContact CB-CD2 3.6Å; E493-L524 HydrophobicContact CG-CD1 4.3Å; E493-L524 HydrophobicContact CG-CD2 3.84Å; F511-L524 CarbonylContact C-O 3.58Å; F511-L524 VanDerWaalsContact CA-O 3.27Å; F511-L524 WeakPolarHBondContact CA-O 3.43Å; V512-L524 PolarHBondContact N-O 3.15Å; V512-L524 PolarHBondContact O-N 2.96Å; R514-L524 HydrophobicContact CB-CD1 3.68Å; R514-L524 HydrophobicContact CB-CG 4.14Å; R514-L524 HydrophobicContact CG-CD1 3.73Å; V522-L524 HydrophobicContact CG1-CD2 3.92Å; V522-L524 HydrophobicContact CG1-CG 4.14Å; L524-Q528 HydrophobicContact CB-CB 3.93Å; L524-Q528 HydrophobicContact CD1-CB 3.98Å |
| 525 | R | 95.8 | Very high | 93.7 | Very high | 146 Ų | 146 | 55.4 Ų | 55.4 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | trans | -70.8 | 152.4 | 167.9 | -63.3 | -177.9 | 179.7 | 173.9 | 0.2 | 110 | F511 E527 Q528 R529 | F511-R525 HydrophobicContact CD1-CG 4.14Å; F511-R525 HydrophobicContact CE1-CG 3.89Å; R525-E527 VanDerWaalsContact C-N 3.26Å; R525-E527 PolarHBondContact O-N 3.3Å; R525-Q528 HydrophobicContact CB-CG 4.25Å; R525-Q528 WeakPolarHBondContact O-CB 3.49Å; R525-Q528 PolarHBondContact O-N 2.88Å; R525-R529 PolarHBondContact O-N 3.31Å | ||
| 526 | K | 95.5 | Very high | 93.8 | Very high | 148 Ų | 148 | 53.7 Ų | 53.7 | 64% | 0.643 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -52 | -42 | 179.2 | -69.5 | -177.3 | 178.9 | 179.6 | 0 | 113.2 | V512 Q528 R529 T530 | V512-K526 HydrophobicContact CG1-CG 3.99Å; V512-K526 HydrophobicContact CG2-CG 4Å; K526-Q528 VanDerWaalsContact C-N 3.27Å; K526-Q528 PolarHBondContact O-N 3.12Å; K526-R529 WeakPolarHBondContact O-CB 3.39Å; K526-R529 PolarHBondContact O-N 3.46Å; K526-T530 PolarHBondContact O-N 3.01Å; K526-T530 VanDerWaalsContact O-N 3.09Å; K526-T530 PolarHBondContact O-OG1 3.29Å |
| 527 | E | 95.5 | Very high | 93.6 | Very high | 151 Ų | 151 | 54.1 Ų | 54.1 | 71% | 0.706 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.8 | -35.1 | 177 | -64.3 | 166.6 | -168.4 | 0 | 0 | 113.3 | R525 T530 K531 | R525-E527 VanDerWaalsContact C-N 3.26Å; R525-E527 PolarHBondContact O-N 3.3Å; E527-T530 PolarHBondContact O-N 3.42Å; E527-K531 PolarHBondContact O-N 3.27Å |
| 528 | Q | 95.6 | Very high | 93.5 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 15% | 0.15 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -75.5 | -35.4 | 179.9 | -57.3 | -179.5 | -72.2 | 0 | 0 | 111.1 | E493 L524 R525 K526 T530 K531 A532 | E493-Q528 PolarHBondContact OE1-NE2 2.99Å; L524-Q528 HydrophobicContact CB-CB 3.93Å; L524-Q528 HydrophobicContact CD1-CB 3.98Å; R525-Q528 HydrophobicContact CB-CG 4.25Å; R525-Q528 WeakPolarHBondContact O-CB 3.49Å; R525-Q528 PolarHBondContact O-N 2.88Å; K526-Q528 VanDerWaalsContact C-N 3.27Å; K526-Q528 PolarHBondContact O-N 3.12Å; Q528-T530 VanDerWaalsContact C-N 3.34Å; Q528-K531 WeakPolarHBondContact O-CB 3.47Å; Q528-K531 PolarHBondContact O-N 2.86Å; Q528-A532 PolarHBondContact O-N 3.3Å; Q528-A532 VanDerWaalsContact O-N 3.14Å |
| 529 | R | 95 | Very high | 93.6 | Very high | 41 Ų | 41 | 52.4 Ų | 52.4 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 169.6 | 173 | 177.9 | 177.1 | 152 | 1.6 | 111.1 | V512 F513 N515 R525 K526 K531 A532 E533 | V512-R529 HydrophobicContact CG2-CB 4.13Å; F513-R529 WeakPolarHBondContact O-CD 3.25Å; F513-R529 PolarHBondContact O-NH1 2.93Å; N515-R529 PolarHBondContact ND2-NH1 3.26Å; R525-R529 PolarHBondContact O-N 3.31Å; K526-R529 WeakPolarHBondContact O-CB 3.39Å; K526-R529 PolarHBondContact O-N 3.46Å; R529-K531 PolarHBondContact O-N 3.33Å; R529-A532 WeakPolarHBondContact O-CB 3.29Å; R529-A532 PolarHBondContact O-N 2.8Å; R529-E533 WeakPolarHBondContact CG-OE1 3.35Å; R529-E533 IonicContact CZ-OE1 3.72Å; R529-E533 IonicContact NE-OE1 3.57Å; R529-E533 PolarHBondContact NE-OE1 3.06Å; R529-E533 IonicContact NH2-OE1 3.65Å; R529-E533 PolarHBondContact O-N 3.24Å |
| 530 | T | 93.5 | Very high | 93.3 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.7 | -34.6 | 176.4 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | K526 E527 Q528 E533 L534 | K526-T530 PolarHBondContact O-N 3.01Å; K526-T530 VanDerWaalsContact O-N 3.09Å; K526-T530 PolarHBondContact O-OG1 3.29Å; E527-T530 PolarHBondContact O-N 3.42Å; Q528-T530 VanDerWaalsContact C-N 3.34Å; T530-E533 PolarHBondContact O-N 2.91Å; T530-L534 WeakPolarHBondContact O-CB 3.41Å; T530-L534 PolarHBondContact O-N 3.37Å |
| 531 | K | 94.9 | Very high | 92.9 | Very high | 90 Ų | 90 | 53.3 Ų | 53.3 | 39% | 0.391 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 172 | -68.5 | 179.4 | 177.7 | -176.9 | 0 | 112.5 | E489 E527 Q528 R529 L534 D535 | E489-K531 IonicContact OE2-NZ 3.23Å; E489-K531 PolarHBondContact OE2-NZ 3.04Å; E489-K531 VanDerWaalsContact OE2-NZ 3.14Å; E527-K531 PolarHBondContact O-N 3.27Å; Q528-K531 WeakPolarHBondContact O-CB 3.47Å; Q528-K531 PolarHBondContact O-N 2.86Å; R529-K531 PolarHBondContact O-N 3.33Å; K531-L534 PolarHBondContact O-N 3.28Å; K531-D535 VanDerWaalsContact O-CG 3.26Å; K531-D535 PolarHBondContact O-N 3.43Å |
| 532 | A | 93.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | R514 A516 Q528 R529 L534 D535 N536 | R514-A532 HydrophobicContact CG-CB 3.77Å; A516-A532 HydrophobicContact CB-CB 4.44Å; Q528-A532 PolarHBondContact O-N 3.3Å; Q528-A532 VanDerWaalsContact O-N 3.14Å; R529-A532 WeakPolarHBondContact O-CB 3.29Å; R529-A532 PolarHBondContact O-N 2.8Å; A532-L534 VanDerWaalsContact C-N 3.33Å; A532-L534 PolarHBondContact O-N 2.92Å; A532-D535 WeakPolarHBondContact O-CB 3.34Å; A532-D535 PolarHBondContact O-N 3.24Å; A532-N536 PolarHBondContact O-N 3.24Å; A532-N536 PolarHBondContact O-OD1 3.38Å |
| 533 | E | 91.9 | Very high | 92.5 | Very high | 56 Ų | 56 | 48.5 Ų | 48.5 | 26% | 0.262 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 172.7 | -68.5 | 165.9 | 177.4 | 0 | 0 | 111.1 | R529 T530 N536 S537 | R529-E533 WeakPolarHBondContact CG-OE1 3.35Å; R529-E533 IonicContact CZ-OE1 3.72Å; R529-E533 IonicContact NE-OE1 3.57Å; R529-E533 PolarHBondContact NE-OE1 3.06Å; R529-E533 IonicContact NH2-OE1 3.65Å; R529-E533 PolarHBondContact O-N 3.24Å; T530-E533 PolarHBondContact O-N 2.91Å; E533-N536 PolarHBondContact O-N 3.39Å; E533-S537 PolarHBondContact O-N 3.13Å; E533-S537 PolarHBondContact O-OG 3.11Å |
| 534 | L | 92.1 | Very high | 91.9 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 174.1 | -173.8 | 63.9 | 0 | 0 | 0 | 112.4 | T530 K531 A532 N536 S537 L538 | T530-L534 WeakPolarHBondContact O-CB 3.41Å; T530-L534 PolarHBondContact O-N 3.37Å; K531-L534 PolarHBondContact O-N 3.28Å; A532-L534 VanDerWaalsContact C-N 3.33Å; A532-L534 PolarHBondContact O-N 2.92Å; L534-N536 VanDerWaalsContact C-N 3.32Å; L534-N536 PolarHBondContact O-N 2.89Å; L534-S537 WeakPolarHBondContact CA-OG 3.45Å; L534-S537 PolarHBondContact O-N 3.32Å; L534-S537 PolarHBondContact O-OG 2.85Å; L534-L538 HydrophobicContact CD1-CD1 3.76Å; L534-L538 HydrophobicContact CD1-CG 3.97Å; L534-L538 HydrophobicContact CD2-CD1 4.4Å; L534-L538 HydrophobicContact CG-CD1 3.78Å; L534-L538 HydrophobicContact CG-CG 4.33Å; L534-L538 WeakPolarHBondContact O-CB 3.12Å; L534-L538 WeakPolarHBondContact O-CG 3.33Å; L534-L538 PolarHBondContact O-N 3.45Å; L534-L538 VanDerWaalsContact O-N 3.08Å |
| 535 | D | 94.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 175.6 | -74.5 | -34.6 | 0 | 0 | 0 | 111.3 | V480 V482 R486 K531 A532 N539 R542 | V480-D535 HydrophobicContact CG1-CB 4.09Å; V480-D535 WeakPolarHBondContact CG1-O 3.4Å; V482-D535 HydrophobicContact CG1-CB 3.94Å; R486-D535 WeakPolarHBondContact CG-OD2 3.46Å; R486-D535 IonicContact NE-OD2 3.69Å; R486-D535 PolarHBondContact NE-OD2 2.99Å; K531-D535 VanDerWaalsContact O-CG 3.26Å; K531-D535 PolarHBondContact O-N 3.43Å; A532-D535 WeakPolarHBondContact O-CB 3.34Å; A532-D535 PolarHBondContact O-N 3.24Å; D535-N539 PolarHBondContact O-N 3.04Å; D535-R542 IonicContact OD1-CZ 3.12Å; D535-R542 IonicContact OD1-NH1 2.74Å; D535-R542 PolarHBondContact OD1-NH1 3Å; D535-R542 IonicContact OD1-NH2 3.44Å |
| 536 | N | 92.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -54.7 | 175.4 | -75.9 | 11.6 | 0 | 0 | 0 | 112 | S24 A26 R472 A516 A532 E533 L534 L538 N539 | S24-N536 WeakPolarHBondContact O-CB 3.35Å; S24-N536 PolarHBondContact O-ND2 3.34Å; S24-N536 VanDerWaalsContact O-ND2 3.08Å; A26-N536 HydrophobicContact CB-CB 3.79Å; R472-N536 PolarHBondContact NH1-OD1 2.99Å; R472-N536 PolarHBondContact NH2-OD1 3.48Å; A516-N536 PolarHBondContact O-ND2 2.85Å; A532-N536 PolarHBondContact O-N 3.24Å; A532-N536 PolarHBondContact O-OD1 3.38Å; E533-N536 PolarHBondContact O-N 3.39Å; L534-N536 VanDerWaalsContact C-N 3.32Å; L534-N536 PolarHBondContact O-N 2.89Å; N536-L538 PolarHBondContact O-N 3.48Å; N536-N539 WeakPolarHBondContact O-CB 3.44Å; N536-N539 PolarHBondContact O-N 2.81Å |
| 537 | S | 87.8 | Confident | 88.1 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -26.5 | -177 | 61.3 | 0 | 0 | 0 | 0 | 114.5 | E533 L534 | E533-S537 PolarHBondContact O-N 3.13Å; E533-S537 PolarHBondContact O-OG 3.11Å; L534-S537 WeakPolarHBondContact CA-OG 3.45Å; L534-S537 PolarHBondContact O-N 3.32Å; L534-S537 PolarHBondContact O-OG 2.85Å |
| 538 | L | 89.5 | Confident | 86.3 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 16% | 0.157 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.9 | 177.6 | -67.8 | 177.6 | 0 | 0 | 0 | 113.3 | L534 N536 E540 L541 R542 A564 | L534-L538 HydrophobicContact CD1-CD1 3.76Å; L534-L538 HydrophobicContact CD1-CG 3.97Å; L534-L538 HydrophobicContact CD2-CD1 4.4Å; L534-L538 HydrophobicContact CG-CD1 3.78Å; L534-L538 HydrophobicContact CG-CG 4.33Å; L534-L538 WeakPolarHBondContact O-CB 3.12Å; L534-L538 WeakPolarHBondContact O-CG 3.33Å; L534-L538 PolarHBondContact O-N 3.45Å; L534-L538 VanDerWaalsContact O-N 3.08Å; N536-L538 PolarHBondContact O-N 3.48Å; L538-E540 PolarHBondContact O-N 3.12Å; L538-L541 HydrophobicContact CD2-CD1 4.13Å; L538-L541 WeakPolarHBondContact O-CB 3.27Å; L538-L541 PolarHBondContact O-N 3.47Å; L538-L541 VanDerWaalsContact O-N 3.1Å; L538-R542 VanDerWaalsContact CD1-NH2 3.26Å; L538-R542 WeakPolarHBondContact O-CG 3.35Å; L538-R542 PolarHBondContact O-N 2.93Å; L538-A564 HydrophobicContact CD2-CB 4.11Å |
| 539 | N | 90.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.8 | -37.9 | -166.8 | -164.2 | 36.1 | 0 | 0 | 0 | 113.6 | V27 V480 C481 D535 N536 L541 R542 L543 | V27-N539 PolarHBondContact O-ND2 3.48Å; V480-N539 HydrophobicContact CG1-CB 4.22Å; C481-N539 WeakPolarHBondContact CA-OD1 3.41Å; C481-N539 VanDerWaalsContact CB-OD1 3.26Å; C481-N539 WeakPolarHBondContact CB-OD1 3.27Å; C481-N539 PolarHBondContact N-OD1 3.14Å; D535-N539 PolarHBondContact O-N 3.04Å; N536-N539 WeakPolarHBondContact O-CB 3.44Å; N536-N539 PolarHBondContact O-N 2.81Å; N539-L541 PolarHBondContact O-N 3.22Å; N539-L541 VanDerWaalsContact O-N 3.1Å; N539-R542 CarbonylContact O-C 3.6Å; N539-R542 WeakPolarHBondContact O-CA 3.44Å; N539-R542 PolarHBondContact O-N 3.5Å; N539-L543 PolarHBondContact O-N 2.93Å |
| 540 | E | 84.1 | Confident | 82.4 | Confident | 47 Ų | 47 | 39 Ų | 39 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.2 | -33.8 | 175.9 | -58.8 | -176.1 | 171.6 | 0 | 0 | 112.5 | L538 R542 F546 N558 | L538-E540 PolarHBondContact O-N 3.12Å; E540-R542 VanDerWaalsContact C-N 3.34Å; E540-F546 HydrophobicContact CB-CD1 3.8Å; E540-F546 HydrophobicContact CB-CD2 4.11Å; E540-F546 HydrophobicContact CB-CE1 3.85Å; E540-F546 HydrophobicContact CB-CE2 4.18Å; E540-F546 HydrophobicContact CB-CG 3.92Å; E540-F546 HydrophobicContact CB-CZ 4.05Å; E540-F546 HydrophobicContact CG-CD1 4.18Å; E540-F546 HydrophobicContact CG-CD2 4Å; E540-F546 HydrophobicContact CG-CE1 3.78Å; E540-F546 HydrophobicContact CG-CE2 3.61Å; E540-F546 HydrophobicContact CG-CG 4.27Å; E540-F546 HydrophobicContact CG-CZ 3.47Å; E540-F546 VanDerWaalsContact CG-CZ 3.47Å; E540-F546 WeakPolarHBondContact O-CB 3.44Å; E540-F546 WeakPolarHBondContact OE1-CZ 3.49Å; E540-N558 WeakPolarHBondContact OE2-CB 3.48Å |
| 541 | L | 84.8 | Confident | 80.4 | Confident | 42 Ų | 42 | 37 Ų | 37 | 22% | 0.22 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -78.9 | -19 | 177.5 | -66.8 | 176.1 | 0 | 0 | 0 | 113.3 | K466 L538 N539 V561 | K466-L541 VanDerWaalsContact CD-O 3.3Å; K466-L541 WeakPolarHBondContact CD-O 3.48Å; K466-L541 WeakPolarHBondContact CE-O 3.44Å; K466-L541 PolarHBondContact NZ-O 3.38Å; L538-L541 HydrophobicContact CD2-CD1 4.13Å; L538-L541 WeakPolarHBondContact O-CB 3.27Å; L538-L541 PolarHBondContact O-N 3.47Å; L538-L541 VanDerWaalsContact O-N 3.1Å; N539-L541 PolarHBondContact O-N 3.22Å; N539-L541 VanDerWaalsContact O-N 3.1Å; L541-V561 HydrophobicContact CD1-CB 4.34Å; L541-V561 HydrophobicContact CD1-CG1 3.93Å; L541-V561 HydrophobicContact CD1-CG2 3.93Å; L541-V561 HydrophobicContact CD2-CG1 3.64Å; L541-V561 HydrophobicContact CD2-CG2 4.41Å; L541-V561 HydrophobicContact CG-CG1 3.96Å; L541-V561 HydrophobicContact CG-CG2 3.87Å |
| 542 | R | 91.6 | Very high | 78.2 | Confident | 28 Ų | 28 | 33.9 Ų | 33.9 | 11% | 0.106 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -104.2 | -23.4 | -173.6 | -63.2 | 175.6 | 178.6 | 174.8 | 0.1 | 112.3 | K466 Y469 C481 D535 L538 N539 E540 | K466-R542 WeakPolarHBondContact CB-O 3.44Å; K466-R542 WeakPolarHBondContact CG-O 3.17Å; K466-R542 PolarHBondContact N-O 3.21Å; Y469-R542 HydrophobicContact CD1-CB 4.17Å; Y469-R542 HydrophobicContact CD1-CG 3.98Å; Y469-R542 HydrophobicContact CE1-CB 4.33Å; Y469-R542 VanDerWaalsContact CE1-CD 3.43Å; Y469-R542 HydrophobicContact CE1-CG 3.64Å; Y469-R542 HydrophobicContact CE2-CG 4.45Å; Y469-R542 HydrophobicContact CG-CB 4.37Å; C481-R542 HydrophobicContact CB-CB 3.52Å; C481-R542 WeakPolarHBondContact O-CD 3.47Å; C481-R542 PolarHBondContact O-NH1 2.89Å; D535-R542 IonicContact OD1-CZ 3.12Å; D535-R542 IonicContact OD1-NH1 2.74Å; D535-R542 PolarHBondContact OD1-NH1 3Å; D535-R542 IonicContact OD1-NH2 3.44Å; L538-R542 VanDerWaalsContact CD1-NH2 3.26Å; L538-R542 WeakPolarHBondContact O-CG 3.35Å; L538-R542 PolarHBondContact O-N 2.93Å; N539-R542 CarbonylContact O-C 3.6Å; N539-R542 WeakPolarHBondContact O-CA 3.44Å; N539-R542 PolarHBondContact O-N 3.5Å; E540-R542 VanDerWaalsContact C-N 3.34Å |
| 543 | L | 88.5 | Confident | 75.7 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -63.4 | 134.7 | 164.6 | -75.7 | 169.7 | 0 | 0 | 0 | 109.6 | V27 N463 K466 N539 Y545 F546 | V27-L543 HydrophobicContact CB-CD1 4.44Å; V27-L543 HydrophobicContact CG1-CD1 4.17Å; N463-L543 HydrophobicContact CB-CD2 4.41Å; K466-L543 VanDerWaalsContact CE-O 3.27Å; K466-L543 WeakPolarHBondContact CE-O 3.24Å; N539-L543 PolarHBondContact O-N 2.93Å; L543-Y545 PolarHBondContact O-N 2.87Å; L543-F546 HydrophobicContact CB-CB 4.09Å; L543-F546 HydrophobicContact CD1-CD2 4.14Å |
| 544 | R | 84.7 | Confident | 73.5 | Confident | 111 Ų | 111 | 45.2 Ų | 45.2 | 42% | 0.419 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -30 | -178.9 | -174.2 | 174.9 | 172.9 | -177.3 | -11.6 | 111.6 | M464 K466 | M464-R544 HydrophobicContact CE-CG 4.49Å; M464-R544 VanDerWaalsContact O-CB 3.27Å; M464-R544 WeakPolarHBondContact O-CB 3.35Å; M464-R544 PolarHBondContact O-N 3.41Å; K466-R544 HydrophobicContact CG-CB 4.13Å |
| 545 | Y | 76.1 | Confident | 71.1 | Confident | 30 Ų | 30 | 43 Ų | 43 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.3 | 43.1 | -167.8 | -50.3 | -78.6 | 0 | 0 | 0 | 111.2 | D282 Q284 M464 L543 K547 F548 | D282-Y545 PolarHBondContact OD1-OH 3.36Å; Q284-Y545 HydrophobicContact CB-CE2 4.28Å; Q284-Y545 HydrophobicContact CG-CD2 3.73Å; Q284-Y545 HydrophobicContact CG-CE1 4.33Å; Q284-Y545 HydrophobicContact CG-CE2 3.42Å; Q284-Y545 VanDerWaalsContact CG-CE2 3.42Å; Q284-Y545 HydrophobicContact CG-CG 4.24Å; Q284-Y545 VanDerWaalsContact OE1-CE1 3.24Å; M464-Y545 HydrophobicContact CB-CD2 4.46Å; M464-Y545 HydrophobicContact CB-CE2 4.31Å; M464-Y545 HydrophobicContact CE-CE2 3.57Å; L543-Y545 PolarHBondContact O-N 2.87Å; Y545-K547 PolarHBondContact O-N 2.97Å; Y545-K547 VanDerWaalsContact O-N 3.12Å; Y545-F548 WeakPolarHBondContact O-CB 3.45Å; Y545-F548 PolarHBondContact O-N 3.49Å |
| 546 | F | 69.2 | Low | 68.9 | Low | 24 Ų | 24 | 48.2 Ų | 48.2 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -30.5 | -179.9 | 175 | -113.5 | 0 | 0 | 0 | 113.7 | V27 Y234 E540 L543 F548 M555 | V27-F546 HydrophobicContact CB-CD2 4.15Å; V27-F546 HydrophobicContact CB-CE2 3.7Å; V27-F546 HydrophobicContact CG1-CD2 4.12Å; V27-F546 HydrophobicContact CG1-CE2 3.95Å; V27-F546 HydrophobicContact CG2-CD2 4.42Å; V27-F546 HydrophobicContact CG2-CE2 3.5Å; V27-F546 HydrophobicContact CG2-CZ 4.28Å; Y234-F546 PolarHBondContact OH-O 3.07Å; E540-F546 HydrophobicContact CB-CD1 3.8Å; E540-F546 HydrophobicContact CB-CD2 4.11Å; E540-F546 HydrophobicContact CB-CE1 3.85Å; E540-F546 HydrophobicContact CB-CE2 4.18Å; E540-F546 HydrophobicContact CB-CG 3.92Å; E540-F546 HydrophobicContact CB-CZ 4.05Å; E540-F546 HydrophobicContact CG-CD1 4.18Å; E540-F546 HydrophobicContact CG-CD2 4Å; E540-F546 HydrophobicContact CG-CE1 3.78Å; E540-F546 HydrophobicContact CG-CE2 3.61Å; E540-F546 HydrophobicContact CG-CG 4.27Å; E540-F546 HydrophobicContact CG-CZ 3.47Å; E540-F546 VanDerWaalsContact CG-CZ 3.47Å; E540-F546 WeakPolarHBondContact O-CB 3.44Å; E540-F546 WeakPolarHBondContact OE1-CZ 3.49Å; L543-F546 HydrophobicContact CB-CB 4.09Å; L543-F546 HydrophobicContact CD1-CD2 4.14Å; F546-F548 PolarHBondContact O-N 3.33Å; F546-M555 HydrophobicContact CD1-CE 4.14Å; F546-M555 HydrophobicContact CD1-SD 4.09Å; F546-M555 HydrophobicContact CE1-CE 3.59Å; F546-M555 HydrophobicContact CE1-SD 3.6Å; F546-M555 HydrophobicContact CE2-CE 4.48Å; F546-M555 HydrophobicContact CZ-CE 3.78Å; F546-M555 HydrophobicContact CZ-SD 4.34Å |
| 547 | K | 64.1 | Low | 66.8 | Low | 147 Ų | 147 | 52.1 Ų | 52.1 | 64% | 0.639 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 17.2 | -178.8 | -59.4 | -172.7 | 172.9 | -167.6 | 0 | 114.2 | F317 Y545 N550 M555 | F317-K547 WeakPolarHBondContact CD1-O 3.16Å; Y545-K547 PolarHBondContact O-N 2.97Å; Y545-K547 VanDerWaalsContact O-N 3.12Å; K547-N550 PolarHBondContact O-OD1 3.2Å; K547-M555 HydrophobicContact CG-SD 4.11Å |
| 548 | F | 58 | Low | 65 | Low | 3 Ų | 3 | 53.2 Ų | 53.2 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -51.8 | -154.2 | 172.6 | -97.2 | 0 | 0 | 0 | 115.3 | Y234 Q284 I311 Y318 L462 Y545 F546 | Y234-F548 HydrophobicContact CD2-CB 4.22Å; Y234-F548 AromaticContact CD2-CD1 3.72Å; Y234-F548 HydrophobicContact CD2-CD1 3.72Å; Y234-F548 HydrophobicContact CD2-CG 4.37Å; Y234-F548 HydrophobicContact CE2-CB 3.86Å; Y234-F548 HydrophobicContact CE2-CD1 4.13Å; Y234-F548 HydrophobicContact CE2-CG 4.47Å; Y234-F548 HydrophobicContact CG-CD1 4.36Å; Q284-F548 HydrophobicContact CB-CE2 4.29Å; Q284-F548 HydrophobicContact CG-CE2 3.95Å; I311-F548 HydrophobicContact CG2-CE2 4.12Å; I311-F548 HydrophobicContact CG2-CZ 3.6Å; Y318-F548 VanDerWaalsContact CB-CD2 3.49Å; Y318-F548 HydrophobicContact CD1-CD2 4.23Å; Y318-F548 AromaticContact CD1-CE2 3.52Å; Y318-F548 HydrophobicContact CD1-CE2 3.52Å; Y318-F548 HydrophobicContact CD1-CZ 4.2Å; Y318-F548 AromaticContact CD2-CD2 3.13Å; Y318-F548 HydrophobicContact CD2-CD2 3.13Å; Y318-F548 AromaticContact CD2-CE2 3.32Å; Y318-F548 HydrophobicContact CD2-CE2 3.32Å; Y318-F548 HydrophobicContact CD2-CG 4.11Å; Y318-F548 HydrophobicContact CD2-CZ 4.36Å; Y318-F548 HydrophobicContact CE1-CE2 4.16Å; Y318-F548 AromaticContact CE2-CD2 3.8Å; Y318-F548 HydrophobicContact CE2-CD2 3.8Å; Y318-F548 HydrophobicContact CE2-CE2 4.01Å; Y318-F548 AromaticContact CG-CD2 3.38Å; Y318-F548 HydrophobicContact CG-CD2 3.38Å; Y318-F548 AromaticContact CG-CE2 3.02Å; Y318-F548 HydrophobicContact CG-CE2 3.02Å; Y318-F548 HydrophobicContact CG-CG 4.36Å; Y318-F548 AromaticContact CG-CZ 3.74Å; Y318-F548 HydrophobicContact CG-CZ 3.74Å; Y318-F548 PolarHBondContact N-O 3.15Å; L462-F548 HydrophobicContact CB-CE1 4.26Å; L462-F548 HydrophobicContact CD1-CE1 3.64Å; L462-F548 HydrophobicContact CD1-CZ 4.09Å; L462-F548 HydrophobicContact CD2-CD1 4.4Å; L462-F548 HydrophobicContact CD2-CE1 3.47Å; L462-F548 VanDerWaalsContact CD2-CE1 3.47Å; L462-F548 HydrophobicContact CD2-CE2 3.7Å; L462-F548 HydrophobicContact CD2-CZ 3.09Å; L462-F548 HydrophobicContact CG-CE1 3.96Å; L462-F548 HydrophobicContact CG-CZ 4.08Å; Y545-F548 WeakPolarHBondContact O-CB 3.45Å; Y545-F548 PolarHBondContact O-N 3.49Å; F546-F548 PolarHBondContact O-N 3.33Å |
| 549 | F | 55.9 | Low | 63.2 | Low | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 16.7 | -179.7 | -80.9 | -63.9 | 0 | 0 | 0 | 113.7 | H180 I181 G182 P230 H231 Y234 Y318 L462 G551 | H180-F549 CarbonylContact C-O 3.55Å; H180-F549 CarbonylContact O-C 3.43Å; H180-F549 WeakPolarHBondContact O-CA 3.36Å; H180-F549 WeakPolarHBondContact O-CB 3.05Å; I181-F549 CarbonylContact C-O 3.5Å; I181-F549 WeakPolarHBondContact CA-O 3.41Å; I181-F549 HydrophobicContact CB-CB 4.48Å; I181-F549 HydrophobicContact CG1-CB 4.18Å; G182-F549 PolarHBondContact N-O 3Å; P230-F549 HydrophobicContact CB-CZ 4.04Å; H231-F549 AromaticContact CD2-CE1 3.78Å; H231-F549 AromaticContact CD2-CE2 3.68Å; H231-F549 AromaticContact CD2-CZ 3.53Å; H231-F549 AromaticContact NE2-CE1 3.83Å; Y234-F549 VanDerWaalsContact CB-CE2 3.49Å; Y234-F549 HydrophobicContact CD1-CB 4.48Å; Y234-F549 AromaticContact CD1-CD2 3.58Å; Y234-F549 HydrophobicContact CD1-CD2 3.58Å; Y234-F549 HydrophobicContact CD1-CE2 4.34Å; Y234-F549 AromaticContact CD2-CD2 3.88Å; Y234-F549 HydrophobicContact CD2-CD2 3.88Å; Y234-F549 HydrophobicContact CD2-CE2 4.5Å; Y234-F549 HydrophobicContact CE1-CB 4.24Å; Y234-F549 HydrophobicContact CE1-CD2 4.14Å; Y234-F549 HydrophobicContact CE2-CD2 4.44Å; Y234-F549 AromaticContact CG-CD2 3.4Å; Y234-F549 HydrophobicContact CG-CD2 3.4Å; Y234-F549 AromaticContact CG-CE2 3.9Å; Y234-F549 HydrophobicContact CG-CE2 3.9Å; Y318-F549 WeakPolarHBondContact O-CD1 3.44Å; L462-F549 HydrophobicContact CD1-CE2 3.78Å; L462-F549 HydrophobicContact CD1-CZ 4.12Å; F549-G551 VanDerWaalsContact C-N 3.31Å; F549-G551 PolarHBondContact O-N 3.04Å |
| 550 | N | 52.8 | Low | 61.3 | Low | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | trans | -64.8 | 91.4 | -175.3 | -58.6 | 4 | 0 | 0 | 0 | 110 | H180 F317 K547 V552 M555 | H180-N550 HydrophobicContact CB-CB 4.33Å; H180-N550 WeakPolarHBondContact CB-OD1 3.34Å; H180-N550 PolarHBondContact O-N 3.3Å; F317-N550 HydrophobicContact CD1-CB 3.74Å; F317-N550 WeakPolarHBondContact CD1-O 3.48Å; F317-N550 HydrophobicContact CE1-CB 3.59Å; F317-N550 VanDerWaalsContact CE1-O 3.3Å; F317-N550 WeakPolarHBondContact CE1-O 3.25Å; F317-N550 WeakPolarHBondContact CG-O 3.04Å; K547-N550 PolarHBondContact O-OD1 3.2Å; N550-V552 PolarHBondContact O-N 3.08Å; N550-M555 VanDerWaalsContact CG-CE 3.4Å; N550-M555 WeakPolarHBondContact ND2-CE 3.41Å; N550-M555 WeakPolarHBondContact ND2-CG 3.34Å; N550-M555 PolarHBondContact ND2-SD 2.74Å; N550-M555 WeakPolarHBondContact OD1-CE 3.48Å | ||
| 551 | G | 51.6 | Low | 59.7 | Low | 44 Ų | 44 | 60.1 Ų | 60.1 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | trans | -65.7 | 22.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F549 | F549-G551 VanDerWaalsContact C-N 3.31Å; F549-G551 PolarHBondContact O-N 3.04Å | ||
| 552 | V | 48.7 | Very low | 57.9 | Low | 24 Ų | 24 | 62.4 Ų | 62.4 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -123.6 | 120 | -172.5 | -168.2 | 0 | 0 | 0 | 0 | 107.2 | P155 N550 E554 | P155-V552 HydrophobicContact CG-CG1 3.42Å; P155-V552 VanDerWaalsContact CG-CG1 3.42Å; N550-V552 PolarHBondContact O-N 3.08Å; V552-E554 WeakPolarHBondContact CG1-O 3.3Å; V552-E554 PolarHBondContact O-N 3.48Å |
| 553 | D | 41.5 | Very low | 55.8 | Low | 153 Ų | 153 | 66.3 Ų | 66.3 | 82% | 0.818 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -59.1 | -29 | -177.6 | -65.1 | -38.8 | 0 | 0 | 0 | 112.7 | ||
| 554 | E | 44.7 | Very low | 54 | Low | 142 Ų | 142 | 67.4 Ų | 67.4 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | trans | -140.8 | 127.1 | -177.1 | -64.5 | -175.5 | 169.3 | 0 | 0 | 112.7 | V552 | V552-E554 WeakPolarHBondContact CG1-O 3.3Å; V552-E554 PolarHBondContact O-N 3.48Å | ||
| 555 | M | 42 | Very low | 52.2 | Low | 42 Ų | 42 | 68.8 Ų | 68.8 | 21% | 0.207 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 130.5 | 164.7 | -82.4 | 175.9 | 157.9 | 0 | 0 | 109.3 | H180 F546 K547 N550 | H180-M555 HydrophobicContact CB-CE 3.93Å; H180-M555 WeakPolarHBondContact CD2-CE 3.38Å; F546-M555 HydrophobicContact CD1-CE 4.14Å; F546-M555 HydrophobicContact CD1-SD 4.09Å; F546-M555 HydrophobicContact CE1-CE 3.59Å; F546-M555 HydrophobicContact CE1-SD 3.6Å; F546-M555 HydrophobicContact CE2-CE 4.48Å; F546-M555 HydrophobicContact CZ-CE 3.78Å; F546-M555 HydrophobicContact CZ-SD 4.34Å; K547-M555 HydrophobicContact CG-SD 4.11Å; N550-M555 VanDerWaalsContact CG-CE 3.4Å; N550-M555 WeakPolarHBondContact ND2-CE 3.41Å; N550-M555 WeakPolarHBondContact ND2-CG 3.34Å; N550-M555 PolarHBondContact ND2-SD 2.74Å; N550-M555 WeakPolarHBondContact OD1-CE 3.48Å |
| 556 | T | 49.1 | Very low | 50.7 | Low | 118 Ų | 118 | 70.7 Ų | 70.7 | 72% | 0.724 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 125.2 | 163.7 | 33.4 | 0 | 0 | 0 | 0 | 109 | N558 | T556-N558 PolarHBondContact O-N 3.23Š|
| 557 | P | 47 | Very low | 49.7 | Very low | 86 Ų | 86 | 74.4 Ų | 74.4 | 56% | 0.558 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 136.8 | 179.4 | -17.2 | 28.2 | 0 | 0 | 0 | 110.6 | L559 L562 | P557-L559 PolarHBondContact O-N 2.69Å; P557-L562 HydrophobicContact CB-CD1 3.81Å; P557-L562 HydrophobicContact CB-CG 4.1Å; P557-L562 HydrophobicContact CG-CD1 4.35Å |
| 558 | N | 51.1 | Low | 48.9 | Very low | 37 Ų | 37 | 70.9 Ų | 70.9 | 20% | 0.198 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 123.4 | 166.9 | -176.9 | -28.2 | 0 | 0 | 0 | 109.2 | E540 T556 N560 V561 L562 | E540-N558 WeakPolarHBondContact OE2-CB 3.48Å; T556-N558 PolarHBondContact O-N 3.23Å; N558-N560 PolarHBondContact O-N 3.44Å; N558-N560 WeakPolarHBondContact OD1-CB 3.27Å; N558-N560 PolarHBondContact OD1-N 3.38Å; N558-V561 HydrophobicContact CB-CB 4.05Å; N558-V561 HydrophobicContact CB-CG2 3.81Å; N558-V561 WeakPolarHBondContact O-CA 3.45Å; N558-V561 VanDerWaalsContact O-CB 3.23Å; N558-V561 WeakPolarHBondContact O-CB 3.25Å; N558-V561 PolarHBondContact O-N 2.98Å; N558-L562 PolarHBondContact O-N 2.8Å; N558-L562 VanDerWaalsContact O-N 3.08Å |
| 559 | L | 51.5 | Low | 48 | Very low | 123 Ų | 123 | 74 Ų | 74 | 64% | 0.644 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.6 | -31.2 | -174.7 | -146.7 | 81.6 | 0 | 0 | 0 | 111.9 | P557 V561 L562 L563 | P557-L559 PolarHBondContact O-N 2.69Å; L559-V561 VanDerWaalsContact C-N 3.28Å; L559-V561 PolarHBondContact O-N 2.76Å; L559-L562 HydrophobicContact CD1-CD1 4.04Å; L559-L562 WeakPolarHBondContact O-CB 3.48Å; L559-L562 PolarHBondContact O-N 3.35Å; L559-L563 WeakPolarHBondContact O-CG 3.48Å; L559-L563 PolarHBondContact O-N 2.81Å |
| 560 | N | 50.1 | Low | 46.9 | Very low | 88 Ų | 88 | 82.9 Ų | 82.9 | 47% | 0.471 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67 | -31.9 | 173.6 | -68 | -29.4 | 0 | 0 | 0 | 111.6 | N558 A564 | N558-N560 PolarHBondContact O-N 3.44Å; N558-N560 WeakPolarHBondContact OD1-CB 3.27Å; N558-N560 PolarHBondContact OD1-N 3.38Å; N560-A564 WeakPolarHBondContact O-CB 3.31Å; N560-A564 PolarHBondContact O-N 2.84Å |
| 561 | V | 51 | Low | 46 | Very low | 10 Ų | 10 | 88.8 Ų | 88.8 | 6% | 0.061 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -67.9 | -40 | 172.1 | 164.8 | 0 | 0 | 0 | 0 | 111.2 | L541 N558 L559 R565 | L541-V561 HydrophobicContact CD1-CB 4.34Å; L541-V561 HydrophobicContact CD1-CG1 3.93Å; L541-V561 HydrophobicContact CD1-CG2 3.93Å; L541-V561 HydrophobicContact CD2-CG1 3.64Å; L541-V561 HydrophobicContact CD2-CG2 4.41Å; L541-V561 HydrophobicContact CG-CG1 3.96Å; L541-V561 HydrophobicContact CG-CG2 3.87Å; N558-V561 HydrophobicContact CB-CB 4.05Å; N558-V561 HydrophobicContact CB-CG2 3.81Å; N558-V561 WeakPolarHBondContact O-CA 3.45Å; N558-V561 VanDerWaalsContact O-CB 3.23Å; N558-V561 WeakPolarHBondContact O-CB 3.25Å; N558-V561 PolarHBondContact O-N 2.98Å; L559-V561 VanDerWaalsContact C-N 3.28Å; L559-V561 PolarHBondContact O-N 2.76Å; V561-R565 WeakPolarHBondContact O-CB 3.15Å; V561-R565 VanDerWaalsContact O-CG 3.3Å; V561-R565 WeakPolarHBondContact O-CG 3.29Å; V561-R565 PolarHBondContact O-N 3.48Å |
| 562 | L | 47.1 | Very low | 44.9 | Very low | 91 Ų | 91 | 93.3 Ų | 93.3 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 173.8 | -83.6 | 159 | 0 | 0 | 0 | 111.3 | P557 N558 L559 R565 A566 | P557-L562 HydrophobicContact CB-CD1 3.81Å; P557-L562 HydrophobicContact CB-CG 4.1Å; P557-L562 HydrophobicContact CG-CD1 4.35Å; N558-L562 PolarHBondContact O-N 2.8Å; N558-L562 VanDerWaalsContact O-N 3.08Å; L559-L562 HydrophobicContact CD1-CD1 4.04Å; L559-L562 WeakPolarHBondContact O-CB 3.48Å; L559-L562 PolarHBondContact O-N 3.35Å; L562-R565 PolarHBondContact O-N 3.36Å; L562-A566 PolarHBondContact O-N 2.93Å |
| 563 | L | 47.5 | Very low | 44.1 | Very low | 109 Ų | 109 | 96.9 Ų | 96.9 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.8 | -43.3 | 178.8 | -68.9 | 169.4 | 0 | 0 | 0 | 112.4 | L559 R565 A566 S567 | L559-L563 WeakPolarHBondContact O-CG 3.48Å; L559-L563 PolarHBondContact O-N 2.81Å; L563-R565 VanDerWaalsContact C-N 3.33Å; L563-R565 PolarHBondContact O-N 2.92Å; L563-A566 PolarHBondContact O-N 3.3Å; L563-S567 PolarHBondContact O-N 3.15Å; L563-S567 PolarHBondContact O-OG 3.32Å |
| 564 | A | 51.1 | Low | 43.4 | Very low | 30 Ų | 30 | 96.1 Ų | 96.1 | 25% | 0.248 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L538 N560 S567 S568 | L538-A564 HydrophobicContact CD2-CB 4.11Å; N560-A564 WeakPolarHBondContact O-CB 3.31Å; N560-A564 PolarHBondContact O-N 2.84Å; A564-S567 PolarHBondContact O-N 2.79Å; A564-S567 PolarHBondContact O-OG 2.65Å; A564-S568 PolarHBondContact O-N 3.14Å; A564-S568 VanDerWaalsContact O-N 3.11Å |
| 565 | R | 45.4 | Very low | 42.6 | Very low | 140 Ų | 140 | 96 Ų | 96 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 174.6 | -76.5 | 179.4 | -177.2 | -172.2 | 3.6 | 111.9 | V561 L562 L563 S567 S568 | V561-R565 WeakPolarHBondContact O-CB 3.15Å; V561-R565 VanDerWaalsContact O-CG 3.3Å; V561-R565 WeakPolarHBondContact O-CG 3.29Å; V561-R565 PolarHBondContact O-N 3.48Å; L562-R565 PolarHBondContact O-N 3.36Å; L563-R565 VanDerWaalsContact C-N 3.33Å; L563-R565 PolarHBondContact O-N 2.92Å; R565-S567 VanDerWaalsContact C-N 3.33Å; R565-S567 PolarHBondContact O-N 3.4Å; R565-S568 PolarHBondContact O-N 2.97Å; R565-S568 PolarHBondContact O-OG 2.99Å |
| 566 | A | 45.9 | Very low | 42 | Very low | 69 Ų | 69 | 99.4 Ų | 99.4 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.5 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L562 L563 S568 G569 | L562-A566 PolarHBondContact O-N 2.93Å; L563-A566 PolarHBondContact O-N 3.3Å; A566-S568 VanDerWaalsContact C-N 3.29Å; A566-S568 PolarHBondContact O-N 2.05Å; A566-G569 PolarHBondContact O-N 2.88Å |
| 567 | S | 48.1 | Very low | 40.9 | Very low | 103 Ų | 103 | 104 Ų | 104 | 72% | 0.72 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.6 | -26.4 | 177.7 | 72.1 | 0 | 0 | 0 | 0 | 113.9 | L563 A564 R565 G569 | L563-S567 PolarHBondContact O-N 3.15Å; L563-S567 PolarHBondContact O-OG 3.32Å; A564-S567 PolarHBondContact O-N 2.79Å; A564-S567 PolarHBondContact O-OG 2.65Å; R565-S567 VanDerWaalsContact C-N 3.33Å; R565-S567 PolarHBondContact O-N 3.4Å; S567-G569 VanDerWaalsContact C-N 3.25Å; S567-G569 PolarHBondContact O-N 3.33Å |
| 568 | S | 47.7 | Very low | 39.9 | Very low | 73 Ų | 73 | 107.2 Ų | 107.2 | 51% | 0.51 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | -1.5 | -178.9 | 73.3 | 0 | 0 | 0 | 0 | 114.3 | A564 R565 A566 R570 | A564-S568 PolarHBondContact O-N 3.14Å; A564-S568 VanDerWaalsContact O-N 3.11Å; R565-S568 PolarHBondContact O-N 2.97Å; R565-S568 PolarHBondContact O-OG 2.99Å; A566-S568 VanDerWaalsContact C-N 3.29Å; A566-S568 PolarHBondContact O-N 2.05Å; S568-R570 PolarHBondContact O-N 2.77Å |
| 569 | G | 37.7 | Very low | 38.7 | Very low | 69 Ų | 69 | 113.5 Ų | 113.5 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.8 | 2.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A566 S567 V571 | A566-G569 PolarHBondContact O-N 2.88Å; S567-G569 VanDerWaalsContact C-N 3.25Å; S567-G569 PolarHBondContact O-N 3.33Å; G569-V571 PolarHBondContact O-N 3.49Å |
| 570 | R | 33.9 | Very low | 37.5 | Very low | 187 Ų | 187 | 113.5 Ų | 113.5 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | trans | -101 | 69.2 | -177 | -153.9 | -176.4 | -80.7 | -162.9 | -3.4 | 109 | S568 E572 | S568-R570 PolarHBondContact O-N 2.77Å; R570-E572 HydrophobicContact CG-CG 4.35Å; R570-E572 PolarHBondContact O-N 3.01Å | ||
| 571 | V | 32.7 | Very low | 36.5 | Very low | 126 Ų | 126 | 112.8 Ų | 112.8 | 76% | 0.764 | 63% | 0.631 | S | S | * | * | trans | -75.2 | 74 | 162.2 | -174 | 0 | 0 | 0 | 0 | 106.6 | G569 S573 | G569-V571 PolarHBondContact O-N 3.49Å; V571-S573 PolarHBondContact O-N 3.15Å; V571-S573 VanDerWaalsContact O-N 3.15Å | ||
| 572 | E | 30.2 | Very low | 35.3 | Very low | 140 Ų | 140 | 116.6 Ų | 116.6 | 65% | 0.654 | 66% | 0.664 | S | S | * | * | trans | -65.9 | 112.6 | 157.4 | -86.8 | 176.6 | -168.4 | 0 | 0 | 105.7 | R570 L574 | R570-E572 HydrophobicContact CG-CG 4.35Å; R570-E572 PolarHBondContact O-N 3.01Å; E572-L574 PolarHBondContact O-N 3.01Å | ||
| 573 | S | 30.1 | Very low | 34.1 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | trans | -55.5 | 86.5 | 176.4 | 56.1 | 0 | 0 | 0 | 0 | 110.3 | V571 L575 | V571-S573 PolarHBondContact O-N 3.15Å; V571-S573 VanDerWaalsContact O-N 3.15Å; S573-L575 VanDerWaalsContact C-N 3.32Å | ||
| 574 | L | 28.4 | Very low | 33.3 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | trans | -105.1 | 61.5 | 156.6 | -67.1 | 172 | 0 | 0 | 0 | 106.2 | E572 | E572-L574 PolarHBondContact O-N 3.01Š| ||
| 575 | L | 26.7 | Very low | 32.4 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | -52.7 | 124 | 146.2 | -83.1 | 161.9 | 0 | 0 | 0 | 104.6 | S573 W577 | S573-L575 VanDerWaalsContact C-N 3.32Å; L575-W577 PolarHBondContact O-N 2.84Å | ||
| 576 | P | 30.2 | Very low | 31.7 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | trans | -55.1 | 111.4 | 178.1 | 20.9 | -28.2 | 0 | 0 | 0 | 105.7 | Q578 | P576-Q578 VanDerWaalsContact C-N 3.32Å; P576-Q578 PolarHBondContact O-N 3.32Å | ||
| 577 | W | 25.4 | Very low | 30.9 | Very low | 215 Ų | 215 | 135.6 Ų | 135.6 | 81% | 0.814 | 76% | 0.761 | S | S | * | * | trans | -54 | 107.8 | 176.3 | -83.3 | 77.1 | 0 | 0 | 0 | 106 | L575 M579 | L575-W577 PolarHBondContact O-N 2.84Å; W577-M579 PolarHBondContact O-N 2.97Å | ||
| 578 | Q | 26.9 | Very low | 29.9 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | trans | 3.3 | 100.8 | 165.3 | -70.9 | 169.8 | -49.9 | 0 | 0 | 112.6 | P576 T580 | P576-Q578 VanDerWaalsContact C-N 3.32Å; P576-Q578 PolarHBondContact O-N 3.32Å; Q578-T580 HydrophobicContact CB-CG2 4.24Å; Q578-T580 PolarHBondContact O-N 2.91Å | ||
| 579 | M | 25.3 | Very low | 28.8 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | trans | -64.5 | 70.4 | 154.9 | -66.4 | -174.9 | 79.8 | 0 | 0 | 108.3 | W577 | W577-M579 PolarHBondContact O-N 2.97Š| ||
| 580 | T | 25.6 | Very low | 28.2 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -102.4 | 88 | 160.5 | 52 | 0 | 0 | 0 | 0 | 106 | Q578 | Q578-T580 HydrophobicContact CB-CG2 4.24Å; Q578-T580 PolarHBondContact O-N 2.91Å | ||
| 581 | G | 29.1 | Very low | 27.8 | Very low | 73 Ų | 73 | 143.4 Ų | 143.4 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -154.6 | 79.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 582 | A | 26 | Very low | 27.4 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | -63.6 | 143.9 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T584 | A582-T584 PolarHBondContact O-N 3.14Š| ||
| 583 | Y | 22.8 | Very low | 27.2 | Very low | 223 Ų | 223 | 145.2 Ų | 145.2 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -21.2 | 112.8 | 142.4 | -72.7 | -94.3 | 0 | 0 | 0 | 113.6 | ||||
| 584 | T | 29.5 | Very low | 26.9 | Very low | 208 Ų | 208 | 149.5 Ų | 149.5 | 100% | 1.276 | 81% | 0.813 | S | S | * | * | trans | -149.5 | 0 | 137.6 | 53.9 | 0 | 0 | 0 | 0 | 106.2 | A582 | A582-T584 PolarHBondContact O-N 3.14Š|
Retrieved 584 of 584 residues in 561.8 ms
(Link to these results)